Complet list of 1xhj con file
Complete list of 1xhj.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 344
C A 0001 MET CA 2.869 C A 0002 PRO CD
C A 0001 MET C 2.457 C A 0002 PRO CA
C A 0001 MET C 3.172 C A 0002 PRO C
C A 0001 MET C 3.641 C A 0002 PRO CB
C A 0001 MET C 3.593 C A 0002 PRO CG
C A 0001 MET C 2.468 C A 0002 PRO CD
C A 0002 PRO C 2.447 C A 0003 THR CA
C A 0002 PRO C 3.714 C A 0003 THR C
C A 0002 PRO C 3.087 C A 0003 THR CB
C A 0003 THR CA 3.796 C A 0004 GLU CA
C A 0003 THR C 2.429 C A 0004 GLU CA
C A 0003 THR C 3.145 C A 0004 GLU C
C A 0003 THR C 3.684 C A 0004 GLU CB
C A 0003 THR C 3.742 C A 0004 GLU CD
C A 0004 GLU CA 3.797 C A 0005 ASN CA
C A 0004 GLU C 2.438 C A 0005 ASN CA
C A 0004 GLU C 2.894 C A 0005 ASN C
C A 0004 GLU C 3.709 C A 0005 ASN CB
C A 0005 ASN CA 2.936 C A 0006 PRO CD
C A 0005 ASN C 2.445 C A 0006 PRO CA
C A 0005 ASN C 2.863 C A 0006 PRO C
C A 0005 ASN C 3.624 C A 0006 PRO CB
C A 0005 ASN C 3.569 C A 0006 PRO CG
C A 0005 ASN C 2.480 C A 0006 PRO CD
C A 0005 ASN CB 3.105 C A 0006 PRO CD
C A 0005 ASN CG 3.489 C A 0006 PRO CD
C A 0006 PRO C 2.442 H A 0007 THR CA
C A 0006 PRO C 3.063 H A 0007 THR C
C A 0006 PRO C 3.714 H A 0007 THR CB
C A 0006 PRO CB 3.728 H A 0010 ASP CG
H A 0007 THR C 2.435 H A 0008 MET CA
H A 0007 THR C 2.914 H A 0008 MET C
H A 0007 THR C 3.711 H A 0008 MET CB
H A 0008 MET C 2.443 H A 0009 PHE CA
H A 0008 MET C 2.861 H A 0009 PHE C
H A 0008 MET C 3.694 H A 0009 PHE CB
H A 0008 MET C 3.623 H A 0012 VAL CG1
H A 0009 PHE C 2.432 H A 0010 ASP CA
H A 0009 PHE C 2.964 H A 0010 ASP C
H A 0009 PHE C 3.712 H A 0010 ASP CB
H A 0010 ASP C 2.441 H A 0011 GLN CA
H A 0010 ASP C 3.027 H A 0011 GLN C
H A 0010 ASP C 3.716 H A 0011 GLN CB
H A 0011 GLN CA 3.798 H A 0012 VAL CA
H A 0011 GLN C 2.418 H A 0012 VAL CA
H A 0011 GLN C 2.902 H A 0012 VAL C
H A 0011 GLN C 3.720 H A 0012 VAL CB
H A 0012 VAL CA 3.778 H A 0013 ALA CA
H A 0012 VAL C 2.408 H A 0013 ALA CA
H A 0012 VAL C 2.883 H A 0013 ALA C
H A 0012 VAL C 3.697 H A 0013 ALA CB
H A 0012 VAL CG2 3.771 H A 0013 ALA CA
H A 0012 VAL CA 3.538 H A 0015 VAL CG2
H A 0012 VAL C 3.688 H A 0015 VAL CG2
H A 0012 VAL C 3.644 H A 0016 ILE CG1
H A 0012 VAL C 3.207 H A 0016 ILE CD1
H A 0012 VAL CB 3.662 H A 0016 ILE CD1
H A 0012 VAL CG2 3.633 H A 0016 ILE CD1
H A 0013 ALA C 2.443 H A 0014 GLU CA
H A 0013 ALA C 3.031 H A 0014 GLU C
H A 0013 ALA C 3.721 H A 0014 GLU CB
H A 0014 GLU C 2.432 H A 0015 VAL CA
H A 0014 GLU C 3.006 H A 0015 VAL C
H A 0014 GLU C 3.726 H A 0015 VAL CB
H A 0015 VAL C 2.434 H A 0016 ILE CA
H A 0015 VAL C 2.953 H A 0016 ILE C
H A 0015 VAL C 3.719 H A 0016 ILE CB
H A 0016 ILE C 2.437 H A 0017 GLU CA
H A 0016 ILE C 2.944 H A 0017 GLU C
H A 0016 ILE C 3.726 H A 0017 GLU CB
H A 0017 GLU C 2.432 H A 0018 ARG CA
H A 0017 GLU C 3.057 H A 0018 ARG C
H A 0017 GLU C 3.706 H A 0018 ARG CB
H A 0017 GLU CA 3.668 H A 0020 ARG CD
H A 0018 ARG C 2.438 H A 0019 LEU CA
H A 0018 ARG C 3.154 H A 0019 LEU C
H A 0018 ARG C 3.693 H A 0019 LEU CB
H A 0018 ARG C 3.724 H A 0019 LEU CD2
H A 0018 ARG C 3.780 H A 0021 PRO CD
H A 0019 LEU C 2.449 H A 0020 ARG CA
H A 0019 LEU C 2.867 H A 0020 ARG C
H A 0019 LEU C 3.703 H A 0020 ARG CB
H A 0019 LEU C 3.396 H A 0021 PRO CD
H A 0020 ARG CA 2.901 H A 0021 PRO CD
H A 0020 ARG C 2.468 H A 0021 PRO CA
H A 0020 ARG C 2.971 H A 0021 PRO C
H A 0020 ARG C 3.655 H A 0021 PRO CB
H A 0020 ARG C 3.612 H A 0021 PRO CG
H A 0020 ARG C 2.479 H A 0021 PRO CD
H A 0020 ARG CB 2.992 H A 0021 PRO CD
H A 0021 PRO C 2.436 H A 0022 PHE CA
H A 0021 PRO C 3.116 H A 0022 PHE C
H A 0021 PRO C 3.698 H A 0022 PHE CB
H A 0022 PHE CA 3.796 H A 0023 LEU CA
H A 0022 PHE C 2.429 H A 0023 LEU CA
H A 0022 PHE C 2.974 H A 0023 LEU C
H A 0022 PHE C 3.715 H A 0023 LEU CB
H A 0023 LEU C 2.437 H A 0024 LEU CA
H A 0023 LEU C 2.946 H A 0024 LEU C
H A 0023 LEU C 3.708 H A 0024 LEU CB
H A 0023 LEU C 3.690 C A 0028 GLY C
H A 0024 LEU C 2.431 H A 0025 ARG CA
H A 0024 LEU C 3.003 H A 0025 ARG C
H A 0024 LEU C 3.710 H A 0025 ARG CB
H A 0024 LEU CA 3.670 C A 0028 GLY CA
H A 0024 LEU CA 3.545 C A 0028 GLY C
H A 0025 ARG C 2.434 H A 0026 ASP CA
H A 0025 ARG C 3.390 H A 0026 ASP C
H A 0025 ARG C 3.584 H A 0026 ASP CB
H A 0026 ASP C 2.436 H A 0027 GLY CA
H A 0026 ASP C 3.289 H A 0027 GLY C
H A 0027 GLY C 2.433 C A 0028 GLY CA
H A 0027 GLY C 3.715 C A 0028 GLY C
H A 0027 GLY CA 3.503 H A 0058 LEU CD2
C A 0028 GLY C 2.429 E A 0029 ASP CA
C A 0028 GLY C 3.554 E A 0029 ASP C
C A 0028 GLY C 3.395 E A 0029 ASP CB
C A 0028 GLY C 3.607 E A 0029 ASP CG
C A 0028 GLY CA 3.454 C A 0046 GLY CA
E A 0029 ASP CA 3.798 E A 0030 CYS CA
E A 0029 ASP C 2.432 E A 0030 CYS CA
E A 0029 ASP C 3.291 E A 0030 CYS C
E A 0029 ASP C 3.623 E A 0030 CYS CB
E A 0029 ASP C 3.693 E A 0045 HIS CD2
E A 0029 ASP CB 3.660 E A 0045 HIS CD2
E A 0029 ASP CB 3.398 E A 0045 HIS CE1
E A 0030 CYS CA 3.799 E A 0031 THR CA
E A 0030 CYS C 2.431 E A 0031 THR CA
E A 0030 CYS C 3.652 E A 0031 THR C
E A 0030 CYS C 3.231 E A 0031 THR CB
E A 0031 THR C 2.432 E A 0032 LEU CA
E A 0031 THR C 3.062 E A 0032 LEU C
E A 0031 THR C 3.704 E A 0032 LEU CB
E A 0032 LEU C 2.433 E A 0033 VAL CA
E A 0032 LEU C 3.341 E A 0033 VAL C
E A 0032 LEU C 3.603 E A 0033 VAL CB
E A 0032 LEU C 3.733 E A 0033 VAL CG2
E A 0033 VAL C 2.431 E A 0034 ASP CA
E A 0033 VAL C 3.689 E A 0034 ASP C
E A 0033 VAL C 3.163 E A 0034 ASP CB
E A 0034 ASP C 2.438 C A 0035 VAL CA
E A 0034 ASP C 3.365 C A 0035 VAL C
E A 0034 ASP C 3.589 C A 0035 VAL CB
E A 0034 ASP CB 3.736 E A 0041 LYS CD
C A 0035 VAL C 2.436 C A 0036 GLU CA
C A 0035 VAL C 3.496 C A 0036 GLU C
C A 0035 VAL C 3.484 C A 0036 GLU CB
C A 0035 VAL C 3.470 C A 0036 GLU CG
C A 0035 VAL C 3.558 C A 0036 GLU CD
C A 0036 GLU C 2.435 C A 0037 ASP CA
C A 0036 GLU C 3.072 C A 0037 ASP C
C A 0036 GLU C 3.704 C A 0037 ASP CB
C A 0036 GLU CB 3.525 E A 0039 ILE C
C A 0036 GLU CG 3.673 E A 0039 ILE C
C A 0037 ASP C 2.435 C A 0038 GLY CA
C A 0037 ASP C 3.717 C A 0038 GLY C
C A 0038 GLY C 2.441 E A 0039 ILE CA
C A 0038 GLY C 3.212 E A 0039 ILE C
C A 0038 GLY C 3.680 E A 0039 ILE CB
E A 0039 ILE C 2.432 E A 0040 VAL CA
E A 0039 ILE C 3.063 E A 0040 VAL C
E A 0039 ILE C 3.705 E A 0040 VAL CB
E A 0040 VAL C 2.439 E A 0041 LYS CA
E A 0040 VAL C 3.662 E A 0041 LYS C
E A 0040 VAL C 3.249 E A 0041 LYS CB
E A 0040 VAL C 2.953 E A 0041 LYS CG
E A 0040 VAL CG1 3.790 E A 0041 LYS CA
E A 0040 VAL CG1 3.408 E A 0042 LEU CD2
E A 0041 LYS C 2.438 E A 0042 LEU CA
E A 0041 LYS C 3.553 E A 0042 LEU C
E A 0041 LYS C 3.413 E A 0042 LEU CB
E A 0041 LYS C 3.652 E A 0042 LEU CD2
E A 0042 LEU C 2.430 E A 0043 GLN CA
E A 0042 LEU C 3.638 E A 0043 GLN C
E A 0042 LEU C 3.276 E A 0043 GLN CB
E A 0042 LEU CD2 3.621 E A 0076 VAL CG2
E A 0042 LEU CD1 3.569 E A 0078 GLN CG
E A 0043 GLN C 2.437 E A 0044 LEU CA
E A 0043 GLN C 3.265 E A 0044 LEU C
E A 0043 GLN C 3.641 E A 0044 LEU CB
E A 0043 GLN CB 3.696 E A 0079 VAL CG2
E A 0044 LEU C 2.432 E A 0045 HIS CA
E A 0044 LEU C 3.703 E A 0045 HIS C
E A 0044 LEU C 3.103 E A 0045 HIS CB
E A 0044 LEU CD2 3.616 H A 0055 THR CG2
E A 0045 HIS C 2.435 C A 0046 GLY CA
E A 0045 HIS C 3.380 C A 0046 GLY C
C A 0046 GLY CA 3.800 C A 0047 ALA CA
C A 0046 GLY C 2.434 C A 0047 ALA CA
C A 0046 GLY C 3.709 C A 0047 ALA C
C A 0046 GLY C 3.024 C A 0047 ALA CB
C A 0047 ALA C 2.437 C A 0048 CYS CA
C A 0047 ALA C 3.717 C A 0048 CYS C
C A 0047 ALA C 3.015 C A 0048 CYS CB
C A 0048 CYS C 2.435 C A 0049 GLY CA
C A 0048 CYS C 3.487 C A 0049 GLY C
C A 0049 GLY C 2.437 C A 0050 THR CA
C A 0049 GLY C 3.615 C A 0050 THR C
C A 0049 GLY C 3.325 C A 0050 THR CB
C A 0049 GLY C 3.248 C A 0050 THR CG2
C A 0049 GLY CA 3.722 C A 0082 GLU CB
C A 0049 GLY C 3.424 C A 0082 GLU CB
C A 0049 GLY CA 3.743 C A 0084 HIS CB
C A 0049 GLY CA 3.671 C A 0084 HIS CG
C A 0050 THR C 2.436 C A 0051 CYS CA
C A 0050 THR C 3.588 C A 0051 CYS C
C A 0050 THR C 3.356 C A 0051 CYS CB
C A 0050 THR C 3.635 H A 0052 PRO CD
C A 0051 CYS CA 2.868 H A 0052 PRO CD
C A 0051 CYS C 2.460 H A 0052 PRO CA
C A 0051 CYS C 3.182 H A 0052 PRO C
C A 0051 CYS C 3.643 H A 0052 PRO CB
C A 0051 CYS C 3.594 H A 0052 PRO CG
C A 0051 CYS C 2.471 H A 0052 PRO CD
H A 0052 PRO C 2.435 H A 0053 SER CA
H A 0052 PRO C 3.256 H A 0053 SER C
H A 0052 PRO C 3.645 H A 0053 SER CB
H A 0052 PRO CB 3.584 H A 0055 THR CB
H A 0053 SER C 2.437 H A 0054 SER CA
H A 0053 SER C 3.210 H A 0054 SER C
H A 0053 SER C 3.671 H A 0054 SER CB
H A 0054 SER C 2.434 H A 0055 THR CA
H A 0054 SER C 2.959 H A 0055 THR C
H A 0054 SER C 3.721 H A 0055 THR CB
H A 0055 THR C 2.433 H A 0056 ILE CA
H A 0055 THR C 2.973 H A 0056 ILE C
H A 0055 THR C 3.719 H A 0056 ILE CB
H A 0056 ILE C 2.432 H A 0057 THR CA
H A 0056 ILE C 3.012 H A 0057 THR C
H A 0056 ILE C 3.715 H A 0057 THR CB
H A 0057 THR C 2.435 H A 0058 LEU CA
H A 0057 THR C 2.976 H A 0058 LEU C
H A 0057 THR C 3.715 H A 0058 LEU CB
H A 0058 LEU C 2.443 H A 0059 LYS CA
H A 0058 LEU C 2.893 H A 0059 LYS C
H A 0058 LEU C 3.707 H A 0059 LYS CB
H A 0058 LEU C 3.709 H A 0062 ILE CG1
H A 0059 LYS C 2.431 H A 0060 ALA CA
H A 0059 LYS C 2.996 H A 0060 ALA C
H A 0059 LYS C 3.707 H A 0060 ALA CB
H A 0059 LYS CG 3.740 E A 0078 GLN CD
H A 0059 LYS CE 3.792 E A 0080 PHE CD2
H A 0059 LYS CE 3.729 E A 0080 PHE CE2
H A 0060 ALA C 2.436 H A 0061 GLY CA
H A 0060 ALA C 3.050 H A 0061 GLY C
H A 0061 GLY C 2.435 H A 0062 ILE CA
H A 0061 GLY C 2.985 H A 0062 ILE C
H A 0061 GLY C 3.740 H A 0062 ILE CB
H A 0062 ILE C 2.439 H A 0063 GLU CA
H A 0062 ILE C 2.876 H A 0063 GLU C
H A 0062 ILE C 3.706 H A 0063 GLU CB
H A 0062 ILE C 3.770 H A 0066 LEU CD1
H A 0063 GLU C 2.435 H A 0064 ARG CA
H A 0063 GLU C 2.951 H A 0064 ARG C
H A 0063 GLU C 3.714 H A 0064 ARG CB
H A 0063 GLU CG 3.784 E A 0076 VAL CG1
H A 0064 ARG C 2.435 H A 0065 ALA CA
H A 0064 ARG C 2.970 H A 0065 ALA C
H A 0064 ARG C 3.717 H A 0065 ALA CB
H A 0065 ALA C 2.433 H A 0066 LEU CA
H A 0065 ALA C 2.966 H A 0066 LEU C
H A 0065 ALA C 3.716 H A 0066 LEU CB
H A 0066 LEU C 2.437 H A 0067 HIS CA
H A 0066 LEU C 2.958 H A 0067 HIS C
H A 0066 LEU C 3.713 H A 0067 HIS CB
H A 0067 HIS C 2.434 H A 0068 GLU CA
H A 0067 HIS C 3.046 H A 0068 GLU C
H A 0067 HIS C 3.712 H A 0068 GLU CB
H A 0067 HIS C 3.797 H A 0070 VAL C
H A 0067 HIS CG 3.653 C A 0073 VAL CG2
H A 0067 HIS CE1 3.560 C A 0073 VAL CG2
H A 0068 GLU C 2.435 H A 0069 GLU CA
H A 0068 GLU C 3.190 H A 0069 GLU C
H A 0068 GLU C 3.675 H A 0069 GLU CB
H A 0069 GLU C 2.442 H A 0070 VAL CA
H A 0069 GLU C 3.660 H A 0070 VAL C
H A 0069 GLU C 3.242 H A 0070 VAL CB
H A 0069 GLU C 2.994 H A 0070 VAL CG2
H A 0069 GLU C 3.703 C A 0071 PRO CD
H A 0070 VAL CA 2.860 C A 0071 PRO CD
H A 0070 VAL C 2.459 C A 0071 PRO CA
H A 0070 VAL C 3.168 C A 0071 PRO C
H A 0070 VAL C 3.643 C A 0071 PRO CB
H A 0070 VAL C 3.591 C A 0071 PRO CG
H A 0070 VAL C 2.466 C A 0071 PRO CD
C A 0071 PRO C 2.436 C A 0072 GLY CA
C A 0071 PRO C 3.639 C A 0072 GLY C
C A 0072 GLY C 2.439 C A 0073 VAL CA
C A 0072 GLY C 3.046 C A 0073 VAL C
C A 0072 GLY C 3.711 C A 0073 VAL CB
C A 0073 VAL CA 3.788 C A 0074 ILE CA
C A 0073 VAL C 2.429 C A 0074 ILE CA
C A 0073 VAL C 3.528 C A 0074 ILE C
C A 0073 VAL C 3.425 C A 0074 ILE CB
C A 0073 VAL C 3.271 C A 0074 ILE CG1
C A 0074 ILE C 2.435 E A 0075 GLU CA
C A 0074 ILE C 3.694 E A 0075 GLU C
C A 0074 ILE C 3.113 E A 0075 GLU CB
E A 0075 GLU C 2.428 E A 0076 VAL CA
E A 0075 GLU C 3.665 E A 0076 VAL C
E A 0075 GLU C 3.202 E A 0076 VAL CB
E A 0075 GLU C 3.724 E A 0076 VAL CG1
E A 0076 VAL C 2.433 E A 0077 GLU CA
E A 0076 VAL C 3.330 E A 0077 GLU C
E A 0076 VAL C 3.606 E A 0077 GLU CB
E A 0076 VAL C 3.471 E A 0077 GLU CD
E A 0077 GLU CA 3.794 E A 0078 GLN CA
E A 0077 GLU C 2.428 E A 0078 GLN CA
E A 0077 GLU C 3.348 E A 0078 GLN C
E A 0077 GLU C 3.584 E A 0078 GLN CB
E A 0078 GLN CA 3.793 E A 0079 VAL CA
E A 0078 GLN C 2.426 E A 0079 VAL CA
E A 0078 GLN C 3.217 E A 0079 VAL C
E A 0078 GLN C 3.656 E A 0079 VAL CB
E A 0079 VAL C 2.431 E A 0080 PHE CA
E A 0079 VAL C 3.282 E A 0080 PHE C
E A 0079 VAL C 3.634 E A 0080 PHE CB
E A 0080 PHE C 2.428 C A 0081 LEU CA
E A 0080 PHE C 3.298 C A 0081 LEU C
E A 0080 PHE C 3.619 C A 0081 LEU CB
C A 0081 LEU CA 3.682 C A 0082 GLU CD
C A 0081 LEU C 2.440 C A 0082 GLU CA
C A 0081 LEU C 3.046 C A 0082 GLU C
C A 0081 LEU C 2.977 C A 0082 GLU CB
C A 0081 LEU C 3.283 C A 0082 GLU CG
C A 0081 LEU C 2.957 C A 0082 GLU CD
C A 0082 GLU C 2.442 C A 0083 HIS CA
C A 0082 GLU C 3.709 C A 0083 HIS C
C A 0082 GLU C 3.005 C A 0083 HIS CB
C A 0083 HIS C 2.434 C A 0084 HIS CA
C A 0083 HIS C 2.993 C A 0084 HIS C
C A 0083 HIS C 3.724 C A 0084 HIS CB
C A 0084 HIS C 2.435 C A 0085 HIS CA
C A 0084 HIS C 3.586 C A 0085 HIS C
C A 0084 HIS C 3.367 C A 0085 HIS CB
C A 0085 HIS C 2.440 C A 0086 HIS CA
C A 0085 HIS C 2.941 C A 0086 HIS C
C A 0085 HIS C 3.717 C A 0086 HIS CB
C A 0086 HIS C 2.432 C A 0087 HIS CA
C A 0086 HIS C 3.697 C A 0087 HIS C
C A 0086 HIS C 3.103 C A 0087 HIS CB
C A 0087 HIS C 2.434 C A 0088 HIS CA
C A 0087 HIS C 2.993 C A 0088 HIS C
C A 0087 HIS C 3.000 C A 0088 HIS CB
CHARGE_ATTR 2.00 12.00 89
H A 0010 ASP OD2 11.65 H A 0018 ARG NH1
H A 0014 GLU OE1 8.262 H A 0018 ARG NH1
H A 0014 GLU OE1 10.25 H A 0018 ARG NH2
H A 0014 GLU OE2 6.309 H A 0018 ARG NH1
H A 0014 GLU OE2 8.409 H A 0018 ARG NH2
H A 0017 GLU OE1 7.854 H A 0018 ARG NH1
H A 0017 GLU OE1 8.493 H A 0018 ARG NH2
H A 0017 GLU OE2 5.869 H A 0018 ARG NH1
H A 0017 GLU OE2 6.513 H A 0018 ARG NH2
H A 0017 GLU OE1 6.592 H A 0020 ARG NH1
H A 0017 GLU OE1 8.652 H A 0020 ARG NH2
H A 0017 GLU OE2 8.045 H A 0020 ARG NH1
H A 0017 GLU OE2 9.959 H A 0020 ARG NH2
H A 0026 ASP OD1 6.582 H A 0025 ARG NH1
H A 0026 ASP OD1 4.710 H A 0025 ARG NH2
H A 0026 ASP OD2 8.186 H A 0025 ARG NH1
H A 0026 ASP OD2 6.295 H A 0025 ARG NH2
H A 0026 ASP OD1 10.36 C A 0083 HIS ND1
H A 0026 ASP OD1 10.08 C A 0083 HIS NE2
H A 0026 ASP OD2 10.19 C A 0083 HIS ND1
H A 0026 ASP OD2 10.02 C A 0083 HIS NE2
H A 0026 ASP OD1 10.17 C A 0085 HIS NE2
H A 0026 ASP OD2 10.72 C A 0085 HIS ND1
H A 0026 ASP OD2 9.006 C A 0085 HIS NE2
E A 0029 ASP OD1 5.026 H A 0020 ARG NH1
E A 0029 ASP OD1 3.883 H A 0020 ARG NH2
E A 0029 ASP OD2 6.529 H A 0020 ARG NH1
E A 0029 ASP OD2 4.862 H A 0020 ARG NH2
E A 0029 ASP OD1 6.148 E A 0045 HIS ND1
E A 0029 ASP OD1 5.042 E A 0045 HIS NE2
E A 0029 ASP OD2 4.954 E A 0045 HIS ND1
E A 0029 ASP OD2 4.624 E A 0045 HIS NE2
E A 0029 ASP OD1 10.55 C A 0083 HIS ND1
E A 0029 ASP OD1 10.84 C A 0083 HIS NE2
E A 0029 ASP OD2 9.170 C A 0083 HIS ND1
E A 0029 ASP OD2 9.187 C A 0083 HIS NE2
E A 0034 ASP OD1 8.154 E A 0041 LYS NZ
E A 0034 ASP OD2 6.654 E A 0041 LYS NZ
C A 0036 GLU OE1 8.810 E A 0041 LYS NZ
C A 0036 GLU OE2 8.249 E A 0041 LYS NZ
H A 0063 GLU OE2 10.42 E A 0041 LYS NZ
H A 0063 GLU OE1 6.703 H A 0059 LYS NZ
H A 0063 GLU OE2 6.931 H A 0059 LYS NZ
H A 0063 GLU OE1 11.34 H A 0064 ARG NH1
H A 0063 GLU OE1 10.18 H A 0064 ARG NH2
H A 0063 GLU OE2 11.22 H A 0064 ARG NH2
H A 0063 GLU OE1 7.882 H A 0067 HIS ND1
H A 0063 GLU OE1 6.212 H A 0067 HIS NE2
H A 0063 GLU OE2 7.172 H A 0067 HIS ND1
H A 0063 GLU OE2 5.161 H A 0067 HIS NE2
H A 0068 GLU OE1 7.298 H A 0064 ARG NH1
H A 0068 GLU OE1 8.545 H A 0064 ARG NH2
H A 0068 GLU OE2 8.521 H A 0064 ARG NH1
H A 0068 GLU OE2 10.03 H A 0064 ARG NH2
H A 0068 GLU OE1 8.560 H A 0067 HIS ND1
H A 0068 GLU OE1 10.04 H A 0067 HIS NE2
H A 0068 GLU OE2 8.390 H A 0067 HIS ND1
H A 0068 GLU OE2 10.04 H A 0067 HIS NE2
H A 0069 GLU OE1 10.95 H A 0067 HIS ND1
H A 0069 GLU OE1 10.70 H A 0067 HIS NE2
E A 0075 GLU OE1 6.926 E A 0041 LYS NZ
E A 0075 GLU OE2 9.073 E A 0041 LYS NZ
E A 0075 GLU OE1 10.89 H A 0059 LYS NZ
E A 0075 GLU OE2 11.64 H A 0059 LYS NZ
E A 0075 GLU OE1 10.72 H A 0067 HIS ND1
E A 0075 GLU OE1 9.751 H A 0067 HIS NE2
E A 0075 GLU OE2 10.47 H A 0067 HIS ND1
E A 0075 GLU OE2 9.932 H A 0067 HIS NE2
E A 0077 GLU OE1 3.021 E A 0041 LYS NZ
E A 0077 GLU OE2 4.920 E A 0041 LYS NZ
E A 0077 GLU OE1 10.45 H A 0059 LYS NZ
E A 0077 GLU OE2 9.452 H A 0059 LYS NZ
E A 0077 GLU OE1 11.61 H A 0067 HIS ND1
E A 0077 GLU OE1 9.929 H A 0067 HIS NE2
E A 0077 GLU OE2 10.14 H A 0067 HIS ND1
E A 0077 GLU OE2 8.655 H A 0067 HIS NE2
C A 0082 GLU OE1 9.324 E A 0045 HIS ND1
C A 0082 GLU OE1 11.06 E A 0045 HIS NE2
C A 0082 GLU OE2 9.660 E A 0045 HIS ND1
C A 0082 GLU OE2 11.12 E A 0045 HIS NE2
C A 0082 GLU OE2 11.38 H A 0059 LYS NZ
C A 0082 GLU OE1 10.31 C A 0083 HIS ND1
C A 0082 GLU OE1 10.97 C A 0083 HIS NE2
C A 0082 GLU OE2 10.62 C A 0083 HIS ND1
C A 0082 GLU OE2 11.67 C A 0083 HIS NE2
C A 0082 GLU OE1 8.494 C A 0084 HIS ND1
C A 0082 GLU OE1 9.517 C A 0084 HIS NE2
C A 0082 GLU OE2 10.05 C A 0084 HIS ND1
C A 0082 GLU OE2 11.12 C A 0084 HIS NE2
CHARGE_REPU 2.00 12.00 111
H A 0010 ASP OD1 5.276 H A 0014 GLU OE1
H A 0010 ASP OD1 6.942 H A 0014 GLU OE2
H A 0010 ASP OD2 3.580 H A 0014 GLU OE1
H A 0010 ASP OD2 5.501 H A 0014 GLU OE2
H A 0010 ASP OD1 11.25 H A 0017 GLU OE1
H A 0010 ASP OD1 11.15 H A 0017 GLU OE2
H A 0010 ASP OD2 11.34 H A 0017 GLU OE1
H A 0010 ASP OD2 10.83 H A 0017 GLU OE2
H A 0014 GLU OE1 9.571 H A 0017 GLU OE1
H A 0014 GLU OE1 8.483 H A 0017 GLU OE2
H A 0014 GLU OE2 8.847 H A 0017 GLU OE1
H A 0014 GLU OE2 7.498 H A 0017 GLU OE2
H A 0017 GLU OE1 9.339 E A 0029 ASP OD1
H A 0017 GLU OE1 11.19 E A 0029 ASP OD2
H A 0017 GLU OE2 9.943 E A 0029 ASP OD1
H A 0017 GLU OE2 11.88 E A 0029 ASP OD2
H A 0020 ARG NH1 8.539 E A 0045 HIS ND1
H A 0020 ARG NH1 6.583 E A 0045 HIS NE2
H A 0020 ARG NH2 6.315 E A 0045 HIS ND1
H A 0020 ARG NH2 4.451 E A 0045 HIS NE2
H A 0026 ASP OD1 11.47 E A 0029 ASP OD1
H A 0026 ASP OD1 11.20 E A 0029 ASP OD2
E A 0034 ASP OD1 4.931 C A 0036 GLU OE1
E A 0034 ASP OD1 2.836 C A 0036 GLU OE2
E A 0034 ASP OD2 4.593 C A 0036 GLU OE1
E A 0034 ASP OD2 3.056 C A 0036 GLU OE2
E A 0034 ASP OD1 10.09 C A 0037 ASP OD1
E A 0034 ASP OD1 11.96 C A 0037 ASP OD2
E A 0034 ASP OD2 10.70 C A 0037 ASP OD1
E A 0034 ASP OD2 11.77 E A 0075 GLU OE1
E A 0034 ASP OD1 9.209 E A 0077 GLU OE1
E A 0034 ASP OD1 11.20 E A 0077 GLU OE2
E A 0034 ASP OD2 7.991 E A 0077 GLU OE1
E A 0034 ASP OD2 10.07 E A 0077 GLU OE2
C A 0036 GLU OE1 6.505 C A 0037 ASP OD1
C A 0036 GLU OE1 8.204 C A 0037 ASP OD2
C A 0036 GLU OE2 7.658 C A 0037 ASP OD1
C A 0036 GLU OE2 9.466 C A 0037 ASP OD2
C A 0036 GLU OE1 11.16 E A 0075 GLU OE1
C A 0036 GLU OE2 11.77 E A 0075 GLU OE1
C A 0036 GLU OE1 8.634 E A 0077 GLU OE1
C A 0036 GLU OE1 10.19 E A 0077 GLU OE2
C A 0036 GLU OE2 8.524 E A 0077 GLU OE1
C A 0036 GLU OE2 10.31 E A 0077 GLU OE2
E A 0041 LYS NZ 11.16 H A 0059 LYS NZ
E A 0045 HIS ND1 8.555 C A 0083 HIS ND1
E A 0045 HIS ND1 9.008 C A 0083 HIS NE2
E A 0045 HIS NE2 10.05 C A 0083 HIS ND1
E A 0045 HIS NE2 10.67 C A 0083 HIS NE2
E A 0045 HIS ND1 11.55 C A 0084 HIS NE2
H A 0059 LYS NZ 12.00 H A 0067 HIS ND1
H A 0059 LYS NZ 10.60 H A 0067 HIS NE2
H A 0063 GLU OE1 10.82 H A 0069 GLU OE1
H A 0063 GLU OE2 11.47 H A 0069 GLU OE1
H A 0063 GLU OE2 10.24 E A 0075 GLU OE1
H A 0063 GLU OE2 11.19 E A 0075 GLU OE2
H A 0063 GLU OE1 10.84 E A 0077 GLU OE1
H A 0063 GLU OE1 10.03 E A 0077 GLU OE2
H A 0063 GLU OE2 8.830 E A 0077 GLU OE1
H A 0063 GLU OE2 8.091 E A 0077 GLU OE2
H A 0064 ARG NH1 8.264 H A 0067 HIS ND1
H A 0064 ARG NH1 9.683 H A 0067 HIS NE2
H A 0064 ARG NH2 8.830 H A 0067 HIS ND1
H A 0064 ARG NH2 9.793 H A 0067 HIS NE2
H A 0068 GLU OE1 8.796 H A 0069 GLU OE1
H A 0068 GLU OE1 9.578 H A 0069 GLU OE2
H A 0068 GLU OE2 9.291 H A 0069 GLU OE1
H A 0068 GLU OE2 9.863 H A 0069 GLU OE2
E A 0075 GLU OE1 4.464 E A 0077 GLU OE1
E A 0075 GLU OE1 2.880 E A 0077 GLU OE2
E A 0075 GLU OE2 6.582 E A 0077 GLU OE1
E A 0075 GLU OE2 4.828 E A 0077 GLU OE2
C A 0083 HIS ND1 8.357 C A 0084 HIS ND1
C A 0083 HIS ND1 7.717 C A 0084 HIS NE2
C A 0083 HIS NE2 7.470 C A 0084 HIS ND1
C A 0083 HIS NE2 6.338 C A 0084 HIS NE2
C A 0083 HIS ND1 8.430 C A 0085 HIS ND1
C A 0083 HIS ND1 7.965 C A 0085 HIS NE2
C A 0083 HIS NE2 7.650 C A 0085 HIS ND1
C A 0083 HIS NE2 6.870 C A 0085 HIS NE2
C A 0083 HIS NE2 10.96 C A 0086 HIS ND1
C A 0084 HIS ND1 9.705 C A 0085 HIS ND1
C A 0084 HIS ND1 10.23 C A 0085 HIS NE2
C A 0084 HIS NE2 9.276 C A 0085 HIS ND1
C A 0084 HIS NE2 9.331 C A 0085 HIS NE2
C A 0084 HIS ND1 9.709 C A 0086 HIS ND1
C A 0084 HIS ND1 11.75 C A 0086 HIS NE2
C A 0084 HIS NE2 8.930 C A 0086 HIS ND1
C A 0084 HIS NE2 10.76 C A 0086 HIS NE2
C A 0085 HIS ND1 6.646 C A 0086 HIS ND1
C A 0085 HIS ND1 7.892 C A 0086 HIS NE2
C A 0085 HIS NE2 6.828 C A 0086 HIS ND1
C A 0085 HIS NE2 7.690 C A 0086 HIS NE2
C A 0085 HIS ND1 7.063 C A 0087 HIS ND1
C A 0085 HIS ND1 8.237 C A 0087 HIS NE2
C A 0085 HIS NE2 8.406 C A 0087 HIS ND1
C A 0085 HIS NE2 9.887 C A 0087 HIS NE2
C A 0085 HIS ND1 7.258 C A 0088 HIS ND1
C A 0085 HIS ND1 7.983 C A 0088 HIS NE2
C A 0085 HIS NE2 8.914 C A 0088 HIS ND1
C A 0085 HIS NE2 9.259 C A 0088 HIS NE2
C A 0086 HIS ND1 6.434 C A 0087 HIS ND1
C A 0086 HIS ND1 7.424 C A 0087 HIS NE2
C A 0086 HIS NE2 6.865 C A 0087 HIS ND1
C A 0086 HIS NE2 8.205 C A 0087 HIS NE2
C A 0086 HIS ND1 10.82 C A 0088 HIS ND1
C A 0086 HIS NE2 11.54 C A 0088 HIS ND1
C A 0087 HIS ND1 5.631 C A 0088 HIS ND1
C A 0087 HIS ND1 7.184 C A 0088 HIS NE2
C A 0087 HIS NE2 6.128 C A 0088 HIS ND1
C A 0087 HIS NE2 8.065 C A 0088 HIS NE2
HB_MM 2.00 3.20 151
C A 0002 PRO N 2.222 C A 0001 MET O
C A 0003 THR N 2.257 C A 0002 PRO O
C A 0004 GLU N 2.254 C A 0003 THR O
C A 0005 ASN N 2.834 C A 0003 THR O
C A 0005 ASN N 2.262 C A 0004 GLU O
C A 0006 PRO N 2.214 C A 0005 ASN O
H A 0007 THR N 2.400 C A 0005 ASN O
H A 0007 THR N 2.260 C A 0006 PRO O
H A 0008 MET N 2.255 H A 0007 THR O
H A 0009 PHE N 2.258 H A 0008 MET O
H A 0010 ASP N 3.047 H A 0007 THR O
H A 0010 ASP N 2.980 H A 0008 MET O
H A 0010 ASP N 2.250 H A 0009 PHE O
H A 0011 GLN N 2.718 H A 0008 MET O
H A 0011 GLN N 2.253 H A 0010 ASP O
H A 0012 VAL N 2.703 H A 0008 MET O
H A 0012 VAL N 2.248 H A 0011 GLN O
H A 0013 ALA N 2.720 H A 0009 PHE O
H A 0013 ALA N 2.245 H A 0012 VAL O
H A 0014 GLU N 2.699 H A 0010 ASP O
H A 0014 GLU N 2.933 H A 0011 GLN O
H A 0014 GLU N 3.120 H A 0012 VAL O
H A 0014 GLU N 2.261 H A 0013 ALA O
H A 0015 VAL N 2.662 H A 0011 GLN O
H A 0015 VAL N 2.250 H A 0014 GLU O
H A 0016 ILE N 2.612 H A 0012 VAL O
H A 0016 ILE N 2.250 H A 0015 VAL O
H A 0017 GLU N 3.079 H A 0013 ALA O
H A 0017 GLU N 2.254 H A 0016 ILE O
H A 0018 ARG N 3.146 H A 0014 GLU O
H A 0018 ARG N 3.082 H A 0015 VAL O
H A 0018 ARG N 2.951 H A 0016 ILE O
H A 0018 ARG N 2.250 H A 0017 GLU O
H A 0019 LEU N 2.830 H A 0015 VAL O
H A 0019 LEU N 2.967 H A 0016 ILE O
H A 0019 LEU N 2.253 H A 0018 ARG O
H A 0020 ARG N 2.626 H A 0016 ILE O
H A 0020 ARG N 2.255 H A 0019 LEU O
H A 0021 PRO N 3.066 H A 0019 LEU O
H A 0021 PRO N 2.225 H A 0020 ARG O
H A 0022 PHE N 2.666 H A 0019 LEU O
H A 0022 PHE N 2.961 H A 0020 ARG O
H A 0022 PHE N 2.253 H A 0021 PRO O
H A 0023 LEU N 2.867 H A 0019 LEU O
H A 0023 LEU N 2.843 H A 0020 ARG O
H A 0023 LEU N 2.255 H A 0022 PHE O
H A 0024 LEU N 2.779 H A 0020 ARG O
H A 0024 LEU N 2.250 H A 0023 LEU O
H A 0024 LEU N 2.557 C A 0028 GLY O
H A 0025 ARG N 3.192 H A 0023 LEU O
H A 0025 ARG N 2.251 H A 0024 LEU O
H A 0026 ASP N 3.095 H A 0023 LEU O
H A 0026 ASP N 2.252 H A 0025 ARG O
H A 0027 GLY N 2.481 H A 0023 LEU O
H A 0027 GLY N 2.251 H A 0026 ASP O
C A 0028 GLY N 2.556 H A 0023 LEU O
C A 0028 GLY N 2.249 H A 0027 GLY O
E A 0029 ASP N 2.246 C A 0028 GLY O
E A 0029 ASP N 2.596 E A 0045 HIS O
E A 0030 CYS N 2.253 E A 0029 ASP O
E A 0031 THR N 2.253 E A 0030 CYS O
E A 0031 THR N 2.866 E A 0043 GLN O
E A 0032 LEU N 2.253 E A 0031 THR O
E A 0033 VAL N 2.254 E A 0032 LEU O
E A 0033 VAL N 2.716 E A 0041 LYS O
E A 0034 ASP N 2.253 E A 0033 VAL O
E A 0034 ASP N 2.941 E A 0041 LYS O
C A 0035 VAL N 2.257 E A 0034 ASP O
C A 0036 GLU N 2.253 C A 0035 VAL O
C A 0037 ASP N 2.255 C A 0036 GLU O
C A 0038 GLY N 3.163 C A 0036 GLU O
C A 0038 GLY N 2.256 C A 0037 ASP O
E A 0039 ILE N 2.255 C A 0038 GLY O
E A 0040 VAL N 2.947 C A 0038 GLY O
E A 0040 VAL N 2.250 E A 0039 ILE O
E A 0041 LYS N 3.009 E A 0034 ASP O
E A 0041 LYS N 2.256 E A 0040 VAL O
E A 0042 LEU N 2.256 E A 0041 LYS O
E A 0042 LEU N 3.101 E A 0077 GLU O
E A 0043 GLN N 2.714 E A 0031 THR O
E A 0043 GLN N 2.255 E A 0042 LEU O
E A 0044 LEU N 2.258 E A 0043 GLN O
E A 0044 LEU N 3.062 E A 0079 VAL O
E A 0045 HIS N 2.778 E A 0029 ASP O
E A 0045 HIS N 2.251 E A 0044 LEU O
C A 0046 GLY N 2.254 E A 0045 HIS O
C A 0047 ALA N 2.254 C A 0046 GLY O
C A 0048 CYS N 2.253 C A 0047 ALA O
C A 0049 GLY N 2.254 C A 0048 CYS O
C A 0050 THR N 2.255 C A 0049 GLY O
C A 0051 CYS N 2.255 C A 0050 THR O
H A 0052 PRO N 2.224 C A 0051 CYS O
H A 0053 SER N 2.254 H A 0052 PRO O
H A 0054 SER N 2.256 H A 0053 SER O
H A 0055 THR N 2.255 H A 0054 SER O
H A 0056 ILE N 3.149 H A 0054 SER O
H A 0056 ILE N 2.252 H A 0055 THR O
H A 0057 THR N 3.004 H A 0054 SER O
H A 0057 THR N 2.256 H A 0056 ILE O
H A 0058 LEU N 2.949 H A 0054 SER O
H A 0058 LEU N 2.256 H A 0057 THR O
H A 0059 LYS N 2.605 H A 0055 THR O
H A 0059 LYS N 2.256 H A 0058 LEU O
H A 0060 ALA N 2.253 H A 0059 LYS O
H A 0061 GLY N 3.039 H A 0057 THR O
H A 0061 GLY N 2.663 H A 0058 LEU O
H A 0061 GLY N 3.133 H A 0059 LYS O
H A 0061 GLY N 2.256 H A 0060 ALA O
H A 0062 ILE N 2.839 H A 0058 LEU O
H A 0062 ILE N 2.255 H A 0061 GLY O
H A 0063 GLU N 3.077 H A 0059 LYS O
H A 0063 GLU N 2.254 H A 0062 ILE O
H A 0064 ARG N 3.074 H A 0060 ALA O
H A 0064 ARG N 3.157 H A 0062 ILE O
H A 0064 ARG N 2.255 H A 0063 GLU O
H A 0065 ALA N 3.040 H A 0061 GLY O
H A 0065 ALA N 2.829 H A 0062 ILE O
H A 0065 ALA N 2.254 H A 0064 ARG O
H A 0066 LEU N 2.715 H A 0062 ILE O
H A 0066 LEU N 3.072 H A 0063 GLU O
H A 0066 LEU N 2.253 H A 0065 ALA O
H A 0067 HIS N 2.912 H A 0063 GLU O
H A 0067 HIS N 2.252 H A 0066 LEU O
H A 0068 GLU N 2.833 H A 0064 ARG O
H A 0068 GLU N 2.253 H A 0067 HIS O
H A 0069 GLU N 2.685 H A 0065 ALA O
H A 0069 GLU N 3.102 H A 0066 LEU O
H A 0069 GLU N 2.254 H A 0068 GLU O
H A 0070 VAL N 2.562 H A 0066 LEU O
H A 0070 VAL N 2.254 H A 0069 GLU O
C A 0071 PRO N 2.910 H A 0067 HIS O
C A 0071 PRO N 2.222 H A 0070 VAL O
C A 0072 GLY N 2.256 C A 0071 PRO O
C A 0073 VAL N 2.257 C A 0072 GLY O
C A 0074 ILE N 2.255 C A 0073 VAL O
E A 0075 GLU N 2.253 C A 0074 ILE O
E A 0076 VAL N 2.247 E A 0075 GLU O
E A 0077 GLU N 3.156 E A 0040 VAL O
E A 0077 GLU N 2.254 E A 0076 VAL O
E A 0078 GLN N 2.255 E A 0077 GLU O
E A 0079 VAL N 2.250 E A 0078 GLN O
E A 0080 PHE N 2.248 E A 0079 VAL O
C A 0081 LEU N 2.807 E A 0044 LEU O
C A 0081 LEU N 2.253 E A 0080 PHE O
C A 0082 GLU N 2.256 C A 0081 LEU O
C A 0083 HIS N 2.256 C A 0082 GLU O
C A 0084 HIS N 2.255 C A 0083 HIS O
C A 0085 HIS N 2.253 C A 0084 HIS O
C A 0086 HIS N 2.258 C A 0085 HIS O
C A 0087 HIS N 2.252 C A 0086 HIS O
C A 0088 HIS N 2.254 C A 0087 HIS O
HB_MS 2.00 3.20 9
C A 0002 PRO O 2.509 C A 0003 THR OG1
H A 0018 ARG N 2.981 H A 0017 GLU OE2
H A 0027 GLY O 3.027 C A 0083 HIS ND1
E A 0030 CYS O 2.869 E A 0031 THR OG1
C A 0035 VAL N 2.978 E A 0034 ASP OD1
C A 0048 CYS O 3.184 C A 0084 HIS ND1
C A 0051 CYS N 2.907 C A 0050 THR OG1
H A 0055 THR N 2.743 H A 0054 SER OG
C A 0087 HIS O 2.725 C A 0085 HIS ND1
AROMATIC 0.00 8.00 3
H A 0059 LYS 4.753 E A 0080 PHE
H A 0025 ARG 6.639 H A 0022 PHE
H A 0020 ARG 5.714 E A 0045 HIS