Complet list of 1ced con file
Complete list of 1ced.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 353
C A 0001 GLU C 2.481 C A 0002 ALA CA
C A 0001 GLU C 2.968 C A 0002 ALA C
C A 0001 GLU C 3.207 C A 0002 ALA CB
C A 0002 ALA C 2.454 C A 0003 ASP CA
C A 0002 ALA C 3.141 C A 0003 ASP C
C A 0002 ALA C 3.703 C A 0003 ASP CB
C A 0002 ALA CB 3.682 H A 0074 ALA CB
C A 0002 ALA CA 3.744 H A 0075 GLY CA
C A 0002 ALA C 3.680 H A 0075 GLY CA
C A 0003 ASP C 2.474 H A 0004 LEU CA
C A 0003 ASP C 3.184 H A 0004 LEU C
C A 0003 ASP C 3.707 H A 0004 LEU CB
H A 0004 LEU C 2.443 H A 0005 ALA CA
H A 0004 LEU C 3.094 H A 0005 ALA C
H A 0004 LEU C 3.714 H A 0005 ALA CB
H A 0004 LEU CD2 3.797 H A 0078 ALA C
H A 0004 LEU CD2 3.798 H A 0078 ALA CB
H A 0005 ALA C 2.463 H A 0006 LEU CA
H A 0005 ALA C 2.919 H A 0006 LEU C
H A 0005 ALA C 3.695 H A 0006 LEU CB
H A 0006 LEU C 2.452 H A 0007 GLY CA
H A 0006 LEU C 2.961 H A 0007 GLY C
H A 0007 GLY C 2.434 H A 0008 LYS CA
H A 0007 GLY C 2.985 H A 0008 LYS C
H A 0007 GLY C 3.723 H A 0008 LYS CB
H A 0007 GLY CA 3.476 H A 0075 GLY C
H A 0007 GLY CA 3.745 H A 0076 VAL CA
H A 0008 LYS C 2.455 H A 0009 ALA CA
H A 0008 LYS C 2.952 H A 0009 ALA C
H A 0008 LYS C 3.721 H A 0009 ALA CB
H A 0008 LYS CG 3.688 H A 0012 ASP CG
H A 0008 LYS CB 3.682 H A 0079 TYR CE1
H A 0009 ALA C 2.441 H A 0010 VAL CA
H A 0009 ALA C 2.978 H A 0010 VAL C
H A 0009 ALA C 3.714 H A 0010 VAL CB
H A 0010 VAL C 2.476 H A 0011 PHE CA
H A 0010 VAL C 2.971 H A 0011 PHE C
H A 0010 VAL C 3.728 H A 0011 PHE CB
H A 0010 VAL CG2 3.313 H A 0072 GLU CG
H A 0010 VAL CG1 3.672 H A 0076 VAL CG2
H A 0011 PHE C 2.488 H A 0012 ASP CA
H A 0011 PHE C 2.990 H A 0012 ASP C
H A 0011 PHE C 3.702 H A 0012 ASP CB
H A 0011 PHE CD1 3.437 C A 0015 CYS CB
H A 0011 PHE CE1 3.609 C A 0015 CYS CB
H A 0011 PHE CE1 3.557 C A 0032 LEU CD1
H A 0011 PHE CB 3.703 H A 0079 TYR CE2
H A 0011 PHE CG 3.580 H A 0079 TYR CE2
H A 0011 PHE CZ 3.603 C A 0089 TRP CH2
H A 0012 ASP C 2.445 H A 0013 GLY CA
H A 0012 ASP C 3.230 H A 0013 GLY C
H A 0013 GLY CA 3.798 H A 0014 ASN CA
H A 0013 GLY C 2.463 H A 0014 ASN CA
H A 0013 GLY C 3.419 H A 0014 ASN C
H A 0013 GLY C 3.604 H A 0014 ASN CB
H A 0014 ASN C 2.465 C A 0015 CYS CA
H A 0014 ASN C 3.363 C A 0015 CYS C
H A 0014 ASN C 3.576 C A 0015 CYS CB
H A 0014 ASN CB 3.780 C A 0064 TRP CH2
C A 0015 CYS C 2.487 H A 0016 ALA CA
C A 0015 CYS C 2.985 H A 0016 ALA C
C A 0015 CYS C 3.720 H A 0016 ALA CB
H A 0016 ALA C 2.481 H A 0017 ALA CA
H A 0016 ALA C 2.953 H A 0017 ALA C
H A 0016 ALA C 3.712 H A 0017 ALA CB
H A 0017 ALA C 2.468 H A 0018 CYS CA
H A 0017 ALA C 3.455 H A 0018 CYS C
H A 0017 ALA C 3.546 H A 0018 CYS CB
H A 0018 CYS C 2.472 H A 0019 HIS CA
H A 0018 CYS C 3.529 H A 0019 HIS C
H A 0018 CYS C 3.519 H A 0019 HIS CB
H A 0018 CYS C 3.658 H A 0019 HIS CG
H A 0019 HIS C 2.513 C A 0020 ALA CA
H A 0019 HIS C 2.973 C A 0020 ALA C
H A 0019 HIS C 3.556 C A 0020 ALA CB
H A 0019 HIS CA 3.696 C A 0023 GLY C
H A 0019 HIS CB 3.767 C A 0032 LEU CD1
H A 0019 HIS CE1 3.577 C A 0032 LEU CD2
C A 0020 ALA C 2.479 C A 0021 GLY CA
C A 0020 ALA C 3.473 C A 0021 GLY C
C A 0021 GLY C 2.461 C A 0022 GLY CA
C A 0021 GLY C 3.102 C A 0022 GLY C
C A 0021 GLY C 3.495 C A 0089 TRP CE3
C A 0022 GLY C 2.482 C A 0023 GLY CA
C A 0022 GLY C 3.404 C A 0023 GLY C
C A 0022 GLY CA 3.650 C A 0089 TRP CD2
C A 0022 GLY CA 3.634 C A 0089 TRP CE3
C A 0023 GLY C 2.463 C A 0024 ASN CA
C A 0023 GLY C 2.982 C A 0024 ASN C
C A 0023 GLY C 3.703 C A 0024 ASN CB
C A 0024 ASN C 2.457 C A 0025 ASN CA
C A 0024 ASN C 3.225 C A 0025 ASN C
C A 0024 ASN C 3.696 C A 0025 ASN CB
C A 0024 ASN CB 3.626 C A 0030 HIS C
C A 0025 ASN C 2.449 C A 0026 VAL CA
C A 0025 ASN C 3.200 C A 0026 VAL C
C A 0025 ASN C 3.676 C A 0026 VAL CB
C A 0026 VAL C 2.477 C A 0027 ILE CA
C A 0026 VAL C 3.444 C A 0027 ILE C
C A 0026 VAL C 3.528 C A 0027 ILE CB
C A 0026 VAL C 3.528 C A 0027 ILE CG1
C A 0027 ILE CA 2.933 C A 0028 PRO CD
C A 0027 ILE C 2.496 C A 0028 PRO CA
C A 0027 ILE C 3.045 C A 0028 PRO C
C A 0027 ILE C 3.670 C A 0028 PRO CB
C A 0027 ILE C 3.697 C A 0028 PRO CG
C A 0027 ILE C 2.488 C A 0028 PRO CD
C A 0027 ILE CG2 3.679 C A 0030 HIS CB
C A 0028 PRO C 2.479 C A 0029 ASP CA
C A 0028 PRO C 3.296 C A 0029 ASP C
C A 0028 PRO C 3.662 C A 0029 ASP CB
C A 0029 ASP C 2.461 C A 0030 HIS CA
C A 0029 ASP C 3.217 C A 0030 HIS C
C A 0029 ASP C 3.640 C A 0030 HIS CB
C A 0030 HIS C 2.502 C A 0031 THR CA
C A 0030 HIS C 3.207 C A 0031 THR C
C A 0030 HIS C 3.704 C A 0031 THR CB
C A 0030 HIS CE1 3.358 H A 0040 PHE CB
C A 0031 THR C 2.453 C A 0032 LEU CA
C A 0031 THR C 3.206 C A 0032 LEU C
C A 0031 THR C 3.697 C A 0032 LEU CB
C A 0032 LEU C 2.463 C A 0033 GLN CA
C A 0032 LEU C 3.229 C A 0033 GLN C
C A 0032 LEU C 3.682 C A 0033 GLN CB
C A 0033 GLN C 2.444 H A 0034 LYS CA
C A 0033 GLN C 2.904 H A 0034 LYS C
C A 0033 GLN C 3.704 H A 0034 LYS CB
C A 0033 GLN CB 3.796 H A 0036 ALA CB
H A 0034 LYS C 2.455 H A 0035 ALA CA
H A 0034 LYS C 2.985 H A 0035 ALA C
H A 0034 LYS C 3.708 H A 0035 ALA CB
H A 0034 LYS CG 3.752 H A 0038 GLU CD
H A 0035 ALA C 2.448 H A 0036 ALA CA
H A 0035 ALA C 3.075 H A 0036 ALA C
H A 0035 ALA C 3.697 H A 0036 ALA CB
H A 0036 ALA CA 3.781 H A 0037 ILE CA
H A 0036 ALA C 2.435 H A 0037 ILE CA
H A 0036 ALA C 2.928 H A 0037 ILE C
H A 0036 ALA C 3.713 H A 0037 ILE CB
H A 0036 ALA C 3.794 H A 0040 PHE CD2
H A 0037 ILE C 2.420 H A 0038 GLU CA
H A 0037 ILE C 3.029 H A 0038 GLU C
H A 0037 ILE C 3.693 H A 0038 GLU CB
H A 0037 ILE CG2 3.577 C A 0045 PHE CA
H A 0037 ILE CG2 3.721 C A 0045 PHE CD1
H A 0037 ILE CD1 3.711 H A 0050 ILE CD1
H A 0038 GLU C 2.439 H A 0039 GLN CA
H A 0038 GLU C 3.124 H A 0039 GLN C
H A 0038 GLU C 3.693 H A 0039 GLN CB
H A 0038 GLU CG 3.558 C A 0045 PHE CB
H A 0039 GLN C 2.451 H A 0040 PHE CA
H A 0039 GLN C 3.220 H A 0040 PHE C
H A 0039 GLN C 3.691 H A 0040 PHE CB
H A 0040 PHE C 2.441 C A 0041 LEU CA
H A 0040 PHE C 3.054 C A 0041 LEU C
H A 0040 PHE C 3.718 C A 0041 LEU CB
C A 0041 LEU CA 3.761 C A 0042 ASP CA
C A 0041 LEU C 2.497 C A 0042 ASP CA
C A 0041 LEU C 2.902 C A 0042 ASP C
C A 0041 LEU C 3.577 C A 0042 ASP CB
C A 0041 LEU C 3.597 C A 0042 ASP CG
C A 0042 ASP C 2.457 C A 0043 GLY CA
C A 0042 ASP C 3.266 C A 0043 GLY C
C A 0043 GLY C 2.461 C A 0044 GLY CA
C A 0043 GLY C 3.183 C A 0044 GLY C
C A 0043 GLY CA 3.644 H A 0049 ALA CB
C A 0043 GLY C 3.537 H A 0049 ALA CB
C A 0044 GLY C 2.461 C A 0045 PHE CA
C A 0044 GLY C 3.121 C A 0045 PHE C
C A 0044 GLY C 3.745 C A 0045 PHE CB
C A 0045 PHE C 2.469 C A 0046 ASN CA
C A 0045 PHE C 3.588 C A 0046 ASN C
C A 0045 PHE C 3.378 C A 0046 ASN CB
C A 0045 PHE C 3.372 C A 0046 ASN CG
C A 0045 PHE C 3.588 H A 0081 TYR CE1
C A 0045 PHE CG 3.696 H A 0081 TYR CE1
C A 0045 PHE CD1 3.517 H A 0081 TYR CE1
C A 0045 PHE CD2 3.520 H A 0081 TYR CZ
C A 0045 PHE CE1 3.532 H A 0081 TYR CD1
C A 0045 PHE CE1 3.538 H A 0081 TYR CE1
C A 0045 PHE CE2 3.574 H A 0081 TYR CE2
C A 0045 PHE CE2 3.375 H A 0081 TYR CZ
C A 0045 PHE CZ 3.787 H A 0081 TYR CD2
C A 0045 PHE CZ 3.730 H A 0081 TYR CE1
C A 0045 PHE CZ 3.630 H A 0081 TYR CE2
C A 0045 PHE CZ 3.590 H A 0081 TYR CZ
C A 0045 PHE CE1 3.748 H A 0084 ALA CB
C A 0046 ASN C 2.447 H A 0047 ILE CA
C A 0046 ASN C 2.971 H A 0047 ILE C
C A 0046 ASN C 3.720 H A 0047 ILE CB
C A 0046 ASN CB 3.735 H A 0048 GLU CD
H A 0047 ILE C 2.481 H A 0048 GLU CA
H A 0047 ILE C 2.925 H A 0048 GLU C
H A 0047 ILE C 3.709 H A 0048 GLU CB
H A 0047 ILE CD1 3.564 H A 0081 TYR CB
H A 0047 ILE CD1 3.500 H A 0081 TYR CG
H A 0047 ILE CD1 3.634 H A 0081 TYR CD1
H A 0048 GLU C 2.465 H A 0049 ALA CA
H A 0048 GLU C 3.014 H A 0049 ALA C
H A 0048 GLU C 3.730 H A 0049 ALA CB
H A 0049 ALA C 2.440 H A 0050 ILE CA
H A 0049 ALA C 2.941 H A 0050 ILE C
H A 0049 ALA C 3.727 H A 0050 ILE CB
H A 0050 ILE C 2.462 H A 0051 VAL CA
H A 0050 ILE C 2.944 H A 0051 VAL C
H A 0050 ILE C 3.719 H A 0051 VAL CB
H A 0050 ILE CG2 3.735 H A 0054 ILE CD1
H A 0050 ILE CG2 3.631 H A 0077 ALA CA
H A 0050 ILE CG2 3.579 H A 0077 ALA CB
H A 0051 VAL C 2.467 H A 0052 TYR CA
H A 0051 VAL C 2.977 H A 0052 TYR C
H A 0051 VAL C 3.716 H A 0052 TYR CB
H A 0051 VAL CG1 3.595 H A 0073 ILE CG2
H A 0051 VAL CG2 3.246 H A 0077 ALA CB
H A 0052 TYR C 2.434 H A 0053 GLN CA
H A 0052 TYR C 2.968 H A 0053 GLN C
H A 0052 TYR C 3.724 H A 0053 GLN CB
H A 0053 GLN C 2.458 H A 0054 ILE CA
H A 0053 GLN C 2.998 H A 0054 ILE C
H A 0053 GLN C 3.743 H A 0054 ILE CB
H A 0053 GLN CD 3.712 C A 0058 LYS CB
H A 0053 GLN CG 3.468 C A 0061 MET CE
H A 0054 ILE C 2.443 H A 0055 GLU CA
H A 0054 ILE C 2.911 H A 0055 GLU C
H A 0054 ILE C 3.682 H A 0055 GLU CB
H A 0054 ILE CA 3.706 C A 0061 MET CE
H A 0054 ILE CG2 3.554 H A 0073 ILE CD1
H A 0055 GLU CA 3.760 H A 0056 ASN CA
H A 0055 GLU C 2.450 H A 0056 ASN CA
H A 0055 GLU C 3.282 H A 0056 ASN C
H A 0055 GLU C 3.640 H A 0056 ASN CB
H A 0055 GLU CB 3.791 H A 0056 ASN CG
H A 0056 ASN C 2.464 C A 0057 GLY CA
H A 0056 ASN C 3.124 C A 0057 GLY C
H A 0056 ASN C 3.420 C A 0063 ALA CB
C A 0057 GLY CA 3.769 C A 0058 LYS CA
C A 0057 GLY C 2.430 C A 0058 LYS CA
C A 0057 GLY C 3.608 C A 0058 LYS C
C A 0057 GLY C 3.118 C A 0058 LYS CB
C A 0057 GLY CA 3.726 C A 0063 ALA CA
C A 0058 LYS C 2.441 C A 0059 GLY CA
C A 0058 LYS C 2.997 C A 0059 GLY C
C A 0059 GLY C 2.470 C A 0060 ALA CA
C A 0059 GLY C 3.458 C A 0060 ALA C
C A 0059 GLY C 3.553 C A 0060 ALA CB
C A 0060 ALA C 2.464 C A 0061 MET CA
C A 0060 ALA C 3.427 C A 0061 MET C
C A 0060 ALA C 3.542 C A 0061 MET CB
C A 0061 MET CA 2.989 C A 0062 PRO CD
C A 0061 MET C 2.454 C A 0062 PRO CA
C A 0061 MET C 3.103 C A 0062 PRO C
C A 0061 MET C 3.672 C A 0062 PRO CB
C A 0061 MET C 3.690 C A 0062 PRO CG
C A 0061 MET C 2.512 C A 0062 PRO CD
C A 0062 PRO C 2.478 C A 0063 ALA CA
C A 0062 PRO C 3.263 C A 0063 ALA C
C A 0062 PRO C 3.642 C A 0063 ALA CB
C A 0063 ALA C 2.461 C A 0064 TRP CA
C A 0063 ALA C 3.491 C A 0064 TRP C
C A 0063 ALA C 3.495 C A 0064 TRP CB
C A 0063 ALA C 3.623 C A 0064 TRP CG
C A 0063 ALA C 3.701 C A 0064 TRP CD1
C A 0064 TRP C 2.462 C A 0065 ASP CA
C A 0064 TRP C 2.926 C A 0065 ASP C
C A 0064 TRP C 3.705 C A 0065 ASP CB
C A 0065 ASP C 2.466 C A 0066 GLY CA
C A 0065 ASP C 3.182 C A 0066 GLY C
C A 0065 ASP CG 3.592 C A 0067 ARG CZ
C A 0066 GLY C 2.459 C A 0067 ARG CA
C A 0066 GLY C 3.209 C A 0067 ARG C
C A 0066 GLY C 3.677 C A 0067 ARG CB
C A 0067 ARG C 2.460 C A 0068 LEU CA
C A 0067 ARG C 3.357 C A 0068 LEU C
C A 0067 ARG C 3.579 C A 0068 LEU CB
C A 0067 ARG C 3.781 C A 0068 LEU CG
C A 0068 LEU C 2.467 C A 0069 ASP CA
C A 0068 LEU C 3.088 C A 0069 ASP C
C A 0068 LEU C 3.740 C A 0069 ASP CB
C A 0068 LEU CD2 3.552 H A 0072 GLU CD
C A 0068 LEU CB 3.697 H A 0073 ILE CG1
C A 0068 LEU CB 3.750 H A 0073 ILE CD1
C A 0069 ASP C 2.451 H A 0070 GLU CA
C A 0069 ASP C 3.019 H A 0070 GLU C
C A 0069 ASP C 3.718 H A 0070 GLU CB
H A 0070 GLU C 2.436 H A 0071 ASP CA
H A 0070 GLU C 3.020 H A 0071 ASP C
H A 0070 GLU C 3.726 H A 0071 ASP CB
H A 0071 ASP CA 3.794 H A 0072 GLU CA
H A 0071 ASP C 2.470 H A 0072 GLU CA
H A 0071 ASP C 3.004 H A 0072 GLU C
H A 0071 ASP C 3.655 H A 0072 GLU CB
H A 0072 GLU C 2.493 H A 0073 ILE CA
H A 0072 GLU C 2.942 H A 0073 ILE C
H A 0072 GLU C 3.747 H A 0073 ILE CB
H A 0073 ILE C 2.435 H A 0074 ALA CA
H A 0073 ILE C 2.996 H A 0074 ALA C
H A 0073 ILE C 3.714 H A 0074 ALA CB
H A 0074 ALA C 2.454 H A 0075 GLY CA
H A 0074 ALA C 3.065 H A 0075 GLY C
H A 0075 GLY CA 3.800 H A 0076 VAL CA
H A 0075 GLY C 2.432 H A 0076 VAL CA
H A 0075 GLY C 3.009 H A 0076 VAL C
H A 0075 GLY C 3.716 H A 0076 VAL CB
H A 0076 VAL C 2.429 H A 0077 ALA CA
H A 0076 VAL C 2.971 H A 0077 ALA C
H A 0076 VAL C 3.708 H A 0077 ALA CB
H A 0077 ALA C 2.458 H A 0078 ALA CA
H A 0077 ALA C 2.986 H A 0078 ALA C
H A 0077 ALA C 3.727 H A 0078 ALA CB
H A 0078 ALA C 2.466 H A 0079 TYR CA
H A 0078 ALA C 3.021 H A 0079 TYR C
H A 0078 ALA C 3.719 H A 0079 TYR CB
H A 0079 TYR C 2.434 H A 0080 VAL CA
H A 0079 TYR C 2.932 H A 0080 VAL C
H A 0079 TYR C 3.682 H A 0080 VAL CB
H A 0079 TYR CE1 3.675 H A 0083 GLN CG
H A 0079 TYR CZ 3.537 H A 0083 GLN CG
H A 0079 TYR CZ 3.675 H A 0083 GLN CD
H A 0080 VAL C 2.451 H A 0081 TYR CA
H A 0080 VAL C 3.002 H A 0081 TYR C
H A 0080 VAL C 3.723 H A 0081 TYR CB
H A 0081 TYR C 2.468 H A 0082 ASP CA
H A 0081 TYR C 3.049 H A 0082 ASP C
H A 0081 TYR C 3.736 H A 0082 ASP CB
H A 0082 ASP C 2.455 H A 0083 GLN CA
H A 0082 ASP C 2.992 H A 0083 GLN C
H A 0082 ASP C 3.712 H A 0083 GLN CB
H A 0082 ASP CG 3.761 C A 0088 LYS CE
H A 0083 GLN C 2.455 H A 0084 ALA CA
H A 0083 GLN C 2.997 H A 0084 ALA C
H A 0083 GLN C 3.716 H A 0084 ALA CB
H A 0083 GLN CD 3.505 C A 0088 LYS CB
H A 0083 GLN CB 3.351 C A 0089 TRP CE2
H A 0083 GLN CB 3.335 C A 0089 TRP CZ2
H A 0083 GLN CG 3.788 C A 0089 TRP CZ2
H A 0083 GLN CG 3.774 C A 0089 TRP CH2
H A 0084 ALA C 2.474 H A 0085 ALA CA
H A 0084 ALA C 2.989 H A 0085 ALA C
H A 0084 ALA C 3.737 H A 0085 ALA CB
H A 0085 ALA C 2.450 H A 0086 GLY CA
H A 0085 ALA C 3.165 H A 0086 GLY C
H A 0086 GLY C 2.463 C A 0087 ASN CA
H A 0086 GLY C 2.945 C A 0087 ASN C
H A 0086 GLY C 3.229 C A 0087 ASN CB
H A 0086 GLY CA 3.504 C A 0088 LYS CD
H A 0086 GLY C 3.587 C A 0088 LYS CD
C A 0087 ASN C 2.450 C A 0088 LYS CA
C A 0087 ASN C 3.403 C A 0088 LYS C
C A 0087 ASN C 3.539 C A 0088 LYS CB
C A 0088 LYS CA 3.796 C A 0089 TRP CA
C A 0088 LYS C 2.457 C A 0089 TRP CA
C A 0088 LYS C 3.222 C A 0089 TRP C
C A 0088 LYS C 3.668 C A 0089 TRP CB
CHARGE_ATTR 2.00 12.00 32
C A 0003 ASP OD1 11.71 H A 0008 LYS NZ
C A 0003 ASP OD2 11.38 H A 0008 LYS NZ
C A 0003 ASP OD1 11.78 C A 0088 LYS NZ
H A 0012 ASP OD1 2.598 H A 0008 LYS NZ
H A 0012 ASP OD2 2.540 H A 0008 LYS NZ
C A 0029 ASP OD1 10.70 H A 0019 HIS ND1
C A 0029 ASP OD1 11.93 H A 0019 HIS NE2
C A 0029 ASP OD2 11.77 H A 0019 HIS ND1
C A 0029 ASP OD1 7.149 C A 0030 HIS ND1
C A 0029 ASP OD1 7.583 C A 0030 HIS NE2
C A 0029 ASP OD2 7.095 C A 0030 HIS ND1
C A 0029 ASP OD2 7.373 C A 0030 HIS NE2
H A 0038 GLU OE1 2.574 H A 0034 LYS NZ
H A 0038 GLU OE2 2.583 H A 0034 LYS NZ
C A 0042 ASP OD1 9.344 C A 0030 HIS ND1
C A 0042 ASP OD1 8.406 C A 0030 HIS NE2
C A 0042 ASP OD2 7.774 C A 0030 HIS ND1
C A 0042 ASP OD2 6.506 C A 0030 HIS NE2
C A 0042 ASP OD1 4.329 C A 0058 LYS NZ
C A 0042 ASP OD2 2.591 C A 0058 LYS NZ
H A 0055 GLU OE1 10.30 C A 0067 ARG NH1
H A 0055 GLU OE1 11.05 C A 0067 ARG NH2
H A 0055 GLU OE2 11.20 C A 0067 ARG NH1
H A 0055 GLU OE2 11.84 C A 0067 ARG NH2
C A 0065 ASP OD1 2.609 C A 0067 ARG NH1
C A 0065 ASP OD1 3.391 C A 0067 ARG NH2
C A 0065 ASP OD2 3.517 C A 0067 ARG NH1
C A 0065 ASP OD2 2.652 C A 0067 ARG NH2
H A 0072 GLU OE1 11.73 C A 0067 ARG NH1
H A 0082 ASP OD2 10.70 H A 0008 LYS NZ
H A 0082 ASP OD1 2.636 C A 0088 LYS NZ
H A 0082 ASP OD2 2.730 C A 0088 LYS NZ
CHARGE_REPU 2.00 12.00 74
C A 0001 GLU OE1 9.473 C A 0003 ASP OD1
C A 0001 GLU OE1 9.035 C A 0003 ASP OD2
C A 0001 GLU OE2 9.774 C A 0003 ASP OD1
C A 0001 GLU OE2 9.622 C A 0003 ASP OD2
C A 0001 GLU OE1 9.023 C A 0069 ASP OD1
C A 0001 GLU OE1 10.42 C A 0069 ASP OD2
C A 0001 GLU OE2 11.24 C A 0069 ASP OD1
C A 0001 GLU OE1 11.18 H A 0070 GLU OE1
C A 0001 GLU OE1 4.606 H A 0071 ASP OD1
C A 0001 GLU OE1 4.808 H A 0071 ASP OD2
C A 0001 GLU OE2 6.624 H A 0071 ASP OD1
C A 0001 GLU OE2 6.831 H A 0071 ASP OD2
C A 0003 ASP OD2 11.58 H A 0012 ASP OD1
C A 0003 ASP OD2 11.27 H A 0012 ASP OD2
C A 0003 ASP OD1 9.182 H A 0071 ASP OD1
C A 0003 ASP OD1 8.120 H A 0071 ASP OD2
C A 0003 ASP OD2 8.695 H A 0071 ASP OD1
C A 0003 ASP OD2 7.190 H A 0071 ASP OD2
C A 0003 ASP OD2 11.90 H A 0072 GLU OE1
C A 0003 ASP OD2 11.03 H A 0072 GLU OE2
C A 0003 ASP OD1 10.11 H A 0082 ASP OD1
C A 0003 ASP OD1 9.281 H A 0082 ASP OD2
C A 0003 ASP OD2 11.96 H A 0082 ASP OD1
C A 0003 ASP OD2 10.91 H A 0082 ASP OD2
H A 0012 ASP OD1 11.88 H A 0072 GLU OE2
H A 0012 ASP OD1 11.54 H A 0082 ASP OD2
H A 0019 HIS ND1 7.208 C A 0030 HIS ND1
H A 0019 HIS ND1 8.979 C A 0030 HIS NE2
H A 0019 HIS NE2 7.445 C A 0030 HIS ND1
H A 0019 HIS NE2 8.875 C A 0030 HIS NE2
H A 0019 HIS ND1 11.05 C A 0058 LYS NZ
H A 0019 HIS NE2 9.966 C A 0058 LYS NZ
C A 0030 HIS ND1 6.269 C A 0058 LYS NZ
C A 0030 HIS NE2 5.001 C A 0058 LYS NZ
H A 0038 GLU OE2 11.59 H A 0048 GLU OE1
H A 0038 GLU OE2 11.84 H A 0048 GLU OE2
C A 0042 ASP OD1 11.15 H A 0048 GLU OE1
C A 0042 ASP OD1 10.85 H A 0048 GLU OE2
C A 0042 ASP OD1 11.05 H A 0055 GLU OE1
H A 0048 GLU OE1 11.56 H A 0055 GLU OE1
H A 0048 GLU OE1 10.76 H A 0055 GLU OE2
H A 0048 GLU OE2 11.52 H A 0055 GLU OE2
H A 0055 GLU OE1 8.059 C A 0065 ASP OD1
H A 0055 GLU OE1 8.797 C A 0065 ASP OD2
H A 0055 GLU OE2 9.193 C A 0065 ASP OD1
H A 0055 GLU OE2 9.708 C A 0065 ASP OD2
H A 0055 GLU OE2 11.08 C A 0069 ASP OD1
H A 0055 GLU OE1 10.24 H A 0070 GLU OE1
H A 0055 GLU OE1 10.30 H A 0070 GLU OE2
H A 0055 GLU OE2 8.326 H A 0070 GLU OE1
H A 0055 GLU OE2 8.696 H A 0070 GLU OE2
C A 0065 ASP OD2 11.72 H A 0070 GLU OE2
C A 0069 ASP OD1 5.800 H A 0070 GLU OE1
C A 0069 ASP OD1 6.063 H A 0070 GLU OE2
C A 0069 ASP OD2 6.840 H A 0070 GLU OE1
C A 0069 ASP OD2 6.409 H A 0070 GLU OE2
C A 0069 ASP OD1 5.942 H A 0071 ASP OD1
C A 0069 ASP OD1 5.915 H A 0071 ASP OD2
C A 0069 ASP OD2 7.948 H A 0071 ASP OD1
C A 0069 ASP OD2 7.649 H A 0071 ASP OD2
C A 0069 ASP OD1 5.891 H A 0072 GLU OE1
C A 0069 ASP OD1 7.793 H A 0072 GLU OE2
C A 0069 ASP OD2 5.974 H A 0072 GLU OE1
C A 0069 ASP OD2 7.978 H A 0072 GLU OE2
H A 0070 GLU OE1 8.168 H A 0071 ASP OD1
H A 0070 GLU OE1 9.554 H A 0071 ASP OD2
H A 0070 GLU OE2 9.809 H A 0071 ASP OD1
H A 0070 GLU OE2 10.89 H A 0071 ASP OD2
H A 0070 GLU OE1 10.82 H A 0072 GLU OE1
H A 0070 GLU OE2 10.65 H A 0072 GLU OE1
H A 0071 ASP OD1 9.375 H A 0072 GLU OE1
H A 0071 ASP OD1 10.29 H A 0072 GLU OE2
H A 0071 ASP OD2 8.270 H A 0072 GLU OE1
H A 0071 ASP OD2 8.875 H A 0072 GLU OE2
HB_MM 2.00 3.20 176
C A 0002 ALA N 2.246 C A 0001 GLU O
C A 0003 ASP N 3.191 C A 0001 GLU O
C A 0003 ASP N 2.252 C A 0002 ALA O
H A 0004 LEU N 2.254 C A 0003 ASP O
H A 0005 ALA N 2.242 H A 0004 LEU O
H A 0006 LEU N 2.242 H A 0005 ALA O
H A 0007 GLY N 2.844 C A 0003 ASP O
H A 0007 GLY N 2.250 H A 0006 LEU O
H A 0008 LYS N 2.725 H A 0004 LEU O
H A 0008 LYS N 3.129 H A 0005 ALA O
H A 0008 LYS N 3.186 H A 0006 LEU O
H A 0008 LYS N 2.236 H A 0007 GLY O
H A 0009 ALA N 2.820 H A 0005 ALA O
H A 0009 ALA N 3.001 H A 0006 LEU O
H A 0009 ALA N 2.237 H A 0008 LYS O
H A 0010 VAL N 2.879 H A 0006 LEU O
H A 0010 VAL N 3.175 H A 0008 LYS O
H A 0010 VAL N 2.248 H A 0009 ALA O
H A 0011 PHE N 2.815 H A 0007 GLY O
H A 0011 PHE N 2.891 H A 0008 LYS O
H A 0011 PHE N 2.258 H A 0010 VAL O
H A 0012 ASP N 2.769 H A 0008 LYS O
H A 0012 ASP N 2.264 H A 0011 PHE O
H A 0013 GLY N 2.978 H A 0010 VAL O
H A 0013 GLY N 3.081 H A 0011 PHE O
H A 0013 GLY N 2.247 H A 0012 ASP O
H A 0014 ASN N 2.790 H A 0010 VAL O
H A 0014 ASN N 3.168 H A 0011 PHE O
H A 0014 ASN N 2.250 H A 0013 GLY O
C A 0015 CYS N 2.801 H A 0011 PHE O
C A 0015 CYS N 2.250 H A 0014 ASN O
H A 0016 ALA N 2.873 H A 0011 PHE O
H A 0016 ALA N 2.260 C A 0015 CYS O
H A 0017 ALA N 2.946 C A 0015 CYS O
H A 0017 ALA N 2.259 H A 0016 ALA O
H A 0018 CYS N 2.848 C A 0015 CYS O
H A 0018 CYS N 3.037 H A 0016 ALA O
H A 0018 CYS N 2.257 H A 0017 ALA O
H A 0019 HIS N 2.836 C A 0015 CYS O
H A 0019 HIS N 2.251 H A 0018 CYS O
C A 0020 ALA N 2.738 H A 0016 ALA O
C A 0020 ALA N 2.246 H A 0019 HIS O
C A 0021 GLY N 2.861 H A 0019 HIS O
C A 0021 GLY N 2.249 C A 0020 ALA O
C A 0022 GLY N 2.642 H A 0019 HIS O
C A 0022 GLY N 2.244 C A 0021 GLY O
C A 0023 GLY N 2.758 H A 0019 HIS O
C A 0023 GLY N 2.255 C A 0022 GLY O
C A 0024 ASN N 2.256 C A 0023 GLY O
C A 0025 ASN N 2.722 H A 0018 CYS O
C A 0025 ASN N 3.051 C A 0023 GLY O
C A 0025 ASN N 2.239 C A 0024 ASN O
C A 0026 VAL N 2.242 C A 0025 ASN O
C A 0027 ILE N 2.253 C A 0026 VAL O
C A 0028 PRO N 2.263 C A 0027 ILE O
C A 0029 ASP N 3.007 C A 0027 ILE O
C A 0029 ASP N 2.249 C A 0028 PRO O
C A 0030 HIS N 2.869 C A 0027 ILE O
C A 0030 HIS N 2.237 C A 0029 ASP O
C A 0031 THR N 2.823 C A 0029 ASP O
C A 0031 THR N 2.260 C A 0030 HIS O
C A 0032 LEU N 2.869 C A 0022 GLY O
C A 0032 LEU N 2.231 C A 0031 THR O
C A 0033 GLN N 2.789 C A 0031 THR O
C A 0033 GLN N 2.242 C A 0032 LEU O
H A 0034 LYS N 2.255 C A 0033 GLN O
H A 0035 ALA N 2.246 H A 0034 LYS O
H A 0036 ALA N 3.054 C A 0033 GLN O
H A 0036 ALA N 3.192 H A 0034 LYS O
H A 0036 ALA N 2.247 H A 0035 ALA O
H A 0037 ILE N 2.797 C A 0033 GLN O
H A 0037 ILE N 3.193 H A 0034 LYS O
H A 0037 ILE N 2.255 H A 0036 ALA O
H A 0038 GLU N 2.802 H A 0034 LYS O
H A 0038 GLU N 2.235 H A 0037 ILE O
H A 0039 GLN N 2.907 H A 0035 ALA O
H A 0039 GLN N 3.152 H A 0037 ILE O
H A 0039 GLN N 2.245 H A 0038 GLU O
H A 0040 PHE N 2.790 H A 0036 ALA O
H A 0040 PHE N 2.244 H A 0039 GLN O
C A 0041 LEU N 2.714 H A 0037 ILE O
C A 0041 LEU N 2.243 H A 0040 PHE O
C A 0042 ASP N 2.846 H A 0040 PHE O
C A 0042 ASP N 2.260 C A 0041 LEU O
C A 0043 GLY N 3.097 C A 0041 LEU O
C A 0043 GLY N 2.240 C A 0042 ASP O
C A 0044 GLY N 2.791 C A 0041 LEU O
C A 0044 GLY N 2.238 C A 0043 GLY O
C A 0045 PHE N 2.251 C A 0044 GLY O
C A 0046 ASN N 2.726 C A 0044 GLY O
C A 0046 ASN N 2.251 C A 0045 PHE O
H A 0047 ILE N 2.243 C A 0046 ASN O
H A 0048 GLU N 2.249 H A 0047 ILE O
H A 0049 ALA N 3.140 C A 0046 ASN O
H A 0049 ALA N 2.257 H A 0048 GLU O
H A 0050 ILE N 2.971 C A 0046 ASN O
H A 0050 ILE N 3.022 H A 0047 ILE O
H A 0050 ILE N 2.250 H A 0049 ALA O
H A 0051 VAL N 2.791 H A 0047 ILE O
H A 0051 VAL N 2.249 H A 0050 ILE O
H A 0052 TYR N 2.810 H A 0048 GLU O
H A 0052 TYR N 2.249 H A 0051 VAL O
H A 0053 GLN N 3.137 H A 0049 ALA O
H A 0053 GLN N 2.925 H A 0050 ILE O
H A 0053 GLN N 2.248 H A 0052 TYR O
H A 0054 ILE N 3.095 H A 0050 ILE O
H A 0054 ILE N 2.987 H A 0051 VAL O
H A 0054 ILE N 2.256 H A 0053 GLN O
H A 0055 GLU N 2.768 H A 0051 VAL O
H A 0055 GLU N 2.243 H A 0054 ILE O
H A 0056 ASN N 2.937 H A 0052 TYR O
H A 0056 ASN N 2.264 H A 0055 GLU O
C A 0057 GLY N 2.842 H A 0053 GLN O
C A 0057 GLY N 2.254 H A 0056 ASN O
C A 0058 LYS N 2.237 C A 0057 GLY O
C A 0058 LYS N 3.166 C A 0061 MET O
C A 0059 GLY N 2.241 C A 0058 LYS O
C A 0060 ALA N 3.037 C A 0058 LYS O
C A 0060 ALA N 2.255 C A 0059 GLY O
C A 0061 MET N 2.956 C A 0058 LYS O
C A 0061 MET N 2.249 C A 0060 ALA O
C A 0062 PRO N 2.253 C A 0061 MET O
C A 0063 ALA N 2.260 C A 0062 PRO O
C A 0064 TRP N 2.865 H A 0054 ILE O
C A 0064 TRP N 2.859 H A 0055 GLU O
C A 0064 TRP N 2.250 C A 0063 ALA O
C A 0065 ASP N 2.976 H A 0055 GLU O
C A 0065 ASP N 2.262 C A 0064 TRP O
C A 0066 GLY N 3.094 C A 0064 TRP O
C A 0066 GLY N 2.243 C A 0065 ASP O
C A 0067 ARG N 2.884 C A 0064 TRP O
C A 0067 ARG N 2.922 C A 0065 ASP O
C A 0067 ARG N 2.242 C A 0066 GLY O
C A 0068 LEU N 2.260 C A 0067 ARG O
C A 0069 ASP N 2.255 C A 0068 LEU O
H A 0070 GLU N 2.231 C A 0069 ASP O
H A 0071 ASP N 2.252 H A 0070 GLU O
H A 0072 GLU N 2.250 H A 0071 ASP O
H A 0073 ILE N 2.809 C A 0069 ASP O
H A 0073 ILE N 2.254 H A 0072 GLU O
H A 0074 ALA N 2.895 H A 0070 GLU O
H A 0074 ALA N 3.163 H A 0071 ASP O
H A 0074 ALA N 2.242 H A 0073 ILE O
H A 0075 GLY N 2.710 H A 0071 ASP O
H A 0075 GLY N 2.904 H A 0072 GLU O
H A 0075 GLY N 2.247 H A 0074 ALA O
H A 0076 VAL N 2.837 H A 0072 GLU O
H A 0076 VAL N 2.245 H A 0075 GLY O
H A 0077 ALA N 2.943 H A 0073 ILE O
H A 0077 ALA N 2.253 H A 0076 VAL O
H A 0078 ALA N 2.878 H A 0074 ALA O
H A 0078 ALA N 2.253 H A 0077 ALA O
H A 0079 TYR N 2.780 H A 0075 GLY O
H A 0079 TYR N 2.241 H A 0078 ALA O
H A 0080 VAL N 2.917 H A 0076 VAL O
H A 0080 VAL N 2.242 H A 0079 TYR O
H A 0081 TYR N 2.852 H A 0077 ALA O
H A 0081 TYR N 3.193 H A 0078 ALA O
H A 0081 TYR N 2.251 H A 0080 VAL O
H A 0082 ASP N 2.791 H A 0078 ALA O
H A 0082 ASP N 3.083 H A 0079 TYR O
H A 0082 ASP N 2.250 H A 0081 TYR O
H A 0083 GLN N 2.811 H A 0079 TYR O
H A 0083 GLN N 2.251 H A 0082 ASP O
H A 0084 ALA N 2.872 H A 0080 VAL O
H A 0084 ALA N 2.258 H A 0083 GLN O
H A 0085 ALA N 2.797 H A 0081 TYR O
H A 0085 ALA N 2.250 H A 0084 ALA O
H A 0086 GLY N 2.797 H A 0082 ASP O
H A 0086 GLY N 2.250 H A 0085 ALA O
C A 0087 ASN N 2.878 H A 0083 GLN O
C A 0087 ASN N 2.965 H A 0084 ALA O
C A 0087 ASN N 2.251 H A 0086 GLY O
C A 0088 LYS N 2.830 H A 0083 GLN O
C A 0088 LYS N 2.246 C A 0087 ASN O
C A 0089 TRP N 2.259 C A 0088 LYS O
HB_MS 2.00 3.20 27
C A 0001 GLU N 2.593 H A 0071 ASP OD1
C A 0001 GLU N 2.657 H A 0071 ASP OD2
C A 0002 ALA N 2.709 H A 0071 ASP OD1
H A 0004 LEU N 2.578 C A 0003 ASP OD1
H A 0005 ALA N 2.869 C A 0003 ASP OD1
H A 0006 LEU N 2.678 C A 0003 ASP OD2
H A 0010 VAL O 2.841 H A 0014 ASN ND2
H A 0018 CYS O 2.803 C A 0025 ASN ND2
C A 0023 GLY O 2.785 C A 0025 ASN ND2
C A 0025 ASN N 3.177 C A 0024 ASN OD1
C A 0026 VAL N 2.839 C A 0024 ASN OD1
C A 0027 ILE N 2.840 C A 0024 ASN OD1
C A 0030 HIS O 2.810 C A 0024 ASN ND2
C A 0032 LEU O 2.712 C A 0089 TRP NE1
H A 0034 LYS N 2.858 C A 0033 GLN OE1
C A 0043 GLY N 2.691 C A 0042 ASP OD1
C A 0043 GLY O 2.794 C A 0046 ASN ND2
C A 0045 PHE O 2.772 H A 0081 TYR OH
H A 0047 ILE N 2.768 H A 0048 GLU OE1
H A 0052 TYR O 2.788 H A 0056 ASN ND2
C A 0063 ALA O 2.674 C A 0067 ARG NH1
C A 0065 ASP O 2.923 C A 0067 ARG NH2
C A 0069 ASP N 2.708 H A 0072 GLU OE1
H A 0070 GLU N 2.610 C A 0069 ASP OD1
H A 0071 ASP N 2.783 C A 0069 ASP OD1
H A 0082 ASP O 2.727 C A 0088 LYS NZ
C A 0088 LYS O 2.779 H A 0083 GLN NE2
HB_SS 2.00 3.20 3
C A 0033 GLN NE2 2.757 C A 0087 ASN OD1
H A 0055 GLU OE1 2.691 H A 0056 ASN ND2
C A 0058 LYS NZ 2.686 H A 0053 GLN OE1
AROMATIC 0.00 8.00 5
C A 0058 LYS 6.052 C A 0030 HIS
H A 0008 LYS 7.021 H A 0011 PHE
C A 0045 PHE 3.715 H A 0081 TYR
H A 0034 LYS 5.323 C A 0045 PHE
H A 0008 LYS 6.277 H A 0079 TYR