Complet list of 1tnq con file
Complete list of 1tnq.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 328
C A 0001 ALA C 2.491 C A 0002 SER CA
C A 0001 ALA C 3.453 C A 0002 SER C
C A 0001 ALA C 3.600 C A 0002 SER CB
C A 0002 SER C 2.492 C A 0003 MET CA
C A 0002 SER C 3.492 C A 0003 MET C
C A 0002 SER C 3.575 C A 0003 MET CB
C A 0003 MET C 2.494 C A 0004 THR CA
C A 0003 MET C 3.356 C A 0004 THR C
C A 0003 MET C 3.684 C A 0004 THR CB
C A 0004 THR C 2.493 C A 0005 ASP CA
C A 0004 THR C 3.067 C A 0005 ASP C
C A 0004 THR C 3.796 C A 0005 ASP CB
C A 0005 ASP C 2.498 H A 0006 GLN CA
C A 0005 ASP C 2.949 H A 0006 GLN C
C A 0005 ASP C 3.781 H A 0006 GLN CB
H A 0006 GLN C 2.494 H A 0007 GLN CA
H A 0006 GLN C 3.271 H A 0007 GLN C
H A 0006 GLN C 3.748 H A 0007 GLN CB
H A 0006 GLN CG 3.490 H A 0007 GLN CG
H A 0006 GLN C 3.648 H A 0080 VAL CG1
H A 0006 GLN CG 3.662 H A 0080 VAL CG1
H A 0007 GLN C 2.493 H A 0008 ALA CA
H A 0007 GLN C 2.986 H A 0008 ALA C
H A 0007 GLN C 3.753 H A 0008 ALA CB
H A 0007 GLN CA 3.386 H A 0080 VAL CG2
H A 0007 GLN CB 3.242 H A 0080 VAL CG2
H A 0007 GLN CG 3.150 H A 0080 VAL CG2
H A 0008 ALA C 2.494 H A 0009 GLU CA
H A 0008 ALA C 3.154 H A 0009 GLU C
H A 0008 ALA C 3.784 H A 0009 GLU CB
H A 0009 GLU C 2.494 H A 0010 ALA CA
H A 0009 GLU C 3.157 H A 0010 ALA C
H A 0009 GLU C 3.744 H A 0010 ALA CB
H A 0010 ALA C 2.497 H A 0011 ARG CA
H A 0010 ALA C 3.145 H A 0011 ARG C
H A 0010 ALA C 3.771 H A 0011 ARG CB
H A 0010 ALA CB 3.786 H A 0080 VAL CA
H A 0010 ALA CA 3.607 H A 0083 VAL CG2
H A 0010 ALA CB 3.581 H A 0083 VAL CB
H A 0010 ALA CB 3.615 H A 0083 VAL CG1
H A 0010 ALA CB 3.320 H A 0083 VAL CG2
H A 0011 ARG C 2.493 H A 0012 ALA CA
H A 0011 ARG C 3.178 H A 0012 ALA C
H A 0011 ARG C 3.737 H A 0012 ALA CB
H A 0012 ALA C 2.492 H A 0013 PHE CA
H A 0012 ALA C 3.153 H A 0013 PHE C
H A 0012 ALA C 3.749 H A 0013 PHE CB
H A 0013 PHE C 2.495 C A 0014 LEU CA
H A 0013 PHE C 3.344 C A 0014 LEU C
H A 0013 PHE C 3.694 C A 0014 LEU CB
H A 0013 PHE CG 3.777 H A 0086 MET CE
H A 0013 PHE CD2 3.422 H A 0086 MET CE
H A 0013 PHE CE1 3.716 H A 0086 MET CE
H A 0013 PHE CE2 3.195 H A 0086 MET CE
H A 0013 PHE CZ 3.352 H A 0086 MET CE
C A 0014 LEU C 2.492 C A 0015 SER CA
C A 0014 LEU C 3.169 C A 0015 SER C
C A 0014 LEU C 3.744 C A 0015 SER CB
C A 0014 LEU CD1 3.693 H A 0079 LEU CB
C A 0014 LEU CD1 3.790 H A 0079 LEU CD1
C A 0014 LEU CG 3.558 H A 0083 VAL CG2
C A 0014 LEU CD1 3.210 H A 0083 VAL CG2
C A 0014 LEU CD2 3.787 H A 0083 VAL CG2
C A 0014 LEU CD2 3.512 H A 0086 MET CE
C A 0015 SER C 2.495 H A 0016 GLU CA
C A 0015 SER C 3.208 H A 0016 GLU C
C A 0015 SER C 3.743 H A 0016 GLU CB
C A 0015 SER C 3.739 H A 0019 ILE CD1
H A 0016 GLU C 2.492 H A 0017 GLU CA
H A 0016 GLU C 3.120 H A 0017 GLU C
H A 0016 GLU C 3.780 H A 0017 GLU CB
H A 0017 GLU C 2.492 H A 0018 MET CA
H A 0017 GLU C 3.180 H A 0018 MET C
H A 0017 GLU C 3.763 H A 0018 MET CB
H A 0018 MET C 2.496 H A 0019 ILE CA
H A 0018 MET C 3.032 H A 0019 ILE C
H A 0019 ILE C 2.494 H A 0020 ALA CA
H A 0019 ILE C 3.096 H A 0020 ALA C
H A 0019 ILE C 3.753 H A 0020 ALA CB
H A 0019 ILE CG2 3.491 H A 0075 PHE CE2
H A 0019 ILE CG2 3.573 H A 0075 PHE CZ
H A 0019 ILE CG1 3.725 H A 0079 LEU CD1
H A 0020 ALA C 2.492 H A 0021 GLU CA
H A 0020 ALA C 3.030 H A 0021 GLU C
H A 0020 ALA C 3.781 H A 0021 GLU CB
H A 0021 GLU C 2.496 H A 0022 PHE CA
H A 0021 GLU C 3.307 H A 0022 PHE C
H A 0021 GLU C 3.715 H A 0022 PHE CB
H A 0022 PHE C 2.499 H A 0023 LYS CA
H A 0022 PHE C 2.953 H A 0023 LYS C
H A 0022 PHE C 3.799 H A 0023 LYS CB
H A 0023 LYS C 2.492 H A 0024 ALA CA
H A 0023 LYS C 3.072 H A 0024 ALA C
H A 0023 LYS C 3.755 H A 0024 ALA CB
H A 0024 ALA C 2.492 H A 0025 ALA CA
H A 0024 ALA C 3.194 H A 0025 ALA C
H A 0024 ALA C 3.737 H A 0025 ALA CB
H A 0025 ALA C 2.493 H A 0026 PHE CA
H A 0025 ALA C 3.170 H A 0026 PHE C
H A 0025 ALA C 3.768 H A 0026 PHE CB
H A 0026 PHE C 2.491 H A 0027 ASP CA
H A 0026 PHE C 3.083 H A 0027 ASP C
H A 0026 PHE C 3.793 H A 0027 ASP CB
H A 0026 PHE CG 3.353 H A 0075 PHE CD1
H A 0026 PHE CG 3.738 H A 0075 PHE CE1
H A 0026 PHE CD1 3.597 H A 0075 PHE CD1
H A 0026 PHE CD2 3.254 H A 0075 PHE CD1
H A 0026 PHE CE1 3.721 H A 0075 PHE CD1
H A 0026 PHE CE2 3.735 H A 0075 PHE CB
H A 0026 PHE CE2 3.389 H A 0075 PHE CD1
H A 0026 PHE CZ 3.666 H A 0075 PHE CA
H A 0026 PHE CZ 3.504 H A 0075 PHE CB
H A 0026 PHE CZ 3.636 H A 0075 PHE CD1
H A 0027 ASP C 2.493 H A 0028 MET CA
H A 0027 ASP C 2.909 H A 0028 MET C
H A 0028 MET C 2.490 H A 0029 PHE CA
H A 0028 MET C 3.000 H A 0029 PHE C
H A 0028 MET C 3.796 H A 0029 PHE CB
H A 0029 PHE C 2.493 C A 0030 ASP CA
H A 0029 PHE C 3.041 C A 0030 ASP C
H A 0029 PHE C 3.800 C A 0030 ASP CB
H A 0029 PHE CB 3.759 E A 0037 ILE CD1
H A 0029 PHE CD2 3.557 E A 0037 ILE CD1
H A 0029 PHE CE2 3.751 C A 0042 LEU CA
H A 0029 PHE CE2 3.618 C A 0042 LEU CB
H A 0029 PHE CE2 3.742 C A 0042 LEU CG
H A 0029 PHE CE2 3.040 C A 0042 LEU CD1
H A 0029 PHE CZ 3.030 C A 0042 LEU CD1
H A 0029 PHE CD1 3.368 C A 0045 VAL CG1
H A 0029 PHE CE1 3.138 C A 0045 VAL CG1
C A 0030 ASP C 2.495 C A 0031 ALA CA
C A 0030 ASP C 3.227 C A 0031 ALA C
C A 0030 ASP C 2.924 C A 0031 ALA CB
C A 0030 ASP CA 3.417 E A 0037 ILE CG2
C A 0031 ALA C 2.495 C A 0032 ASP CA
C A 0031 ALA C 3.628 C A 0032 ASP C
C A 0031 ALA C 3.438 C A 0032 ASP CB
C A 0032 ASP C 2.490 C A 0033 GLY CA
C A 0032 ASP C 3.477 C A 0033 GLY C
C A 0033 GLY C 2.487 C A 0034 GLY CA
C A 0033 GLY C 3.434 C A 0034 GLY C
C A 0034 GLY C 2.488 C A 0035 GLY CA
C A 0034 GLY C 3.687 C A 0035 GLY C
C A 0035 GLY C 2.495 E A 0036 ASP CA
C A 0035 GLY C 3.747 E A 0036 ASP C
C A 0035 GLY C 3.186 E A 0036 ASP CB
C A 0035 GLY C 3.493 E A 0036 ASP CG
E A 0036 ASP C 2.499 E A 0037 ILE CA
E A 0036 ASP C 3.289 E A 0037 ILE C
E A 0036 ASP C 3.772 E A 0037 ILE CB
E A 0037 ILE C 2.492 C A 0038 SER CA
E A 0037 ILE C 3.721 C A 0038 SER C
E A 0037 ILE C 3.255 C A 0038 SER CB
C A 0038 SER C 2.496 C A 0039 THR CA
C A 0038 SER C 3.251 C A 0039 THR C
C A 0038 SER C 3.756 C A 0039 THR CB
C A 0038 SER CB 3.766 C A 0041 GLU CG
C A 0038 SER C 3.522 H A 0062 ILE CD1
C A 0039 THR C 2.492 C A 0040 LYS CA
C A 0039 THR C 3.107 C A 0040 LYS C
C A 0039 THR C 3.759 C A 0040 LYS CB
C A 0039 THR CA 3.242 H A 0062 ILE CD1
C A 0039 THR CB 3.595 H A 0062 ILE CD1
C A 0039 THR CG2 3.512 H A 0062 ILE CB
C A 0039 THR CG2 3.313 H A 0062 ILE CG1
C A 0039 THR CG2 2.893 H A 0062 ILE CD1
C A 0040 LYS C 2.493 C A 0041 GLU CA
C A 0040 LYS C 2.955 C A 0041 GLU C
C A 0040 LYS C 3.794 C A 0041 GLU CB
C A 0041 GLU C 2.492 C A 0042 LEU CA
C A 0041 GLU C 3.083 C A 0042 LEU C
C A 0041 GLU C 3.786 C A 0042 LEU CB
C A 0042 LEU C 2.490 C A 0043 GLY CA
C A 0042 LEU C 2.983 C A 0043 GLY C
C A 0042 LEU CD1 3.513 C A 0046 MET CG
C A 0043 GLY C 2.492 C A 0044 THR CA
C A 0043 GLY C 3.054 C A 0044 THR C
C A 0043 GLY CA 3.581 H A 0058 LEU CD1
C A 0043 GLY CA 3.425 H A 0058 LEU CD2
C A 0044 THR C 2.498 C A 0045 VAL CA
C A 0044 THR C 2.997 C A 0045 VAL C
C A 0045 VAL C 2.494 C A 0046 MET CA
C A 0045 VAL C 3.045 C A 0046 MET C
C A 0045 VAL C 3.794 C A 0046 MET CB
C A 0046 MET C 2.495 C A 0047 ARG CA
C A 0046 MET C 3.065 C A 0047 ARG C
C A 0046 MET C 3.785 C A 0047 ARG CB
C A 0047 ARG C 2.495 C A 0048 MET CA
C A 0047 ARG C 2.930 C A 0048 MET C
C A 0047 ARG C 3.800 C A 0048 MET CB
C A 0047 ARG CG 3.539 C A 0053 PRO CD
C A 0048 MET C 2.493 C A 0049 LEU CA
C A 0048 MET C 2.929 C A 0049 LEU C
C A 0048 MET C 3.791 C A 0049 LEU CB
C A 0049 LEU C 2.488 C A 0050 GLY CA
C A 0049 LEU C 3.733 C A 0050 GLY C
C A 0050 GLY C 2.496 C A 0051 GLN CA
C A 0050 GLY C 3.725 C A 0051 GLN C
C A 0050 GLY C 3.229 C A 0051 GLN CB
C A 0051 GLN C 2.491 C A 0052 ASN CA
C A 0051 GLN C 3.710 C A 0052 ASN C
C A 0051 GLN C 3.323 C A 0052 ASN CB
C A 0052 ASN CA 3.016 C A 0053 PRO CD
C A 0052 ASN C 2.518 C A 0053 PRO CA
C A 0052 ASN C 3.294 C A 0053 PRO C
C A 0052 ASN C 3.648 C A 0053 PRO CB
C A 0052 ASN C 3.710 C A 0053 PRO CG
C A 0052 ASN C 2.515 C A 0053 PRO CD
C A 0053 PRO C 2.494 C A 0054 THR CA
C A 0053 PRO C 3.681 C A 0054 THR C
C A 0053 PRO C 3.358 C A 0054 THR CB
C A 0054 THR C 2.493 H A 0055 LYS CA
C A 0054 THR C 3.065 H A 0055 LYS C
C A 0054 THR C 3.782 H A 0055 LYS CB
C A 0054 THR CG2 3.795 H A 0057 GLU CB
H A 0055 LYS C 2.492 H A 0056 GLU CA
H A 0055 LYS C 3.077 H A 0056 GLU C
H A 0055 LYS C 3.777 H A 0056 GLU CB
H A 0056 GLU C 2.493 H A 0057 GLU CA
H A 0056 GLU C 3.094 H A 0057 GLU C
H A 0056 GLU C 3.788 H A 0057 GLU CB
H A 0057 GLU C 2.493 H A 0058 LEU CA
H A 0057 GLU C 3.097 H A 0058 LEU C
H A 0057 GLU C 3.755 H A 0058 LEU CB
H A 0058 LEU C 2.494 H A 0059 ASP CA
H A 0058 LEU C 3.108 H A 0059 ASP C
H A 0058 LEU C 3.790 H A 0059 ASP CB
H A 0059 ASP C 2.491 H A 0060 ALA CA
H A 0059 ASP C 3.189 H A 0060 ALA C
H A 0059 ASP C 3.732 H A 0060 ALA CB
H A 0060 ALA C 2.494 H A 0061 ILE CA
H A 0060 ALA C 2.979 H A 0061 ILE C
H A 0060 ALA CA 3.746 H A 0063 GLU CB
H A 0060 ALA C 3.747 H A 0063 GLU CB
H A 0061 ILE C 2.500 H A 0062 ILE CA
H A 0061 ILE C 3.129 H A 0062 ILE C
H A 0061 ILE C 3.793 H A 0062 ILE CB
H A 0062 ILE C 2.495 H A 0063 GLU CA
H A 0062 ILE C 2.931 H A 0063 GLU C
H A 0062 ILE C 3.786 H A 0063 GLU CB
H A 0062 ILE CG2 3.588 C A 0066 ASP CB
H A 0062 ILE CG1 3.761 E A 0073 ILE CD1
H A 0062 ILE CG2 3.519 E A 0073 ILE CD1
H A 0062 ILE CD1 2.900 E A 0073 ILE CD1
H A 0063 GLU C 2.491 H A 0064 GLU CA
H A 0063 GLU C 3.069 H A 0064 GLU C
H A 0063 GLU C 3.776 H A 0064 GLU CB
H A 0064 GLU C 2.494 C A 0065 VAL CA
H A 0064 GLU C 3.322 C A 0065 VAL C
H A 0064 GLU C 3.711 C A 0065 VAL CB
C A 0065 VAL C 2.491 C A 0066 ASP CA
C A 0065 VAL C 3.757 C A 0066 ASP C
C A 0065 VAL C 3.092 C A 0066 ASP CB
C A 0065 VAL CG1 3.533 H A 0081 MET CG
C A 0066 ASP C 2.506 C A 0067 GLU CA
C A 0066 ASP C 3.296 C A 0067 GLU C
C A 0066 ASP C 3.720 C A 0067 GLU CB
C A 0066 ASP CG 3.587 C A 0071 GLY CA
C A 0067 GLU C 2.501 C A 0068 ASP CA
C A 0067 GLU C 3.564 C A 0068 ASP C
C A 0067 GLU C 3.528 C A 0068 ASP CB
C A 0068 ASP C 2.487 C A 0069 GLY CA
C A 0068 ASP C 3.635 C A 0069 GLY C
C A 0069 GLY C 2.504 C A 0070 SER CA
C A 0069 GLY C 2.961 C A 0070 SER C
C A 0069 GLY C 3.759 C A 0070 SER CB
C A 0070 SER C 2.486 C A 0071 GLY CA
C A 0070 SER C 3.371 C A 0071 GLY C
C A 0071 GLY C 2.496 C A 0072 THR CA
C A 0071 GLY C 3.188 C A 0072 THR C
C A 0071 GLY C 3.780 C A 0072 THR CB
C A 0072 THR CA 3.717 E A 0073 ILE CD1
C A 0072 THR C 2.495 E A 0073 ILE CA
C A 0072 THR C 3.625 E A 0073 ILE C
C A 0072 THR C 3.398 E A 0073 ILE CB
C A 0072 THR C 3.376 E A 0073 ILE CG1
C A 0072 THR C 2.908 E A 0073 ILE CD1
E A 0073 ILE C 2.493 E A 0074 ASP CA
E A 0073 ILE C 3.142 E A 0074 ASP C
E A 0073 ILE C 3.782 E A 0074 ASP CB
E A 0074 ASP C 2.492 H A 0075 PHE CA
E A 0074 ASP C 3.000 H A 0075 PHE C
E A 0074 ASP C 3.789 H A 0075 PHE CB
H A 0075 PHE C 2.495 H A 0076 GLU CA
H A 0075 PHE C 3.316 H A 0076 GLU C
H A 0075 PHE C 3.712 H A 0076 GLU CB
H A 0076 GLU C 2.498 H A 0077 GLU CA
H A 0076 GLU C 3.751 H A 0077 GLU C
H A 0076 GLU C 3.209 H A 0077 GLU CB
H A 0077 GLU C 2.494 H A 0078 PHE CA
H A 0077 GLU C 3.032 H A 0078 PHE C
H A 0077 GLU C 3.791 H A 0078 PHE CB
H A 0077 GLU CA 3.761 H A 0080 VAL CG2
H A 0078 PHE C 2.494 H A 0079 LEU CA
H A 0078 PHE C 3.110 H A 0079 LEU C
H A 0078 PHE C 3.784 H A 0079 LEU CB
H A 0079 LEU C 2.496 H A 0080 VAL CA
H A 0079 LEU C 3.083 H A 0080 VAL C
H A 0080 VAL C 2.497 H A 0081 MET CA
H A 0080 VAL C 3.023 H A 0081 MET C
H A 0080 VAL C 3.799 H A 0081 MET CB
H A 0081 MET C 2.491 H A 0082 MET CA
H A 0081 MET C 3.028 H A 0082 MET C
H A 0081 MET C 3.778 H A 0082 MET CB
H A 0082 MET C 2.496 H A 0083 VAL CA
H A 0082 MET C 3.067 H A 0083 VAL C
H A 0083 VAL C 2.497 H A 0084 ARG CA
H A 0083 VAL C 2.962 H A 0084 ARG C
H A 0083 VAL C 3.787 H A 0084 ARG CB
H A 0084 ARG C 2.492 H A 0085 GLN CA
H A 0084 ARG C 3.111 H A 0085 GLN C
H A 0084 ARG C 3.770 H A 0085 GLN CB
H A 0085 GLN C 2.494 H A 0086 MET CA
H A 0085 GLN C 2.995 H A 0086 MET C
H A 0085 GLN C 3.796 H A 0086 MET CB
H A 0085 GLN CA 3.427 C A 0090 ALA CB
H A 0085 GLN C 3.618 C A 0090 ALA CB
H A 0086 MET C 2.496 C A 0087 LYS CA
H A 0086 MET C 2.998 C A 0087 LYS C
C A 0087 LYS C 2.498 C A 0088 GLU CA
C A 0087 LYS C 2.944 C A 0088 GLU C
C A 0087 LYS C 3.216 C A 0088 GLU CB
C A 0088 GLU C 2.493 C A 0089 ASP CA
C A 0088 GLU C 3.603 C A 0089 ASP C
C A 0088 GLU C 3.468 C A 0089 ASP CB
C A 0089 ASP C 2.492 C A 0090 ALA CA
C A 0089 ASP C 3.124 C A 0090 ALA C
C A 0089 ASP C 3.004 C A 0090 ALA CB
CHARGE_ATTR 2.00 12.00 57
C A 0005 ASP OD1 11.10 H A 0011 ARG NH1
C A 0005 ASP OD1 11.19 H A 0011 ARG NH2
H A 0009 GLU OE1 10.65 H A 0084 ARG NH1
H A 0009 GLU OE1 10.56 H A 0084 ARG NH2
H A 0009 GLU OE2 8.460 H A 0084 ARG NH1
H A 0009 GLU OE2 8.416 H A 0084 ARG NH2
H A 0009 GLU OE1 7.611 C A 0087 LYS NZ
H A 0009 GLU OE2 7.135 C A 0087 LYS NZ
H A 0016 GLU OE1 8.122 H A 0023 LYS NZ
H A 0016 GLU OE2 8.031 H A 0023 LYS NZ
H A 0017 GLU OE1 11.65 H A 0023 LYS NZ
H A 0017 GLU OE2 9.580 H A 0023 LYS NZ
H A 0027 ASP OD1 8.272 H A 0023 LYS NZ
H A 0027 ASP OD2 8.486 H A 0023 LYS NZ
C A 0032 ASP OD1 11.23 C A 0040 LYS NZ
C A 0032 ASP OD2 10.94 C A 0040 LYS NZ
C A 0041 GLU OE1 9.450 C A 0040 LYS NZ
C A 0041 GLU OE2 9.530 C A 0040 LYS NZ
H A 0056 GLU OE1 9.723 H A 0055 LYS NZ
H A 0056 GLU OE2 9.143 H A 0055 LYS NZ
H A 0057 GLU OE1 10.06 C A 0047 ARG NH1
H A 0057 GLU OE2 11.36 C A 0047 ARG NH1
H A 0057 GLU OE1 10.91 H A 0055 LYS NZ
H A 0063 GLU OE1 10.98 H A 0084 ARG NH1
H A 0063 GLU OE1 10.53 H A 0084 ARG NH2
H A 0063 GLU OE2 11.68 H A 0084 ARG NH1
H A 0063 GLU OE2 11.16 H A 0084 ARG NH2
H A 0064 GLU OE1 7.999 H A 0084 ARG NH1
H A 0064 GLU OE1 7.391 H A 0084 ARG NH2
H A 0064 GLU OE2 8.971 H A 0084 ARG NH1
H A 0064 GLU OE2 8.790 H A 0084 ARG NH2
C A 0066 ASP OD1 9.594 H A 0084 ARG NH1
C A 0066 ASP OD1 10.75 H A 0084 ARG NH2
C A 0066 ASP OD2 10.45 H A 0084 ARG NH1
C A 0066 ASP OD2 11.25 H A 0084 ARG NH2
C A 0067 GLU OE1 5.721 H A 0084 ARG NH1
C A 0067 GLU OE1 4.360 H A 0084 ARG NH2
C A 0067 GLU OE2 7.904 H A 0084 ARG NH1
C A 0067 GLU OE2 6.441 H A 0084 ARG NH2
C A 0068 ASP OD1 9.234 H A 0084 ARG NH1
C A 0068 ASP OD1 10.26 H A 0084 ARG NH2
C A 0068 ASP OD2 10.77 H A 0084 ARG NH1
C A 0068 ASP OD2 11.81 H A 0084 ARG NH2
E A 0074 ASP OD1 10.28 H A 0011 ARG NH2
E A 0074 ASP OD1 11.97 H A 0084 ARG NH1
H A 0076 GLU OE1 9.530 H A 0011 ARG NH1
H A 0076 GLU OE1 7.321 H A 0011 ARG NH2
H A 0076 GLU OE2 9.077 H A 0011 ARG NH1
H A 0076 GLU OE2 7.014 H A 0011 ARG NH2
H A 0077 GLU OE1 8.524 H A 0084 ARG NH1
H A 0077 GLU OE1 10.15 H A 0084 ARG NH2
H A 0077 GLU OE2 7.139 H A 0084 ARG NH1
H A 0077 GLU OE2 8.740 H A 0084 ARG NH2
C A 0088 GLU OE1 5.695 C A 0087 LYS NZ
C A 0088 GLU OE2 7.670 C A 0087 LYS NZ
C A 0089 ASP OD1 10.94 C A 0087 LYS NZ
C A 0089 ASP OD2 11.14 C A 0087 LYS NZ
CHARGE_REPU 2.00 12.00 178
C A 0005 ASP OD1 9.052 H A 0009 GLU OE1
C A 0005 ASP OD1 9.453 H A 0009 GLU OE2
C A 0005 ASP OD2 9.080 H A 0009 GLU OE1
C A 0005 ASP OD2 9.050 H A 0009 GLU OE2
C A 0005 ASP OD2 10.56 C A 0067 GLU OE1
C A 0005 ASP OD2 10.52 C A 0067 GLU OE2
H A 0009 GLU OE2 10.30 C A 0067 GLU OE1
H A 0009 GLU OE2 11.82 C A 0067 GLU OE2
H A 0009 GLU OE1 11.48 C A 0088 GLU OE1
H A 0009 GLU OE2 11.79 C A 0088 GLU OE1
H A 0016 GLU OE1 8.289 H A 0017 GLU OE1
H A 0016 GLU OE1 7.444 H A 0017 GLU OE2
H A 0016 GLU OE2 6.309 H A 0017 GLU OE1
H A 0016 GLU OE2 5.388 H A 0017 GLU OE2
H A 0017 GLU OE1 10.20 H A 0021 GLU OE1
H A 0017 GLU OE1 9.369 H A 0021 GLU OE2
H A 0017 GLU OE2 9.675 H A 0021 GLU OE1
H A 0017 GLU OE2 8.863 H A 0021 GLU OE2
H A 0027 ASP OD1 8.211 C A 0030 ASP OD1
H A 0027 ASP OD1 6.581 C A 0030 ASP OD2
H A 0027 ASP OD2 8.824 C A 0030 ASP OD1
H A 0027 ASP OD2 6.929 C A 0030 ASP OD2
H A 0027 ASP OD1 11.66 C A 0032 ASP OD1
H A 0027 ASP OD1 11.51 C A 0032 ASP OD2
H A 0027 ASP OD2 11.15 C A 0032 ASP OD1
H A 0027 ASP OD2 11.39 C A 0032 ASP OD2
H A 0027 ASP OD1 10.33 E A 0036 ASP OD1
H A 0027 ASP OD1 11.94 E A 0036 ASP OD2
H A 0027 ASP OD2 10.95 E A 0036 ASP OD1
H A 0027 ASP OD1 10.92 C A 0041 GLU OE1
H A 0027 ASP OD1 11.86 C A 0041 GLU OE2
H A 0027 ASP OD2 11.25 C A 0041 GLU OE1
C A 0030 ASP OD1 5.947 C A 0032 ASP OD1
C A 0030 ASP OD1 4.776 C A 0032 ASP OD2
C A 0030 ASP OD2 5.813 C A 0032 ASP OD1
C A 0030 ASP OD2 5.121 C A 0032 ASP OD2
C A 0030 ASP OD1 6.474 E A 0036 ASP OD1
C A 0030 ASP OD1 6.613 E A 0036 ASP OD2
C A 0030 ASP OD2 6.124 E A 0036 ASP OD1
C A 0030 ASP OD2 6.956 E A 0036 ASP OD2
C A 0030 ASP OD1 3.033 C A 0041 GLU OE1
C A 0030 ASP OD1 3.665 C A 0041 GLU OE2
C A 0030 ASP OD2 4.723 C A 0041 GLU OE1
C A 0030 ASP OD2 5.582 C A 0041 GLU OE2
C A 0030 ASP OD1 11.12 E A 0074 ASP OD1
C A 0030 ASP OD1 9.999 E A 0074 ASP OD2
C A 0030 ASP OD2 11.38 E A 0074 ASP OD1
C A 0030 ASP OD2 10.47 E A 0074 ASP OD2
C A 0032 ASP OD1 8.207 E A 0036 ASP OD1
C A 0032 ASP OD1 8.287 E A 0036 ASP OD2
C A 0032 ASP OD2 6.559 E A 0036 ASP OD1
C A 0032 ASP OD2 6.305 E A 0036 ASP OD2
C A 0032 ASP OD1 4.923 C A 0041 GLU OE1
C A 0032 ASP OD1 6.001 C A 0041 GLU OE2
C A 0032 ASP OD2 3.866 C A 0041 GLU OE1
C A 0032 ASP OD2 4.246 C A 0041 GLU OE2
C A 0032 ASP OD2 11.75 E A 0074 ASP OD2
E A 0036 ASP OD1 8.173 C A 0041 GLU OE1
E A 0036 ASP OD1 7.261 C A 0041 GLU OE2
E A 0036 ASP OD2 7.673 C A 0041 GLU OE1
E A 0036 ASP OD2 6.264 C A 0041 GLU OE2
E A 0036 ASP OD2 10.89 C A 0066 ASP OD1
E A 0036 ASP OD1 11.69 C A 0068 ASP OD2
E A 0036 ASP OD2 11.33 C A 0068 ASP OD1
E A 0036 ASP OD2 10.63 C A 0068 ASP OD2
E A 0036 ASP OD1 7.731 E A 0074 ASP OD1
E A 0036 ASP OD1 6.356 E A 0074 ASP OD2
E A 0036 ASP OD2 7.734 E A 0074 ASP OD1
E A 0036 ASP OD2 5.902 E A 0074 ASP OD2
E A 0036 ASP OD1 9.527 H A 0076 GLU OE1
E A 0036 ASP OD1 9.141 H A 0076 GLU OE2
E A 0036 ASP OD2 9.966 H A 0076 GLU OE1
E A 0036 ASP OD2 10.05 H A 0076 GLU OE2
E A 0036 ASP OD1 10.79 H A 0077 GLU OE1
E A 0036 ASP OD2 10.08 H A 0077 GLU OE1
E A 0036 ASP OD2 11.27 H A 0077 GLU OE2
C A 0040 LYS NZ 9.019 H A 0055 LYS NZ
C A 0041 GLU OE2 11.98 C A 0066 ASP OD1
C A 0041 GLU OE1 11.75 E A 0074 ASP OD2
C A 0041 GLU OE2 11.78 E A 0074 ASP OD1
C A 0041 GLU OE2 10.15 E A 0074 ASP OD2
H A 0056 GLU OE1 10.27 H A 0057 GLU OE1
H A 0056 GLU OE1 10.98 H A 0057 GLU OE2
H A 0056 GLU OE2 11.32 H A 0057 GLU OE1
H A 0056 GLU OE1 7.195 H A 0059 ASP OD1
H A 0056 GLU OE1 6.243 H A 0059 ASP OD2
H A 0056 GLU OE2 9.032 H A 0059 ASP OD1
H A 0056 GLU OE2 8.261 H A 0059 ASP OD2
H A 0056 GLU OE1 11.50 H A 0063 GLU OE1
H A 0056 GLU OE1 11.75 H A 0063 GLU OE2
H A 0057 GLU OE1 11.94 H A 0059 ASP OD1
H A 0057 GLU OE1 11.74 H A 0059 ASP OD2
H A 0057 GLU OE2 11.74 H A 0064 GLU OE2
H A 0059 ASP OD1 9.361 H A 0063 GLU OE1
H A 0059 ASP OD1 9.172 H A 0063 GLU OE2
H A 0059 ASP OD2 7.655 H A 0063 GLU OE1
H A 0059 ASP OD2 7.484 H A 0063 GLU OE2
H A 0059 ASP OD1 8.857 C A 0066 ASP OD1
H A 0059 ASP OD1 7.343 C A 0066 ASP OD2
H A 0059 ASP OD2 9.349 C A 0066 ASP OD1
H A 0059 ASP OD2 7.543 C A 0066 ASP OD2
H A 0059 ASP OD1 11.70 C A 0068 ASP OD1
H A 0063 GLU OE1 6.550 H A 0064 GLU OE1
H A 0063 GLU OE1 7.657 H A 0064 GLU OE2
H A 0063 GLU OE2 8.395 H A 0064 GLU OE1
H A 0063 GLU OE2 9.699 H A 0064 GLU OE2
H A 0063 GLU OE1 9.615 C A 0066 ASP OD1
H A 0063 GLU OE1 8.045 C A 0066 ASP OD2
H A 0063 GLU OE2 9.203 C A 0066 ASP OD1
H A 0063 GLU OE2 7.400 C A 0066 ASP OD2
H A 0063 GLU OE1 9.944 C A 0067 GLU OE1
H A 0063 GLU OE1 10.20 C A 0067 GLU OE2
H A 0063 GLU OE2 9.703 C A 0067 GLU OE1
H A 0063 GLU OE2 9.577 C A 0067 GLU OE2
H A 0063 GLU OE1 11.30 C A 0068 ASP OD1
H A 0063 GLU OE2 10.60 C A 0068 ASP OD1
H A 0063 GLU OE1 11.23 H A 0077 GLU OE2
H A 0063 GLU OE2 11.18 H A 0077 GLU OE2
H A 0064 GLU OE1 11.67 C A 0066 ASP OD2
H A 0064 GLU OE1 9.428 C A 0067 GLU OE1
H A 0064 GLU OE1 10.62 C A 0067 GLU OE2
H A 0064 GLU OE2 11.30 C A 0067 GLU OE1
H A 0064 GLU OE1 11.88 H A 0077 GLU OE2
C A 0066 ASP OD1 10.09 C A 0067 GLU OE1
C A 0066 ASP OD1 11.01 C A 0067 GLU OE2
C A 0066 ASP OD2 10.19 C A 0067 GLU OE1
C A 0066 ASP OD2 10.81 C A 0067 GLU OE2
C A 0066 ASP OD1 3.139 C A 0068 ASP OD1
C A 0066 ASP OD1 4.950 C A 0068 ASP OD2
C A 0066 ASP OD2 4.540 C A 0068 ASP OD1
C A 0066 ASP OD2 6.331 C A 0068 ASP OD2
C A 0066 ASP OD1 8.166 E A 0074 ASP OD1
C A 0066 ASP OD1 7.394 E A 0074 ASP OD2
C A 0066 ASP OD2 10.29 E A 0074 ASP OD1
C A 0066 ASP OD2 9.388 E A 0074 ASP OD2
C A 0066 ASP OD1 11.26 H A 0076 GLU OE1
C A 0066 ASP OD1 4.704 H A 0077 GLU OE1
C A 0066 ASP OD1 3.569 H A 0077 GLU OE2
C A 0066 ASP OD2 6.802 H A 0077 GLU OE1
C A 0066 ASP OD2 5.510 H A 0077 GLU OE2
C A 0067 GLU OE1 8.899 C A 0068 ASP OD1
C A 0067 GLU OE1 10.20 C A 0068 ASP OD2
C A 0067 GLU OE2 9.681 C A 0068 ASP OD1
C A 0067 GLU OE2 10.81 C A 0068 ASP OD2
C A 0067 GLU OE1 10.04 H A 0077 GLU OE1
C A 0067 GLU OE1 8.929 H A 0077 GLU OE2
C A 0067 GLU OE2 11.36 H A 0077 GLU OE1
C A 0067 GLU OE2 10.37 H A 0077 GLU OE2
C A 0068 ASP OD1 6.894 E A 0074 ASP OD1
C A 0068 ASP OD1 6.620 E A 0074 ASP OD2
C A 0068 ASP OD2 6.021 E A 0074 ASP OD1
C A 0068 ASP OD2 5.740 E A 0074 ASP OD2
C A 0068 ASP OD1 9.134 H A 0076 GLU OE1
C A 0068 ASP OD1 11.06 H A 0076 GLU OE2
C A 0068 ASP OD2 7.545 H A 0076 GLU OE1
C A 0068 ASP OD2 9.584 H A 0076 GLU OE2
C A 0068 ASP OD1 3.398 H A 0077 GLU OE1
C A 0068 ASP OD1 3.385 H A 0077 GLU OE2
C A 0068 ASP OD2 3.841 H A 0077 GLU OE1
C A 0068 ASP OD2 4.899 H A 0077 GLU OE2
E A 0074 ASP OD1 3.996 H A 0076 GLU OE1
E A 0074 ASP OD1 4.993 H A 0076 GLU OE2
E A 0074 ASP OD2 5.357 H A 0076 GLU OE1
E A 0074 ASP OD2 6.348 H A 0076 GLU OE2
E A 0074 ASP OD1 4.238 H A 0077 GLU OE1
E A 0074 ASP OD1 6.264 H A 0077 GLU OE2
E A 0074 ASP OD2 4.680 H A 0077 GLU OE1
E A 0074 ASP OD2 6.467 H A 0077 GLU OE2
H A 0076 GLU OE1 7.184 H A 0077 GLU OE1
H A 0076 GLU OE1 9.355 H A 0077 GLU OE2
H A 0076 GLU OE2 8.760 H A 0077 GLU OE1
H A 0076 GLU OE2 10.88 H A 0077 GLU OE2
H A 0084 ARG NH1 10.87 C A 0087 LYS NZ
H A 0084 ARG NH2 9.860 C A 0087 LYS NZ
C A 0088 GLU OE1 8.031 C A 0089 ASP OD1
C A 0088 GLU OE1 7.598 C A 0089 ASP OD2
C A 0088 GLU OE2 7.023 C A 0089 ASP OD1
C A 0088 GLU OE2 6.155 C A 0089 ASP OD2
HB_MM 2.00 3.20 129
C A 0002 SER N 2.269 C A 0001 ALA O
C A 0003 MET N 2.270 C A 0002 SER O
C A 0004 THR N 2.270 C A 0003 MET O
C A 0005 ASP N 2.268 C A 0004 THR O
H A 0006 GLN N 2.269 C A 0005 ASP O
H A 0007 GLN N 2.269 H A 0006 GLN O
H A 0008 ALA N 3.146 C A 0004 THR O
H A 0008 ALA N 2.268 H A 0007 GLN O
H A 0009 GLU N 3.181 C A 0005 ASP O
H A 0009 GLU N 3.015 H A 0007 GLN O
H A 0009 GLU N 2.271 H A 0008 ALA O
H A 0010 ALA N 2.947 H A 0007 GLN O
H A 0010 ALA N 2.268 H A 0009 GLU O
H A 0011 ARG N 3.151 H A 0007 GLN O
H A 0011 ARG N 2.270 H A 0010 ALA O
H A 0012 ALA N 2.270 H A 0011 ARG O
H A 0013 PHE N 2.270 H A 0012 ALA O
C A 0014 LEU N 3.187 H A 0010 ALA O
C A 0014 LEU N 2.271 H A 0013 PHE O
C A 0015 SER N 2.271 C A 0014 LEU O
H A 0016 GLU N 2.269 C A 0015 SER O
H A 0017 GLU N 2.278 H A 0016 GLU O
H A 0018 MET N 2.270 H A 0017 GLU O
H A 0019 ILE N 2.271 H A 0018 MET O
H A 0020 ALA N 3.166 H A 0016 GLU O
H A 0020 ALA N 2.268 H A 0019 ILE O
H A 0021 GLU N 2.269 H A 0020 ALA O
H A 0022 PHE N 2.268 H A 0021 GLU O
H A 0023 LYS N 3.092 H A 0019 ILE O
H A 0023 LYS N 3.102 H A 0020 ALA O
H A 0023 LYS N 2.270 H A 0022 PHE O
H A 0024 ALA N 2.268 H A 0023 LYS O
H A 0025 ALA N 2.268 H A 0024 ALA O
H A 0026 PHE N 2.815 H A 0022 PHE O
H A 0026 PHE N 2.269 H A 0025 ALA O
H A 0027 ASP N 2.269 H A 0026 PHE O
H A 0028 MET N 2.272 H A 0027 ASP O
H A 0029 PHE N 2.271 H A 0028 MET O
C A 0030 ASP N 2.270 H A 0029 PHE O
C A 0031 ALA N 2.982 H A 0027 ASP O
C A 0031 ALA N 2.271 C A 0030 ASP O
C A 0032 ASP N 2.271 C A 0031 ALA O
C A 0033 GLY N 2.269 C A 0032 ASP O
C A 0034 GLY N 2.269 C A 0033 GLY O
C A 0035 GLY N 2.269 C A 0034 GLY O
E A 0036 ASP N 2.273 C A 0035 GLY O
E A 0037 ILE N 2.272 E A 0036 ASP O
C A 0038 SER N 2.268 E A 0037 ILE O
C A 0039 THR N 2.272 C A 0038 SER O
C A 0040 LYS N 2.269 C A 0039 THR O
C A 0041 GLU N 2.268 C A 0040 LYS O
C A 0042 LEU N 2.999 C A 0040 LYS O
C A 0042 LEU N 2.270 C A 0041 GLU O
C A 0043 GLY N 2.881 C A 0040 LYS O
C A 0043 GLY N 2.269 C A 0042 LEU O
C A 0044 THR N 2.870 C A 0042 LEU O
C A 0044 THR N 2.274 C A 0043 GLY O
C A 0045 VAL N 3.148 C A 0042 LEU O
C A 0045 VAL N 2.272 C A 0044 THR O
C A 0046 MET N 3.176 C A 0044 THR O
C A 0046 MET N 2.269 C A 0045 VAL O
C A 0047 ARG N 3.160 C A 0043 GLY O
C A 0047 ARG N 3.012 C A 0044 THR O
C A 0047 ARG N 2.270 C A 0046 MET O
C A 0048 MET N 2.272 C A 0047 ARG O
C A 0049 LEU N 2.834 C A 0047 ARG O
C A 0049 LEU N 2.270 C A 0048 MET O
C A 0050 GLY N 2.267 C A 0049 LEU O
C A 0051 GLN N 2.272 C A 0050 GLY O
C A 0052 ASN N 2.270 C A 0051 GLN O
C A 0053 PRO N 2.258 C A 0052 ASN O
C A 0054 THR N 2.269 C A 0053 PRO O
H A 0055 LYS N 2.270 C A 0054 THR O
H A 0056 GLU N 2.270 H A 0055 LYS O
H A 0057 GLU N 2.269 H A 0056 GLU O
H A 0058 LEU N 3.181 C A 0054 THR O
H A 0058 LEU N 2.269 H A 0057 GLU O
H A 0059 ASP N 2.271 H A 0058 LEU O
H A 0060 ALA N 2.269 H A 0059 ASP O
H A 0061 ILE N 3.189 H A 0058 LEU O
H A 0061 ILE N 2.272 H A 0060 ALA O
H A 0062 ILE N 2.270 H A 0061 ILE O
H A 0063 GLU N 3.157 H A 0059 ASP O
H A 0063 GLU N 3.185 H A 0060 ALA O
H A 0063 GLU N 2.270 H A 0062 ILE O
H A 0064 GLU N 2.847 H A 0062 ILE O
H A 0064 GLU N 2.270 H A 0063 GLU O
C A 0065 VAL N 2.895 H A 0062 ILE O
C A 0065 VAL N 2.270 H A 0064 GLU O
C A 0066 ASP N 2.269 C A 0065 VAL O
C A 0067 GLU N 2.267 C A 0066 ASP O
C A 0068 ASP N 3.167 C A 0066 ASP O
C A 0068 ASP N 2.265 C A 0067 GLU O
C A 0069 GLY N 2.267 C A 0068 ASP O
C A 0070 SER N 2.270 C A 0069 GLY O
C A 0071 GLY N 2.969 C A 0069 GLY O
C A 0071 GLY N 2.268 C A 0070 SER O
C A 0072 THR N 2.273 C A 0071 GLY O
E A 0073 ILE N 2.269 C A 0072 THR O
E A 0074 ASP N 2.270 E A 0073 ILE O
H A 0075 PHE N 2.268 E A 0074 ASP O
H A 0076 GLU N 2.939 E A 0074 ASP O
H A 0076 GLU N 2.269 H A 0075 PHE O
H A 0077 GLU N 3.056 E A 0074 ASP O
H A 0077 GLU N 3.196 H A 0075 PHE O
H A 0077 GLU N 2.271 H A 0076 GLU O
H A 0078 PHE N 2.269 H A 0077 GLU O
H A 0079 LEU N 2.270 H A 0078 PHE O
H A 0080 VAL N 3.129 H A 0077 GLU O
H A 0080 VAL N 2.269 H A 0079 LEU O
H A 0081 MET N 2.270 H A 0080 VAL O
H A 0082 MET N 2.271 H A 0081 MET O
H A 0083 VAL N 3.134 H A 0079 LEU O
H A 0083 VAL N 3.163 H A 0081 MET O
H A 0083 VAL N 2.270 H A 0082 MET O
H A 0084 ARG N 3.148 H A 0080 VAL O
H A 0084 ARG N 3.033 H A 0081 MET O
H A 0084 ARG N 2.270 H A 0083 VAL O
H A 0085 GLN N 2.270 H A 0084 ARG O
H A 0086 MET N 2.986 H A 0083 VAL O
H A 0086 MET N 2.270 H A 0085 GLN O
C A 0087 LYS N 3.171 H A 0083 VAL O
C A 0087 LYS N 3.137 H A 0085 GLN O
C A 0087 LYS N 2.270 H A 0086 MET O
C A 0088 GLU N 3.185 H A 0086 MET O
C A 0088 GLU N 2.268 C A 0087 LYS O
C A 0089 ASP N 2.686 C A 0087 LYS O
C A 0089 ASP N 2.270 C A 0088 GLU O
C A 0090 ALA N 2.270 C A 0089 ASP O
HB_MS 2.00 3.20 6
C A 0034 GLY N 3.052 C A 0030 ASP OD2
C A 0039 THR N 2.960 C A 0038 SER OG
C A 0069 GLY N 3.045 C A 0068 ASP OD1
C A 0070 SER N 3.143 C A 0068 ASP OD2
C A 0071 GLY N 3.100 C A 0066 ASP OD1
C A 0071 GLY N 2.928 C A 0070 SER OG
HB_SS 2.00 3.20 3
C A 0047 ARG NH1 3.193 C A 0052 ASN OD1
C A 0068 ASP OD1 3.134 C A 0070 SER OG
C A 0068 ASP OD2 2.699 C A 0070 SER OG
AROMATIC 0.00 8.00 1
H A 0026 PHE 4.588 H A 0075 PHE