Complet list of 1l8c con file
Complete list of 1l8c.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 329
C A 0001 ALA C 2.497 H A 0002 ASP CA
C A 0001 ALA C 3.692 H A 0002 ASP C
C A 0001 ALA C 3.318 H A 0002 ASP CB
H A 0002 ASP CA 3.004 H A 0003 PRO CD
H A 0002 ASP C 2.471 H A 0003 PRO CA
H A 0002 ASP C 3.097 H A 0003 PRO C
H A 0002 ASP C 3.694 H A 0003 PRO CB
H A 0002 ASP C 3.682 H A 0003 PRO CG
H A 0002 ASP C 2.514 H A 0003 PRO CD
H A 0002 ASP CG 3.493 H A 0003 PRO CD
H A 0003 PRO C 2.459 H A 0004 GLU CA
H A 0003 PRO C 3.123 H A 0004 GLU C
H A 0003 PRO C 3.745 H A 0004 GLU CB
H A 0004 GLU C 2.469 H A 0005 LYS CA
H A 0004 GLU C 3.023 H A 0005 LYS C
H A 0004 GLU C 3.779 H A 0005 LYS CB
H A 0005 LYS C 2.483 H A 0006 ARG CA
H A 0005 LYS C 3.045 H A 0006 ARG C
H A 0005 LYS C 3.774 H A 0006 ARG CB
H A 0006 ARG C 2.509 H A 0007 LYS CA
H A 0006 ARG C 3.030 H A 0007 LYS C
H A 0006 ARG C 3.796 H A 0007 LYS CB
H A 0007 LYS C 2.483 H A 0008 LEU CA
H A 0007 LYS C 3.072 H A 0008 LEU C
H A 0007 LYS C 3.746 H A 0008 LEU CB
H A 0008 LEU C 2.497 H A 0009 ILE CA
H A 0008 LEU C 3.076 H A 0009 ILE C
H A 0008 LEU C 3.770 H A 0009 ILE CB
H A 0009 ILE C 2.493 H A 0010 GLN CA
H A 0009 ILE C 3.010 H A 0010 GLN C
H A 0009 ILE C 3.777 H A 0010 GLN CB
H A 0010 GLN C 2.447 H A 0011 GLN CA
H A 0010 GLN C 3.063 H A 0011 GLN C
H A 0010 GLN C 3.758 H A 0011 GLN CB
H A 0010 GLN CG 3.717 H A 0084 VAL CG2
H A 0011 GLN C 2.481 H A 0012 GLN CA
H A 0011 GLN C 3.008 H A 0012 GLN C
H A 0011 GLN C 3.789 H A 0012 GLN CB
H A 0012 GLN C 2.495 H A 0013 LEU CA
H A 0012 GLN C 3.024 H A 0013 LEU C
H A 0012 GLN C 3.738 H A 0013 LEU CB
H A 0012 GLN C 3.733 H A 0070 ILE CD1
H A 0013 LEU C 2.492 H A 0014 VAL CA
H A 0013 LEU C 3.072 H A 0014 VAL C
H A 0013 LEU C 3.757 H A 0014 VAL CB
H A 0013 LEU CA 3.697 H A 0070 ILE CD1
H A 0013 LEU CD2 3.488 H A 0088 LEU CD1
H A 0014 VAL C 2.488 H A 0015 LEU CA
H A 0014 VAL C 3.083 H A 0015 LEU C
H A 0014 VAL C 3.792 H A 0015 LEU CB
H A 0015 LEU C 2.471 H A 0016 LEU CA
H A 0015 LEU C 3.041 H A 0016 LEU C
H A 0015 LEU C 3.740 H A 0016 LEU CB
H A 0015 LEU CD2 3.574 C A 0037 LEU CD1
H A 0015 LEU CB 3.692 H A 0043 MET CG
H A 0016 LEU C 2.460 H A 0017 LEU CA
H A 0016 LEU C 3.035 H A 0017 LEU C
H A 0016 LEU C 3.744 H A 0017 LEU CB
H A 0016 LEU CD2 3.748 H A 0067 SER CB
H A 0016 LEU CD2 3.502 H A 0070 ILE CD1
H A 0016 LEU CD2 3.562 H A 0071 ILE CG1
H A 0016 LEU CD2 3.692 H A 0071 ILE CD1
H A 0017 LEU C 2.480 H A 0018 HIS CA
H A 0017 LEU C 2.987 H A 0018 HIS C
H A 0017 LEU CD1 3.739 H A 0071 ILE CD1
H A 0017 LEU CD2 3.487 H A 0088 LEU CD1
H A 0017 LEU CD2 3.498 H A 0088 LEU CD2
H A 0018 HIS C 2.484 H A 0019 ALA CA
H A 0018 HIS C 2.993 H A 0019 ALA C
H A 0018 HIS C 3.731 H A 0019 ALA CB
H A 0018 HIS CD2 3.669 H A 0022 CYS CB
H A 0018 HIS CG 3.731 C A 0037 LEU CD1
H A 0018 HIS CD2 3.545 H A 0040 CYS CB
H A 0019 ALA C 2.473 H A 0020 HIS CA
H A 0019 ALA C 3.192 H A 0020 HIS C
H A 0019 ALA C 3.711 H A 0020 HIS CB
H A 0019 ALA CB 3.664 H A 0043 MET CB
H A 0020 HIS C 2.512 H A 0021 LYS CA
H A 0020 HIS C 3.046 H A 0021 LYS C
H A 0020 HIS C 3.762 H A 0021 LYS CB
H A 0021 LYS C 2.526 H A 0022 CYS CA
H A 0021 LYS C 3.064 H A 0022 CYS C
H A 0021 LYS C 3.700 H A 0022 CYS CB
H A 0022 CYS C 2.498 H A 0023 GLN CA
H A 0022 CYS C 3.041 H A 0023 GLN C
H A 0022 CYS C 3.740 H A 0023 GLN CB
H A 0023 GLN C 2.517 H A 0024 ARG CA
H A 0023 GLN C 3.066 H A 0024 ARG C
H A 0023 GLN C 3.757 H A 0024 ARG CB
H A 0024 ARG C 2.508 H A 0025 ARG CA
H A 0024 ARG C 3.056 H A 0025 ARG C
H A 0024 ARG C 3.761 H A 0025 ARG CB
H A 0025 ARG C 2.485 H A 0026 GLU CA
H A 0025 ARG C 3.045 H A 0026 GLU C
H A 0025 ARG C 3.743 H A 0026 GLU CB
H A 0026 GLU C 2.480 H A 0027 GLN CA
H A 0026 GLU C 3.106 H A 0027 GLN C
H A 0026 GLU C 3.756 H A 0027 GLN CB
H A 0027 GLN C 2.488 H A 0028 ALA CA
H A 0027 GLN C 3.112 H A 0028 ALA C
H A 0027 GLN C 3.734 H A 0028 ALA CB
H A 0028 ALA C 2.493 H A 0029 ASN CA
H A 0028 ALA C 3.746 H A 0029 ASN C
H A 0028 ALA C 3.211 H A 0029 ASN CB
H A 0029 ASN C 2.474 C A 0030 GLY CA
H A 0029 ASN C 3.767 C A 0030 GLY C
C A 0030 GLY C 2.515 C A 0031 GLU CA
C A 0030 GLY C 3.631 C A 0031 GLU C
C A 0030 GLY C 3.347 C A 0031 GLU CB
C A 0031 GLU C 2.491 C A 0032 VAL CA
C A 0031 GLU C 3.130 C A 0032 VAL C
C A 0031 GLU C 3.751 C A 0032 VAL CB
C A 0032 VAL C 2.484 C A 0033 ARG CA
C A 0032 VAL C 3.015 C A 0033 ARG C
C A 0032 VAL C 3.774 C A 0033 ARG CB
C A 0033 ARG C 2.480 C A 0034 ALA CA
C A 0033 ARG C 3.095 C A 0034 ALA C
C A 0033 ARG C 3.719 C A 0034 ALA CB
C A 0033 ARG CZ 3.650 C A 0035 CYS CB
C A 0034 ALA C 2.504 C A 0035 CYS CA
C A 0034 ALA C 3.181 C A 0035 CYS C
C A 0034 ALA C 3.710 C A 0035 CYS CB
C A 0035 CYS C 2.506 C A 0036 SER CA
C A 0035 CYS C 3.665 C A 0036 SER C
C A 0035 CYS C 3.426 C A 0036 SER CB
C A 0036 SER C 2.498 C A 0037 LEU CA
C A 0036 SER C 3.203 C A 0037 LEU C
C A 0036 SER C 3.731 C A 0037 LEU CB
C A 0037 LEU CA 3.006 C A 0038 PRO CD
C A 0037 LEU C 2.472 C A 0038 PRO CA
C A 0037 LEU C 3.111 C A 0038 PRO C
C A 0037 LEU C 3.688 C A 0038 PRO CB
C A 0037 LEU C 3.693 C A 0038 PRO CG
C A 0037 LEU C 2.507 C A 0038 PRO CD
C A 0038 PRO C 2.533 H A 0039 HIS CA
C A 0038 PRO C 3.253 H A 0039 HIS C
C A 0038 PRO C 3.754 H A 0039 HIS CB
H A 0039 HIS C 2.491 H A 0040 CYS CA
H A 0039 HIS C 3.024 H A 0040 CYS C
H A 0039 HIS C 3.707 H A 0040 CYS CB
H A 0040 CYS C 2.504 H A 0041 ARG CA
H A 0040 CYS C 3.071 H A 0041 ARG C
H A 0040 CYS C 3.780 H A 0041 ARG CB
H A 0041 ARG C 2.475 H A 0042 THR CA
H A 0041 ARG C 3.015 H A 0042 THR C
H A 0041 ARG C 3.777 H A 0042 THR CB
H A 0042 THR C 2.467 H A 0043 MET CA
H A 0042 THR C 3.097 H A 0043 MET C
H A 0042 THR C 3.754 H A 0043 MET CB
H A 0043 MET C 2.500 H A 0044 LYS CA
H A 0043 MET C 3.088 H A 0044 LYS C
H A 0043 MET C 3.784 H A 0044 LYS CB
H A 0044 LYS C 2.476 H A 0045 ASN CA
H A 0044 LYS C 3.046 H A 0045 ASN C
H A 0044 LYS C 3.754 H A 0045 ASN CB
H A 0045 ASN C 2.496 H A 0046 VAL CA
H A 0045 ASN C 3.057 H A 0046 VAL C
H A 0045 ASN C 3.761 H A 0046 VAL CB
H A 0046 VAL C 2.520 H A 0047 LEU CA
H A 0046 VAL C 3.071 H A 0047 LEU C
H A 0046 VAL C 3.757 H A 0047 LEU CB
H A 0046 VAL CG1 3.719 H A 0063 HIS CB
H A 0046 VAL CG2 3.419 H A 0063 HIS CB
H A 0046 VAL CG2 3.696 H A 0063 HIS CG
H A 0047 LEU C 2.478 H A 0048 ASN CA
H A 0047 LEU C 3.042 H A 0048 ASN C
H A 0047 LEU C 3.731 H A 0048 ASN CB
H A 0047 LEU CD2 3.688 H A 0050 MET CE
H A 0048 ASN C 2.468 H A 0049 HIS CA
H A 0048 ASN C 3.055 H A 0049 HIS C
H A 0048 ASN C 3.733 H A 0049 HIS CB
H A 0049 HIS C 2.510 H A 0050 MET CA
H A 0049 HIS C 3.068 H A 0050 MET C
H A 0049 HIS C 3.768 H A 0050 MET CB
H A 0049 HIS CE1 3.533 H A 0053 CYS CB
H A 0049 HIS CD2 3.706 H A 0064 CYS CB
H A 0050 MET C 2.487 H A 0051 THR CA
H A 0050 MET C 3.128 H A 0051 THR C
H A 0050 MET C 3.787 H A 0051 THR CB
H A 0051 THR C 2.493 H A 0052 HIS CA
H A 0051 THR C 3.229 H A 0052 HIS C
H A 0051 THR C 3.724 H A 0052 HIS CB
H A 0052 HIS C 2.491 H A 0053 CYS CA
H A 0052 HIS C 3.120 H A 0053 CYS C
H A 0052 HIS C 3.704 H A 0053 CYS CB
H A 0053 CYS C 2.507 C A 0054 GLN CA
H A 0053 CYS C 3.652 C A 0054 GLN C
H A 0053 CYS C 3.446 C A 0054 GLN CB
H A 0053 CYS C 3.526 C A 0054 GLN CG
C A 0054 GLN C 2.484 H A 0055 ALA CA
C A 0054 GLN C 3.186 H A 0055 ALA C
C A 0054 GLN C 3.694 H A 0055 ALA CB
H A 0055 ALA C 2.504 H A 0056 GLY CA
H A 0055 ALA C 3.113 H A 0056 GLY C
H A 0056 GLY C 2.505 H A 0057 LYS CA
H A 0056 GLY C 3.060 H A 0057 LYS C
H A 0056 GLY C 3.773 H A 0057 LYS CB
H A 0056 GLY CA 3.748 H A 0068 ARG CD
H A 0057 LYS C 2.491 H A 0058 ALA CA
H A 0057 LYS C 3.302 H A 0058 ALA C
H A 0057 LYS C 3.686 H A 0058 ALA CB
H A 0058 ALA C 2.469 H A 0059 CYS CA
H A 0058 ALA C 3.095 H A 0059 CYS C
H A 0058 ALA C 3.738 H A 0059 CYS CB
H A 0059 CYS C 2.486 C A 0060 GLN CA
H A 0059 CYS C 3.185 C A 0060 GLN C
H A 0059 CYS C 3.738 C A 0060 GLN CB
C A 0060 GLN C 2.495 H A 0061 VAL CA
C A 0060 GLN C 3.113 H A 0061 VAL C
C A 0060 GLN C 3.771 H A 0061 VAL CB
H A 0061 VAL C 2.504 H A 0062 ALA CA
H A 0061 VAL C 3.029 H A 0062 ALA C
H A 0061 VAL C 3.722 H A 0062 ALA CB
H A 0062 ALA C 2.495 H A 0063 HIS CA
H A 0062 ALA C 3.093 H A 0063 HIS C
H A 0062 ALA C 3.745 H A 0063 HIS CB
H A 0063 HIS C 2.494 H A 0064 CYS CA
H A 0063 HIS C 3.050 H A 0064 CYS C
H A 0063 HIS C 3.736 H A 0064 CYS CB
H A 0064 CYS C 2.477 H A 0065 ALA CA
H A 0064 CYS C 3.044 H A 0065 ALA C
H A 0064 CYS C 3.712 H A 0065 ALA CB
H A 0065 ALA C 2.501 H A 0066 SER CA
H A 0065 ALA C 3.217 H A 0066 SER C
H A 0065 ALA C 3.754 H A 0066 SER CB
H A 0066 SER C 2.519 H A 0067 SER CA
H A 0066 SER C 3.120 H A 0067 SER C
H A 0066 SER C 3.775 H A 0067 SER CB
H A 0067 SER C 2.463 H A 0068 ARG CA
H A 0067 SER C 3.004 H A 0068 ARG C
H A 0067 SER C 3.736 H A 0068 ARG CB
H A 0067 SER CA 3.502 H A 0070 ILE CG1
H A 0067 SER C 3.706 H A 0070 ILE CG1
H A 0068 ARG C 2.499 H A 0069 GLN CA
H A 0068 ARG C 3.099 H A 0069 GLN C
H A 0068 ARG C 3.751 H A 0069 GLN CB
H A 0069 GLN C 2.480 H A 0070 ILE CA
H A 0069 GLN C 3.050 H A 0070 ILE C
H A 0070 ILE C 2.464 H A 0071 ILE CA
H A 0070 ILE C 3.088 H A 0071 ILE C
H A 0070 ILE C 3.750 H A 0071 ILE CB
H A 0071 ILE C 2.481 H A 0072 SER CA
H A 0071 ILE C 3.009 H A 0072 SER C
H A 0071 ILE C 3.777 H A 0072 SER CB
H A 0072 SER C 2.470 H A 0073 HIS CA
H A 0072 SER C 3.004 H A 0073 HIS C
H A 0072 SER C 3.764 H A 0073 HIS CB
H A 0073 HIS C 2.473 H A 0074 TRP CA
H A 0073 HIS C 3.044 H A 0074 TRP C
H A 0073 HIS C 3.757 H A 0074 TRP CB
H A 0073 HIS CD2 3.661 H A 0077 CYS CB
H A 0074 TRP C 2.500 H A 0075 LYS CA
H A 0074 TRP C 3.105 H A 0075 LYS C
H A 0074 TRP C 3.742 H A 0075 LYS CB
H A 0074 TRP CD1 3.624 H A 0085 CYS CA
H A 0074 TRP CE2 3.698 H A 0088 LEU CB
H A 0074 TRP CZ2 3.592 H A 0088 LEU CB
H A 0075 LYS C 2.477 H A 0076 ASN CA
H A 0075 LYS C 3.229 H A 0076 ASN C
H A 0075 LYS C 3.715 H A 0076 ASN CB
H A 0076 ASN C 2.492 H A 0077 CYS CA
H A 0076 ASN C 3.086 H A 0077 CYS C
H A 0076 ASN C 3.735 H A 0077 CYS CB
H A 0077 CYS C 2.518 C A 0078 THR CA
H A 0077 CYS C 3.652 C A 0078 THR C
H A 0077 CYS C 3.383 C A 0078 THR CB
C A 0078 THR C 2.534 C A 0079 ARG CA
C A 0078 THR C 3.179 C A 0079 ARG C
C A 0078 THR C 3.723 C A 0079 ARG CB
C A 0079 ARG C 2.508 C A 0080 HIS CA
C A 0079 ARG C 3.016 C A 0080 HIS C
C A 0079 ARG C 3.758 C A 0080 HIS CB
C A 0080 HIS C 2.487 C A 0081 ASP CA
C A 0080 HIS C 3.700 C A 0081 ASP C
C A 0080 HIS C 3.299 C A 0081 ASP CB
C A 0081 ASP C 2.515 C A 0082 CYS CA
C A 0081 ASP C 3.537 C A 0082 CYS C
C A 0081 ASP C 3.475 C A 0082 CYS CB
C A 0082 CYS CA 3.002 C A 0083 PRO CD
C A 0082 CYS C 2.488 C A 0083 PRO CA
C A 0082 CYS C 3.195 C A 0083 PRO C
C A 0082 CYS C 3.691 C A 0083 PRO CB
C A 0082 CYS C 3.654 C A 0083 PRO CG
C A 0082 CYS C 2.495 C A 0083 PRO CD
C A 0082 CYS CB 3.700 H A 0085 CYS CB
C A 0083 PRO C 2.479 H A 0084 VAL CA
C A 0083 PRO C 3.619 H A 0084 VAL C
C A 0083 PRO C 3.443 H A 0084 VAL CB
C A 0083 PRO C 3.338 H A 0084 VAL CG2
H A 0084 VAL C 2.492 H A 0085 CYS CA
H A 0084 VAL C 3.065 H A 0085 CYS C
H A 0084 VAL C 3.716 H A 0085 CYS CB
H A 0084 VAL C 3.632 H A 0087 PRO CD
H A 0085 CYS C 2.489 H A 0086 LEU CA
H A 0085 CYS C 3.074 H A 0086 LEU C
H A 0085 CYS C 3.756 H A 0086 LEU CB
H A 0086 LEU CA 3.084 H A 0087 PRO CD
H A 0086 LEU C 2.474 H A 0087 PRO CA
H A 0086 LEU C 3.072 H A 0087 PRO C
H A 0086 LEU C 3.711 H A 0087 PRO CB
H A 0086 LEU C 3.710 H A 0087 PRO CG
H A 0086 LEU C 2.530 H A 0087 PRO CD
H A 0086 LEU CB 3.348 H A 0087 PRO CD
H A 0087 PRO C 2.476 H A 0088 LEU CA
H A 0087 PRO C 3.112 H A 0088 LEU C
H A 0087 PRO C 3.730 H A 0088 LEU CB
H A 0088 LEU C 2.505 H A 0089 LYS CA
H A 0088 LEU C 3.104 H A 0089 LYS C
H A 0088 LEU C 3.757 H A 0089 LYS CB
H A 0089 LYS C 2.489 H A 0090 ASN CA
H A 0089 LYS C 3.518 H A 0090 ASN C
H A 0089 LYS C 3.515 H A 0090 ASN CB
H A 0090 ASN C 2.465 C A 0091 ALA CA
H A 0090 ASN C 3.065 C A 0091 ALA C
H A 0090 ASN C 3.712 C A 0091 ALA CB
C A 0091 ALA C 2.489 C A 0092 SER CA
C A 0091 ALA C 3.055 C A 0092 SER C
C A 0091 ALA C 3.768 C A 0092 SER CB
C A 0092 SER C 2.487 C A 0093 ASP CA
C A 0092 SER C 3.211 C A 0093 ASP C
C A 0092 SER C 3.712 C A 0093 ASP CB
C A 0093 ASP C 2.510 C A 0094 LYS CA
C A 0093 ASP C 3.668 C A 0094 LYS C
C A 0093 ASP C 3.422 C A 0094 LYS CB
C A 0093 ASP C 3.413 C A 0094 LYS CG
C A 0094 LYS C 2.522 C A 0095 ARG CA
C A 0094 LYS C 3.671 C A 0095 ARG C
C A 0094 LYS C 3.432 C A 0095 ARG CB
C A 0094 LYS C 3.493 C A 0095 ARG CG
CHARGE_ATTR 2.00 12.00 49
H A 0002 ASP OD1 6.851 H A 0005 LYS NZ
H A 0002 ASP OD2 7.290 H A 0005 LYS NZ
H A 0002 ASP OD1 8.809 H A 0006 ARG NH1
H A 0002 ASP OD1 9.738 H A 0006 ARG NH2
H A 0002 ASP OD2 9.356 H A 0006 ARG NH1
H A 0002 ASP OD2 10.21 H A 0006 ARG NH2
H A 0002 ASP OD1 8.455 H A 0007 LYS NZ
H A 0002 ASP OD2 10.11 H A 0007 LYS NZ
H A 0004 GLU OE1 9.074 H A 0005 LYS NZ
H A 0004 GLU OE2 10.82 H A 0005 LYS NZ
H A 0004 GLU OE1 9.089 H A 0007 LYS NZ
H A 0004 GLU OE2 7.974 H A 0007 LYS NZ
H A 0026 GLU OE1 10.25 H A 0018 HIS ND1
H A 0026 GLU OE1 8.647 H A 0018 HIS NE2
H A 0026 GLU OE2 10.80 H A 0018 HIS NE2
H A 0026 GLU OE1 7.722 H A 0025 ARG NH1
H A 0026 GLU OE1 7.905 H A 0025 ARG NH2
H A 0026 GLU OE2 8.814 H A 0025 ARG NH1
H A 0026 GLU OE2 8.484 H A 0025 ARG NH2
H A 0026 GLU OE1 4.541 C A 0033 ARG NH1
H A 0026 GLU OE1 2.857 C A 0033 ARG NH2
H A 0026 GLU OE2 6.331 C A 0033 ARG NH1
H A 0026 GLU OE2 4.925 C A 0033 ARG NH2
H A 0026 GLU OE1 8.218 H A 0041 ARG NH1
H A 0026 GLU OE1 9.753 H A 0041 ARG NH2
H A 0026 GLU OE2 10.17 H A 0041 ARG NH1
H A 0026 GLU OE2 11.79 H A 0041 ARG NH2
H A 0026 GLU OE1 7.703 H A 0044 LYS NZ
H A 0026 GLU OE2 9.537 H A 0044 LYS NZ
C A 0031 GLU OE1 10.57 H A 0025 ARG NH2
C A 0031 GLU OE2 11.70 H A 0025 ARG NH2
C A 0081 ASP OD1 11.85 H A 0073 HIS NE2
C A 0081 ASP OD2 11.42 H A 0073 HIS NE2
C A 0081 ASP OD1 9.174 C A 0079 ARG NH1
C A 0081 ASP OD1 9.603 C A 0079 ARG NH2
C A 0081 ASP OD2 9.435 C A 0079 ARG NH1
C A 0081 ASP OD2 9.523 C A 0079 ARG NH2
C A 0081 ASP OD1 2.765 C A 0080 HIS ND1
C A 0081 ASP OD1 4.868 C A 0080 HIS NE2
C A 0081 ASP OD2 4.828 C A 0080 HIS ND1
C A 0081 ASP OD2 6.766 C A 0080 HIS NE2
C A 0093 ASP OD2 10.12 H A 0021 LYS NZ
C A 0093 ASP OD2 11.43 H A 0025 ARG NH1
C A 0093 ASP OD1 10.22 C A 0094 LYS NZ
C A 0093 ASP OD2 10.35 C A 0094 LYS NZ
C A 0093 ASP OD1 8.506 C A 0095 ARG NH1
C A 0093 ASP OD1 9.123 C A 0095 ARG NH2
C A 0093 ASP OD2 7.785 C A 0095 ARG NH1
C A 0093 ASP OD2 8.844 C A 0095 ARG NH2
CHARGE_REPU 2.00 12.00 106
H A 0002 ASP OD1 4.465 H A 0004 GLU OE1
H A 0002 ASP OD1 5.893 H A 0004 GLU OE2
H A 0002 ASP OD2 5.356 H A 0004 GLU OE1
H A 0002 ASP OD2 7.076 H A 0004 GLU OE2
H A 0006 ARG NH1 8.828 H A 0007 LYS NZ
H A 0006 ARG NH2 10.65 H A 0007 LYS NZ
H A 0006 ARG NH1 10.43 H A 0073 HIS ND1
H A 0006 ARG NH1 10.60 H A 0073 HIS NE2
H A 0006 ARG NH2 8.941 H A 0073 HIS ND1
H A 0006 ARG NH2 9.436 H A 0073 HIS NE2
H A 0006 ARG NH1 10.05 C A 0079 ARG NH1
H A 0006 ARG NH1 9.925 C A 0079 ARG NH2
H A 0006 ARG NH2 8.972 C A 0079 ARG NH1
H A 0006 ARG NH2 8.861 C A 0079 ARG NH2
H A 0018 HIS ND1 10.80 H A 0020 HIS ND1
H A 0018 HIS NE2 10.79 H A 0020 HIS ND1
H A 0018 HIS NE2 11.96 H A 0020 HIS NE2
H A 0018 HIS ND1 6.047 H A 0021 LYS NZ
H A 0018 HIS NE2 7.888 H A 0021 LYS NZ
H A 0018 HIS ND1 7.908 H A 0025 ARG NH1
H A 0018 HIS ND1 10.08 H A 0025 ARG NH2
H A 0018 HIS NE2 8.095 H A 0025 ARG NH1
H A 0018 HIS NE2 10.09 H A 0025 ARG NH2
H A 0018 HIS ND1 9.189 C A 0033 ARG NH1
H A 0018 HIS ND1 8.470 C A 0033 ARG NH2
H A 0018 HIS NE2 7.098 C A 0033 ARG NH1
H A 0018 HIS NE2 6.537 C A 0033 ARG NH2
H A 0018 HIS ND1 11.46 H A 0039 HIS ND1
H A 0018 HIS ND1 11.52 H A 0039 HIS NE2
H A 0018 HIS NE2 10.98 H A 0039 HIS ND1
H A 0018 HIS NE2 11.36 H A 0039 HIS NE2
H A 0018 HIS ND1 8.108 H A 0041 ARG NH1
H A 0018 HIS ND1 7.746 H A 0041 ARG NH2
H A 0018 HIS NE2 5.984 H A 0041 ARG NH1
H A 0018 HIS NE2 5.929 H A 0041 ARG NH2
H A 0018 HIS ND1 6.946 H A 0044 LYS NZ
H A 0018 HIS NE2 5.117 H A 0044 LYS NZ
H A 0020 HIS ND1 9.554 H A 0021 LYS NZ
H A 0020 HIS NE2 11.62 H A 0021 LYS NZ
H A 0020 HIS ND1 7.623 H A 0024 ARG NH1
H A 0020 HIS ND1 7.321 H A 0024 ARG NH2
H A 0020 HIS NE2 8.020 H A 0024 ARG NH1
H A 0020 HIS NE2 7.517 H A 0024 ARG NH2
H A 0020 HIS ND1 8.967 H A 0044 LYS NZ
H A 0020 HIS NE2 9.234 H A 0044 LYS NZ
H A 0020 HIS ND1 11.66 H A 0075 LYS NZ
H A 0021 LYS NZ 11.08 H A 0024 ARG NH1
H A 0021 LYS NZ 8.584 H A 0025 ARG NH1
H A 0021 LYS NZ 10.59 H A 0025 ARG NH2
H A 0021 LYS NZ 11.06 H A 0044 LYS NZ
H A 0024 ARG NH1 11.66 H A 0025 ARG NH1
H A 0025 ARG NH1 9.972 C A 0033 ARG NH1
H A 0025 ARG NH1 8.388 C A 0033 ARG NH2
H A 0025 ARG NH2 10.80 C A 0033 ARG NH1
H A 0025 ARG NH2 9.222 C A 0033 ARG NH2
H A 0025 ARG NH1 11.96 H A 0041 ARG NH1
H A 0025 ARG NH1 10.84 H A 0044 LYS NZ
H A 0025 ARG NH1 10.87 C A 0095 ARG NH1
H A 0025 ARG NH2 10.06 C A 0095 ARG NH1
H A 0025 ARG NH2 11.30 C A 0095 ARG NH2
H A 0026 GLU OE1 11.16 C A 0031 GLU OE1
H A 0026 GLU OE1 11.46 C A 0031 GLU OE2
H A 0026 GLU OE2 9.883 C A 0031 GLU OE1
H A 0026 GLU OE2 9.848 C A 0031 GLU OE2
C A 0033 ARG NH1 4.031 H A 0041 ARG NH1
C A 0033 ARG NH1 5.623 H A 0041 ARG NH2
C A 0033 ARG NH2 5.406 H A 0041 ARG NH1
C A 0033 ARG NH2 7.012 H A 0041 ARG NH2
C A 0033 ARG NH1 6.079 H A 0044 LYS NZ
C A 0033 ARG NH2 5.412 H A 0044 LYS NZ
H A 0039 HIS ND1 9.966 H A 0041 ARG NH1
H A 0039 HIS ND1 8.248 H A 0041 ARG NH2
H A 0039 HIS NE2 11.08 H A 0041 ARG NH1
H A 0039 HIS NE2 9.142 H A 0041 ARG NH2
H A 0039 HIS ND1 10.60 H A 0063 HIS ND1
H A 0039 HIS ND1 8.865 H A 0063 HIS NE2
H A 0039 HIS NE2 10.40 H A 0063 HIS NE2
H A 0041 ARG NH1 5.150 H A 0044 LYS NZ
H A 0041 ARG NH2 6.629 H A 0044 LYS NZ
H A 0049 HIS ND1 6.956 H A 0052 HIS ND1
H A 0049 HIS ND1 8.880 H A 0052 HIS NE2
H A 0049 HIS NE2 8.229 H A 0052 HIS ND1
H A 0049 HIS NE2 10.17 H A 0052 HIS NE2
H A 0049 HIS ND1 8.875 H A 0063 HIS ND1
H A 0049 HIS ND1 10.98 H A 0063 HIS NE2
H A 0049 HIS NE2 8.597 H A 0063 HIS ND1
H A 0049 HIS NE2 10.67 H A 0063 HIS NE2
H A 0049 HIS ND1 8.401 H A 0068 ARG NH1
H A 0049 HIS ND1 6.349 H A 0068 ARG NH2
H A 0049 HIS NE2 6.895 H A 0068 ARG NH1
H A 0049 HIS NE2 4.745 H A 0068 ARG NH2
H A 0052 HIS ND1 9.645 H A 0068 ARG NH1
H A 0052 HIS ND1 8.740 H A 0068 ARG NH2
H A 0052 HIS NE2 11.15 H A 0068 ARG NH1
H A 0052 HIS NE2 10.42 H A 0068 ARG NH2
H A 0063 HIS ND1 11.56 H A 0068 ARG NH2
H A 0073 HIS ND1 6.452 C A 0079 ARG NH1
H A 0073 HIS ND1 4.667 C A 0079 ARG NH2
H A 0073 HIS NE2 5.368 C A 0079 ARG NH1
H A 0073 HIS NE2 3.226 C A 0079 ARG NH2
H A 0075 LYS NZ 11.39 H A 0089 LYS NZ
C A 0079 ARG NH1 10.41 C A 0080 HIS ND1
C A 0079 ARG NH2 11.00 C A 0080 HIS ND1
C A 0080 HIS ND1 11.38 H A 0089 LYS NZ
C A 0080 HIS NE2 10.97 H A 0089 LYS NZ
H A 0089 LYS NZ 9.239 C A 0094 LYS NZ
HB_MM 2.00 3.20 153
H A 0002 ASP N 2.246 C A 0001 ALA O
H A 0003 PRO N 2.248 H A 0002 ASP O
H A 0004 GLU N 2.230 H A 0003 PRO O
H A 0005 LYS N 2.242 H A 0004 GLU O
H A 0006 ARG N 3.102 H A 0002 ASP O
H A 0006 ARG N 3.200 H A 0003 PRO O
H A 0006 ARG N 2.244 H A 0005 LYS O
H A 0007 LYS N 2.971 H A 0003 PRO O
H A 0007 LYS N 2.249 H A 0006 ARG O
H A 0008 LEU N 2.985 H A 0004 GLU O
H A 0008 LEU N 2.248 H A 0007 LYS O
H A 0009 ILE N 2.888 H A 0005 LYS O
H A 0009 ILE N 3.171 H A 0006 ARG O
H A 0009 ILE N 2.245 H A 0008 LEU O
H A 0010 GLN N 2.852 H A 0006 ARG O
H A 0010 GLN N 2.249 H A 0009 ILE O
H A 0011 GLN N 2.255 H A 0010 GLN O
H A 0012 GLN N 3.044 H A 0008 LEU O
H A 0012 GLN N 3.199 H A 0009 ILE O
H A 0012 GLN N 2.242 H A 0011 GLN O
H A 0013 LEU N 2.959 H A 0009 ILE O
H A 0013 LEU N 2.253 H A 0012 GLN O
H A 0014 VAL N 3.136 H A 0010 GLN O
H A 0014 VAL N 2.245 H A 0013 LEU O
H A 0015 LEU N 2.809 H A 0011 GLN O
H A 0015 LEU N 2.245 H A 0014 VAL O
H A 0016 LEU N 2.906 H A 0012 GLN O
H A 0016 LEU N 2.246 H A 0015 LEU O
H A 0017 LEU N 3.074 H A 0013 LEU O
H A 0017 LEU N 2.250 H A 0016 LEU O
H A 0018 HIS N 2.909 H A 0014 VAL O
H A 0018 HIS N 3.172 H A 0015 LEU O
H A 0018 HIS N 2.257 H A 0017 LEU O
H A 0019 ALA N 2.982 H A 0015 LEU O
H A 0019 ALA N 2.246 H A 0018 HIS O
H A 0020 HIS N 3.191 H A 0018 HIS O
H A 0020 HIS N 2.256 H A 0019 ALA O
H A 0021 LYS N 2.937 H A 0017 LEU O
H A 0021 LYS N 3.034 H A 0018 HIS O
H A 0021 LYS N 2.242 H A 0020 HIS O
H A 0022 CYS N 2.804 H A 0018 HIS O
H A 0022 CYS N 2.256 H A 0021 LYS O
H A 0023 GLN N 2.255 H A 0022 CYS O
H A 0024 ARG N 2.830 H A 0020 HIS O
H A 0024 ARG N 2.255 H A 0023 GLN O
H A 0025 ARG N 2.890 H A 0021 LYS O
H A 0025 ARG N 2.260 H A 0024 ARG O
H A 0026 GLU N 2.933 H A 0022 CYS O
H A 0026 GLU N 2.250 H A 0025 ARG O
H A 0027 GLN N 3.043 H A 0023 GLN O
H A 0027 GLN N 2.253 H A 0026 GLU O
H A 0028 ALA N 2.933 H A 0024 ARG O
H A 0028 ALA N 2.252 H A 0027 GLN O
H A 0029 ASN N 2.930 H A 0025 ARG O
H A 0029 ASN N 2.250 H A 0028 ALA O
C A 0030 GLY N 2.250 H A 0029 ASN O
C A 0031 GLU N 2.252 C A 0030 GLY O
C A 0032 VAL N 2.255 C A 0031 GLU O
C A 0033 ARG N 2.256 C A 0032 VAL O
C A 0034 ALA N 2.257 C A 0033 ARG O
C A 0035 CYS N 2.263 C A 0034 ALA O
C A 0036 SER N 2.261 C A 0035 CYS O
C A 0037 LEU N 2.254 C A 0036 SER O
C A 0038 PRO N 2.238 C A 0037 LEU O
H A 0039 HIS N 2.259 C A 0038 PRO O
H A 0040 CYS N 3.142 C A 0038 PRO O
H A 0040 CYS N 2.247 H A 0039 HIS O
H A 0041 ARG N 2.249 H A 0040 CYS O
H A 0042 THR N 3.029 H A 0039 HIS O
H A 0042 THR N 2.246 H A 0041 ARG O
H A 0043 MET N 3.155 H A 0039 HIS O
H A 0043 MET N 3.032 H A 0040 CYS O
H A 0043 MET N 2.244 H A 0042 THR O
H A 0044 LYS N 2.794 H A 0040 CYS O
H A 0044 LYS N 2.232 H A 0043 MET O
H A 0045 ASN N 3.042 H A 0041 ARG O
H A 0045 ASN N 2.246 H A 0044 LYS O
H A 0046 VAL N 3.088 H A 0042 THR O
H A 0046 VAL N 2.250 H A 0045 ASN O
H A 0047 LEU N 2.775 H A 0043 MET O
H A 0047 LEU N 2.246 H A 0046 VAL O
H A 0048 ASN N 3.008 H A 0044 LYS O
H A 0048 ASN N 2.249 H A 0047 LEU O
H A 0049 HIS N 3.074 H A 0045 ASN O
H A 0049 HIS N 3.149 H A 0046 VAL O
H A 0049 HIS N 2.248 H A 0048 ASN O
H A 0050 MET N 2.893 H A 0046 VAL O
H A 0050 MET N 2.251 H A 0049 HIS O
H A 0051 THR N 2.245 H A 0050 MET O
H A 0052 HIS N 3.076 H A 0049 HIS O
H A 0052 HIS N 2.253 H A 0051 THR O
H A 0053 CYS N 2.865 H A 0049 HIS O
H A 0053 CYS N 2.252 H A 0052 HIS O
C A 0054 GLN N 2.249 H A 0053 CYS O
H A 0055 ALA N 2.242 C A 0054 GLN O
H A 0056 GLY N 2.252 H A 0055 ALA O
H A 0057 LYS N 2.961 H A 0055 ALA O
H A 0057 LYS N 2.257 H A 0056 GLY O
H A 0058 ALA N 3.159 H A 0055 ALA O
H A 0058 ALA N 2.257 H A 0057 LYS O
H A 0059 CYS N 2.250 H A 0058 ALA O
C A 0060 GLN N 2.249 H A 0059 CYS O
H A 0061 VAL N 2.250 C A 0060 GLN O
H A 0062 ALA N 2.256 H A 0061 VAL O
H A 0063 HIS N 2.258 H A 0062 ALA O
H A 0064 CYS N 2.250 H A 0063 HIS O
H A 0065 ALA N 2.250 H A 0064 CYS O
H A 0066 SER N 3.014 H A 0062 ALA O
H A 0066 SER N 2.251 H A 0065 ALA O
H A 0067 SER N 2.827 H A 0063 HIS O
H A 0067 SER N 2.242 H A 0066 SER O
H A 0068 ARG N 2.236 H A 0067 SER O
H A 0069 GLN N 3.033 H A 0066 SER O
H A 0069 GLN N 2.248 H A 0068 ARG O
H A 0070 ILE N 3.050 H A 0066 SER O
H A 0070 ILE N 2.248 H A 0069 GLN O
H A 0071 ILE N 2.249 H A 0070 ILE O
H A 0072 SER N 2.928 H A 0068 ARG O
H A 0072 SER N 3.173 H A 0069 GLN O
H A 0072 SER N 2.250 H A 0071 ILE O
H A 0073 HIS N 2.899 H A 0069 GLN O
H A 0073 HIS N 2.261 H A 0072 SER O
H A 0074 TRP N 3.028 H A 0070 ILE O
H A 0074 TRP N 2.252 H A 0073 HIS O
H A 0075 LYS N 2.938 H A 0071 ILE O
H A 0075 LYS N 2.251 H A 0074 TRP O
H A 0076 ASN N 3.133 H A 0072 SER O
H A 0076 ASN N 3.171 H A 0073 HIS O
H A 0076 ASN N 2.247 H A 0075 LYS O
H A 0077 CYS N 2.815 H A 0073 HIS O
H A 0077 CYS N 2.251 H A 0076 ASN O
C A 0078 THR N 2.256 H A 0077 CYS O
C A 0079 ARG N 2.248 C A 0078 THR O
C A 0080 HIS N 2.262 C A 0079 ARG O
C A 0081 ASP N 2.254 C A 0080 HIS O
C A 0082 CYS N 2.257 C A 0081 ASP O
C A 0083 PRO N 2.244 C A 0082 CYS O
H A 0084 VAL N 2.957 C A 0082 CYS O
H A 0084 VAL N 2.244 C A 0083 PRO O
H A 0085 CYS N 2.243 H A 0084 VAL O
H A 0086 LEU N 2.256 H A 0085 CYS O
H A 0087 PRO N 2.254 H A 0086 LEU O
H A 0088 LEU N 3.131 H A 0084 VAL O
H A 0088 LEU N 2.237 H A 0087 PRO O
H A 0089 LYS N 2.859 H A 0085 CYS O
H A 0089 LYS N 2.254 H A 0088 LEU O
H A 0090 ASN N 2.897 H A 0086 LEU O
H A 0090 ASN N 2.255 H A 0089 LYS O
C A 0091 ALA N 2.254 H A 0090 ASN O
C A 0092 SER N 2.250 C A 0091 ALA O
C A 0093 ASP N 2.251 C A 0092 SER O
C A 0094 LYS N 2.257 C A 0093 ASP O
C A 0095 ARG N 2.263 C A 0094 LYS O
HB_MS 2.00 3.20 19
H A 0004 GLU N 2.892 H A 0002 ASP OD1
H A 0008 LEU O 2.896 H A 0011 GLN NE2
H A 0019 ALA O 2.834 H A 0044 LYS NZ
C A 0034 ALA N 2.873 H A 0026 GLU OE1
C A 0037 LEU O 2.881 H A 0041 ARG NH2
C A 0038 PRO O 3.092 H A 0041 ARG NH2
H A 0041 ARG O 2.866 H A 0045 ASN ND2
H A 0048 ASN O 2.967 H A 0051 THR OG1
H A 0048 ASN O 2.793 H A 0052 HIS ND1
H A 0050 MET O 3.061 H A 0068 ARG NH1
H A 0050 MET O 3.059 H A 0068 ARG NH2
H A 0053 CYS O 2.871 C A 0054 GLN NE2
H A 0053 CYS O 2.925 H A 0068 ARG NH2
H A 0062 ALA O 2.815 H A 0066 SER OG
H A 0063 HIS O 2.730 H A 0067 SER OG
H A 0064 CYS O 3.071 H A 0067 SER OG
H A 0068 ARG N 3.149 H A 0067 SER OG
H A 0068 ARG O 2.658 H A 0072 SER OG
H A 0072 SER O 2.845 H A 0076 ASN ND2
HB_SS 2.00 3.20 2
H A 0011 GLN NE2 2.880 H A 0012 GLN OE1
C A 0094 LYS NZ 2.912 H A 0090 ASN OD1
AROMATIC 0.00 8.00 3
H A 0024 ARG 7.922 H A 0020 HIS
C A 0079 ARG 4.294 H A 0073 HIS
H A 0021 LYS 6.905 H A 0018 HIS
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 45
H A 0009 ILE CG1 3.754 C B 0118 LEU CD1
H A 0009 ILE CD1 3.524 H B 0126 ASN CB
H A 0011 GLN CB 3.682 H B 0106 LEU CD2
H A 0011 GLN CB 3.799 H B 0109 SER CB
H A 0011 GLN CG 3.545 H B 0109 SER CB
H A 0014 VAL CG1 3.704 C B 0102 ALA C
H A 0015 LEU CD1 3.559 C B 0115 LEU CD2
H A 0017 LEU CG 3.749 C B 0148 VAL CG2
H A 0017 LEU CD2 3.617 C B 0148 VAL CG2
H A 0020 HIS CB 3.780 H B 0145 LEU CB
H A 0020 HIS CB 3.562 H B 0145 LEU CD1
H A 0020 HIS CG 3.648 H B 0145 LEU CB
H A 0020 HIS CE1 3.790 H B 0146 ASP CA
H A 0021 LYS CE 3.504 C B 0148 VAL CG1
H A 0024 ARG CZ 3.757 C B 0149 ASN CB
H A 0024 ARG CZ 3.542 C B 0149 ASN CG
C A 0037 LEU CD1 3.520 H B 0106 LEU CD1
C A 0037 LEU CD2 3.662 H B 0106 LEU CD1
H A 0039 HIS CD2 3.517 H B 0110 MET CE
H A 0042 THR CG2 3.705 C B 0115 LEU CD1
H A 0047 LEU CD2 3.644 H B 0142 LEU CD2
H A 0047 LEU CD2 3.324 H B 0145 LEU CD1
H A 0050 MET CB 3.636 H B 0141 LEU CD1
H A 0051 THR CG2 3.757 H B 0142 LEU CG
H A 0051 THR CG2 3.681 H B 0142 LEU CD2
H A 0056 GLY CA 3.746 C B 0135 LEU CD1
H A 0056 GLY C 3.770 C B 0135 LEU CD1
H A 0057 LYS CG 3.765 C B 0135 LEU CD1
H A 0057 LYS CD 3.773 C B 0135 LEU CD1
H A 0069 GLN CB 3.772 H B 0123 CYS CB
H A 0069 GLN CG 3.614 H B 0123 CYS CB
H A 0069 GLN CD 3.659 H B 0123 CYS C
H A 0069 GLN CG 3.727 H B 0124 GLU CG
H A 0071 ILE CG2 3.679 H B 0144 ALA CB
H A 0071 ILE CD1 3.420 H B 0145 LEU CD2
H A 0072 SER CB 3.781 C B 0129 ILE CG1
H A 0072 SER CB 3.474 C B 0129 ILE CD1
H A 0074 TRP CH2 3.480 H B 0147 GLN CG
H A 0074 TRP CZ3 3.681 C B 0148 VAL CG2
H A 0074 TRP CH2 3.449 C B 0148 VAL CG2
H A 0075 LYS CE 3.762 H B 0144 ALA CB
H A 0076 ASN CB 3.686 C B 0129 ILE CG2
H A 0076 ASN CG 3.634 C B 0129 ILE CG2
H A 0077 CYS CA 3.758 C B 0130 GLN CB
H A 0088 LEU CD2 3.581 C B 0102 ALA CB
CHARGE_ATTR 2.00 12.00 45
H A 0005 LYS NZ 9.190 C B 0112 GLU OE1
H A 0005 LYS NZ 10.43 C B 0112 GLU OE2
H A 0005 LYS NZ 4.470 H B 0122 ASP OD1
H A 0005 LYS NZ 2.783 H B 0122 ASP OD2
H A 0007 LYS NZ 9.333 C B 0112 GLU OE1
H A 0007 LYS NZ 7.737 C B 0112 GLU OE2
H A 0018 HIS ND1 6.627 C B 0100 ASP OD1
H A 0018 HIS ND1 6.129 C B 0100 ASP OD2
H A 0018 HIS NE2 8.530 C B 0100 ASP OD1
H A 0018 HIS NE2 8.284 C B 0100 ASP OD2
H A 0020 HIS ND1 11.97 C B 0100 ASP OD1
H A 0020 HIS NE2 11.89 H B 0139 GLU OE1
H A 0020 HIS NE2 11.64 H B 0139 GLU OE2
H A 0020 HIS ND1 4.556 H B 0146 ASP OD1
H A 0020 HIS ND1 6.279 H B 0146 ASP OD2
H A 0020 HIS NE2 4.399 H B 0146 ASP OD1
H A 0020 HIS NE2 6.449 H B 0146 ASP OD2
H A 0021 LYS NZ 2.787 C B 0100 ASP OD1
H A 0021 LYS NZ 3.084 C B 0100 ASP OD2
H A 0021 LYS NZ 11.91 H B 0146 ASP OD1
H A 0024 ARG NH1 4.841 H B 0146 ASP OD1
H A 0024 ARG NH1 4.844 H B 0146 ASP OD2
H A 0024 ARG NH2 3.476 H B 0146 ASP OD1
H A 0024 ARG NH2 2.849 H B 0146 ASP OD2
H A 0025 ARG NH1 7.334 C B 0100 ASP OD1
H A 0025 ARG NH1 8.896 C B 0100 ASP OD2
H A 0025 ARG NH2 9.195 C B 0100 ASP OD1
H A 0025 ARG NH2 10.89 C B 0100 ASP OD2
H A 0039 HIS NE2 10.95 H B 0111 ASP OD1
H A 0039 HIS NE2 11.89 H B 0111 ASP OD2
H A 0057 LYS NZ 11.00 H B 0122 ASP OD1
H A 0057 LYS NZ 3.184 H B 0124 GLU OE1
H A 0057 LYS NZ 2.751 H B 0124 GLU OE2
H A 0068 ARG NH1 9.807 H B 0140 GLU OE1
H A 0068 ARG NH1 11.80 H B 0140 GLU OE2
H A 0068 ARG NH2 11.72 H B 0140 GLU OE1
H A 0073 HIS ND1 10.73 H B 0124 GLU OE1
H A 0073 HIS ND1 11.07 H B 0124 GLU OE2
H A 0075 LYS NZ 11.45 H B 0139 GLU OE2
H A 0075 LYS NZ 10.22 H B 0140 GLU OE1
H A 0075 LYS NZ 9.387 H B 0140 GLU OE2
H A 0075 LYS NZ 11.17 H B 0146 ASP OD1
H A 0075 LYS NZ 10.21 H B 0146 ASP OD2
C A 0081 ASP OD2 10.81 C B 0104 ARG NH2
C A 0095 ARG NH1 11.92 C B 0100 ASP OD1
CHARGE_REPU 2.00 12.00 33
H A 0002 ASP OD1 6.974 C B 0112 GLU OE1
H A 0002 ASP OD1 7.560 C B 0112 GLU OE2
H A 0002 ASP OD2 8.665 C B 0112 GLU OE1
H A 0002 ASP OD2 9.502 C B 0112 GLU OE2
H A 0002 ASP OD1 10.34 H B 0122 ASP OD1
H A 0002 ASP OD1 9.039 H B 0122 ASP OD2
H A 0002 ASP OD2 10.49 H B 0122 ASP OD1
H A 0002 ASP OD2 9.527 H B 0122 ASP OD2
H A 0004 GLU OE1 10.00 H B 0111 ASP OD2
H A 0004 GLU OE2 10.63 H B 0111 ASP OD1
H A 0004 GLU OE2 8.446 H B 0111 ASP OD2
H A 0004 GLU OE1 4.446 C B 0112 GLU OE1
H A 0004 GLU OE1 5.580 C B 0112 GLU OE2
H A 0004 GLU OE2 4.156 C B 0112 GLU OE1
H A 0004 GLU OE2 4.605 C B 0112 GLU OE2
H A 0004 GLU OE1 11.68 H B 0122 ASP OD2
H A 0006 ARG NH2 11.98 C B 0133 ARG NH1
H A 0007 LYS NZ 11.75 C B 0104 ARG NH1
H A 0007 LYS NZ 10.35 C B 0104 ARG NH2
H A 0018 HIS ND1 11.91 C B 0104 ARG NH1
H A 0021 LYS NZ 9.262 C B 0104 ARG NH1
H A 0021 LYS NZ 11.31 C B 0104 ARG NH2
H A 0057 LYS NZ 7.170 C B 0133 ARG NH1
H A 0057 LYS NZ 5.034 C B 0133 ARG NH2
H A 0073 HIS NE2 11.74 C B 0104 ARG NH2
H A 0073 HIS ND1 10.71 C B 0133 ARG NH1
H A 0073 HIS ND1 11.53 C B 0133 ARG NH2
H A 0075 LYS NZ 9.741 H B 0143 ARG NH1
H A 0075 LYS NZ 8.339 H B 0143 ARG NH2
C A 0093 ASP OD1 9.849 C B 0100 ASP OD1
C A 0093 ASP OD1 10.60 C B 0100 ASP OD2
C A 0093 ASP OD2 7.779 C B 0100 ASP OD1
C A 0093 ASP OD2 8.738 C B 0100 ASP OD2
HB_MS 2.00 3.20 7
H A 0002 ASP N 2.848 H B 0126 ASN OD1
H A 0006 ARG NH2 2.907 H B 0126 ASN O
H A 0007 LYS O 2.968 H B 0109 SER OG
H A 0066 SER OG 3.170 C B 0118 LEU O
H A 0072 SER OG 2.843 C B 0136 LEU N
H A 0073 HIS ND1 2.905 H B 0127 ALA O
C A 0083 PRO O 2.948 C B 0104 ARG NH2
HB_SS 2.00 3.20 1
H A 0075 LYS NZ 2.834 H B 0147 GLN OE1
AROMATIC 0.00 8.00 1
H A 0057 LYS 7.854 H B 0121 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 163
C B 0099 SER C 2.509 C B 0100 ASP CA
C B 0099 SER C 3.704 C B 0100 ASP C
C B 0099 SER C 3.306 C B 0100 ASP CB
C B 0100 ASP C 2.485 C B 0101 LEU CA
C B 0100 ASP C 3.112 C B 0101 LEU C
C B 0100 ASP C 3.745 C B 0101 LEU CB
C B 0101 LEU C 2.471 C B 0102 ALA CA
C B 0101 LEU C 3.020 C B 0102 ALA C
C B 0101 LEU C 3.730 C B 0102 ALA CB
C B 0102 ALA C 2.504 C B 0103 CYS CA
C B 0102 ALA C 3.250 C B 0103 CYS C
C B 0102 ALA C 3.727 C B 0103 CYS CB
C B 0103 CYS C 2.502 C B 0104 ARG CA
C B 0103 CYS C 3.028 C B 0104 ARG C
C B 0104 ARG C 2.514 C B 0105 LEU CA
C B 0104 ARG C 3.033 C B 0105 LEU C
C B 0104 ARG C 3.368 C B 0105 LEU CB
C B 0105 LEU C 2.472 H B 0106 LEU CA
C B 0105 LEU C 3.029 H B 0106 LEU C
C B 0105 LEU C 3.753 H B 0106 LEU CB
H B 0106 LEU C 2.526 H B 0107 GLY CA
H B 0106 LEU C 3.061 H B 0107 GLY C
H B 0106 LEU C 3.542 H B 0110 MET CG
H B 0107 GLY C 2.517 H B 0108 GLN CA
H B 0107 GLY C 3.015 H B 0108 GLN C
H B 0107 GLY C 3.739 H B 0108 GLN CB
H B 0108 GLN C 2.499 H B 0109 SER CA
H B 0108 GLN C 3.371 H B 0109 SER C
H B 0108 GLN C 3.657 H B 0109 SER CB
H B 0109 SER C 2.502 H B 0110 MET CA
H B 0109 SER C 3.092 H B 0110 MET C
H B 0109 SER C 3.772 H B 0110 MET CB
H B 0110 MET C 2.500 H B 0111 ASP CA
H B 0110 MET C 3.095 H B 0111 ASP C
H B 0110 MET C 3.737 H B 0111 ASP CB
H B 0111 ASP C 2.487 C B 0112 GLU CA
H B 0111 ASP C 3.197 C B 0112 GLU C
H B 0111 ASP C 3.736 C B 0112 GLU CB
C B 0112 GLU C 2.536 C B 0113 SER CA
C B 0112 GLU C 3.265 C B 0113 SER C
C B 0112 GLU C 3.156 C B 0113 SER CB
C B 0113 SER C 2.505 C B 0114 GLY CA
C B 0113 SER C 3.692 C B 0114 GLY C
C B 0114 GLY C 2.497 C B 0115 LEU CA
C B 0114 GLY C 3.542 C B 0115 LEU C
C B 0114 GLY C 3.521 C B 0115 LEU CB
C B 0114 GLY C 3.696 C B 0115 LEU CG
C B 0115 LEU CA 2.978 C B 0116 PRO CD
C B 0115 LEU C 2.477 C B 0116 PRO CA
C B 0115 LEU C 3.267 C B 0116 PRO C
C B 0115 LEU C 3.631 C B 0116 PRO CB
C B 0115 LEU C 3.698 C B 0116 PRO CG
C B 0115 LEU C 2.506 C B 0116 PRO CD
C B 0116 PRO C 2.489 C B 0117 GLN CA
C B 0116 PRO C 3.491 C B 0117 GLN C
C B 0116 PRO C 3.533 C B 0117 GLN CB
C B 0116 PRO C 3.720 C B 0117 GLN CG
C B 0117 GLN C 2.480 C B 0118 LEU CA
C B 0117 GLN C 3.111 C B 0118 LEU C
C B 0117 GLN C 3.739 C B 0118 LEU CB
C B 0118 LEU C 2.478 H B 0119 THR CA
C B 0118 LEU C 3.639 H B 0119 THR C
C B 0118 LEU C 3.384 H B 0119 THR CB
C B 0118 LEU C 3.367 H B 0119 THR CG2
H B 0119 THR C 2.481 H B 0120 SER CA
H B 0119 THR C 2.969 H B 0120 SER C
H B 0119 THR C 3.751 H B 0120 SER CB
H B 0120 SER C 2.492 H B 0121 TYR CA
H B 0120 SER C 3.043 H B 0121 TYR C
H B 0120 SER C 3.754 H B 0121 TYR CB
H B 0121 TYR C 2.484 H B 0122 ASP CA
H B 0121 TYR C 3.029 H B 0122 ASP C
H B 0121 TYR C 3.768 H B 0122 ASP CB
H B 0121 TYR CE2 3.720 H B 0125 VAL CG2
H B 0121 TYR CZ 3.789 H B 0125 VAL CG2
H B 0122 ASP C 2.473 H B 0123 CYS CA
H B 0122 ASP C 3.091 H B 0123 CYS C
H B 0122 ASP C 3.719 H B 0123 CYS CB
H B 0123 CYS C 2.503 H B 0124 GLU CA
H B 0123 CYS C 3.065 H B 0124 GLU C
H B 0123 CYS C 3.774 H B 0124 GLU CB
H B 0124 GLU C 2.504 H B 0125 VAL CA
H B 0124 GLU C 3.143 H B 0125 VAL C
H B 0124 GLU C 3.748 H B 0125 VAL CB
H B 0125 VAL C 2.479 H B 0126 ASN CA
H B 0125 VAL C 3.232 H B 0126 ASN C
H B 0125 VAL C 3.706 H B 0126 ASN CB
H B 0126 ASN C 2.480 H B 0127 ALA CA
H B 0126 ASN C 3.643 H B 0127 ALA C
H B 0126 ASN C 3.349 H B 0127 ALA CB
H B 0126 ASN C 3.683 C B 0128 PRO CD
H B 0127 ALA CA 2.959 C B 0128 PRO CD
H B 0127 ALA C 2.486 C B 0128 PRO CA
H B 0127 ALA C 3.084 C B 0128 PRO C
H B 0127 ALA C 3.707 C B 0128 PRO CB
H B 0127 ALA C 3.689 C B 0128 PRO CG
H B 0127 ALA C 2.507 C B 0128 PRO CD
C B 0128 PRO C 2.497 C B 0129 ILE CA
C B 0128 PRO C 3.073 C B 0129 ILE C
C B 0128 PRO C 3.750 C B 0129 ILE CB
C B 0129 ILE C 2.477 C B 0130 GLN CA
C B 0129 ILE C 3.068 C B 0130 GLN C
C B 0129 ILE C 3.730 C B 0130 GLN CB
C B 0130 GLN C 2.483 C B 0131 GLY CA
C B 0130 GLN C 3.277 C B 0131 GLY C
C B 0131 GLY C 2.509 C B 0132 SER CA
C B 0131 GLY C 3.665 C B 0132 SER C
C B 0131 GLY C 3.417 C B 0132 SER CB
C B 0132 SER C 2.476 C B 0133 ARG CA
C B 0132 SER C 3.133 C B 0133 ARG C
C B 0132 SER C 3.762 C B 0133 ARG CB
C B 0133 ARG C 2.503 C B 0134 ASN CA
C B 0133 ARG C 3.697 C B 0134 ASN C
C B 0133 ARG C 3.261 C B 0134 ASN CB
C B 0134 ASN C 2.501 C B 0135 LEU CA
C B 0134 ASN C 3.669 C B 0135 LEU C
C B 0134 ASN C 3.385 C B 0135 LEU CB
C B 0134 ASN C 3.598 C B 0135 LEU CG
C B 0135 LEU C 2.502 C B 0136 LEU CA
C B 0135 LEU C 3.014 C B 0136 LEU C
C B 0135 LEU C 3.709 C B 0136 LEU CB
C B 0136 LEU C 2.481 C B 0137 GLN CA
C B 0136 LEU C 3.735 C B 0137 GLN C
C B 0136 LEU C 3.256 C B 0137 GLN CB
C B 0136 LEU CD1 3.427 H B 0140 GLU C
C B 0136 LEU CD1 3.547 H B 0140 GLU CB
C B 0136 LEU CD1 3.675 H B 0141 LEU CA
C B 0137 GLN C 2.500 H B 0138 GLY CA
C B 0137 GLN C 3.166 H B 0138 GLY C
C B 0137 GLN CA 3.753 H B 0141 LEU CG
H B 0138 GLY C 2.492 H B 0139 GLU CA
H B 0138 GLY C 3.048 H B 0139 GLU C
H B 0138 GLY C 3.747 H B 0139 GLU CB
H B 0139 GLU C 2.486 H B 0140 GLU CA
H B 0139 GLU C 3.067 H B 0140 GLU C
H B 0139 GLU C 3.756 H B 0140 GLU CB
H B 0140 GLU C 2.481 H B 0141 LEU CA
H B 0140 GLU C 2.992 H B 0141 LEU C
H B 0140 GLU C 3.778 H B 0141 LEU CB
H B 0141 LEU C 2.471 H B 0142 LEU CA
H B 0141 LEU C 3.034 H B 0142 LEU C
H B 0141 LEU C 3.755 H B 0142 LEU CB
H B 0142 LEU C 2.500 H B 0143 ARG CA
H B 0142 LEU C 3.065 H B 0143 ARG C
H B 0142 LEU C 3.765 H B 0143 ARG CB
H B 0143 ARG C 2.476 H B 0144 ALA CA
H B 0143 ARG C 3.069 H B 0144 ALA C
H B 0143 ARG C 3.739 H B 0144 ALA CB
H B 0144 ALA C 2.485 H B 0145 LEU CA
H B 0144 ALA C 3.129 H B 0145 LEU C
H B 0144 ALA C 3.770 H B 0145 LEU CB
H B 0145 LEU C 2.481 H B 0146 ASP CA
H B 0145 LEU C 3.140 H B 0146 ASP C
H B 0145 LEU C 3.744 H B 0146 ASP CB
H B 0146 ASP C 2.511 H B 0147 GLN CA
H B 0146 ASP C 3.159 H B 0147 GLN C
H B 0146 ASP C 3.765 H B 0147 GLN CB
H B 0147 GLN C 2.506 C B 0148 VAL CA
H B 0147 GLN C 3.118 C B 0148 VAL C
H B 0147 GLN C 3.785 C B 0148 VAL CB
C B 0148 VAL C 2.504 C B 0149 ASN CA
C B 0148 VAL C 3.131 C B 0149 ASN C
C B 0148 VAL C 3.778 C B 0149 ASN CB
CHARGE_ATTR 2.00 12.00 21
C B 0100 ASP OD1 9.644 C B 0104 ARG NH1
C B 0100 ASP OD1 11.60 C B 0104 ARG NH2
C B 0100 ASP OD2 7.772 C B 0104 ARG NH1
C B 0100 ASP OD2 9.827 C B 0104 ARG NH2
H B 0122 ASP OD1 11.33 C B 0133 ARG NH2
H B 0124 GLU OE1 4.554 C B 0133 ARG NH1
H B 0124 GLU OE1 2.811 C B 0133 ARG NH2
H B 0124 GLU OE2 6.666 C B 0133 ARG NH1
H B 0124 GLU OE2 4.888 C B 0133 ARG NH2
H B 0139 GLU OE1 4.973 H B 0143 ARG NH1
H B 0139 GLU OE1 7.158 H B 0143 ARG NH2
H B 0139 GLU OE2 2.837 H B 0143 ARG NH1
H B 0139 GLU OE2 5.000 H B 0143 ARG NH2
H B 0140 GLU OE1 6.000 H B 0143 ARG NH1
H B 0140 GLU OE1 7.167 H B 0143 ARG NH2
H B 0140 GLU OE2 3.901 H B 0143 ARG NH1
H B 0140 GLU OE2 5.010 H B 0143 ARG NH2
H B 0146 ASP OD1 11.29 H B 0143 ARG NH1
H B 0146 ASP OD1 11.19 H B 0143 ARG NH2
H B 0146 ASP OD2 10.79 H B 0143 ARG NH1
H B 0146 ASP OD2 10.30 H B 0143 ARG NH2
CHARGE_REPU 2.00 12.00 16
H B 0111 ASP OD1 8.983 C B 0112 GLU OE1
H B 0111 ASP OD1 8.481 C B 0112 GLU OE2
H B 0111 ASP OD2 7.097 C B 0112 GLU OE1
H B 0111 ASP OD2 6.681 C B 0112 GLU OE2
C B 0112 GLU OE1 11.36 H B 0122 ASP OD2
H B 0122 ASP OD1 10.40 H B 0124 GLU OE1
H B 0122 ASP OD1 9.431 H B 0124 GLU OE2
H B 0122 ASP OD2 11.86 H B 0124 GLU OE1
H B 0122 ASP OD2 10.75 H B 0124 GLU OE2
H B 0139 GLU OE1 6.452 H B 0140 GLU OE1
H B 0139 GLU OE1 5.674 H B 0140 GLU OE2
H B 0139 GLU OE2 5.523 H B 0140 GLU OE1
H B 0139 GLU OE2 4.140 H B 0140 GLU OE2
H B 0139 GLU OE1 11.97 H B 0146 ASP OD1
H B 0139 GLU OE2 11.21 H B 0146 ASP OD1
H B 0139 GLU OE2 11.24 H B 0146 ASP OD2
HB_MM 2.00 3.20 76
C B 0100 ASP N 2.242 C B 0099 SER O
C B 0101 LEU N 2.255 C B 0100 ASP O
C B 0102 ALA N 2.243 C B 0101 LEU O
C B 0103 CYS N 2.261 C B 0102 ALA O
C B 0104 ARG N 3.149 C B 0101 LEU O
C B 0104 ARG N 3.126 C B 0102 ALA O
C B 0104 ARG N 2.252 C B 0103 CYS O
C B 0105 LEU N 3.146 C B 0103 CYS O
C B 0105 LEU N 2.256 C B 0104 ARG O
H B 0106 LEU N 2.244 C B 0105 LEU O
H B 0107 GLY N 2.263 H B 0106 LEU O
H B 0108 GLN N 3.044 H B 0106 LEU O
H B 0108 GLN N 2.264 H B 0107 GLY O
H B 0109 SER N 3.115 H B 0106 LEU O
H B 0109 SER N 2.258 H B 0108 GLN O
H B 0110 MET N 2.994 H B 0106 LEU O
H B 0110 MET N 2.250 H B 0109 SER O
H B 0111 ASP N 3.144 H B 0107 GLY O
H B 0111 ASP N 3.192 H B 0109 SER O
H B 0111 ASP N 2.251 H B 0110 MET O
C B 0112 GLU N 3.148 H B 0109 SER O
C B 0112 GLU N 2.246 H B 0111 ASP O
C B 0113 SER N 3.030 H B 0111 ASP O
C B 0113 SER N 2.257 C B 0112 GLU O
C B 0114 GLY N 2.834 C B 0112 GLU O
C B 0114 GLY N 2.246 C B 0113 SER O
C B 0115 LEU N 2.255 C B 0114 GLY O
C B 0116 PRO N 2.256 C B 0115 LEU O
C B 0117 GLN N 2.251 C B 0116 PRO O
C B 0118 LEU N 2.260 C B 0117 GLN O
H B 0119 THR N 2.239 C B 0118 LEU O
H B 0120 SER N 2.252 H B 0119 THR O
H B 0121 TYR N 2.255 H B 0120 SER O
H B 0122 ASP N 2.248 H B 0121 TYR O
H B 0123 CYS N 2.972 H B 0119 THR O
H B 0123 CYS N 2.247 H B 0122 ASP O
H B 0124 GLU N 2.852 H B 0120 SER O
H B 0124 GLU N 2.247 H B 0123 CYS O
H B 0125 VAL N 2.935 H B 0121 TYR O
H B 0125 VAL N 2.249 H B 0124 GLU O
H B 0126 ASN N 2.941 H B 0122 ASP O
H B 0126 ASN N 2.246 H B 0125 VAL O
H B 0127 ALA N 2.883 H B 0123 CYS O
H B 0127 ALA N 2.249 H B 0126 ASN O
C B 0128 PRO N 2.260 H B 0127 ALA O
C B 0129 ILE N 2.254 C B 0128 PRO O
C B 0130 GLN N 2.253 C B 0129 ILE O
C B 0131 GLY N 2.246 C B 0130 GLN O
C B 0132 SER N 2.258 C B 0131 GLY O
C B 0133 ARG N 2.253 C B 0132 SER O
C B 0134 ASN N 2.257 C B 0133 ARG O
C B 0135 LEU N 2.242 C B 0134 ASN O
C B 0136 LEU N 2.253 C B 0135 LEU O
C B 0137 GLN N 2.247 C B 0136 LEU O
H B 0138 GLY N 2.254 C B 0137 GLN O
H B 0139 GLU N 2.244 H B 0138 GLY O
H B 0140 GLU N 3.194 H B 0138 GLY O
H B 0140 GLU N 2.250 H B 0139 GLU O
H B 0141 LEU N 2.996 H B 0138 GLY O
H B 0141 LEU N 3.179 H B 0139 GLU O
H B 0141 LEU N 2.254 H B 0140 GLU O
H B 0142 LEU N 3.172 H B 0139 GLU O
H B 0142 LEU N 2.249 H B 0141 LEU O
H B 0143 ARG N 3.149 H B 0139 GLU O
H B 0143 ARG N 2.252 H B 0142 LEU O
H B 0144 ALA N 2.891 H B 0140 GLU O
H B 0144 ALA N 3.095 H B 0141 LEU O
H B 0144 ALA N 2.250 H B 0143 ARG O
H B 0145 LEU N 2.880 H B 0141 LEU O
H B 0145 LEU N 2.235 H B 0144 ALA O
H B 0146 ASP N 2.843 H B 0142 LEU O
H B 0146 ASP N 2.230 H B 0145 LEU O
H B 0147 GLN N 2.254 H B 0146 ASP O
C B 0148 VAL N 2.959 H B 0146 ASP O
C B 0148 VAL N 2.250 H B 0147 GLN O
C B 0149 ASN N 2.261 C B 0148 VAL O
HB_MS 2.00 3.20 11
C B 0100 ASP N 2.923 C B 0099 SER OG
C B 0102 ALA N 3.139 C B 0100 ASP OD2
C B 0102 ALA O 3.021 C B 0104 ARG NH1
C B 0103 CYS N 3.119 C B 0100 ASP OD2
C B 0105 LEU O 2.941 H B 0108 GLN NE2
H B 0121 TYR N 3.062 H B 0120 SER OG
H B 0122 ASP O 2.819 H B 0126 ASN ND2
C B 0131 GLY N 3.036 C B 0130 GLN OE1
C B 0135 LEU N 2.902 C B 0134 ASN OD1
C B 0135 LEU O 2.875 C B 0137 GLN NE2
H B 0146 ASP O 2.814 C B 0149 ASN ND2
AROMATIC 0.00 8.00 1
C B 0133 ARG 7.433 H B 0121 TYR