Complet list of 1rgd con file
Complete list of 1rgd.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 334
C A 0001 CYS CA 3.776 C A 0002 LEU CA
C A 0001 CYS C 2.502 C A 0002 LEU CA
C A 0001 CYS C 2.988 C A 0002 LEU C
C A 0001 CYS C 3.683 C A 0002 LEU CB
C A 0001 CYS CA 3.795 C A 0008 ALA CB
C A 0002 LEU C 2.474 C A 0003 VAL CA
C A 0002 LEU C 3.429 C A 0003 VAL C
C A 0002 LEU C 3.639 C A 0003 VAL CB
C A 0002 LEU C 3.757 C A 0003 VAL CG2
C A 0002 LEU CD1 3.567 C A 0016 LEU C
C A 0003 VAL C 2.504 C A 0004 CYS CA
C A 0003 VAL C 3.253 C A 0004 CYS C
C A 0003 VAL C 3.783 C A 0004 CYS CB
C A 0003 VAL CG1 3.450 C A 0045 ILE CG2
C A 0003 VAL CG1 3.723 H A 0060 LYS CB
C A 0003 VAL CG1 3.761 H A 0060 LYS CE
C A 0003 VAL CG2 3.723 H A 0060 LYS C
C A 0003 VAL CG2 3.436 H A 0064 ALA CB
C A 0004 CYS CA 3.797 C A 0005 SER CA
C A 0004 CYS C 2.507 C A 0005 SER CA
C A 0004 CYS C 3.452 C A 0005 SER C
C A 0004 CYS C 3.058 C A 0005 SER CB
C A 0005 SER C 2.516 C A 0006 ASP CA
C A 0005 SER C 3.059 C A 0006 ASP C
C A 0005 SER C 3.713 C A 0006 ASP CB
C A 0006 ASP C 2.478 C A 0007 GLU CA
C A 0006 ASP C 3.027 C A 0007 GLU C
C A 0006 ASP C 3.588 C A 0007 GLU CB
C A 0007 GLU CA 3.667 C A 0008 ALA CA
C A 0007 GLU C 2.543 C A 0008 ALA CA
C A 0007 GLU C 3.505 C A 0008 ALA C
C A 0007 GLU C 3.420 C A 0008 ALA CB
C A 0008 ALA C 2.489 C A 0009 SER CA
C A 0008 ALA C 3.595 C A 0009 SER C
C A 0008 ALA C 3.427 C A 0009 SER CB
C A 0008 ALA CB 3.314 C A 0016 LEU C
C A 0008 ALA CB 3.449 C A 0017 THR C
C A 0009 SER C 2.488 C A 0010 GLY CA
C A 0009 SER C 3.059 C A 0010 GLY C
C A 0009 SER C 3.515 C A 0016 LEU CB
C A 0010 GLY C 2.506 C A 0011 CYS CA
C A 0010 GLY C 3.111 C A 0011 CYS C
C A 0010 GLY C 3.220 C A 0011 CYS CB
C A 0011 CYS C 2.480 C A 0012 HIS CA
C A 0011 CYS C 3.113 C A 0012 HIS C
C A 0011 CYS C 3.729 C A 0012 HIS CB
C A 0012 HIS C 2.448 C A 0013 TYR CA
C A 0012 HIS C 3.181 C A 0013 TYR C
C A 0012 HIS C 3.684 C A 0013 TYR CB
C A 0012 HIS C 3.399 C A 0013 TYR CD1
C A 0013 TYR C 2.511 C A 0014 GLY CA
C A 0013 TYR C 3.183 C A 0014 GLY C
C A 0013 TYR CB 3.596 H A 0022 LYS CE
C A 0013 TYR CD2 3.518 H A 0022 LYS C
C A 0013 TYR CD2 3.352 H A 0022 LYS CG
C A 0013 TYR CE2 3.432 H A 0022 LYS C
C A 0013 TYR CE2 3.523 H A 0022 LYS CG
C A 0013 TYR CE2 3.476 H A 0026 LYS CB
C A 0013 TYR CE2 3.574 H A 0026 LYS CG
C A 0013 TYR CZ 3.726 H A 0026 LYS CG
C A 0013 TYR CB 3.641 C A 0066 MET CE
C A 0013 TYR CG 3.408 C A 0068 LEU CD2
C A 0013 TYR CD1 3.589 C A 0068 LEU CD2
C A 0013 TYR CD2 3.235 C A 0068 LEU CD2
C A 0013 TYR CE2 3.559 C A 0068 LEU CD2
C A 0013 TYR C 3.730 C A 0070 ALA CA
C A 0014 GLY C 2.529 C A 0015 VAL CA
C A 0014 GLY C 3.042 C A 0015 VAL C
C A 0014 GLY C 3.764 C A 0015 VAL CB
C A 0014 GLY CA 3.787 C A 0070 ALA CB
C A 0015 VAL CA 3.689 C A 0016 LEU CA
C A 0015 VAL C 2.423 C A 0016 LEU CA
C A 0015 VAL C 3.429 C A 0016 LEU C
C A 0015 VAL C 3.569 C A 0016 LEU CB
C A 0015 VAL CG1 3.500 C A 0065 GLY C
C A 0015 VAL CB 3.641 C A 0066 MET CA
C A 0015 VAL CB 3.728 C A 0066 MET CB
C A 0015 VAL CG1 3.602 C A 0066 MET CA
C A 0015 VAL CG1 3.593 C A 0066 MET CB
C A 0016 LEU CA 3.709 C A 0017 THR CA
C A 0016 LEU C 2.488 C A 0017 THR CA
C A 0016 LEU C 2.998 C A 0017 THR C
C A 0016 LEU C 3.772 C A 0017 THR CB
C A 0017 THR C 2.399 C A 0018 CYS CA
C A 0017 THR C 2.978 C A 0018 CYS C
C A 0018 CYS C 2.495 H A 0019 GLY CA
C A 0018 CYS C 2.953 H A 0019 GLY C
H A 0019 GLY C 2.452 H A 0020 SER CA
H A 0019 GLY C 3.090 H A 0020 SER C
H A 0019 GLY C 3.724 H A 0020 SER CB
H A 0020 SER C 2.507 H A 0021 CYS CA
H A 0020 SER C 3.127 H A 0021 CYS C
H A 0020 SER C 3.773 H A 0021 CYS CB
H A 0020 SER C 3.603 H A 0024 PHE CB
H A 0021 CYS C 2.524 H A 0022 LYS CA
H A 0021 CYS C 3.272 H A 0022 LYS C
H A 0021 CYS C 3.582 H A 0022 LYS CB
H A 0021 CYS CA 3.446 H A 0024 PHE CB
H A 0021 CYS CA 3.549 H A 0024 PHE CD2
H A 0021 CYS C 3.396 H A 0024 PHE CB
H A 0022 LYS C 2.511 H A 0023 VAL CA
H A 0022 LYS C 3.038 H A 0023 VAL C
H A 0023 VAL CA 3.782 H A 0024 PHE CA
H A 0023 VAL C 2.488 H A 0024 PHE CA
H A 0023 VAL C 3.045 H A 0024 PHE C
H A 0023 VAL C 3.693 H A 0024 PHE CB
H A 0023 VAL C 3.696 H A 0026 LYS CB
H A 0023 VAL CG1 3.617 H A 0027 ARG CZ
H A 0024 PHE C 2.530 H A 0025 PHE CA
H A 0024 PHE C 2.891 H A 0025 PHE C
H A 0024 PHE C 3.728 H A 0025 PHE CB
H A 0024 PHE CD1 3.651 H A 0025 PHE CA
H A 0024 PHE C 3.773 H A 0028 ALA CB
H A 0024 PHE CD1 3.676 C A 0035 TYR CE2
H A 0024 PHE CE1 3.227 C A 0035 TYR CE2
H A 0024 PHE CZ 3.545 C A 0035 TYR CE2
H A 0024 PHE CE2 3.673 H A 0057 ARG CD
H A 0024 PHE CE1 3.714 H A 0058 TYR CA
H A 0024 PHE CE1 3.679 H A 0058 TYR CB
H A 0025 PHE C 2.484 H A 0026 LYS CA
H A 0025 PHE C 2.999 H A 0026 LYS C
H A 0025 PHE C 3.618 H A 0026 LYS CB
H A 0025 PHE C 3.692 H A 0028 ALA CB
H A 0025 PHE C 3.164 H A 0029 VAL CG2
H A 0025 PHE CG 3.721 H A 0029 VAL CG2
H A 0025 PHE CD2 3.414 H A 0029 VAL CG2
H A 0025 PHE CE2 3.442 H A 0029 VAL CG2
H A 0025 PHE CD1 3.427 H A 0058 TYR CD2
H A 0025 PHE CD1 3.242 H A 0058 TYR CE2
H A 0025 PHE CD1 3.759 H A 0058 TYR CZ
H A 0025 PHE CE1 3.728 H A 0058 TYR CD2
H A 0025 PHE CE1 3.507 H A 0058 TYR CE1
H A 0025 PHE CE1 3.266 H A 0058 TYR CE2
H A 0025 PHE CE1 3.210 H A 0058 TYR CZ
H A 0025 PHE CE1 3.679 H A 0062 LEU CD2
H A 0025 PHE CB 3.778 C A 0066 MET CE
H A 0025 PHE CG 3.749 C A 0066 MET CE
H A 0025 PHE CD2 3.392 C A 0066 MET CE
H A 0025 PHE CE2 3.534 C A 0067 ASN CA
H A 0025 PHE CD2 3.590 C A 0068 LEU CA
H A 0025 PHE CD2 3.652 C A 0068 LEU CB
H A 0025 PHE CE2 3.743 C A 0068 LEU CA
H A 0025 PHE CE2 3.720 C A 0068 LEU CB
H A 0026 LYS C 2.462 H A 0027 ARG CA
H A 0026 LYS C 3.193 H A 0027 ARG C
H A 0026 LYS C 3.753 H A 0027 ARG CB
H A 0026 LYS C 3.622 H A 0030 GLU CD
H A 0026 LYS CD 3.746 H A 0030 GLU CD
H A 0026 LYS CB 3.767 C A 0068 LEU CD2
H A 0026 LYS CG 3.358 C A 0068 LEU CD2
H A 0027 ARG C 2.569 H A 0028 ALA CA
H A 0027 ARG C 3.109 H A 0028 ALA C
H A 0027 ARG C 3.717 H A 0028 ALA CB
H A 0027 ARG CA 3.797 H A 0030 GLU CB
H A 0027 ARG C 3.654 H A 0030 GLU CB
H A 0028 ALA C 2.611 H A 0029 VAL CA
H A 0028 ALA C 2.962 H A 0029 VAL C
H A 0028 ALA C 3.509 C A 0032 GLN C
H A 0028 ALA CB 3.401 C A 0035 TYR CE1
H A 0028 ALA CB 3.334 C A 0035 TYR CZ
H A 0028 ALA CB 3.775 H A 0058 TYR CE2
H A 0029 VAL CA 3.736 H A 0030 GLU CA
H A 0029 VAL C 2.510 H A 0030 GLU CA
H A 0029 VAL C 3.168 H A 0030 GLU C
H A 0029 VAL C 3.677 H A 0030 GLU CB
H A 0030 GLU C 2.484 C A 0031 GLY CA
H A 0030 GLU C 3.515 C A 0031 GLY C
C A 0031 GLY C 2.482 C A 0032 GLN CA
C A 0031 GLY C 3.127 C A 0032 GLN C
C A 0031 GLY C 3.682 C A 0032 GLN CB
C A 0032 GLN C 2.432 C A 0033 HIS CA
C A 0032 GLN C 3.328 C A 0033 HIS C
C A 0032 GLN C 3.554 C A 0033 HIS CB
C A 0032 GLN CG 3.770 C A 0035 TYR CE1
C A 0032 GLN CD 3.700 C A 0035 TYR CE1
C A 0033 HIS C 2.515 C A 0034 ASN CA
C A 0033 HIS C 3.135 C A 0034 ASN C
C A 0033 HIS C 3.203 C A 0034 ASN CB
C A 0034 ASN C 2.385 C A 0035 TYR CA
C A 0034 ASN C 3.350 C A 0035 TYR C
C A 0034 ASN C 3.595 C A 0035 TYR CB
C A 0034 ASN C 3.563 C A 0035 TYR CD1
C A 0035 TYR C 2.474 C A 0036 LEU CA
C A 0035 TYR C 3.289 C A 0036 LEU C
C A 0035 TYR C 3.694 C A 0036 LEU CB
C A 0035 TYR CB 3.448 H A 0055 ALA CA
C A 0035 TYR CB 3.501 H A 0055 ALA C
C A 0035 TYR CD2 3.682 H A 0055 ALA CA
C A 0035 TYR CB 3.642 H A 0058 TYR CB
C A 0035 TYR CD2 3.434 H A 0058 TYR CB
C A 0035 TYR CE2 3.727 H A 0058 TYR CB
C A 0036 LEU C 2.501 C A 0037 CYS CA
C A 0036 LEU C 2.955 C A 0037 CYS C
C A 0036 LEU C 3.186 C A 0037 CYS CB
C A 0037 CYS CA 3.769 C A 0038 ALA CA
C A 0037 CYS C 2.523 C A 0038 ALA CA
C A 0037 CYS C 3.127 C A 0038 ALA C
C A 0037 CYS C 3.638 C A 0038 ALA CB
C A 0037 CYS CA 3.482 H A 0055 ALA CB
C A 0038 ALA C 2.483 C A 0039 GLY CA
C A 0038 ALA C 2.897 C A 0039 GLY C
C A 0039 GLY CA 3.775 C A 0040 ARG CA
C A 0039 GLY C 2.451 C A 0040 ARG CA
C A 0039 GLY C 3.411 C A 0040 ARG C
C A 0039 GLY C 3.345 C A 0040 ARG CB
C A 0040 ARG CA 3.791 C A 0041 ASN CA
C A 0040 ARG C 2.533 C A 0041 ASN CA
C A 0040 ARG C 3.075 C A 0041 ASN C
C A 0040 ARG C 3.645 C A 0041 ASN CB
C A 0040 ARG CZ 3.792 C A 0043 CYS CA
C A 0040 ARG CZ 3.735 C A 0043 CYS CB
C A 0041 ASN CA 3.795 C A 0042 ASP CA
C A 0041 ASN C 2.470 C A 0042 ASP CA
C A 0041 ASN C 3.101 C A 0042 ASP C
C A 0041 ASN C 3.201 C A 0042 ASP CB
C A 0041 ASN C 3.171 C A 0042 ASP CG
C A 0042 ASP CA 3.785 C A 0043 CYS CA
C A 0042 ASP C 2.491 C A 0043 CYS CA
C A 0042 ASP C 3.101 C A 0043 CYS C
C A 0042 ASP C 3.666 C A 0043 CYS CB
C A 0043 CYS CA 3.771 C A 0044 ILE CA
C A 0043 CYS C 2.449 C A 0044 ILE CA
C A 0043 CYS C 3.296 C A 0044 ILE C
C A 0043 CYS C 3.698 C A 0044 ILE CB
C A 0043 CYS C 3.574 C A 0044 ILE CD1
C A 0044 ILE C 2.461 C A 0045 ILE CA
C A 0044 ILE C 3.444 C A 0045 ILE C
C A 0044 ILE C 3.441 C A 0045 ILE CB
C A 0044 ILE C 3.752 C A 0045 ILE CD1
C A 0044 ILE CG2 3.642 C A 0046 ASP CB
C A 0044 ILE CG2 3.442 C A 0046 ASP CG
C A 0045 ILE CA 3.747 C A 0046 ASP CA
C A 0045 ILE C 2.435 C A 0046 ASP CA
C A 0045 ILE C 3.632 C A 0046 ASP C
C A 0045 ILE C 3.279 C A 0046 ASP CB
C A 0045 ILE C 3.325 C A 0046 ASP CG
C A 0045 ILE CG2 3.599 H A 0060 LYS CE
C A 0046 ASP C 2.612 C A 0047 LYS CA
C A 0046 ASP C 3.327 C A 0047 LYS C
C A 0046 ASP C 3.358 C A 0047 LYS CB
C A 0047 LYS CA 3.799 C A 0048 ILE CA
C A 0047 LYS C 2.519 C A 0048 ILE CA
C A 0047 LYS C 3.487 C A 0048 ILE C
C A 0047 LYS C 3.424 C A 0048 ILE CB
C A 0047 LYS C 3.709 C A 0048 ILE CG1
C A 0047 LYS CA 3.628 C A 0049 ARG CZ
C A 0047 LYS C 3.760 C A 0049 ARG CD
C A 0047 LYS C 3.738 C A 0049 ARG CZ
C A 0048 ILE C 2.530 C A 0049 ARG CA
C A 0048 ILE C 3.214 C A 0049 ARG C
C A 0048 ILE C 3.191 C A 0049 ARG CB
C A 0048 ILE C 3.675 C A 0049 ARG CD
C A 0048 ILE CG2 3.493 C A 0050 ARG CD
C A 0049 ARG C 2.451 C A 0050 ARG CA
C A 0049 ARG C 3.517 C A 0050 ARG C
C A 0049 ARG C 3.424 C A 0050 ARG CB
C A 0050 ARG C 2.455 C A 0051 LYS CA
C A 0050 ARG C 3.216 C A 0051 LYS C
C A 0050 ARG C 3.619 C A 0051 LYS CB
C A 0050 ARG CG 3.689 C A 0052 ASN CG
C A 0051 LYS C 2.505 C A 0052 ASN CA
C A 0051 LYS C 3.193 C A 0052 ASN C
C A 0051 LYS C 3.709 C A 0052 ASN CB
C A 0051 LYS CD 3.733 H A 0054 PRO CA
C A 0051 LYS CD 3.783 H A 0057 ARG CD
C A 0052 ASN C 2.491 C A 0053 CYS CA
C A 0052 ASN C 3.074 C A 0053 CYS CB
C A 0053 CYS CA 2.866 H A 0054 PRO CD
C A 0053 CYS C 2.480 H A 0054 PRO CA
C A 0053 CYS C 3.042 H A 0054 PRO C
C A 0053 CYS C 3.678 H A 0054 PRO CB
C A 0053 CYS C 3.603 H A 0054 PRO CG
C A 0053 CYS C 2.499 H A 0054 PRO CD
H A 0054 PRO C 2.470 H A 0055 ALA CA
H A 0054 PRO C 3.053 H A 0055 ALA C
H A 0054 PRO C 3.782 H A 0055 ALA CB
H A 0055 ALA C 2.485 H A 0056 CYS CA
H A 0055 ALA C 3.187 H A 0056 CYS C
H A 0055 ALA C 3.697 H A 0056 CYS CB
H A 0056 CYS C 2.436 H A 0057 ARG CA
H A 0056 CYS C 3.126 H A 0057 ARG C
H A 0056 CYS C 3.630 H A 0057 ARG CB
H A 0057 ARG C 2.491 H A 0058 TYR CA
H A 0057 ARG C 3.014 H A 0058 TYR C
H A 0057 ARG C 3.788 H A 0058 TYR CB
H A 0058 TYR C 2.480 H A 0059 ARG CA
H A 0058 TYR C 3.000 H A 0059 ARG C
H A 0058 TYR C 3.699 H A 0059 ARG CB
H A 0058 TYR CD1 3.772 H A 0062 LEU CD1
H A 0058 TYR CE1 3.770 H A 0062 LEU CD1
H A 0058 TYR CE1 3.706 H A 0062 LEU CD2
H A 0059 ARG CA 3.790 H A 0060 LYS CA
H A 0059 ARG C 2.425 H A 0060 LYS CA
H A 0059 ARG C 3.294 H A 0060 LYS C
H A 0059 ARG C 3.646 H A 0060 LYS CB
H A 0059 ARG C 3.424 H A 0063 GLN CD
H A 0060 LYS C 2.455 H A 0061 CYS CA
H A 0060 LYS C 3.008 H A 0061 CYS C
H A 0060 LYS C 3.731 H A 0061 CYS CB
H A 0060 LYS CA 3.707 H A 0063 GLN CB
H A 0061 CYS C 2.505 H A 0062 LEU CA
H A 0061 CYS C 3.121 H A 0062 LEU C
H A 0061 CYS C 3.780 H A 0062 LEU CB
H A 0062 LEU C 2.566 H A 0063 GLN CA
H A 0062 LEU C 3.215 H A 0063 GLN C
H A 0062 LEU C 3.657 H A 0063 GLN CB
H A 0063 GLN C 2.491 H A 0064 ALA CA
H A 0063 GLN C 3.097 H A 0064 ALA C
H A 0063 GLN C 3.723 H A 0064 ALA CB
H A 0064 ALA CA 3.756 C A 0065 GLY CA
H A 0064 ALA C 2.526 C A 0065 GLY CA
H A 0064 ALA C 3.535 C A 0065 GLY C
C A 0065 GLY CA 3.740 C A 0066 MET CA
C A 0065 GLY C 2.476 C A 0066 MET CA
C A 0065 GLY C 3.504 C A 0066 MET C
C A 0065 GLY C 3.658 C A 0066 MET CB
C A 0066 MET C 2.494 C A 0067 ASN CA
C A 0066 MET C 3.692 C A 0067 ASN C
C A 0066 MET C 3.254 C A 0067 ASN CB
C A 0066 MET CE 3.651 C A 0068 LEU CA
C A 0067 ASN CA 3.731 C A 0068 LEU CA
C A 0067 ASN C 2.583 C A 0068 LEU CA
C A 0067 ASN C 2.941 C A 0068 LEU C
C A 0067 ASN C 3.741 C A 0068 LEU CB
C A 0067 ASN CB 3.486 C A 0071 ARG CZ
C A 0068 LEU C 2.469 C A 0069 GLU CA
C A 0068 LEU C 3.175 C A 0069 GLU C
C A 0068 LEU C 3.728 C A 0069 GLU CB
C A 0069 GLU C 2.506 C A 0070 ALA CA
C A 0069 GLU C 3.000 C A 0070 ALA C
C A 0069 GLU C 3.472 C A 0070 ALA CB
C A 0070 ALA C 2.461 C A 0071 ARG CA
C A 0070 ALA C 3.018 C A 0071 ARG C
C A 0070 ALA C 3.727 C A 0071 ARG CB
CHARGE_ATTR 2.00 12.00 74
C A 0006 ASP OD2 11.53 H A 0022 LYS NZ
C A 0006 ASP OD1 9.629 C A 0049 ARG NH1
C A 0006 ASP OD1 9.365 C A 0049 ARG NH2
C A 0006 ASP OD2 11.01 C A 0049 ARG NH1
C A 0006 ASP OD2 10.39 C A 0049 ARG NH2
C A 0006 ASP OD2 11.63 C A 0051 LYS NZ
C A 0006 ASP OD1 7.520 H A 0057 ARG NH1
C A 0006 ASP OD1 6.106 H A 0057 ARG NH2
C A 0006 ASP OD2 6.492 H A 0057 ARG NH1
C A 0006 ASP OD2 4.643 H A 0057 ARG NH2
C A 0007 GLU OE1 9.495 H A 0022 LYS NZ
C A 0007 GLU OE2 11.64 H A 0022 LYS NZ
C A 0007 GLU OE1 11.78 H A 0057 ARG NH2
H A 0030 GLU OE1 10.76 C A 0012 HIS ND1
H A 0030 GLU OE2 9.529 C A 0012 HIS ND1
H A 0030 GLU OE2 10.90 C A 0012 HIS NE2
H A 0030 GLU OE1 4.131 H A 0026 LYS NZ
H A 0030 GLU OE2 5.064 H A 0026 LYS NZ
H A 0030 GLU OE1 7.591 H A 0027 ARG NH1
H A 0030 GLU OE1 6.865 H A 0027 ARG NH2
H A 0030 GLU OE2 9.291 H A 0027 ARG NH1
H A 0030 GLU OE2 8.544 H A 0027 ARG NH2
H A 0030 GLU OE1 11.71 C A 0033 HIS NE2
H A 0030 GLU OE2 11.09 C A 0033 HIS ND1
H A 0030 GLU OE2 10.51 C A 0033 HIS NE2
C A 0042 ASP OD1 8.930 C A 0040 ARG NH1
C A 0042 ASP OD1 6.674 C A 0040 ARG NH2
C A 0042 ASP OD2 8.090 C A 0040 ARG NH1
C A 0042 ASP OD2 5.856 C A 0040 ARG NH2
C A 0042 ASP OD2 10.31 C A 0047 LYS NZ
C A 0042 ASP OD2 10.71 C A 0050 ARG NH1
C A 0042 ASP OD2 10.73 C A 0050 ARG NH2
C A 0042 ASP OD1 6.646 H A 0059 ARG NH1
C A 0042 ASP OD1 5.514 H A 0059 ARG NH2
C A 0042 ASP OD2 6.387 H A 0059 ARG NH1
C A 0042 ASP OD2 5.654 H A 0059 ARG NH2
C A 0042 ASP OD1 9.052 H A 0060 LYS NZ
C A 0042 ASP OD2 7.429 H A 0060 LYS NZ
C A 0046 ASP OD1 11.03 C A 0040 ARG NH1
C A 0046 ASP OD1 10.60 C A 0040 ARG NH2
C A 0046 ASP OD2 10.55 C A 0040 ARG NH1
C A 0046 ASP OD2 9.770 C A 0040 ARG NH2
C A 0046 ASP OD1 6.287 C A 0047 LYS NZ
C A 0046 ASP OD2 4.544 C A 0047 LYS NZ
C A 0046 ASP OD1 8.411 C A 0049 ARG NH1
C A 0046 ASP OD1 6.954 C A 0049 ARG NH2
C A 0046 ASP OD2 8.453 C A 0049 ARG NH1
C A 0046 ASP OD2 7.003 C A 0049 ARG NH2
C A 0046 ASP OD1 7.325 C A 0050 ARG NH1
C A 0046 ASP OD1 9.304 C A 0050 ARG NH2
C A 0046 ASP OD2 7.071 C A 0050 ARG NH1
C A 0046 ASP OD2 8.902 C A 0050 ARG NH2
C A 0046 ASP OD1 11.99 C A 0051 LYS NZ
C A 0046 ASP OD1 7.526 H A 0057 ARG NH1
C A 0046 ASP OD1 7.936 H A 0057 ARG NH2
C A 0046 ASP OD2 9.667 H A 0057 ARG NH1
C A 0046 ASP OD2 10.14 H A 0057 ARG NH2
C A 0046 ASP OD1 8.364 H A 0059 ARG NH1
C A 0046 ASP OD1 9.594 H A 0059 ARG NH2
C A 0046 ASP OD2 8.196 H A 0059 ARG NH1
C A 0046 ASP OD2 9.021 H A 0059 ARG NH2
C A 0046 ASP OD1 3.255 H A 0060 LYS NZ
C A 0046 ASP OD2 3.177 H A 0060 LYS NZ
C A 0069 GLU OE1 6.850 C A 0012 HIS ND1
C A 0069 GLU OE1 7.467 C A 0012 HIS NE2
C A 0069 GLU OE2 4.893 C A 0012 HIS ND1
C A 0069 GLU OE2 5.695 C A 0012 HIS NE2
C A 0069 GLU OE2 10.89 H A 0022 LYS NZ
C A 0069 GLU OE1 10.05 H A 0026 LYS NZ
C A 0069 GLU OE2 8.689 H A 0026 LYS NZ
C A 0069 GLU OE1 10.80 C A 0033 HIS NE2
C A 0069 GLU OE1 11.29 C A 0071 ARG NH1
C A 0069 GLU OE1 9.943 C A 0071 ARG NH2
C A 0069 GLU OE2 11.59 C A 0071 ARG NH2
CHARGE_REPU 2.00 12.00 61
C A 0006 ASP OD1 8.115 C A 0007 GLU OE1
C A 0006 ASP OD1 8.738 C A 0007 GLU OE2
C A 0006 ASP OD2 7.974 C A 0007 GLU OE1
C A 0006 ASP OD2 9.125 C A 0007 GLU OE2
C A 0006 ASP OD1 10.90 C A 0046 ASP OD1
C A 0006 ASP OD2 10.60 C A 0046 ASP OD1
C A 0012 HIS ND1 7.910 H A 0022 LYS NZ
C A 0012 HIS NE2 9.522 H A 0022 LYS NZ
C A 0012 HIS ND1 9.226 H A 0026 LYS NZ
C A 0012 HIS NE2 11.06 H A 0026 LYS NZ
H A 0022 LYS NZ 10.74 H A 0026 LYS NZ
H A 0026 LYS NZ 4.822 H A 0027 ARG NH1
H A 0026 LYS NZ 4.107 H A 0027 ARG NH2
H A 0030 GLU OE1 9.179 C A 0069 GLU OE1
H A 0030 GLU OE1 8.387 C A 0069 GLU OE2
H A 0030 GLU OE2 7.023 C A 0069 GLU OE1
H A 0030 GLU OE2 6.449 C A 0069 GLU OE2
C A 0033 HIS ND1 11.66 C A 0071 ARG NH2
C A 0033 HIS NE2 10.77 C A 0071 ARG NH1
C A 0033 HIS NE2 9.566 C A 0071 ARG NH2
C A 0040 ARG NH1 7.072 C A 0050 ARG NH1
C A 0040 ARG NH1 5.727 C A 0050 ARG NH2
C A 0040 ARG NH2 7.764 C A 0050 ARG NH1
C A 0040 ARG NH2 6.801 C A 0050 ARG NH2
C A 0040 ARG NH1 9.279 H A 0059 ARG NH1
C A 0040 ARG NH1 10.52 H A 0059 ARG NH2
C A 0040 ARG NH2 7.962 H A 0059 ARG NH1
C A 0040 ARG NH2 8.821 H A 0059 ARG NH2
C A 0040 ARG NH1 8.839 H A 0060 LYS NZ
C A 0040 ARG NH2 8.037 H A 0060 LYS NZ
C A 0042 ASP OD1 10.65 C A 0046 ASP OD2
C A 0042 ASP OD2 10.20 C A 0046 ASP OD1
C A 0042 ASP OD2 8.675 C A 0046 ASP OD2
C A 0047 LYS NZ 7.233 C A 0049 ARG NH1
C A 0047 LYS NZ 5.854 C A 0049 ARG NH2
C A 0047 LYS NZ 8.821 C A 0050 ARG NH1
C A 0047 LYS NZ 10.54 C A 0050 ARG NH2
C A 0047 LYS NZ 11.95 H A 0059 ARG NH1
C A 0047 LYS NZ 7.535 H A 0060 LYS NZ
C A 0049 ARG NH1 8.687 C A 0050 ARG NH1
C A 0049 ARG NH1 10.71 C A 0050 ARG NH2
C A 0049 ARG NH2 9.089 C A 0050 ARG NH1
C A 0049 ARG NH2 11.26 C A 0050 ARG NH2
C A 0049 ARG NH1 11.63 H A 0057 ARG NH1
C A 0049 ARG NH1 11.57 H A 0057 ARG NH2
C A 0049 ARG NH2 11.00 H A 0057 ARG NH1
C A 0049 ARG NH2 10.71 H A 0057 ARG NH2
C A 0049 ARG NH1 11.11 H A 0060 LYS NZ
C A 0049 ARG NH2 9.839 H A 0060 LYS NZ
C A 0050 ARG NH1 10.38 H A 0057 ARG NH1
C A 0050 ARG NH1 11.89 H A 0057 ARG NH2
C A 0050 ARG NH2 11.99 H A 0057 ARG NH1
C A 0050 ARG NH1 11.51 H A 0059 ARG NH1
C A 0050 ARG NH1 7.445 H A 0060 LYS NZ
C A 0050 ARG NH2 8.826 H A 0060 LYS NZ
C A 0051 LYS NZ 6.010 H A 0057 ARG NH1
C A 0051 LYS NZ 7.887 H A 0057 ARG NH2
H A 0057 ARG NH1 8.969 H A 0060 LYS NZ
H A 0057 ARG NH2 9.867 H A 0060 LYS NZ
H A 0059 ARG NH1 5.316 H A 0060 LYS NZ
H A 0059 ARG NH2 6.628 H A 0060 LYS NZ
HB_MM 2.00 3.20 129
C A 0001 CYS N 2.875 C A 0006 ASP O
C A 0002 LEU N 2.280 C A 0001 CYS O
C A 0003 VAL N 2.847 C A 0001 CYS O
C A 0003 VAL N 2.277 C A 0002 LEU O
C A 0004 CYS N 2.283 C A 0003 VAL O
C A 0005 SER N 2.926 C A 0001 CYS O
C A 0005 SER N 2.272 C A 0004 CYS O
C A 0006 ASP N 2.270 C A 0005 SER O
C A 0007 GLU N 2.871 C A 0005 SER O
C A 0007 GLU N 2.214 C A 0006 ASP O
C A 0008 ALA N 2.293 C A 0007 GLU O
C A 0009 SER N 2.268 C A 0008 ALA O
C A 0010 GLY N 2.271 C A 0009 SER O
C A 0011 CYS N 2.264 C A 0010 GLY O
C A 0012 HIS N 2.239 C A 0011 CYS O
C A 0013 TYR N 2.250 C A 0012 HIS O
C A 0014 GLY N 2.982 C A 0011 CYS O
C A 0014 GLY N 3.180 C A 0012 HIS O
C A 0014 GLY N 2.271 C A 0013 TYR O
C A 0015 VAL N 2.772 C A 0013 TYR O
C A 0015 VAL N 2.265 C A 0014 GLY O
C A 0016 LEU N 3.065 C A 0014 GLY O
C A 0016 LEU N 2.269 C A 0015 VAL O
C A 0017 THR N 2.861 C A 0015 VAL O
C A 0017 THR N 2.244 C A 0016 LEU O
C A 0018 CYS N 2.223 C A 0017 THR O
H A 0019 GLY N 2.287 C A 0018 CYS O
H A 0020 SER N 2.947 C A 0018 CYS O
H A 0020 SER N 2.249 H A 0019 GLY O
H A 0021 CYS N 2.904 C A 0018 CYS O
H A 0021 CYS N 2.249 H A 0020 SER O
H A 0022 LYS N 2.843 H A 0020 SER O
H A 0022 LYS N 2.245 H A 0021 CYS O
H A 0023 VAL N 3.146 H A 0019 GLY O
H A 0023 VAL N 2.973 H A 0020 SER O
H A 0023 VAL N 2.235 H A 0022 LYS O
H A 0024 PHE N 2.788 H A 0020 SER O
H A 0024 PHE N 3.188 H A 0022 LYS O
H A 0024 PHE N 2.295 H A 0023 VAL O
H A 0025 PHE N 2.953 H A 0021 CYS O
H A 0025 PHE N 3.010 H A 0022 LYS O
H A 0025 PHE N 2.278 H A 0024 PHE O
H A 0026 LYS N 2.845 H A 0022 LYS O
H A 0026 LYS N 3.073 H A 0024 PHE O
H A 0026 LYS N 2.208 H A 0025 PHE O
H A 0027 ARG N 2.889 H A 0023 VAL O
H A 0027 ARG N 3.028 H A 0024 PHE O
H A 0027 ARG N 2.262 H A 0026 LYS O
H A 0028 ALA N 2.780 H A 0024 PHE O
H A 0028 ALA N 2.864 H A 0025 PHE O
H A 0028 ALA N 2.263 H A 0027 ARG O
H A 0029 VAL N 2.613 H A 0025 PHE O
H A 0029 VAL N 3.185 H A 0026 LYS O
H A 0029 VAL N 2.271 H A 0028 ALA O
H A 0030 GLU N 2.938 H A 0026 LYS O
H A 0030 GLU N 2.983 H A 0028 ALA O
H A 0030 GLU N 2.280 H A 0029 VAL O
C A 0031 GLY N 2.867 H A 0027 ARG O
C A 0031 GLY N 2.878 H A 0028 ALA O
C A 0031 GLY N 2.251 H A 0030 GLU O
C A 0032 GLN N 2.952 H A 0028 ALA O
C A 0032 GLN N 2.256 C A 0031 GLY O
C A 0033 HIS N 3.094 H A 0028 ALA O
C A 0033 HIS N 2.947 C A 0031 GLY O
C A 0033 HIS N 2.215 C A 0032 GLN O
C A 0034 ASN N 2.280 C A 0033 HIS O
C A 0035 TYR N 2.240 C A 0034 ASN O
C A 0036 LEU N 2.221 C A 0035 TYR O
C A 0037 CYS N 2.790 C A 0035 TYR O
C A 0037 CYS N 2.229 C A 0036 LEU O
C A 0038 ALA N 2.243 C A 0037 CYS O
C A 0039 GLY N 2.239 C A 0038 ALA O
C A 0040 ARG N 3.125 C A 0038 ALA O
C A 0040 ARG N 2.244 C A 0039 GLY O
C A 0041 ASN N 2.241 C A 0040 ARG O
C A 0042 ASP N 2.820 C A 0040 ARG O
C A 0042 ASP N 2.250 C A 0041 ASN O
C A 0043 CYS N 3.007 C A 0040 ARG O
C A 0043 CYS N 2.257 C A 0042 ASP O
C A 0044 ILE N 2.246 C A 0043 CYS O
C A 0045 ILE N 2.261 C A 0044 ILE O
C A 0046 ASP N 2.194 C A 0045 ILE O
C A 0047 LYS N 2.263 C A 0046 ASP O
C A 0048 ILE N 2.694 C A 0046 ASP O
C A 0048 ILE N 2.264 C A 0047 LYS O
C A 0049 ARG N 2.847 C A 0046 ASP O
C A 0049 ARG N 2.266 C A 0048 ILE O
C A 0050 ARG N 2.248 C A 0049 ARG O
C A 0051 LYS N 2.263 C A 0050 ARG O
C A 0052 ASN N 3.047 C A 0050 ARG O
C A 0052 ASN N 2.257 C A 0051 LYS O
C A 0053 CYS N 3.027 C A 0051 LYS O
C A 0053 CYS N 2.269 C A 0052 ASN O
H A 0054 PRO N 2.263 C A 0053 CYS O
H A 0055 ALA N 2.991 C A 0053 CYS O
H A 0055 ALA N 2.253 H A 0054 PRO O
H A 0056 CYS N 2.918 C A 0053 CYS O
H A 0056 CYS N 2.230 H A 0055 ALA O
H A 0057 ARG N 3.009 H A 0054 PRO O
H A 0057 ARG N 2.995 H A 0055 ALA O
H A 0057 ARG N 2.257 H A 0056 CYS O
H A 0058 TYR N 3.181 H A 0055 ALA O
H A 0058 TYR N 2.243 H A 0057 ARG O
H A 0059 ARG N 2.270 H A 0058 TYR O
H A 0060 LYS N 2.970 H A 0056 CYS O
H A 0060 LYS N 3.090 H A 0057 ARG O
H A 0060 LYS N 3.162 H A 0058 TYR O
H A 0060 LYS N 2.222 H A 0059 ARG O
H A 0061 CYS N 2.877 H A 0057 ARG O
H A 0061 CYS N 2.846 H A 0058 TYR O
H A 0061 CYS N 2.250 H A 0060 LYS O
H A 0062 LEU N 3.160 H A 0058 TYR O
H A 0062 LEU N 3.137 H A 0059 ARG O
H A 0062 LEU N 2.224 H A 0061 CYS O
H A 0063 GLN N 2.276 H A 0062 LEU O
H A 0064 ALA N 2.680 H A 0060 LYS O
H A 0064 ALA N 2.272 H A 0063 GLN O
C A 0065 GLY N 2.905 H A 0061 CYS O
C A 0065 GLY N 3.191 H A 0062 LEU O
C A 0065 GLY N 2.272 H A 0064 ALA O
C A 0066 MET N 2.694 H A 0061 CYS O
C A 0066 MET N 2.272 C A 0065 GLY O
C A 0067 ASN N 2.279 C A 0066 MET O
C A 0068 LEU N 2.306 C A 0067 ASN O
C A 0069 GLU N 2.251 C A 0068 LEU O
C A 0070 ALA N 2.950 C A 0068 LEU O
C A 0070 ALA N 2.275 C A 0069 GLU O
C A 0071 ARG N 3.140 C A 0069 GLU O
C A 0071 ARG N 2.254 C A 0070 ALA O
HB_MS 2.00 3.20 10
C A 0008 ALA N 3.190 C A 0007 GLU OE1
C A 0009 SER O 2.897 H A 0022 LYS NZ
C A 0010 GLY N 3.078 C A 0009 SER OG
C A 0010 GLY O 2.776 H A 0022 LYS NZ
H A 0021 CYS N 3.050 H A 0020 SER OG
H A 0023 VAL O 3.117 H A 0026 LYS NZ
C A 0035 TYR N 3.066 C A 0034 ASN OD1
C A 0043 CYS O 2.943 H A 0060 LYS NZ
C A 0044 ILE O 2.768 C A 0052 ASN ND2
C A 0047 LYS O 3.124 C A 0049 ARG NH1
HB_SS 2.00 3.20 3
C A 0033 HIS NE2 3.180 H A 0058 TYR OH
C A 0035 TYR OH 2.783 C A 0032 GLN OE1
C A 0042 ASP OD1 3.131 C A 0041 ASN ND2
AROMATIC 0.00 8.00 4
C A 0012 HIS 5.687 C A 0013 TYR
H A 0026 LYS 6.218 C A 0013 TYR
C A 0071 ARG 7.526 H A 0025 PHE
C A 0033 HIS 5.999 H A 0058 TYR