Complet list of 2ezx con file
Complete list of 2ezx.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 343
C A 0001 MET CA 3.793 C A 0002 THR CA
C A 0001 MET C 2.416 C A 0002 THR CA
C A 0001 MET C 3.163 C A 0002 THR C
C A 0001 MET C 3.642 C A 0002 THR CB
C A 0002 THR C 2.404 C A 0003 THR CA
C A 0002 THR C 2.888 C A 0003 THR C
C A 0002 THR C 3.687 C A 0003 THR CB
C A 0003 THR C 2.404 C A 0004 SER CA
C A 0003 THR C 2.919 C A 0004 SER C
C A 0003 THR C 3.686 C A 0004 SER CB
C A 0003 THR CB 3.613 H A 0007 HIS CB
C A 0004 SER C 2.435 H A 0005 GLN CA
C A 0004 SER C 2.969 H A 0005 GLN C
C A 0004 SER C 3.694 H A 0005 GLN CB
H A 0005 GLN C 2.417 H A 0006 LYS CA
H A 0005 GLN C 2.982 H A 0006 LYS C
H A 0005 GLN C 3.679 H A 0006 LYS CB
H A 0006 LYS C 2.409 H A 0007 HIS CA
H A 0006 LYS C 2.914 H A 0007 HIS C
H A 0006 LYS C 3.687 H A 0007 HIS CB
H A 0007 HIS C 2.431 H A 0008 ARG CA
H A 0007 HIS C 3.077 H A 0008 ARG C
H A 0007 HIS C 3.695 H A 0008 ARG CB
H A 0008 ARG C 2.403 H A 0009 ASP CA
H A 0008 ARG C 3.017 H A 0009 ASP C
H A 0008 ARG C 3.680 H A 0009 ASP CB
H A 0008 ARG CA 3.759 H A 0011 VAL CG2
H A 0009 ASP C 2.413 H A 0010 PHE CA
H A 0009 ASP C 3.025 H A 0010 PHE C
H A 0009 ASP C 3.680 H A 0010 PHE CB
H A 0010 PHE C 2.432 H A 0011 VAL CA
H A 0010 PHE C 3.194 H A 0011 VAL C
H A 0010 PHE C 3.667 H A 0011 VAL CB
H A 0010 PHE CZ 3.649 C A 0015 MET CB
H A 0010 PHE CE1 3.578 C A 0023 LEU CD2
H A 0010 PHE CZ 3.361 C A 0023 LEU CD2
H A 0010 PHE CD2 3.577 H A 0084 TRP CD1
H A 0010 PHE CE2 3.789 H A 0084 TRP CB
H A 0010 PHE CE2 3.596 H A 0084 TRP CG
H A 0010 PHE CE2 3.259 H A 0084 TRP CD1
H A 0011 VAL C 2.450 H A 0012 ALA CA
H A 0011 VAL C 3.454 H A 0012 ALA C
H A 0011 VAL C 3.539 H A 0012 ALA CB
H A 0012 ALA C 2.431 C A 0013 GLU CA
H A 0012 ALA C 3.659 C A 0013 GLU C
H A 0012 ALA C 3.209 C A 0013 GLU CB
H A 0012 ALA C 3.742 C A 0013 GLU CG
C A 0013 GLU CA 2.943 C A 0014 PRO CD
C A 0013 GLU C 2.457 C A 0014 PRO CA
C A 0013 GLU C 2.920 C A 0014 PRO C
C A 0013 GLU C 3.616 C A 0014 PRO CB
C A 0013 GLU C 3.670 C A 0014 PRO CG
C A 0013 GLU C 2.499 C A 0014 PRO CD
C A 0013 GLU CB 3.526 C A 0014 PRO CD
C A 0013 GLU C 3.442 C A 0088 PHE CZ
C A 0014 PRO C 2.431 C A 0015 MET CA
C A 0014 PRO C 3.256 C A 0015 MET C
C A 0014 PRO C 3.639 C A 0015 MET CB
C A 0014 PRO CA 3.610 C A 0088 PHE CZ
C A 0014 PRO CD 3.800 C A 0088 PHE CZ
C A 0015 MET C 2.428 C A 0016 GLY CA
C A 0015 MET C 2.909 C A 0016 GLY C
C A 0015 MET CE 3.372 H A 0046 LEU CD2
C A 0015 MET CG 3.714 H A 0084 TRP CZ2
C A 0015 MET CE 3.645 H A 0084 TRP CD2
C A 0015 MET CE 3.532 H A 0084 TRP CE2
C A 0015 MET CE 3.781 H A 0084 TRP CE3
C A 0015 MET CE 3.583 H A 0084 TRP CZ2
C A 0015 MET CE 3.727 H A 0084 TRP CH2
C A 0016 GLY C 2.451 C A 0017 GLU CA
C A 0016 GLY C 3.401 C A 0017 GLU C
C A 0016 GLY C 3.572 C A 0017 GLU CB
C A 0016 GLY C 3.750 C A 0017 GLU CG
C A 0017 GLU C 2.419 C A 0018 LYS CA
C A 0017 GLU C 2.980 C A 0018 LYS C
C A 0017 GLU C 3.693 C A 0018 LYS CB
C A 0018 LYS CA 2.914 C A 0019 PRO CD
C A 0018 LYS C 2.473 C A 0019 PRO CA
C A 0018 LYS C 3.135 C A 0019 PRO C
C A 0018 LYS C 3.665 C A 0019 PRO CB
C A 0018 LYS C 3.639 C A 0019 PRO CG
C A 0018 LYS C 2.492 C A 0019 PRO CD
C A 0018 LYS CB 3.543 C A 0019 PRO CD
C A 0019 PRO C 2.433 H A 0020 VAL CA
C A 0019 PRO C 2.909 H A 0020 VAL C
C A 0019 PRO C 3.706 H A 0020 VAL CB
H A 0020 VAL C 2.428 H A 0021 GLY CA
H A 0020 VAL C 2.945 H A 0021 GLY C
H A 0020 VAL CG2 3.758 H A 0034 LEU CD1
H A 0021 GLY C 2.420 H A 0022 SER CA
H A 0021 GLY C 3.162 H A 0022 SER C
H A 0021 GLY C 3.660 H A 0022 SER CB
H A 0022 SER C 2.424 C A 0023 LEU CA
H A 0022 SER C 3.005 C A 0023 LEU C
H A 0022 SER C 3.697 C A 0023 LEU CB
C A 0023 LEU C 2.418 C A 0024 ALA CA
C A 0023 LEU C 3.014 C A 0024 ALA C
C A 0023 LEU C 3.690 C A 0024 ALA CB
C A 0023 LEU CD2 3.743 H A 0081 LEU CD2
C A 0024 ALA C 2.440 C A 0025 GLY CA
C A 0024 ALA C 3.334 C A 0025 GLY C
C A 0025 GLY C 2.437 C A 0026 ILE CA
C A 0025 GLY C 3.307 C A 0026 ILE C
C A 0025 GLY C 3.613 C A 0026 ILE CB
C A 0025 GLY C 3.732 C A 0026 ILE CG1
C A 0025 GLY CA 3.707 H A 0076 ASP CB
C A 0026 ILE C 2.425 C A 0027 GLY CA
C A 0026 ILE C 3.237 C A 0027 GLY C
C A 0026 ILE CG2 3.563 H A 0031 GLY CA
C A 0027 GLY C 2.416 H A 0028 GLU CA
C A 0027 GLY C 2.972 H A 0028 GLU C
C A 0027 GLY C 3.685 H A 0028 GLU CB
H A 0028 GLU C 2.417 H A 0029 VAL CA
H A 0028 GLU C 3.017 H A 0029 VAL C
H A 0028 GLU C 3.700 H A 0029 VAL CB
H A 0029 VAL C 2.428 H A 0030 LEU CA
H A 0029 VAL C 3.064 H A 0030 LEU C
H A 0029 VAL C 3.680 H A 0030 LEU CB
H A 0030 LEU CA 3.798 H A 0031 GLY CA
H A 0030 LEU C 2.403 H A 0031 GLY CA
H A 0030 LEU C 2.916 H A 0031 GLY C
H A 0031 GLY C 2.424 H A 0032 LYS CA
H A 0031 GLY C 3.068 H A 0032 LYS C
H A 0031 GLY C 3.675 H A 0032 LYS CB
H A 0032 LYS C 2.421 H A 0033 LYS CA
H A 0032 LYS C 3.025 H A 0033 LYS C
H A 0032 LYS C 3.690 H A 0033 LYS CB
H A 0033 LYS C 2.415 H A 0034 LEU CA
H A 0033 LYS C 2.950 H A 0034 LEU C
H A 0033 LYS C 3.698 H A 0034 LEU CB
H A 0034 LEU C 2.417 H A 0035 GLU CA
H A 0034 LEU C 2.955 H A 0035 GLU C
H A 0034 LEU C 3.687 H A 0035 GLU CB
H A 0035 GLU C 2.436 H A 0036 GLU CA
H A 0035 GLU C 3.025 H A 0036 GLU C
H A 0035 GLU C 3.719 H A 0036 GLU CB
H A 0036 GLU C 2.421 H A 0037 ARG CA
H A 0036 GLU C 3.230 H A 0037 ARG C
H A 0036 GLU C 3.628 H A 0037 ARG CB
H A 0037 ARG C 2.442 C A 0038 GLY CA
H A 0037 ARG C 3.369 C A 0038 GLY C
H A 0037 ARG CB 3.786 C A 0039 PHE CD2
C A 0038 GLY C 2.437 C A 0039 PHE CA
C A 0038 GLY C 3.346 C A 0039 PHE C
C A 0038 GLY C 3.579 C A 0039 PHE CB
C A 0038 GLY C 3.751 C A 0039 PHE CG
C A 0039 PHE C 2.417 C A 0040 ASP CA
C A 0039 PHE C 3.172 C A 0040 ASP C
C A 0039 PHE C 3.650 C A 0040 ASP CB
C A 0039 PHE CD1 3.360 H A 0044 VAL CG1
C A 0039 PHE CE1 3.699 H A 0044 VAL CG1
C A 0040 ASP C 2.449 C A 0041 LYS CA
C A 0040 ASP C 3.574 C A 0041 LYS C
C A 0040 ASP C 3.420 C A 0041 LYS CB
C A 0040 ASP C 3.327 C A 0041 LYS CG
C A 0040 ASP CG 3.451 C A 0041 LYS CG
C A 0041 LYS C 2.439 H A 0042 ALA CA
C A 0041 LYS C 3.083 H A 0042 ALA C
C A 0041 LYS C 3.698 H A 0042 ALA CB
C A 0041 LYS CB 3.778 H A 0043 TYR CD2
C A 0041 LYS CB 3.455 H A 0043 TYR CE2
H A 0042 ALA C 2.423 H A 0043 TYR CA
H A 0042 ALA C 3.007 H A 0043 TYR C
H A 0042 ALA C 3.727 H A 0043 TYR CB
H A 0043 TYR C 2.415 H A 0044 VAL CA
H A 0043 TYR C 3.082 H A 0044 VAL C
H A 0043 TYR C 3.691 H A 0044 VAL CB
H A 0043 TYR CD1 3.584 H A 0044 VAL CG2
H A 0043 TYR CE1 3.314 H A 0044 VAL CG2
H A 0044 VAL C 2.442 H A 0045 VAL CA
H A 0044 VAL C 3.091 H A 0045 VAL C
H A 0044 VAL C 3.697 H A 0045 VAL CB
H A 0045 VAL CA 3.793 H A 0046 LEU CA
H A 0045 VAL C 2.404 H A 0046 LEU CA
H A 0045 VAL C 2.888 H A 0046 LEU C
H A 0045 VAL C 3.688 H A 0046 LEU CB
H A 0046 LEU C 2.417 H A 0047 GLY CA
H A 0046 LEU C 2.916 H A 0047 GLY C
H A 0046 LEU CD2 3.611 H A 0084 TRP CZ3
H A 0047 GLY C 2.429 H A 0048 GLN CA
H A 0047 GLY C 2.966 H A 0048 GLN C
H A 0047 GLY C 3.698 H A 0048 GLN CB
H A 0048 GLN C 2.435 H A 0049 PHE CA
H A 0048 GLN C 2.956 H A 0049 PHE C
H A 0048 GLN C 3.695 H A 0049 PHE CB
H A 0049 PHE C 2.415 H A 0050 LEU CA
H A 0049 PHE C 3.014 H A 0050 LEU C
H A 0049 PHE C 3.688 H A 0050 LEU CB
H A 0049 PHE CE1 3.658 C A 0054 LYS CA
H A 0049 PHE CE2 3.643 C A 0054 LYS CG
H A 0049 PHE CZ 3.680 C A 0054 LYS CA
H A 0049 PHE CZ 3.656 C A 0054 LYS CB
H A 0049 PHE CZ 3.590 C A 0054 LYS CG
H A 0050 LEU C 2.422 H A 0051 VAL CA
H A 0050 LEU C 3.035 H A 0051 VAL C
H A 0050 LEU C 3.689 H A 0051 VAL CB
H A 0050 LEU CD2 3.534 C A 0089 LEU CD2
H A 0051 VAL C 2.436 C A 0052 LEU CA
H A 0051 VAL C 3.247 C A 0052 LEU C
H A 0051 VAL C 3.655 C A 0052 LEU CB
C A 0052 LEU C 2.415 C A 0053 LYS CA
C A 0052 LEU C 2.873 C A 0053 LYS C
C A 0052 LEU C 3.047 C A 0053 LYS CB
C A 0052 LEU C 3.630 C A 0053 LYS CG
C A 0052 LEU CD1 3.539 H A 0059 PHE CA
C A 0053 LYS C 2.448 C A 0054 LYS CA
C A 0053 LYS C 3.024 C A 0054 LYS C
C A 0053 LYS C 2.991 C A 0054 LYS CB
C A 0053 LYS C 3.268 C A 0054 LYS CG
C A 0054 LYS C 2.404 C A 0055 ASP CA
C A 0054 LYS C 2.939 C A 0055 ASP C
C A 0054 LYS C 3.700 C A 0055 ASP CB
C A 0055 ASP C 2.434 H A 0056 GLU CA
C A 0055 ASP C 3.049 H A 0056 GLU C
C A 0055 ASP C 3.688 H A 0056 GLU CB
C A 0055 ASP CB 3.703 H A 0058 LEU CB
C A 0055 ASP CB 3.678 H A 0058 LEU CG
C A 0055 ASP CB 3.489 H A 0058 LEU CD1
C A 0055 ASP CG 3.614 H A 0058 LEU CD1
H A 0056 GLU C 2.422 H A 0057 ASP CA
H A 0056 GLU C 3.053 H A 0057 ASP C
H A 0056 GLU C 3.687 H A 0057 ASP CB
H A 0056 GLU CA 3.690 H A 0078 PHE CE1
H A 0056 GLU CB 3.470 H A 0078 PHE CE1
H A 0057 ASP C 2.400 H A 0058 LEU CA
H A 0057 ASP C 3.017 H A 0058 LEU C
H A 0057 ASP C 3.685 H A 0058 LEU CB
H A 0058 LEU C 2.419 H A 0059 PHE CA
H A 0058 LEU C 3.007 H A 0059 PHE C
H A 0058 LEU C 3.694 H A 0059 PHE CB
H A 0059 PHE C 2.418 H A 0060 ARG CA
H A 0059 PHE C 2.976 H A 0060 ARG C
H A 0059 PHE C 3.697 H A 0060 ARG CB
H A 0059 PHE CZ 3.715 H A 0081 LEU CD1
H A 0060 ARG C 2.403 H A 0061 GLU CA
H A 0060 ARG C 2.963 H A 0061 GLU C
H A 0060 ARG C 3.695 H A 0061 GLU CB
H A 0061 GLU C 2.423 H A 0062 TRP CA
H A 0061 GLU C 3.014 H A 0062 TRP C
H A 0061 GLU C 3.708 H A 0062 TRP CB
H A 0062 TRP C 2.414 H A 0063 LEU CA
H A 0062 TRP C 3.022 H A 0063 LEU C
H A 0062 TRP C 3.682 H A 0063 LEU CB
H A 0062 TRP CE3 3.387 H A 0063 LEU CA
H A 0062 TRP CE3 3.715 H A 0063 LEU CB
H A 0063 LEU C 2.416 H A 0064 LYS CA
H A 0063 LEU C 2.996 H A 0064 LYS C
H A 0063 LEU C 3.695 H A 0064 LYS CB
H A 0063 LEU CG 3.752 C A 0069 ALA CB
H A 0063 LEU CD2 3.789 C A 0069 ALA CB
H A 0064 LYS C 2.424 H A 0065 ASP CA
H A 0064 LYS C 3.019 H A 0065 ASP C
H A 0064 LYS C 3.722 H A 0065 ASP CB
H A 0065 ASP C 2.419 H A 0066 THR CA
H A 0065 ASP C 3.153 H A 0066 THR C
H A 0065 ASP C 3.668 H A 0066 THR CB
H A 0066 THR C 2.444 H A 0067 CYS CA
H A 0066 THR C 3.600 H A 0067 CYS C
H A 0066 THR C 3.386 H A 0067 CYS CB
H A 0067 CYS C 2.443 C A 0068 GLY CA
H A 0067 CYS C 3.391 C A 0068 GLY C
C A 0068 GLY C 2.425 C A 0069 ALA CA
C A 0068 GLY C 2.893 C A 0069 ALA C
C A 0068 GLY C 3.695 C A 0069 ALA CB
C A 0069 ALA C 2.431 C A 0070 ASN CA
C A 0069 ALA C 3.244 C A 0070 ASN C
C A 0069 ALA C 3.652 C A 0070 ASN CB
C A 0070 ASN C 2.429 H A 0071 ALA CA
C A 0070 ASN C 2.984 H A 0071 ALA C
C A 0070 ASN C 3.693 H A 0071 ALA CB
H A 0071 ALA C 2.429 H A 0072 LYS CA
H A 0071 ALA C 3.074 H A 0072 LYS C
H A 0071 ALA C 3.699 H A 0072 LYS CB
H A 0072 LYS CA 3.795 H A 0073 GLN CA
H A 0072 LYS C 2.404 H A 0073 GLN CA
H A 0072 LYS C 3.056 H A 0073 GLN C
H A 0072 LYS C 3.643 H A 0073 GLN CB
H A 0073 GLN C 2.406 H A 0074 SER CA
H A 0073 GLN C 3.016 H A 0074 SER C
H A 0073 GLN C 3.687 H A 0074 SER CB
H A 0074 SER C 2.437 H A 0075 ARG CA
H A 0074 SER C 2.983 H A 0075 ARG C
H A 0074 SER C 3.718 H A 0075 ARG CB
H A 0075 ARG C 2.421 H A 0076 ASP CA
H A 0075 ARG C 3.032 H A 0076 ASP C
H A 0075 ARG C 3.686 H A 0076 ASP CB
H A 0076 ASP C 2.411 H A 0077 CYS CA
H A 0076 ASP C 3.038 H A 0077 CYS C
H A 0076 ASP C 3.678 H A 0077 CYS CB
H A 0077 CYS C 2.414 H A 0078 PHE CA
H A 0077 CYS C 2.957 H A 0078 PHE C
H A 0077 CYS C 3.695 H A 0078 PHE CB
H A 0078 PHE C 2.424 H A 0079 GLY CA
H A 0078 PHE C 2.992 H A 0079 GLY C
H A 0078 PHE CE2 3.492 H A 0082 ARG CD
H A 0078 PHE CZ 3.788 H A 0082 ARG CD
H A 0079 GLY C 2.415 H A 0080 CYS CA
H A 0079 GLY C 3.051 H A 0080 CYS C
H A 0079 GLY C 3.684 H A 0080 CYS CB
H A 0080 CYS C 2.411 H A 0081 LEU CA
H A 0080 CYS C 3.029 H A 0081 LEU C
H A 0080 CYS C 3.687 H A 0081 LEU CB
H A 0081 LEU C 2.422 H A 0082 ARG CA
H A 0081 LEU C 3.010 H A 0082 ARG C
H A 0081 LEU C 3.688 H A 0082 ARG CB
H A 0082 ARG C 2.414 H A 0083 GLU CA
H A 0082 ARG C 3.054 H A 0083 GLU C
H A 0082 ARG C 3.697 H A 0083 GLU CB
H A 0083 GLU C 2.417 H A 0084 TRP CA
H A 0083 GLU C 2.930 H A 0084 TRP C
H A 0083 GLU C 3.701 H A 0084 TRP CB
H A 0084 TRP C 2.431 H A 0085 CYS CA
H A 0084 TRP C 2.987 H A 0085 CYS C
H A 0084 TRP C 3.702 H A 0085 CYS CB
H A 0084 TRP CG 3.536 C A 0088 PHE CD2
H A 0084 TRP CD1 3.262 C A 0088 PHE CD2
H A 0084 TRP CD1 3.394 C A 0088 PHE CE2
H A 0084 TRP CD2 3.712 C A 0088 PHE CB
H A 0084 TRP CD2 3.291 C A 0088 PHE CD2
H A 0084 TRP CE2 3.513 C A 0088 PHE CB
H A 0084 TRP CE2 3.251 C A 0088 PHE CG
H A 0084 TRP CE2 2.850 C A 0088 PHE CD2
H A 0084 TRP CE2 3.532 C A 0088 PHE CE2
H A 0084 TRP CE3 3.609 C A 0088 PHE CB
H A 0084 TRP CZ2 3.224 C A 0088 PHE CB
H A 0084 TRP CZ2 3.185 C A 0088 PHE CG
H A 0084 TRP CZ2 3.381 C A 0088 PHE CD2
H A 0084 TRP CZ3 3.316 C A 0088 PHE CB
H A 0084 TRP CH2 3.112 C A 0088 PHE CB
H A 0084 TRP CH2 3.691 C A 0088 PHE CG
H A 0085 CYS C 2.419 H A 0086 ASP CA
H A 0085 CYS C 2.944 H A 0086 ASP C
H A 0085 CYS C 3.694 H A 0086 ASP CB
H A 0086 ASP C 2.431 H A 0087 ALA CA
H A 0086 ASP C 3.288 H A 0087 ALA C
H A 0086 ASP C 3.627 H A 0087 ALA CB
H A 0087 ALA C 2.450 C A 0088 PHE CA
H A 0087 ALA C 3.477 C A 0088 PHE C
H A 0087 ALA C 3.537 C A 0088 PHE CB
H A 0087 ALA C 3.685 C A 0088 PHE CG
C A 0088 PHE C 2.433 C A 0089 LEU CA
C A 0088 PHE C 3.637 C A 0089 LEU C
C A 0088 PHE C 3.244 C A 0089 LEU CB
CHARGE_ATTR 2.00 12.00 112
H A 0009 ASP OD1 10.64 H A 0006 LYS NZ
H A 0009 ASP OD2 8.675 H A 0006 LYS NZ
H A 0009 ASP OD1 9.886 H A 0007 HIS ND1
H A 0009 ASP OD1 9.964 H A 0007 HIS NE2
H A 0009 ASP OD2 10.16 H A 0007 HIS ND1
H A 0009 ASP OD2 10.66 H A 0007 HIS NE2
H A 0009 ASP OD1 8.284 H A 0008 ARG NH1
H A 0009 ASP OD1 9.706 H A 0008 ARG NH2
H A 0009 ASP OD2 9.542 H A 0008 ARG NH1
H A 0009 ASP OD2 10.66 H A 0008 ARG NH2
H A 0009 ASP OD1 8.780 C A 0018 LYS NZ
H A 0009 ASP OD2 8.235 C A 0018 LYS NZ
C A 0013 GLU OE2 11.39 H A 0006 LYS NZ
C A 0013 GLU OE1 4.743 C A 0018 LYS NZ
C A 0013 GLU OE2 3.458 C A 0018 LYS NZ
C A 0017 GLU OE1 11.06 C A 0018 LYS NZ
C A 0017 GLU OE1 4.175 C A 0041 LYS NZ
C A 0017 GLU OE2 5.248 C A 0041 LYS NZ
H A 0028 GLU OE1 8.570 H A 0006 LYS NZ
H A 0028 GLU OE2 6.875 H A 0006 LYS NZ
H A 0028 GLU OE1 9.165 H A 0032 LYS NZ
H A 0028 GLU OE2 10.63 H A 0032 LYS NZ
H A 0035 GLU OE1 7.083 H A 0032 LYS NZ
H A 0035 GLU OE2 8.653 H A 0032 LYS NZ
H A 0035 GLU OE1 10.94 C A 0041 LYS NZ
H A 0035 GLU OE2 9.138 C A 0041 LYS NZ
H A 0036 GLU OE1 8.468 H A 0032 LYS NZ
H A 0036 GLU OE2 6.327 H A 0032 LYS NZ
H A 0036 GLU OE1 8.453 H A 0033 LYS NZ
H A 0036 GLU OE2 8.179 H A 0033 LYS NZ
H A 0036 GLU OE1 8.108 H A 0037 ARG NH1
H A 0036 GLU OE1 8.524 H A 0037 ARG NH2
H A 0036 GLU OE2 9.927 H A 0037 ARG NH1
H A 0036 GLU OE2 10.09 H A 0037 ARG NH2
C A 0040 ASP OD1 6.170 C A 0041 LYS NZ
C A 0040 ASP OD2 5.136 C A 0041 LYS NZ
C A 0055 ASP OD1 8.229 C A 0053 LYS NZ
C A 0055 ASP OD2 6.665 C A 0053 LYS NZ
C A 0055 ASP OD1 10.82 C A 0054 LYS NZ
C A 0055 ASP OD2 11.30 C A 0054 LYS NZ
C A 0055 ASP OD1 11.85 H A 0060 ARG NH1
C A 0055 ASP OD1 11.60 H A 0060 ARG NH2
C A 0055 ASP OD1 10.55 H A 0082 ARG NH1
C A 0055 ASP OD1 11.63 H A 0082 ARG NH2
H A 0056 GLU OE1 11.90 C A 0054 LYS NZ
H A 0056 GLU OE1 5.611 H A 0060 ARG NH1
H A 0056 GLU OE1 6.963 H A 0060 ARG NH2
H A 0056 GLU OE2 3.870 H A 0060 ARG NH1
H A 0056 GLU OE2 5.654 H A 0060 ARG NH2
H A 0056 GLU OE1 9.775 H A 0075 ARG NH1
H A 0056 GLU OE1 9.157 H A 0075 ARG NH2
H A 0056 GLU OE2 7.951 H A 0075 ARG NH1
H A 0056 GLU OE2 7.358 H A 0075 ARG NH2
H A 0056 GLU OE1 5.900 H A 0082 ARG NH1
H A 0056 GLU OE1 8.029 H A 0082 ARG NH2
H A 0056 GLU OE2 7.334 H A 0082 ARG NH1
H A 0056 GLU OE2 9.553 H A 0082 ARG NH2
H A 0057 ASP OD1 5.045 H A 0060 ARG NH1
H A 0057 ASP OD1 4.161 H A 0060 ARG NH2
H A 0057 ASP OD2 7.106 H A 0060 ARG NH1
H A 0057 ASP OD2 6.055 H A 0060 ARG NH2
H A 0057 ASP OD1 11.65 H A 0075 ARG NH1
H A 0057 ASP OD1 10.05 H A 0075 ARG NH2
H A 0057 ASP OD2 11.81 H A 0075 ARG NH2
H A 0057 ASP OD1 11.19 H A 0082 ARG NH1
H A 0057 ASP OD2 11.95 H A 0082 ARG NH1
H A 0061 GLU OE1 9.557 H A 0060 ARG NH1
H A 0061 GLU OE1 7.679 H A 0060 ARG NH2
H A 0061 GLU OE2 11.40 H A 0060 ARG NH1
H A 0061 GLU OE2 9.502 H A 0060 ARG NH2
H A 0061 GLU OE1 9.592 H A 0064 LYS NZ
H A 0061 GLU OE2 9.574 H A 0064 LYS NZ
H A 0065 ASP OD1 8.899 H A 0037 ARG NH1
H A 0065 ASP OD1 7.246 H A 0037 ARG NH2
H A 0065 ASP OD2 10.23 H A 0037 ARG NH1
H A 0065 ASP OD2 8.778 H A 0037 ARG NH2
H A 0065 ASP OD1 8.550 H A 0064 LYS NZ
H A 0065 ASP OD2 8.588 H A 0064 LYS NZ
H A 0076 ASP OD2 11.57 H A 0006 LYS NZ
H A 0076 ASP OD1 6.659 H A 0007 HIS ND1
H A 0076 ASP OD1 7.894 H A 0007 HIS NE2
H A 0076 ASP OD2 7.696 H A 0007 HIS ND1
H A 0076 ASP OD2 9.255 H A 0007 HIS NE2
H A 0076 ASP OD1 10.89 H A 0060 ARG NH1
H A 0076 ASP OD2 11.81 H A 0060 ARG NH1
H A 0076 ASP OD1 8.534 H A 0072 LYS NZ
H A 0076 ASP OD2 7.980 H A 0072 LYS NZ
H A 0076 ASP OD1 8.053 H A 0075 ARG NH1
H A 0076 ASP OD1 9.767 H A 0075 ARG NH2
H A 0076 ASP OD2 9.128 H A 0075 ARG NH1
H A 0076 ASP OD2 10.73 H A 0075 ARG NH2
H A 0083 GLU OE1 4.658 H A 0007 HIS ND1
H A 0083 GLU OE1 2.985 H A 0007 HIS NE2
H A 0083 GLU OE2 5.697 H A 0007 HIS ND1
H A 0083 GLU OE2 4.009 H A 0007 HIS NE2
H A 0083 GLU OE1 9.768 H A 0008 ARG NH1
H A 0083 GLU OE1 9.553 H A 0008 ARG NH2
H A 0083 GLU OE2 10.55 H A 0008 ARG NH1
H A 0083 GLU OE2 9.956 H A 0008 ARG NH2
H A 0083 GLU OE1 9.875 H A 0082 ARG NH1
H A 0083 GLU OE1 10.02 H A 0082 ARG NH2
H A 0083 GLU OE2 8.384 H A 0082 ARG NH1
H A 0083 GLU OE2 8.574 H A 0082 ARG NH2
H A 0086 ASP OD1 11.28 H A 0007 HIS NE2
H A 0086 ASP OD2 10.52 H A 0007 HIS ND1
H A 0086 ASP OD2 9.461 H A 0007 HIS NE2
H A 0086 ASP OD1 4.865 C A 0054 LYS NZ
H A 0086 ASP OD2 6.631 C A 0054 LYS NZ
H A 0086 ASP OD1 7.263 H A 0082 ARG NH1
H A 0086 ASP OD1 6.113 H A 0082 ARG NH2
H A 0086 ASP OD2 6.545 H A 0082 ARG NH1
H A 0086 ASP OD2 5.539 H A 0082 ARG NH2
CHARGE_REPU 2.00 12.00 78
H A 0006 LYS NZ 11.86 H A 0007 HIS ND1
H A 0006 LYS NZ 10.55 C A 0018 LYS NZ
H A 0007 HIS ND1 9.897 H A 0008 ARG NH1
H A 0007 HIS ND1 9.349 H A 0008 ARG NH2
H A 0007 HIS NE2 8.567 H A 0008 ARG NH1
H A 0007 HIS NE2 8.043 H A 0008 ARG NH2
H A 0007 HIS NE2 11.61 H A 0082 ARG NH1
H A 0009 ASP OD1 7.080 C A 0013 GLU OE1
H A 0009 ASP OD1 6.002 C A 0013 GLU OE2
H A 0009 ASP OD2 7.599 C A 0013 GLU OE1
H A 0009 ASP OD2 6.112 C A 0013 GLU OE2
H A 0009 ASP OD1 11.35 H A 0083 GLU OE1
C A 0017 GLU OE1 9.800 C A 0040 ASP OD1
C A 0017 GLU OE1 9.100 C A 0040 ASP OD2
C A 0017 GLU OE2 10.01 C A 0040 ASP OD1
C A 0017 GLU OE2 9.507 C A 0040 ASP OD2
H A 0028 GLU OE1 11.70 H A 0035 GLU OE1
H A 0028 GLU OE1 11.51 H A 0035 GLU OE2
H A 0028 GLU OE2 11.47 H A 0035 GLU OE2
H A 0032 LYS NZ 9.732 H A 0033 LYS NZ
H A 0033 LYS NZ 10.48 H A 0037 ARG NH1
H A 0033 LYS NZ 8.883 H A 0037 ARG NH2
H A 0035 GLU OE1 8.265 H A 0036 GLU OE1
H A 0035 GLU OE1 6.962 H A 0036 GLU OE2
H A 0035 GLU OE2 10.03 H A 0036 GLU OE1
H A 0035 GLU OE2 8.869 H A 0036 GLU OE2
H A 0035 GLU OE1 8.433 C A 0040 ASP OD1
H A 0035 GLU OE1 8.005 C A 0040 ASP OD2
H A 0035 GLU OE2 7.070 C A 0040 ASP OD1
H A 0035 GLU OE2 6.726 C A 0040 ASP OD2
C A 0054 LYS NZ 7.888 H A 0082 ARG NH1
C A 0054 LYS NZ 7.266 H A 0082 ARG NH2
C A 0055 ASP OD1 8.611 H A 0056 GLU OE1
C A 0055 ASP OD1 10.15 H A 0056 GLU OE2
C A 0055 ASP OD2 10.35 H A 0056 GLU OE1
C A 0055 ASP OD2 11.70 H A 0056 GLU OE2
C A 0055 ASP OD1 7.736 H A 0057 ASP OD1
C A 0055 ASP OD1 6.923 H A 0057 ASP OD2
C A 0055 ASP OD2 9.081 H A 0057 ASP OD1
C A 0055 ASP OD2 8.310 H A 0057 ASP OD2
C A 0055 ASP OD1 10.68 H A 0061 GLU OE1
C A 0055 ASP OD2 10.63 H A 0061 GLU OE1
H A 0056 GLU OE1 5.624 H A 0057 ASP OD1
H A 0056 GLU OE1 6.886 H A 0057 ASP OD2
H A 0056 GLU OE2 5.706 H A 0057 ASP OD1
H A 0056 GLU OE2 7.457 H A 0057 ASP OD2
H A 0056 GLU OE2 11.60 H A 0061 GLU OE1
H A 0056 GLU OE1 11.92 H A 0076 ASP OD1
H A 0056 GLU OE2 10.28 H A 0076 ASP OD1
H A 0056 GLU OE2 11.72 H A 0076 ASP OD2
H A 0056 GLU OE2 12.00 H A 0083 GLU OE2
H A 0056 GLU OE1 11.97 H A 0086 ASP OD2
H A 0057 ASP OD1 6.998 H A 0061 GLU OE1
H A 0057 ASP OD1 9.149 H A 0061 GLU OE2
H A 0057 ASP OD2 7.199 H A 0061 GLU OE1
H A 0057 ASP OD2 9.299 H A 0061 GLU OE2
H A 0060 ARG NH1 10.01 H A 0064 LYS NZ
H A 0060 ARG NH2 8.886 H A 0064 LYS NZ
H A 0060 ARG NH1 6.927 H A 0075 ARG NH1
H A 0060 ARG NH1 5.523 H A 0075 ARG NH2
H A 0060 ARG NH2 8.633 H A 0075 ARG NH1
H A 0060 ARG NH2 6.879 H A 0075 ARG NH2
H A 0060 ARG NH1 11.20 H A 0082 ARG NH1
H A 0061 GLU OE1 8.605 H A 0065 ASP OD1
H A 0061 GLU OE1 6.566 H A 0065 ASP OD2
H A 0061 GLU OE2 7.035 H A 0065 ASP OD1
H A 0061 GLU OE2 4.925 H A 0065 ASP OD2
H A 0064 LYS NZ 11.75 H A 0075 ARG NH2
H A 0072 LYS NZ 7.701 H A 0075 ARG NH1
H A 0072 LYS NZ 9.154 H A 0075 ARG NH2
H A 0076 ASP OD1 10.08 H A 0083 GLU OE1
H A 0076 ASP OD1 9.756 H A 0083 GLU OE2
H A 0076 ASP OD2 11.66 H A 0083 GLU OE1
H A 0076 ASP OD2 11.59 H A 0083 GLU OE2
H A 0083 GLU OE1 8.540 H A 0086 ASP OD1
H A 0083 GLU OE1 6.663 H A 0086 ASP OD2
H A 0083 GLU OE2 8.395 H A 0086 ASP OD1
H A 0083 GLU OE2 6.318 H A 0086 ASP OD2
HB_MM 2.00 3.20 159
C A 0002 THR N 2.197 C A 0001 MET O
C A 0003 THR N 2.195 C A 0002 THR O
C A 0004 SER N 2.186 C A 0003 THR O
H A 0005 GLN N 2.201 C A 0004 SER O
H A 0006 LYS N 2.868 C A 0004 SER O
H A 0006 LYS N 2.192 H A 0005 GLN O
H A 0007 HIS N 2.998 C A 0004 SER O
H A 0007 HIS N 2.191 H A 0006 LYS O
H A 0008 ARG N 2.200 H A 0007 HIS O
H A 0009 ASP N 2.852 H A 0005 GLN O
H A 0009 ASP N 3.148 H A 0006 LYS O
H A 0009 ASP N 2.190 H A 0008 ARG O
H A 0010 PHE N 2.666 H A 0006 LYS O
H A 0010 PHE N 2.186 H A 0009 ASP O
H A 0011 VAL N 2.194 H A 0010 PHE O
H A 0012 ALA N 3.186 H A 0008 ARG O
H A 0012 ALA N 3.184 H A 0009 ASP O
H A 0012 ALA N 3.153 H A 0010 PHE O
H A 0012 ALA N 2.205 H A 0011 VAL O
C A 0013 GLU N 2.195 H A 0012 ALA O
C A 0014 PRO N 2.204 C A 0013 GLU O
C A 0015 MET N 2.198 C A 0014 PRO O
C A 0016 GLY N 2.193 C A 0015 MET O
C A 0017 GLU N 2.206 C A 0016 GLY O
C A 0018 LYS N 2.192 C A 0017 GLU O
C A 0019 PRO N 2.210 C A 0018 LYS O
H A 0020 VAL N 2.203 C A 0019 PRO O
H A 0021 GLY N 3.160 C A 0019 PRO O
H A 0021 GLY N 2.197 H A 0020 VAL O
H A 0022 SER N 2.761 C A 0019 PRO O
H A 0022 SER N 2.529 H A 0020 VAL O
H A 0022 SER N 2.192 H A 0021 GLY O
C A 0023 LEU N 2.801 H A 0020 VAL O
C A 0023 LEU N 2.195 H A 0022 SER O
C A 0024 ALA N 2.195 C A 0023 LEU O
C A 0025 GLY N 2.203 C A 0024 ALA O
C A 0026 ILE N 2.200 C A 0025 GLY O
C A 0027 GLY N 2.197 C A 0026 ILE O
H A 0028 GLU N 2.195 C A 0027 GLY O
H A 0029 VAL N 2.192 H A 0028 GLU O
H A 0030 LEU N 3.194 C A 0027 GLY O
H A 0030 LEU N 2.196 H A 0029 VAL O
H A 0031 GLY N 2.734 C A 0027 GLY O
H A 0031 GLY N 2.191 H A 0030 LEU O
H A 0032 LYS N 3.192 H A 0028 GLU O
H A 0032 LYS N 3.041 H A 0030 LEU O
H A 0032 LYS N 2.200 H A 0031 GLY O
H A 0033 LYS N 3.071 H A 0030 LEU O
H A 0033 LYS N 2.193 H A 0032 LYS O
H A 0034 LEU N 2.190 H A 0033 LYS O
H A 0035 GLU N 3.054 H A 0031 GLY O
H A 0035 GLU N 2.193 H A 0034 LEU O
H A 0036 GLU N 3.099 H A 0032 LYS O
H A 0036 GLU N 3.117 H A 0033 LYS O
H A 0036 GLU N 2.198 H A 0035 GLU O
H A 0037 ARG N 3.116 H A 0033 LYS O
H A 0037 ARG N 2.808 H A 0034 LEU O
H A 0037 ARG N 3.089 H A 0035 GLU O
H A 0037 ARG N 2.195 H A 0036 GLU O
C A 0038 GLY N 3.053 H A 0035 GLU O
C A 0038 GLY N 2.202 H A 0037 ARG O
C A 0039 PHE N 3.033 H A 0034 LEU O
C A 0039 PHE N 2.197 C A 0038 GLY O
C A 0040 ASP N 2.195 C A 0039 PHE O
C A 0041 LYS N 2.204 C A 0040 ASP O
H A 0042 ALA N 2.198 C A 0041 LYS O
H A 0043 TYR N 2.190 H A 0042 ALA O
H A 0044 VAL N 2.954 H A 0042 ALA O
H A 0044 VAL N 2.188 H A 0043 TYR O
H A 0045 VAL N 2.843 H A 0042 ALA O
H A 0045 VAL N 2.209 H A 0044 VAL O
H A 0046 LEU N 2.884 H A 0042 ALA O
H A 0046 LEU N 2.194 H A 0045 VAL O
H A 0047 GLY N 3.170 H A 0045 VAL O
H A 0047 GLY N 2.196 H A 0046 LEU O
H A 0048 GLN N 2.933 H A 0045 VAL O
H A 0048 GLN N 3.155 H A 0046 LEU O
H A 0048 GLN N 2.197 H A 0047 GLY O
H A 0049 PHE N 3.182 H A 0045 VAL O
H A 0049 PHE N 2.943 H A 0046 LEU O
H A 0049 PHE N 2.200 H A 0048 GLN O
H A 0050 LEU N 2.945 H A 0046 LEU O
H A 0050 LEU N 3.053 H A 0047 GLY O
H A 0050 LEU N 2.193 H A 0049 PHE O
H A 0051 VAL N 2.841 H A 0047 GLY O
H A 0051 VAL N 3.036 H A 0048 GLN O
H A 0051 VAL N 2.191 H A 0050 LEU O
C A 0052 LEU N 2.999 H A 0048 GLN O
C A 0052 LEU N 2.197 H A 0051 VAL O
C A 0053 LYS N 3.146 H A 0050 LEU O
C A 0053 LYS N 2.186 C A 0052 LEU O
C A 0054 LYS N 2.847 C A 0052 LEU O
C A 0054 LYS N 2.202 C A 0053 LYS O
C A 0055 ASP N 2.662 C A 0052 LEU O
C A 0055 ASP N 3.008 C A 0053 LYS O
C A 0055 ASP N 2.185 C A 0054 LYS O
H A 0056 GLU N 2.809 C A 0054 LYS O
H A 0056 GLU N 2.197 C A 0055 ASP O
H A 0057 ASP N 2.188 H A 0056 GLU O
H A 0058 LEU N 2.187 H A 0057 ASP O
H A 0059 PHE N 2.850 C A 0055 ASP O
H A 0059 PHE N 2.196 H A 0058 LEU O
H A 0060 ARG N 2.932 H A 0056 GLU O
H A 0060 ARG N 2.198 H A 0059 PHE O
H A 0061 GLU N 3.094 H A 0057 ASP O
H A 0061 GLU N 2.189 H A 0060 ARG O
H A 0062 TRP N 2.924 H A 0058 LEU O
H A 0062 TRP N 3.080 H A 0059 PHE O
H A 0062 TRP N 2.184 H A 0061 GLU O
H A 0063 LEU N 2.938 H A 0059 PHE O
H A 0063 LEU N 2.189 H A 0062 TRP O
H A 0064 LYS N 2.974 H A 0060 ARG O
H A 0064 LYS N 2.192 H A 0063 LEU O
H A 0065 ASP N 2.869 H A 0061 GLU O
H A 0065 ASP N 2.196 H A 0064 LYS O
H A 0066 THR N 2.865 H A 0062 TRP O
H A 0066 THR N 3.168 H A 0063 LEU O
H A 0066 THR N 2.194 H A 0065 ASP O
H A 0067 CYS N 2.873 H A 0063 LEU O
H A 0067 CYS N 2.200 H A 0066 THR O
C A 0068 GLY N 2.656 H A 0064 LYS O
C A 0068 GLY N 2.202 H A 0067 CYS O
C A 0069 ALA N 2.197 C A 0068 GLY O
C A 0070 ASN N 2.197 C A 0069 ALA O
H A 0071 ALA N 2.201 C A 0070 ASN O
H A 0072 LYS N 3.154 C A 0070 ASN O
H A 0072 LYS N 2.192 H A 0071 ALA O
H A 0073 GLN N 2.190 H A 0072 LYS O
H A 0074 SER N 3.147 C A 0070 ASN O
H A 0074 SER N 2.191 H A 0073 GLN O
H A 0075 ARG N 2.204 H A 0074 SER O
H A 0076 ASP N 2.190 H A 0075 ARG O
H A 0077 CYS N 2.192 H A 0076 ASP O
H A 0078 PHE N 2.945 H A 0074 SER O
H A 0078 PHE N 2.192 H A 0077 CYS O
H A 0079 GLY N 2.196 H A 0078 PHE O
H A 0080 CYS N 2.922 H A 0076 ASP O
H A 0080 CYS N 3.177 H A 0078 PHE O
H A 0080 CYS N 2.189 H A 0079 GLY O
H A 0081 LEU N 2.750 H A 0077 CYS O
H A 0081 LEU N 2.194 H A 0080 CYS O
H A 0082 ARG N 2.744 H A 0078 PHE O
H A 0082 ARG N 2.195 H A 0081 LEU O
H A 0083 GLU N 2.936 H A 0079 GLY O
H A 0083 GLU N 2.191 H A 0082 ARG O
H A 0084 TRP N 3.182 H A 0080 CYS O
H A 0084 TRP N 2.192 H A 0083 GLU O
H A 0085 CYS N 3.153 H A 0081 LEU O
H A 0085 CYS N 2.203 H A 0084 TRP O
H A 0086 ASP N 3.125 H A 0082 ARG O
H A 0086 ASP N 3.104 H A 0083 GLU O
H A 0086 ASP N 2.195 H A 0085 CYS O
H A 0087 ALA N 3.011 H A 0084 TRP O
H A 0087 ALA N 3.063 H A 0085 CYS O
H A 0087 ALA N 2.199 H A 0086 ASP O
C A 0088 PHE N 2.702 H A 0084 TRP O
C A 0088 PHE N 2.204 H A 0087 ALA O
C A 0089 LEU N 2.487 H A 0085 CYS O
C A 0089 LEU N 2.189 C A 0088 PHE O
HB_MS 2.00 3.20 4
C A 0041 LYS N 2.781 C A 0040 ASP OD1
H A 0062 TRP O 2.351 H A 0066 THR OG1
H A 0066 THR O 3.134 H A 0037 ARG NH2
C A 0070 ASN O 2.443 H A 0074 SER OG
AROMATIC 0.00 8.00 6
C A 0039 PHE 5.765 H A 0062 TRP
C A 0041 LYS 7.026 H A 0043 TYR
H A 0082 ARG 4.895 H A 0078 PHE
H A 0084 TRP 4.286 C A 0088 PHE
H A 0049 PHE 5.986 H A 0059 PHE
C A 0054 LYS 6.714 H A 0049 PHE
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 3
H A 0050 LEU CD1 3.581 H B 0050 LEU CD1
H A 0084 TRP CH2 3.446 C B 0089 LEU CD1
C A 0089 LEU CD1 3.451 H B 0084 TRP CH2
CHARGE_ATTR 2.00 12.00 20
C A 0017 GLU OE1 11.70 C B 0053 LYS NZ
C A 0017 GLU OE2 11.37 C B 0053 LYS NZ
C A 0017 GLU OE1 8.505 C B 0054 LYS NZ
C A 0017 GLU OE2 6.436 C B 0054 LYS NZ
C A 0017 GLU OE2 11.94 H B 0082 ARG NH1
C A 0017 GLU OE2 10.64 H B 0082 ARG NH2
H A 0035 GLU OE1 10.77 C B 0053 LYS NZ
H A 0035 GLU OE2 9.998 C B 0053 LYS NZ
C A 0040 ASP OD1 3.976 C B 0053 LYS NZ
C A 0040 ASP OD2 4.222 C B 0053 LYS NZ
C A 0053 LYS NZ 11.71 C B 0017 GLU OE1
C A 0053 LYS NZ 11.38 C B 0017 GLU OE2
C A 0053 LYS NZ 10.78 H B 0035 GLU OE1
C A 0053 LYS NZ 9.998 H B 0035 GLU OE2
C A 0053 LYS NZ 3.983 C B 0040 ASP OD1
C A 0053 LYS NZ 4.227 C B 0040 ASP OD2
C A 0054 LYS NZ 8.504 C B 0017 GLU OE1
C A 0054 LYS NZ 6.434 C B 0017 GLU OE2
H A 0082 ARG NH1 11.94 C B 0017 GLU OE2
H A 0082 ARG NH2 10.64 C B 0017 GLU OE2
CHARGE_REPU 2.00 12.00 18
C A 0017 GLU OE1 11.55 H B 0086 ASP OD1
C A 0017 GLU OE2 9.588 H B 0086 ASP OD1
C A 0017 GLU OE2 11.41 H B 0086 ASP OD2
C A 0040 ASP OD1 11.43 C B 0055 ASP OD1
C A 0040 ASP OD1 10.15 C B 0055 ASP OD2
C A 0040 ASP OD2 11.13 C B 0055 ASP OD1
C A 0040 ASP OD2 10.10 C B 0055 ASP OD2
C A 0041 LYS NZ 8.447 C B 0053 LYS NZ
C A 0041 LYS NZ 10.36 C B 0054 LYS NZ
C A 0053 LYS NZ 8.456 C B 0041 LYS NZ
C A 0054 LYS NZ 10.37 C B 0041 LYS NZ
C A 0055 ASP OD1 11.44 C B 0040 ASP OD1
C A 0055 ASP OD1 11.13 C B 0040 ASP OD2
C A 0055 ASP OD2 10.16 C B 0040 ASP OD1
C A 0055 ASP OD2 10.10 C B 0040 ASP OD2
H A 0086 ASP OD1 11.55 C B 0017 GLU OE1
H A 0086 ASP OD1 9.588 C B 0017 GLU OE2
H A 0086 ASP OD2 11.41 C B 0017 GLU OE2
AROMATIC 0.00 8.00 2
H A 0043 TYR 7.785 C B 0053 LYS
C A 0053 LYS 7.789 H B 0043 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 345
C B 0001 MET CA 3.794 C B 0002 THR CA
C B 0001 MET C 2.417 C B 0002 THR CA
C B 0001 MET C 3.179 C B 0002 THR C
C B 0001 MET C 3.638 C B 0002 THR CB
C B 0002 THR C 2.404 C B 0003 THR CA
C B 0002 THR C 2.887 C B 0003 THR C
C B 0002 THR C 3.688 C B 0003 THR CB
C B 0003 THR C 2.404 C B 0004 SER CA
C B 0003 THR C 2.917 C B 0004 SER C
C B 0003 THR C 3.685 C B 0004 SER CB
C B 0003 THR CB 3.607 H B 0007 HIS CB
C B 0004 SER C 2.435 H B 0005 GLN CA
C B 0004 SER C 2.968 H B 0005 GLN C
C B 0004 SER C 3.694 H B 0005 GLN CB
H B 0005 GLN C 2.417 H B 0006 LYS CA
H B 0005 GLN C 2.983 H B 0006 LYS C
H B 0005 GLN C 3.679 H B 0006 LYS CB
H B 0006 LYS C 2.408 H B 0007 HIS CA
H B 0006 LYS C 2.914 H B 0007 HIS C
H B 0006 LYS C 3.688 H B 0007 HIS CB
H B 0007 HIS C 2.431 H B 0008 ARG CA
H B 0007 HIS C 3.078 H B 0008 ARG C
H B 0007 HIS C 3.696 H B 0008 ARG CB
H B 0008 ARG C 2.403 H B 0009 ASP CA
H B 0008 ARG C 3.017 H B 0009 ASP C
H B 0008 ARG C 3.681 H B 0009 ASP CB
H B 0008 ARG CA 3.758 H B 0011 VAL CG2
H B 0009 ASP C 2.413 H B 0010 PHE CA
H B 0009 ASP C 3.025 H B 0010 PHE C
H B 0009 ASP C 3.680 H B 0010 PHE CB
H B 0010 PHE C 2.433 H B 0011 VAL CA
H B 0010 PHE C 3.195 H B 0011 VAL C
H B 0010 PHE C 3.668 H B 0011 VAL CB
H B 0010 PHE CZ 3.650 C B 0015 MET CB
H B 0010 PHE CE1 3.578 C B 0023 LEU CD2
H B 0010 PHE CZ 3.360 C B 0023 LEU CD2
H B 0010 PHE CD2 3.578 H B 0084 TRP CD1
H B 0010 PHE CE2 3.790 H B 0084 TRP CB
H B 0010 PHE CE2 3.597 H B 0084 TRP CG
H B 0010 PHE CE2 3.260 H B 0084 TRP CD1
H B 0011 VAL C 2.451 H B 0012 ALA CA
H B 0011 VAL C 3.454 H B 0012 ALA C
H B 0011 VAL C 3.539 H B 0012 ALA CB
H B 0012 ALA C 2.432 C B 0013 GLU CA
H B 0012 ALA C 3.659 C B 0013 GLU C
H B 0012 ALA C 3.210 C B 0013 GLU CB
H B 0012 ALA C 3.742 C B 0013 GLU CG
C B 0013 GLU CA 2.943 C B 0014 PRO CD
C B 0013 GLU C 2.458 C B 0014 PRO CA
C B 0013 GLU C 2.919 C B 0014 PRO C
C B 0013 GLU C 3.615 C B 0014 PRO CB
C B 0013 GLU C 3.670 C B 0014 PRO CG
C B 0013 GLU C 2.499 C B 0014 PRO CD
C B 0013 GLU CB 3.526 C B 0014 PRO CD
C B 0013 GLU C 3.442 C B 0088 PHE CZ
C B 0014 PRO C 2.432 C B 0015 MET CA
C B 0014 PRO C 3.256 C B 0015 MET C
C B 0014 PRO C 3.640 C B 0015 MET CB
C B 0014 PRO CA 3.611 C B 0088 PHE CZ
C B 0014 PRO CD 3.800 C B 0088 PHE CZ
C B 0015 MET C 2.428 C B 0016 GLY CA
C B 0015 MET C 2.909 C B 0016 GLY C
C B 0015 MET CE 3.371 H B 0046 LEU CD2
C B 0015 MET CG 3.715 H B 0084 TRP CZ2
C B 0015 MET CE 3.646 H B 0084 TRP CD2
C B 0015 MET CE 3.533 H B 0084 TRP CE2
C B 0015 MET CE 3.781 H B 0084 TRP CE3
C B 0015 MET CE 3.583 H B 0084 TRP CZ2
C B 0015 MET CE 3.728 H B 0084 TRP CH2
C B 0016 GLY C 2.451 C B 0017 GLU CA
C B 0016 GLY C 3.402 C B 0017 GLU C
C B 0016 GLY C 3.573 C B 0017 GLU CB
C B 0016 GLY C 3.749 C B 0017 GLU CG
C B 0017 GLU C 2.419 C B 0018 LYS CA
C B 0017 GLU C 2.980 C B 0018 LYS C
C B 0017 GLU C 3.693 C B 0018 LYS CB
C B 0018 LYS CA 2.914 C B 0019 PRO CD
C B 0018 LYS C 2.474 C B 0019 PRO CA
C B 0018 LYS C 3.136 C B 0019 PRO C
C B 0018 LYS C 3.666 C B 0019 PRO CB
C B 0018 LYS C 3.639 C B 0019 PRO CG
C B 0018 LYS C 2.493 C B 0019 PRO CD
C B 0018 LYS CB 3.542 C B 0019 PRO CD
C B 0019 PRO C 2.432 H B 0020 VAL CA
C B 0019 PRO C 2.910 H B 0020 VAL C
C B 0019 PRO C 3.707 H B 0020 VAL CB
H B 0020 VAL C 2.428 H B 0021 GLY CA
H B 0020 VAL C 2.946 H B 0021 GLY C
H B 0020 VAL CG2 3.755 H B 0034 LEU CD1
H B 0021 GLY C 2.421 H B 0022 SER CA
H B 0021 GLY C 3.164 H B 0022 SER C
H B 0021 GLY C 3.660 H B 0022 SER CB
H B 0022 SER C 2.423 C B 0023 LEU CA
H B 0022 SER C 3.004 C B 0023 LEU C
H B 0022 SER C 3.699 C B 0023 LEU CB
C B 0023 LEU C 2.418 C B 0024 ALA CA
C B 0023 LEU C 3.014 C B 0024 ALA C
C B 0023 LEU C 3.690 C B 0024 ALA CB
C B 0023 LEU CD2 3.744 H B 0081 LEU CD2
C B 0024 ALA C 2.440 C B 0025 GLY CA
C B 0024 ALA C 3.334 C B 0025 GLY C
C B 0025 GLY C 2.437 C B 0026 ILE CA
C B 0025 GLY C 3.306 C B 0026 ILE C
C B 0025 GLY C 3.613 C B 0026 ILE CB
C B 0025 GLY C 3.732 C B 0026 ILE CG1
C B 0025 GLY CA 3.706 H B 0076 ASP CB
C B 0026 ILE C 2.425 C B 0027 GLY CA
C B 0026 ILE C 3.237 C B 0027 GLY C
C B 0026 ILE CG2 3.566 H B 0031 GLY CA
C B 0027 GLY C 2.416 H B 0028 GLU CA
C B 0027 GLY C 2.973 H B 0028 GLU C
C B 0027 GLY C 3.685 H B 0028 GLU CB
H B 0028 GLU C 2.418 H B 0029 VAL CA
H B 0028 GLU C 3.017 H B 0029 VAL C
H B 0028 GLU C 3.700 H B 0029 VAL CB
H B 0029 VAL C 2.429 H B 0030 LEU CA
H B 0029 VAL C 3.065 H B 0030 LEU C
H B 0029 VAL C 3.680 H B 0030 LEU CB
H B 0030 LEU CA 3.798 H B 0031 GLY CA
H B 0030 LEU C 2.403 H B 0031 GLY CA
H B 0030 LEU C 2.917 H B 0031 GLY C
H B 0031 GLY C 2.424 H B 0032 LYS CA
H B 0031 GLY C 3.069 H B 0032 LYS C
H B 0031 GLY C 3.676 H B 0032 LYS CB
H B 0032 LYS C 2.420 H B 0033 LYS CA
H B 0032 LYS C 3.025 H B 0033 LYS C
H B 0032 LYS C 3.689 H B 0033 LYS CB
H B 0033 LYS C 2.416 H B 0034 LEU CA
H B 0033 LYS C 2.951 H B 0034 LEU C
H B 0033 LYS C 3.698 H B 0034 LEU CB
H B 0034 LEU C 2.418 H B 0035 GLU CA
H B 0034 LEU C 2.957 H B 0035 GLU C
H B 0034 LEU C 3.687 H B 0035 GLU CB
H B 0034 LEU CD2 3.799 H B 0066 THR CG2
H B 0035 GLU C 2.436 H B 0036 GLU CA
H B 0035 GLU C 3.025 H B 0036 GLU C
H B 0035 GLU C 3.718 H B 0036 GLU CB
H B 0036 GLU C 2.422 H B 0037 ARG CA
H B 0036 GLU C 3.231 H B 0037 ARG C
H B 0036 GLU C 3.628 H B 0037 ARG CB
H B 0037 ARG C 2.442 C B 0038 GLY CA
H B 0037 ARG C 3.370 C B 0038 GLY C
H B 0037 ARG CB 3.786 C B 0039 PHE CD2
C B 0038 GLY C 2.436 C B 0039 PHE CA
C B 0038 GLY C 3.346 C B 0039 PHE C
C B 0038 GLY C 3.578 C B 0039 PHE CB
C B 0038 GLY C 3.751 C B 0039 PHE CG
C B 0039 PHE C 2.416 C B 0040 ASP CA
C B 0039 PHE C 3.172 C B 0040 ASP C
C B 0039 PHE C 3.651 C B 0040 ASP CB
C B 0039 PHE CD1 3.362 H B 0044 VAL CG1
C B 0039 PHE CE1 3.701 H B 0044 VAL CG1
C B 0040 ASP C 2.450 C B 0041 LYS CA
C B 0040 ASP C 3.574 C B 0041 LYS C
C B 0040 ASP C 3.419 C B 0041 LYS CB
C B 0040 ASP C 3.326 C B 0041 LYS CG
C B 0040 ASP CG 3.451 C B 0041 LYS CG
C B 0041 LYS C 2.439 H B 0042 ALA CA
C B 0041 LYS C 3.083 H B 0042 ALA C
C B 0041 LYS C 3.698 H B 0042 ALA CB
C B 0041 LYS CB 3.782 H B 0043 TYR CD2
C B 0041 LYS CB 3.459 H B 0043 TYR CE2
H B 0042 ALA C 2.422 H B 0043 TYR CA
H B 0042 ALA C 3.007 H B 0043 TYR C
H B 0042 ALA C 3.726 H B 0043 TYR CB
H B 0043 TYR C 2.415 H B 0044 VAL CA
H B 0043 TYR C 3.082 H B 0044 VAL C
H B 0043 TYR C 3.691 H B 0044 VAL CB
H B 0043 TYR CD1 3.582 H B 0044 VAL CG2
H B 0043 TYR CE1 3.314 H B 0044 VAL CG2
H B 0044 VAL C 2.442 H B 0045 VAL CA
H B 0044 VAL C 3.091 H B 0045 VAL C
H B 0044 VAL C 3.696 H B 0045 VAL CB
H B 0045 VAL CA 3.793 H B 0046 LEU CA
H B 0045 VAL C 2.404 H B 0046 LEU CA
H B 0045 VAL C 2.887 H B 0046 LEU C
H B 0045 VAL C 3.688 H B 0046 LEU CB
H B 0046 LEU C 2.418 H B 0047 GLY CA
H B 0046 LEU C 2.918 H B 0047 GLY C
H B 0046 LEU CD2 3.611 H B 0084 TRP CZ3
H B 0047 GLY C 2.428 H B 0048 GLN CA
H B 0047 GLY C 2.966 H B 0048 GLN C
H B 0047 GLY C 3.698 H B 0048 GLN CB
H B 0048 GLN C 2.435 H B 0049 PHE CA
H B 0048 GLN C 2.956 H B 0049 PHE C
H B 0048 GLN C 3.695 H B 0049 PHE CB
H B 0049 PHE C 2.415 H B 0050 LEU CA
H B 0049 PHE C 3.012 H B 0050 LEU C
H B 0049 PHE C 3.687 H B 0050 LEU CB
H B 0049 PHE CE1 3.659 C B 0054 LYS CA
H B 0049 PHE CE2 3.642 C B 0054 LYS CG
H B 0049 PHE CZ 3.680 C B 0054 LYS CA
H B 0049 PHE CZ 3.655 C B 0054 LYS CB
H B 0049 PHE CZ 3.588 C B 0054 LYS CG
H B 0050 LEU C 2.421 H B 0051 VAL CA
H B 0050 LEU C 3.036 H B 0051 VAL C
H B 0050 LEU C 3.690 H B 0051 VAL CB
H B 0050 LEU CD2 3.535 C B 0089 LEU CD2
H B 0051 VAL C 2.436 C B 0052 LEU CA
H B 0051 VAL C 3.247 C B 0052 LEU C
H B 0051 VAL C 3.655 C B 0052 LEU CB
C B 0052 LEU C 2.415 C B 0053 LYS CA
C B 0052 LEU C 2.874 C B 0053 LYS C
C B 0052 LEU C 3.046 C B 0053 LYS CB
C B 0052 LEU C 3.630 C B 0053 LYS CG
C B 0052 LEU CD1 3.540 H B 0059 PHE CA
C B 0053 LYS C 2.447 C B 0054 LYS CA
C B 0053 LYS C 3.023 C B 0054 LYS C
C B 0053 LYS C 2.989 C B 0054 LYS CB
C B 0053 LYS C 3.267 C B 0054 LYS CG
C B 0054 LYS C 2.404 C B 0055 ASP CA
C B 0054 LYS C 2.939 C B 0055 ASP C
C B 0054 LYS C 3.700 C B 0055 ASP CB
C B 0055 ASP C 2.435 H B 0056 GLU CA
C B 0055 ASP C 3.048 H B 0056 GLU C
C B 0055 ASP C 3.688 H B 0056 GLU CB
C B 0055 ASP CB 3.700 H B 0058 LEU CB
C B 0055 ASP CB 3.677 H B 0058 LEU CG
C B 0055 ASP CB 3.489 H B 0058 LEU CD1
C B 0055 ASP CG 3.617 H B 0058 LEU CD1
H B 0056 GLU C 2.423 H B 0057 ASP CA
H B 0056 GLU C 3.052 H B 0057 ASP C
H B 0056 GLU C 3.688 H B 0057 ASP CB
H B 0056 GLU CA 3.690 H B 0078 PHE CE1
H B 0056 GLU CB 3.471 H B 0078 PHE CE1
H B 0057 ASP C 2.400 H B 0058 LEU CA
H B 0057 ASP C 3.015 H B 0058 LEU C
H B 0057 ASP C 3.685 H B 0058 LEU CB
H B 0058 LEU C 2.420 H B 0059 PHE CA
H B 0058 LEU C 3.009 H B 0059 PHE C
H B 0058 LEU C 3.693 H B 0059 PHE CB
H B 0059 PHE C 2.418 H B 0060 ARG CA
H B 0059 PHE C 2.976 H B 0060 ARG C
H B 0059 PHE C 3.698 H B 0060 ARG CB
H B 0059 PHE CZ 3.716 H B 0081 LEU CD1
H B 0060 ARG C 2.403 H B 0061 GLU CA
H B 0060 ARG C 2.963 H B 0061 GLU C
H B 0060 ARG C 3.695 H B 0061 GLU CB
H B 0060 ARG CG 3.798 H B 0074 SER CB
H B 0061 GLU C 2.423 H B 0062 TRP CA
H B 0061 GLU C 3.014 H B 0062 TRP C
H B 0061 GLU C 3.708 H B 0062 TRP CB
H B 0062 TRP C 2.414 H B 0063 LEU CA
H B 0062 TRP C 3.022 H B 0063 LEU C
H B 0062 TRP C 3.682 H B 0063 LEU CB
H B 0062 TRP CE3 3.388 H B 0063 LEU CA
H B 0062 TRP CE3 3.717 H B 0063 LEU CB
H B 0063 LEU C 2.417 H B 0064 LYS CA
H B 0063 LEU C 2.997 H B 0064 LYS C
H B 0063 LEU C 3.696 H B 0064 LYS CB
H B 0063 LEU CG 3.752 C B 0069 ALA CB
H B 0063 LEU CD2 3.790 C B 0069 ALA CB
H B 0064 LYS C 2.425 H B 0065 ASP CA
H B 0064 LYS C 3.019 H B 0065 ASP C
H B 0064 LYS C 3.725 H B 0065 ASP CB
H B 0065 ASP C 2.417 H B 0066 THR CA
H B 0065 ASP C 3.151 H B 0066 THR C
H B 0065 ASP C 3.665 H B 0066 THR CB
H B 0066 THR C 2.445 H B 0067 CYS CA
H B 0066 THR C 3.600 H B 0067 CYS C
H B 0066 THR C 3.387 H B 0067 CYS CB
H B 0067 CYS C 2.444 C B 0068 GLY CA
H B 0067 CYS C 3.392 C B 0068 GLY C
C B 0068 GLY C 2.426 C B 0069 ALA CA
C B 0068 GLY C 2.894 C B 0069 ALA C
C B 0068 GLY C 3.695 C B 0069 ALA CB
C B 0069 ALA C 2.432 C B 0070 ASN CA
C B 0069 ALA C 3.245 C B 0070 ASN C
C B 0069 ALA C 3.653 C B 0070 ASN CB
C B 0070 ASN C 2.430 H B 0071 ALA CA
C B 0070 ASN C 2.985 H B 0071 ALA C
C B 0070 ASN C 3.694 H B 0071 ALA CB
H B 0071 ALA C 2.428 H B 0072 LYS CA
H B 0071 ALA C 3.072 H B 0072 LYS C
H B 0071 ALA C 3.700 H B 0072 LYS CB
H B 0072 LYS CA 3.795 H B 0073 GLN CA
H B 0072 LYS C 2.404 H B 0073 GLN CA
H B 0072 LYS C 3.056 H B 0073 GLN C
H B 0072 LYS C 3.642 H B 0073 GLN CB
H B 0073 GLN C 2.407 H B 0074 SER CA
H B 0073 GLN C 3.014 H B 0074 SER C
H B 0073 GLN C 3.688 H B 0074 SER CB
H B 0074 SER C 2.437 H B 0075 ARG CA
H B 0074 SER C 2.984 H B 0075 ARG C
H B 0074 SER C 3.718 H B 0075 ARG CB
H B 0075 ARG C 2.421 H B 0076 ASP CA
H B 0075 ARG C 3.033 H B 0076 ASP C
H B 0075 ARG C 3.686 H B 0076 ASP CB
H B 0076 ASP C 2.411 H B 0077 CYS CA
H B 0076 ASP C 3.037 H B 0077 CYS C
H B 0076 ASP C 3.677 H B 0077 CYS CB
H B 0077 CYS C 2.415 H B 0078 PHE CA
H B 0077 CYS C 2.958 H B 0078 PHE C
H B 0077 CYS C 3.696 H B 0078 PHE CB
H B 0078 PHE C 2.424 H B 0079 GLY CA
H B 0078 PHE C 2.992 H B 0079 GLY C
H B 0078 PHE CE2 3.493 H B 0082 ARG CD
H B 0078 PHE CZ 3.789 H B 0082 ARG CD
H B 0079 GLY C 2.415 H B 0080 CYS CA
H B 0079 GLY C 3.051 H B 0080 CYS C
H B 0079 GLY C 3.684 H B 0080 CYS CB
H B 0080 CYS C 2.412 H B 0081 LEU CA
H B 0080 CYS C 3.030 H B 0081 LEU C
H B 0080 CYS C 3.687 H B 0081 LEU CB
H B 0081 LEU C 2.422 H B 0082 ARG CA
H B 0081 LEU C 3.011 H B 0082 ARG C
H B 0081 LEU C 3.688 H B 0082 ARG CB
H B 0082 ARG C 2.413 H B 0083 GLU CA
H B 0082 ARG C 3.054 H B 0083 GLU C
H B 0082 ARG C 3.696 H B 0083 GLU CB
H B 0083 GLU C 2.418 H B 0084 TRP CA
H B 0083 GLU C 2.931 H B 0084 TRP C
H B 0083 GLU C 3.701 H B 0084 TRP CB
H B 0084 TRP C 2.431 H B 0085 CYS CA
H B 0084 TRP C 2.986 H B 0085 CYS C
H B 0084 TRP C 3.702 H B 0085 CYS CB
H B 0084 TRP CG 3.537 C B 0088 PHE CD2
H B 0084 TRP CD1 3.263 C B 0088 PHE CD2
H B 0084 TRP CD1 3.395 C B 0088 PHE CE2
H B 0084 TRP CD2 3.713 C B 0088 PHE CB
H B 0084 TRP CD2 3.292 C B 0088 PHE CD2
H B 0084 TRP CE2 3.514 C B 0088 PHE CB
H B 0084 TRP CE2 3.252 C B 0088 PHE CG
H B 0084 TRP CE2 2.851 C B 0088 PHE CD2
H B 0084 TRP CE2 3.533 C B 0088 PHE CE2
H B 0084 TRP CE3 3.610 C B 0088 PHE CB
H B 0084 TRP CZ2 3.224 C B 0088 PHE CB
H B 0084 TRP CZ2 3.184 C B 0088 PHE CG
H B 0084 TRP CZ2 3.380 C B 0088 PHE CD2
H B 0084 TRP CZ3 3.315 C B 0088 PHE CB
H B 0084 TRP CH2 3.111 C B 0088 PHE CB
H B 0084 TRP CH2 3.690 C B 0088 PHE CG
H B 0085 CYS C 2.419 H B 0086 ASP CA
H B 0085 CYS C 2.944 H B 0086 ASP C
H B 0085 CYS C 3.694 H B 0086 ASP CB
H B 0086 ASP C 2.430 H B 0087 ALA CA
H B 0086 ASP C 3.288 H B 0087 ALA C
H B 0086 ASP C 3.626 H B 0087 ALA CB
H B 0087 ALA C 2.450 C B 0088 PHE CA
H B 0087 ALA C 3.477 C B 0088 PHE C
H B 0087 ALA C 3.537 C B 0088 PHE CB
H B 0087 ALA C 3.685 C B 0088 PHE CG
C B 0088 PHE C 2.432 C B 0089 LEU CA
C B 0088 PHE C 3.637 C B 0089 LEU C
C B 0088 PHE C 3.243 C B 0089 LEU CB
CHARGE_ATTR 2.00 12.00 112
H B 0009 ASP OD1 10.64 H B 0006 LYS NZ
H B 0009 ASP OD2 8.676 H B 0006 LYS NZ
H B 0009 ASP OD1 9.885 H B 0007 HIS ND1
H B 0009 ASP OD1 9.965 H B 0007 HIS NE2
H B 0009 ASP OD2 10.16 H B 0007 HIS ND1
H B 0009 ASP OD2 10.66 H B 0007 HIS NE2
H B 0009 ASP OD1 8.286 H B 0008 ARG NH1
H B 0009 ASP OD1 9.703 H B 0008 ARG NH2
H B 0009 ASP OD2 9.544 H B 0008 ARG NH1
H B 0009 ASP OD2 10.65 H B 0008 ARG NH2
H B 0009 ASP OD1 8.750 C B 0018 LYS NZ
H B 0009 ASP OD2 8.201 C B 0018 LYS NZ
C B 0013 GLU OE2 11.39 H B 0006 LYS NZ
C B 0013 GLU OE1 4.740 C B 0018 LYS NZ
C B 0013 GLU OE2 3.441 C B 0018 LYS NZ
C B 0017 GLU OE1 11.09 C B 0018 LYS NZ
C B 0017 GLU OE1 4.178 C B 0041 LYS NZ
C B 0017 GLU OE2 5.254 C B 0041 LYS NZ
H B 0028 GLU OE1 8.570 H B 0006 LYS NZ
H B 0028 GLU OE2 6.875 H B 0006 LYS NZ
H B 0028 GLU OE1 9.167 H B 0032 LYS NZ
H B 0028 GLU OE2 10.63 H B 0032 LYS NZ
H B 0035 GLU OE1 7.076 H B 0032 LYS NZ
H B 0035 GLU OE2 8.656 H B 0032 LYS NZ
H B 0035 GLU OE1 10.94 C B 0041 LYS NZ
H B 0035 GLU OE2 9.126 C B 0041 LYS NZ
H B 0036 GLU OE1 8.467 H B 0032 LYS NZ
H B 0036 GLU OE2 6.327 H B 0032 LYS NZ
H B 0036 GLU OE1 8.447 H B 0033 LYS NZ
H B 0036 GLU OE2 8.199 H B 0033 LYS NZ
H B 0036 GLU OE1 8.097 H B 0037 ARG NH1
H B 0036 GLU OE1 8.514 H B 0037 ARG NH2
H B 0036 GLU OE2 9.933 H B 0037 ARG NH1
H B 0036 GLU OE2 10.10 H B 0037 ARG NH2
C B 0040 ASP OD1 6.171 C B 0041 LYS NZ
C B 0040 ASP OD2 5.137 C B 0041 LYS NZ
C B 0055 ASP OD1 8.228 C B 0053 LYS NZ
C B 0055 ASP OD2 6.666 C B 0053 LYS NZ
C B 0055 ASP OD1 10.82 C B 0054 LYS NZ
C B 0055 ASP OD2 11.30 C B 0054 LYS NZ
C B 0055 ASP OD1 11.86 H B 0060 ARG NH1
C B 0055 ASP OD1 11.58 H B 0060 ARG NH2
C B 0055 ASP OD1 10.55 H B 0082 ARG NH1
C B 0055 ASP OD1 11.63 H B 0082 ARG NH2
H B 0056 GLU OE1 11.91 C B 0054 LYS NZ
H B 0056 GLU OE1 5.624 H B 0060 ARG NH1
H B 0056 GLU OE1 6.938 H B 0060 ARG NH2
H B 0056 GLU OE2 3.883 H B 0060 ARG NH1
H B 0056 GLU OE2 5.638 H B 0060 ARG NH2
H B 0056 GLU OE1 9.771 H B 0075 ARG NH1
H B 0056 GLU OE1 9.147 H B 0075 ARG NH2
H B 0056 GLU OE2 7.947 H B 0075 ARG NH1
H B 0056 GLU OE2 7.350 H B 0075 ARG NH2
H B 0056 GLU OE1 5.904 H B 0082 ARG NH1
H B 0056 GLU OE1 8.032 H B 0082 ARG NH2
H B 0056 GLU OE2 7.336 H B 0082 ARG NH1
H B 0056 GLU OE2 9.555 H B 0082 ARG NH2
H B 0057 ASP OD1 5.057 H B 0060 ARG NH1
H B 0057 ASP OD1 4.129 H B 0060 ARG NH2
H B 0057 ASP OD2 7.118 H B 0060 ARG NH1
H B 0057 ASP OD2 6.023 H B 0060 ARG NH2
H B 0057 ASP OD1 11.65 H B 0075 ARG NH1
H B 0057 ASP OD1 10.05 H B 0075 ARG NH2
H B 0057 ASP OD2 11.80 H B 0075 ARG NH2
H B 0057 ASP OD1 11.19 H B 0082 ARG NH1
H B 0057 ASP OD2 11.95 H B 0082 ARG NH1
H B 0061 GLU OE1 9.553 H B 0060 ARG NH1
H B 0061 GLU OE1 7.668 H B 0060 ARG NH2
H B 0061 GLU OE2 11.40 H B 0060 ARG NH1
H B 0061 GLU OE2 9.496 H B 0060 ARG NH2
H B 0061 GLU OE1 9.525 H B 0064 LYS NZ
H B 0061 GLU OE2 9.514 H B 0064 LYS NZ
H B 0065 ASP OD1 8.935 H B 0037 ARG NH1
H B 0065 ASP OD1 7.278 H B 0037 ARG NH2
H B 0065 ASP OD2 10.25 H B 0037 ARG NH1
H B 0065 ASP OD2 8.791 H B 0037 ARG NH2
H B 0065 ASP OD1 8.511 H B 0064 LYS NZ
H B 0065 ASP OD2 8.550 H B 0064 LYS NZ
H B 0076 ASP OD2 11.57 H B 0006 LYS NZ
H B 0076 ASP OD1 6.660 H B 0007 HIS ND1
H B 0076 ASP OD1 7.894 H B 0007 HIS NE2
H B 0076 ASP OD2 7.698 H B 0007 HIS ND1
H B 0076 ASP OD2 9.257 H B 0007 HIS NE2
H B 0076 ASP OD1 10.89 H B 0060 ARG NH1
H B 0076 ASP OD2 11.81 H B 0060 ARG NH1
H B 0076 ASP OD1 8.457 H B 0072 LYS NZ
H B 0076 ASP OD2 7.913 H B 0072 LYS NZ
H B 0076 ASP OD1 8.055 H B 0075 ARG NH1
H B 0076 ASP OD1 9.769 H B 0075 ARG NH2
H B 0076 ASP OD2 9.130 H B 0075 ARG NH1
H B 0076 ASP OD2 10.73 H B 0075 ARG NH2
H B 0083 GLU OE1 4.657 H B 0007 HIS ND1
H B 0083 GLU OE1 2.984 H B 0007 HIS NE2
H B 0083 GLU OE2 5.696 H B 0007 HIS ND1
H B 0083 GLU OE2 4.006 H B 0007 HIS NE2
H B 0083 GLU OE1 9.766 H B 0008 ARG NH1
H B 0083 GLU OE1 9.555 H B 0008 ARG NH2
H B 0083 GLU OE2 10.54 H B 0008 ARG NH1
H B 0083 GLU OE2 9.959 H B 0008 ARG NH2
H B 0083 GLU OE1 9.875 H B 0082 ARG NH1
H B 0083 GLU OE1 10.02 H B 0082 ARG NH2
H B 0083 GLU OE2 8.382 H B 0082 ARG NH1
H B 0083 GLU OE2 8.575 H B 0082 ARG NH2
H B 0086 ASP OD1 11.28 H B 0007 HIS NE2
H B 0086 ASP OD2 10.52 H B 0007 HIS ND1
H B 0086 ASP OD2 9.461 H B 0007 HIS NE2
H B 0086 ASP OD1 4.865 C B 0054 LYS NZ
H B 0086 ASP OD2 6.629 C B 0054 LYS NZ
H B 0086 ASP OD1 7.264 H B 0082 ARG NH1
H B 0086 ASP OD1 6.114 H B 0082 ARG NH2
H B 0086 ASP OD2 6.544 H B 0082 ARG NH1
H B 0086 ASP OD2 5.539 H B 0082 ARG NH2
CHARGE_REPU 2.00 12.00 79
H B 0006 LYS NZ 11.86 H B 0007 HIS ND1
H B 0006 LYS NZ 10.52 C B 0018 LYS NZ
H B 0007 HIS ND1 9.896 H B 0008 ARG NH1
H B 0007 HIS ND1 9.347 H B 0008 ARG NH2
H B 0007 HIS NE2 8.566 H B 0008 ARG NH1
H B 0007 HIS NE2 8.043 H B 0008 ARG NH2
H B 0007 HIS NE2 11.60 H B 0082 ARG NH1
H B 0009 ASP OD1 7.080 C B 0013 GLU OE1
H B 0009 ASP OD1 6.001 C B 0013 GLU OE2
H B 0009 ASP OD2 7.599 C B 0013 GLU OE1
H B 0009 ASP OD2 6.111 C B 0013 GLU OE2
H B 0009 ASP OD1 11.35 H B 0083 GLU OE1
C B 0017 GLU OE1 9.801 C B 0040 ASP OD1
C B 0017 GLU OE1 9.101 C B 0040 ASP OD2
C B 0017 GLU OE2 10.01 C B 0040 ASP OD1
C B 0017 GLU OE2 9.509 C B 0040 ASP OD2
H B 0028 GLU OE1 11.70 H B 0035 GLU OE1
H B 0028 GLU OE1 11.52 H B 0035 GLU OE2
H B 0028 GLU OE2 11.48 H B 0035 GLU OE2
H B 0032 LYS NZ 9.738 H B 0033 LYS NZ
H B 0033 LYS NZ 10.47 H B 0037 ARG NH1
H B 0033 LYS NZ 8.881 H B 0037 ARG NH2
H B 0035 GLU OE1 8.264 H B 0036 GLU OE1
H B 0035 GLU OE1 6.964 H B 0036 GLU OE2
H B 0035 GLU OE2 10.03 H B 0036 GLU OE1
H B 0035 GLU OE2 8.878 H B 0036 GLU OE2
H B 0035 GLU OE1 8.436 C B 0040 ASP OD1
H B 0035 GLU OE1 8.009 C B 0040 ASP OD2
H B 0035 GLU OE2 7.066 C B 0040 ASP OD1
H B 0035 GLU OE2 6.718 C B 0040 ASP OD2
C B 0054 LYS NZ 7.889 H B 0082 ARG NH1
C B 0054 LYS NZ 7.267 H B 0082 ARG NH2
C B 0055 ASP OD1 8.613 H B 0056 GLU OE1
C B 0055 ASP OD1 10.15 H B 0056 GLU OE2
C B 0055 ASP OD2 10.35 H B 0056 GLU OE1
C B 0055 ASP OD2 11.71 H B 0056 GLU OE2
C B 0055 ASP OD1 7.740 H B 0057 ASP OD1
C B 0055 ASP OD1 6.926 H B 0057 ASP OD2
C B 0055 ASP OD2 9.082 H B 0057 ASP OD1
C B 0055 ASP OD2 8.311 H B 0057 ASP OD2
C B 0055 ASP OD1 10.69 H B 0061 GLU OE1
C B 0055 ASP OD2 10.63 H B 0061 GLU OE1
H B 0056 GLU OE1 5.622 H B 0057 ASP OD1
H B 0056 GLU OE1 6.884 H B 0057 ASP OD2
H B 0056 GLU OE2 5.708 H B 0057 ASP OD1
H B 0056 GLU OE2 7.458 H B 0057 ASP OD2
H B 0056 GLU OE1 12.00 H B 0061 GLU OE1
H B 0056 GLU OE2 11.60 H B 0061 GLU OE1
H B 0056 GLU OE1 11.92 H B 0076 ASP OD1
H B 0056 GLU OE2 10.28 H B 0076 ASP OD1
H B 0056 GLU OE2 11.71 H B 0076 ASP OD2
H B 0056 GLU OE2 12.00 H B 0083 GLU OE2
H B 0056 GLU OE1 11.97 H B 0086 ASP OD2
H B 0057 ASP OD1 6.996 H B 0061 GLU OE1
H B 0057 ASP OD1 9.146 H B 0061 GLU OE2
H B 0057 ASP OD2 7.198 H B 0061 GLU OE1
H B 0057 ASP OD2 9.297 H B 0061 GLU OE2
H B 0060 ARG NH1 9.966 H B 0064 LYS NZ
H B 0060 ARG NH2 8.867 H B 0064 LYS NZ
H B 0060 ARG NH1 6.920 H B 0075 ARG NH1
H B 0060 ARG NH1 5.514 H B 0075 ARG NH2
H B 0060 ARG NH2 8.647 H B 0075 ARG NH1
H B 0060 ARG NH2 6.893 H B 0075 ARG NH2
H B 0060 ARG NH1 11.21 H B 0082 ARG NH1
H B 0061 GLU OE1 8.582 H B 0065 ASP OD1
H B 0061 GLU OE1 6.544 H B 0065 ASP OD2
H B 0061 GLU OE2 7.015 H B 0065 ASP OD1
H B 0061 GLU OE2 4.909 H B 0065 ASP OD2
H B 0064 LYS NZ 11.74 H B 0075 ARG NH2
H B 0072 LYS NZ 7.643 H B 0075 ARG NH1
H B 0072 LYS NZ 9.113 H B 0075 ARG NH2
H B 0076 ASP OD1 10.08 H B 0083 GLU OE1
H B 0076 ASP OD1 9.756 H B 0083 GLU OE2
H B 0076 ASP OD2 11.66 H B 0083 GLU OE1
H B 0076 ASP OD2 11.59 H B 0083 GLU OE2
H B 0083 GLU OE1 8.541 H B 0086 ASP OD1
H B 0083 GLU OE1 6.664 H B 0086 ASP OD2
H B 0083 GLU OE2 8.395 H B 0086 ASP OD1
H B 0083 GLU OE2 6.319 H B 0086 ASP OD2
HB_MM 2.00 3.20 159
C B 0002 THR N 2.197 C B 0001 MET O
C B 0003 THR N 2.194 C B 0002 THR O
C B 0004 SER N 2.186 C B 0003 THR O
H B 0005 GLN N 2.202 C B 0004 SER O
H B 0006 LYS N 2.864 C B 0004 SER O
H B 0006 LYS N 2.192 H B 0005 GLN O
H B 0007 HIS N 2.995 C B 0004 SER O
H B 0007 HIS N 2.191 H B 0006 LYS O
H B 0008 ARG N 2.201 H B 0007 HIS O
H B 0009 ASP N 2.853 H B 0005 GLN O
H B 0009 ASP N 3.148 H B 0006 LYS O
H B 0009 ASP N 2.190 H B 0008 ARG O
H B 0010 PHE N 2.665 H B 0006 LYS O
H B 0010 PHE N 2.185 H B 0009 ASP O
H B 0011 VAL N 2.194 H B 0010 PHE O
H B 0012 ALA N 3.186 H B 0008 ARG O
H B 0012 ALA N 3.184 H B 0009 ASP O
H B 0012 ALA N 3.153 H B 0010 PHE O
H B 0012 ALA N 2.205 H B 0011 VAL O
C B 0013 GLU N 2.195 H B 0012 ALA O
C B 0014 PRO N 2.204 C B 0013 GLU O
C B 0015 MET N 2.198 C B 0014 PRO O
C B 0016 GLY N 2.191 C B 0015 MET O
C B 0017 GLU N 2.206 C B 0016 GLY O
C B 0018 LYS N 2.192 C B 0017 GLU O
C B 0019 PRO N 2.209 C B 0018 LYS O
H B 0020 VAL N 2.203 C B 0019 PRO O
H B 0021 GLY N 3.161 C B 0019 PRO O
H B 0021 GLY N 2.198 H B 0020 VAL O
H B 0022 SER N 2.762 C B 0019 PRO O
H B 0022 SER N 2.530 H B 0020 VAL O
H B 0022 SER N 2.192 H B 0021 GLY O
C B 0023 LEU N 2.801 H B 0020 VAL O
C B 0023 LEU N 2.196 H B 0022 SER O
C B 0024 ALA N 2.195 C B 0023 LEU O
C B 0025 GLY N 2.203 C B 0024 ALA O
C B 0026 ILE N 2.200 C B 0025 GLY O
C B 0027 GLY N 2.196 C B 0026 ILE O
H B 0028 GLU N 2.194 C B 0027 GLY O
H B 0029 VAL N 2.192 H B 0028 GLU O
H B 0030 LEU N 3.194 C B 0027 GLY O
H B 0030 LEU N 2.196 H B 0029 VAL O
H B 0031 GLY N 2.734 C B 0027 GLY O
H B 0031 GLY N 2.191 H B 0030 LEU O
H B 0032 LYS N 3.193 H B 0028 GLU O
H B 0032 LYS N 3.042 H B 0030 LEU O
H B 0032 LYS N 2.200 H B 0031 GLY O
H B 0033 LYS N 3.072 H B 0030 LEU O
H B 0033 LYS N 2.194 H B 0032 LYS O
H B 0034 LEU N 2.190 H B 0033 LYS O
H B 0035 GLU N 3.052 H B 0031 GLY O
H B 0035 GLU N 2.193 H B 0034 LEU O
H B 0036 GLU N 3.097 H B 0032 LYS O
H B 0036 GLU N 3.117 H B 0033 LYS O
H B 0036 GLU N 2.198 H B 0035 GLU O
H B 0037 ARG N 3.116 H B 0033 LYS O
H B 0037 ARG N 2.809 H B 0034 LEU O
H B 0037 ARG N 3.089 H B 0035 GLU O
H B 0037 ARG N 2.196 H B 0036 GLU O
C B 0038 GLY N 3.053 H B 0035 GLU O
C B 0038 GLY N 2.202 H B 0037 ARG O
C B 0039 PHE N 3.033 H B 0034 LEU O
C B 0039 PHE N 2.198 C B 0038 GLY O
C B 0040 ASP N 2.195 C B 0039 PHE O
C B 0041 LYS N 2.205 C B 0040 ASP O
H B 0042 ALA N 2.199 C B 0041 LYS O
H B 0043 TYR N 2.191 H B 0042 ALA O
H B 0044 VAL N 2.956 H B 0042 ALA O
H B 0044 VAL N 2.188 H B 0043 TYR O
H B 0045 VAL N 2.844 H B 0042 ALA O
H B 0045 VAL N 2.210 H B 0044 VAL O
H B 0046 LEU N 2.883 H B 0042 ALA O
H B 0046 LEU N 2.194 H B 0045 VAL O
H B 0047 GLY N 3.168 H B 0045 VAL O
H B 0047 GLY N 2.196 H B 0046 LEU O
H B 0048 GLN N 2.933 H B 0045 VAL O
H B 0048 GLN N 3.157 H B 0046 LEU O
H B 0048 GLN N 2.197 H B 0047 GLY O
H B 0049 PHE N 3.182 H B 0045 VAL O
H B 0049 PHE N 2.943 H B 0046 LEU O
H B 0049 PHE N 2.200 H B 0048 GLN O
H B 0050 LEU N 2.945 H B 0046 LEU O
H B 0050 LEU N 3.056 H B 0047 GLY O
H B 0050 LEU N 2.194 H B 0049 PHE O
H B 0051 VAL N 2.843 H B 0047 GLY O
H B 0051 VAL N 3.035 H B 0048 GLN O
H B 0051 VAL N 2.192 H B 0050 LEU O
C B 0052 LEU N 2.999 H B 0048 GLN O
C B 0052 LEU N 2.197 H B 0051 VAL O
C B 0053 LYS N 3.145 H B 0050 LEU O
C B 0053 LYS N 2.187 C B 0052 LEU O
C B 0054 LYS N 2.848 C B 0052 LEU O
C B 0054 LYS N 2.203 C B 0053 LYS O
C B 0055 ASP N 2.662 C B 0052 LEU O
C B 0055 ASP N 3.008 C B 0053 LYS O
C B 0055 ASP N 2.186 C B 0054 LYS O
H B 0056 GLU N 2.809 C B 0054 LYS O
H B 0056 GLU N 2.198 C B 0055 ASP O
H B 0057 ASP N 2.188 H B 0056 GLU O
H B 0058 LEU N 2.187 H B 0057 ASP O
H B 0059 PHE N 2.849 C B 0055 ASP O
H B 0059 PHE N 2.196 H B 0058 LEU O
H B 0060 ARG N 2.930 H B 0056 GLU O
H B 0060 ARG N 2.199 H B 0059 PHE O
H B 0061 GLU N 3.094 H B 0057 ASP O
H B 0061 GLU N 2.189 H B 0060 ARG O
H B 0062 TRP N 2.924 H B 0058 LEU O
H B 0062 TRP N 3.080 H B 0059 PHE O
H B 0062 TRP N 2.184 H B 0061 GLU O
H B 0063 LEU N 2.936 H B 0059 PHE O
H B 0063 LEU N 2.189 H B 0062 TRP O
H B 0064 LYS N 2.972 H B 0060 ARG O
H B 0064 LYS N 2.192 H B 0063 LEU O
H B 0065 ASP N 2.870 H B 0061 GLU O
H B 0065 ASP N 2.195 H B 0064 LYS O
H B 0066 THR N 2.865 H B 0062 TRP O
H B 0066 THR N 3.171 H B 0063 LEU O
H B 0066 THR N 2.194 H B 0065 ASP O
H B 0067 CYS N 2.876 H B 0063 LEU O
H B 0067 CYS N 2.200 H B 0066 THR O
C B 0068 GLY N 2.654 H B 0064 LYS O
C B 0068 GLY N 2.202 H B 0067 CYS O
C B 0069 ALA N 2.197 C B 0068 GLY O
C B 0070 ASN N 2.197 C B 0069 ALA O
H B 0071 ALA N 2.201 C B 0070 ASN O
H B 0072 LYS N 3.155 C B 0070 ASN O
H B 0072 LYS N 2.192 H B 0071 ALA O
H B 0073 GLN N 2.190 H B 0072 LYS O
H B 0074 SER N 3.144 C B 0070 ASN O
H B 0074 SER N 2.191 H B 0073 GLN O
H B 0075 ARG N 2.204 H B 0074 SER O
H B 0076 ASP N 2.190 H B 0075 ARG O
H B 0077 CYS N 2.191 H B 0076 ASP O
H B 0078 PHE N 2.945 H B 0074 SER O
H B 0078 PHE N 2.193 H B 0077 CYS O
H B 0079 GLY N 2.195 H B 0078 PHE O
H B 0080 CYS N 2.923 H B 0076 ASP O
H B 0080 CYS N 3.178 H B 0078 PHE O
H B 0080 CYS N 2.189 H B 0079 GLY O
H B 0081 LEU N 2.749 H B 0077 CYS O
H B 0081 LEU N 2.194 H B 0080 CYS O
H B 0082 ARG N 2.744 H B 0078 PHE O
H B 0082 ARG N 2.196 H B 0081 LEU O
H B 0083 GLU N 2.935 H B 0079 GLY O
H B 0083 GLU N 2.192 H B 0082 ARG O
H B 0084 TRP N 3.183 H B 0080 CYS O
H B 0084 TRP N 2.191 H B 0083 GLU O
H B 0085 CYS N 3.154 H B 0081 LEU O
H B 0085 CYS N 2.202 H B 0084 TRP O
H B 0086 ASP N 3.126 H B 0082 ARG O
H B 0086 ASP N 3.105 H B 0083 GLU O
H B 0086 ASP N 2.194 H B 0085 CYS O
H B 0087 ALA N 3.011 H B 0084 TRP O
H B 0087 ALA N 3.062 H B 0085 CYS O
H B 0087 ALA N 2.199 H B 0086 ASP O
C B 0088 PHE N 2.703 H B 0084 TRP O
C B 0088 PHE N 2.204 H B 0087 ALA O
C B 0089 LEU N 2.487 H B 0085 CYS O
C B 0089 LEU N 2.189 C B 0088 PHE O
HB_MS 2.00 3.20 4
C B 0041 LYS N 2.781 C B 0040 ASP OD1
H B 0062 TRP O 2.352 H B 0066 THR OG1
H B 0066 THR O 3.134 H B 0037 ARG NH2
C B 0070 ASN O 2.450 H B 0074 SER OG
AROMATIC 0.00 8.00 6
C B 0039 PHE 5.763 H B 0062 TRP
C B 0041 LYS 7.029 H B 0043 TYR
H B 0082 ARG 4.896 H B 0078 PHE
H B 0084 TRP 4.286 C B 0088 PHE
H B 0049 PHE 5.987 H B 0059 PHE
C B 0054 LYS 6.711 H B 0049 PHE