Complet list of 1wr0 con file
Complete list of 1wr0.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 GLY C 2.493 C A 0002 SER CA
C A 0001 GLY C 3.165 C A 0002 SER C
C A 0001 GLY C 3.745 C A 0002 SER CB
C A 0002 SER C 2.536 C A 0003 ASP CA
C A 0002 SER C 3.068 C A 0003 ASP C
C A 0002 SER C 3.339 C A 0003 ASP CB
C A 0003 ASP C 2.542 C A 0004 HIS CA
C A 0003 ASP C 3.264 C A 0004 HIS C
C A 0003 ASP C 3.193 C A 0004 HIS CB
C A 0003 ASP C 3.648 C A 0004 HIS CG
C A 0004 HIS C 2.502 C A 0005 MET CA
C A 0004 HIS C 3.131 C A 0005 MET C
C A 0004 HIS C 3.739 C A 0005 MET CB
C A 0005 MET C 2.489 C A 0006 SER CA
C A 0005 MET C 3.174 C A 0006 SER C
C A 0005 MET C 3.753 C A 0006 SER CB
C A 0006 SER C 2.502 C A 0007 SER CA
C A 0006 SER C 3.705 C A 0007 SER C
C A 0006 SER C 3.406 C A 0007 SER CB
C A 0007 SER C 2.510 C A 0008 THR CA
C A 0007 SER C 3.625 C A 0008 THR C
C A 0007 SER C 3.483 C A 0008 THR CB
C A 0008 THR C 2.461 H A 0009 SER CA
C A 0008 THR C 3.136 H A 0009 SER C
C A 0008 THR C 3.717 H A 0009 SER CB
C A 0008 THR CG2 3.717 H A 0012 LEU CG
C A 0008 THR CG2 3.783 H A 0012 LEU CD2
H A 0009 SER CA 2.998 H A 0010 PRO CD
H A 0009 SER C 2.459 H A 0010 PRO CA
H A 0009 SER C 3.101 H A 0010 PRO C
H A 0009 SER C 3.677 H A 0010 PRO CB
H A 0009 SER C 3.690 H A 0010 PRO CG
H A 0009 SER C 2.515 H A 0010 PRO CD
H A 0009 SER CB 3.502 H A 0010 PRO CD
H A 0010 PRO C 2.474 H A 0011 ASN CA
H A 0010 PRO C 3.108 H A 0011 ASN C
H A 0010 PRO C 3.741 H A 0011 ASN CB
H A 0011 ASN C 2.474 H A 0012 LEU CA
H A 0011 ASN C 3.107 H A 0012 LEU C
H A 0011 ASN C 3.727 H A 0012 LEU CB
H A 0011 ASN CB 3.734 H A 0048 VAL CG2
H A 0012 LEU C 2.475 H A 0013 GLN CA
H A 0012 LEU C 3.036 H A 0013 GLN C
H A 0012 LEU C 3.750 H A 0013 GLN CB
H A 0012 LEU CD1 3.745 H A 0045 PHE CD1
H A 0012 LEU CD1 3.799 H A 0045 PHE CE1
H A 0012 LEU CD1 3.793 H A 0062 ILE CG2
H A 0013 GLN C 2.500 H A 0014 LYS CA
H A 0013 GLN C 3.046 H A 0014 LYS C
H A 0013 GLN C 3.768 H A 0014 LYS CB
H A 0014 LYS C 2.474 H A 0015 ALA CA
H A 0014 LYS C 3.010 H A 0015 ALA C
H A 0014 LYS C 3.712 H A 0015 ALA CB
H A 0014 LYS CD 3.590 H A 0018 LEU CD2
H A 0014 LYS CE 3.785 H A 0018 LEU CD2
H A 0014 LYS CD 3.560 H A 0044 TYR CE2
H A 0014 LYS CE 3.595 H A 0044 TYR CE2
H A 0015 ALA C 2.480 H A 0016 ILE CA
H A 0015 ALA C 3.161 H A 0016 ILE C
H A 0015 ALA C 3.772 H A 0016 ILE CB
H A 0015 ALA CB 3.551 H A 0044 TYR CB
H A 0015 ALA C 3.437 H A 0045 PHE CZ
H A 0015 ALA CB 3.456 H A 0045 PHE CD1
H A 0015 ALA CB 3.188 H A 0045 PHE CE1
H A 0015 ALA CB 3.467 H A 0045 PHE CZ
H A 0016 ILE C 2.469 H A 0017 ASP CA
H A 0016 ILE C 3.029 H A 0017 ASP C
H A 0016 ILE C 3.727 H A 0017 ASP CB
H A 0016 ILE CG1 3.732 H A 0045 PHE CE1
H A 0017 ASP C 2.470 H A 0018 LEU CA
H A 0017 ASP C 3.242 H A 0018 LEU C
H A 0017 ASP C 3.649 H A 0018 LEU CB
H A 0018 LEU C 2.489 H A 0019 ALA CA
H A 0018 LEU C 3.080 H A 0019 ALA C
H A 0018 LEU C 3.734 H A 0019 ALA CB
H A 0018 LEU CD1 3.662 H A 0037 LEU CA
H A 0018 LEU CD1 3.752 H A 0037 LEU C
H A 0018 LEU CD2 3.785 H A 0040 HIS C
H A 0018 LEU CD2 3.575 H A 0044 TYR CD2
H A 0018 LEU CD2 3.671 H A 0044 TYR CE2
H A 0019 ALA C 2.487 H A 0020 SER CA
H A 0019 ALA C 3.090 H A 0020 SER C
H A 0019 ALA C 3.738 H A 0020 SER CB
H A 0019 ALA CB 3.764 H A 0069 TYR CZ
H A 0020 SER C 2.485 H A 0021 LYS CA
H A 0020 SER C 3.166 H A 0021 LYS C
H A 0020 SER C 3.737 H A 0021 LYS CB
H A 0021 LYS C 2.471 H A 0022 ALA CA
H A 0021 LYS C 3.010 H A 0022 ALA C
H A 0021 LYS C 3.722 H A 0022 ALA CB
H A 0021 LYS C 3.566 H A 0037 LEU CD1
H A 0022 ALA C 2.480 H A 0023 ALA CA
H A 0022 ALA C 3.088 H A 0023 ALA C
H A 0022 ALA C 3.718 H A 0023 ALA CB
H A 0022 ALA CA 3.462 H A 0037 LEU CB
H A 0022 ALA CA 3.639 H A 0037 LEU CD1
H A 0022 ALA CB 3.711 H A 0037 LEU C
H A 0022 ALA CB 3.335 H A 0037 LEU CB
H A 0022 ALA C 3.481 H A 0038 TYR CE2
H A 0022 ALA CB 3.551 H A 0038 TYR CD2
H A 0022 ALA CB 3.620 H A 0038 TYR CE2
H A 0023 ALA C 2.479 H A 0024 GLN CA
H A 0023 ALA C 3.088 H A 0024 GLN C
H A 0023 ALA C 3.764 H A 0024 GLN CB
H A 0024 GLN C 2.480 H A 0025 GLU CA
H A 0024 GLN C 3.145 H A 0025 GLU C
H A 0024 GLN C 3.739 H A 0025 GLU CB
H A 0025 GLU C 2.496 H A 0026 ASP CA
H A 0025 GLU C 3.094 H A 0026 ASP C
H A 0025 GLU C 3.716 H A 0026 ASP CB
H A 0026 ASP C 2.473 H A 0027 LYS CA
H A 0026 ASP C 3.163 H A 0027 LYS C
H A 0026 ASP C 3.750 H A 0027 LYS CB
H A 0026 ASP CG 3.768 H A 0027 LYS CD
H A 0026 ASP CG 3.491 H A 0027 LYS CE
H A 0026 ASP CB 3.747 H A 0038 TYR CE2
H A 0026 ASP CG 3.780 H A 0076 LEU CD1
H A 0027 LYS C 2.478 H A 0028 ALA CA
H A 0027 LYS C 3.256 H A 0028 ALA C
H A 0027 LYS C 3.686 H A 0028 ALA CB
H A 0028 ALA C 2.533 C A 0029 GLY CA
H A 0028 ALA C 3.145 C A 0029 GLY C
C A 0029 GLY C 2.467 C A 0030 ASN CA
C A 0029 GLY C 3.025 C A 0030 ASN C
C A 0029 GLY C 3.746 C A 0030 ASN CB
C A 0029 GLY CA 3.654 C A 0031 TYR CD1
C A 0029 GLY CA 3.357 C A 0031 TYR CE1
C A 0029 GLY CA 3.687 C A 0031 TYR CE2
C A 0029 GLY CA 3.394 C A 0031 TYR CZ
C A 0030 ASN C 2.528 C A 0031 TYR CA
C A 0030 ASN C 2.963 C A 0031 TYR C
C A 0030 ASN C 3.372 C A 0031 TYR CB
C A 0031 TYR C 2.486 C A 0032 GLU CA
C A 0031 TYR C 3.602 C A 0032 GLU C
C A 0031 TYR C 3.387 C A 0032 GLU CB
C A 0031 TYR CD1 3.367 H A 0076 LEU CD1
C A 0031 TYR CE1 3.595 H A 0076 LEU CD1
C A 0031 TYR CG 3.724 C A 0079 TYR CD1
C A 0031 TYR CD2 3.781 C A 0079 TYR CB
C A 0031 TYR CD2 3.778 C A 0079 TYR CG
C A 0031 TYR CD2 3.442 C A 0079 TYR CD1
C A 0031 TYR CE2 3.745 C A 0079 TYR CG
C A 0031 TYR CE2 3.498 C A 0079 TYR CD1
C A 0031 TYR CZ 3.754 C A 0079 TYR CE1
C A 0031 TYR C 3.400 C A 0080 LEU CD2
C A 0032 GLU C 2.482 H A 0033 GLU CA
C A 0032 GLU C 3.254 H A 0033 GLU C
C A 0032 GLU C 3.684 H A 0033 GLU CB
H A 0033 GLU C 2.502 H A 0034 ALA CA
H A 0033 GLU C 3.030 H A 0034 ALA C
H A 0033 GLU C 3.725 H A 0034 ALA CB
H A 0033 GLU CG 3.756 H A 0037 LEU CG
H A 0033 GLU CG 3.752 H A 0037 LEU CD1
H A 0034 ALA C 2.495 H A 0035 LEU CA
H A 0034 ALA C 3.015 H A 0035 LEU C
H A 0034 ALA C 3.742 H A 0035 LEU CB
H A 0035 LEU C 2.459 H A 0036 GLN CA
H A 0035 LEU C 3.126 H A 0036 GLN C
H A 0035 LEU C 3.750 H A 0036 GLN CB
H A 0035 LEU CD2 3.527 H A 0076 LEU CB
H A 0035 LEU CB 3.644 C A 0080 LEU CD2
H A 0036 GLN C 2.456 H A 0037 LEU CA
H A 0036 GLN C 3.107 H A 0037 LEU C
H A 0036 GLN C 3.729 H A 0037 LEU CB
H A 0036 GLN CA 3.680 H A 0039 GLN CG
H A 0036 GLN C 3.737 H A 0040 HIS CD2
H A 0037 LEU C 2.459 H A 0038 TYR CA
H A 0037 LEU C 3.068 H A 0038 TYR C
H A 0037 LEU C 3.725 H A 0038 TYR CB
H A 0038 TYR C 2.456 H A 0039 GLN CA
H A 0038 TYR C 3.165 H A 0039 GLN C
H A 0038 TYR C 3.744 H A 0039 GLN CB
H A 0038 TYR CD1 3.799 H A 0069 TYR CA
H A 0039 GLN C 2.460 H A 0040 HIS CA
H A 0039 GLN C 3.105 H A 0040 HIS C
H A 0039 GLN C 3.750 H A 0040 HIS CB
H A 0040 HIS C 2.491 H A 0041 ALA CA
H A 0040 HIS C 3.013 H A 0041 ALA C
H A 0040 HIS C 3.701 H A 0041 ALA CB
H A 0041 ALA C 2.471 H A 0042 VAL CA
H A 0041 ALA C 3.163 H A 0042 VAL C
H A 0041 ALA C 3.790 H A 0042 VAL CB
H A 0041 ALA C 3.500 H A 0045 PHE CD2
H A 0041 ALA C 3.733 H A 0045 PHE CE2
H A 0042 VAL C 2.473 H A 0043 GLN CA
H A 0042 VAL C 3.004 H A 0043 GLN C
H A 0042 VAL C 3.758 H A 0043 GLN CB
H A 0042 VAL CA 3.779 H A 0045 PHE CD2
H A 0042 VAL CG1 3.716 H A 0066 CYS CA
H A 0042 VAL CG1 3.746 H A 0066 CYS CB
H A 0042 VAL CG1 3.606 H A 0069 TYR CB
H A 0043 GLN C 2.465 H A 0044 TYR CA
H A 0043 GLN C 3.208 H A 0044 TYR C
H A 0043 GLN C 3.710 H A 0044 TYR CB
H A 0044 TYR C 2.461 H A 0045 PHE CA
H A 0044 TYR C 3.017 H A 0045 PHE C
H A 0044 TYR C 3.771 H A 0045 PHE CB
H A 0045 PHE C 2.474 H A 0046 LEU CA
H A 0045 PHE C 3.168 H A 0046 LEU C
H A 0045 PHE C 3.731 H A 0046 LEU CB
H A 0045 PHE CB 3.658 H A 0062 ILE CD1
H A 0045 PHE CE1 3.753 H A 0065 LYS CD
H A 0045 PHE CE2 3.491 H A 0069 TYR CD2
H A 0045 PHE CE2 3.331 H A 0069 TYR CE2
H A 0046 LEU C 2.452 H A 0047 HIS CA
H A 0046 LEU C 3.096 H A 0047 HIS C
H A 0046 LEU C 3.725 H A 0047 HIS CB
H A 0047 HIS C 2.474 H A 0048 VAL CA
H A 0047 HIS C 3.152 H A 0048 VAL C
H A 0047 HIS C 3.748 H A 0048 VAL CB
H A 0047 HIS CA 3.736 H A 0051 TYR CD1
H A 0048 VAL C 2.483 H A 0049 VAL CA
H A 0048 VAL C 3.141 H A 0049 VAL C
H A 0048 VAL C 3.754 H A 0049 VAL CB
H A 0049 VAL C 2.485 H A 0050 LYS CA
H A 0049 VAL C 3.341 H A 0050 LYS C
H A 0049 VAL C 3.660 H A 0050 LYS CB
H A 0049 VAL CB 3.681 H A 0062 ILE CG1
H A 0049 VAL CB 3.730 H A 0062 ILE CD1
H A 0049 VAL CG2 3.734 H A 0062 ILE CG1
H A 0050 LYS C 2.491 H A 0051 TYR CA
H A 0050 LYS C 3.684 H A 0051 TYR C
H A 0050 LYS C 3.449 H A 0051 TYR CB
H A 0050 LYS C 3.508 H A 0051 TYR CG
H A 0050 LYS C 3.482 H A 0051 TYR CD1
H A 0050 LYS CB 3.555 H A 0051 TYR CD1
H A 0050 LYS CB 3.663 H A 0051 TYR CE1
H A 0050 LYS CD 3.756 H A 0051 TYR CE1
H A 0051 TYR C 2.509 H A 0052 GLU CA
H A 0051 TYR C 3.704 H A 0052 GLU C
H A 0051 TYR C 3.413 H A 0052 GLU CB
H A 0051 TYR C 3.382 H A 0052 GLU CG
H A 0052 GLU C 2.479 C A 0053 ALA CA
H A 0052 GLU C 3.138 C A 0053 ALA C
H A 0052 GLU C 3.690 C A 0053 ALA CB
C A 0053 ALA C 2.502 C A 0054 GLN CA
C A 0053 ALA C 3.700 C A 0054 GLN C
C A 0053 ALA C 3.286 C A 0054 GLN CB
C A 0053 ALA CB 3.722 H A 0059 LYS CE
C A 0054 GLN C 2.495 H A 0055 GLY CA
C A 0054 GLN C 3.192 H A 0055 GLY C
H A 0055 GLY C 2.524 H A 0056 ASP CA
H A 0055 GLY C 3.108 H A 0056 ASP C
H A 0055 GLY C 3.267 H A 0056 ASP CB
H A 0056 ASP C 2.502 H A 0057 LYS CA
H A 0056 ASP C 3.223 H A 0057 LYS C
H A 0056 ASP C 3.729 H A 0057 LYS CB
H A 0057 LYS C 2.492 H A 0058 ALA CA
H A 0057 LYS C 3.139 H A 0058 ALA C
H A 0057 LYS C 3.721 H A 0058 ALA CB
H A 0058 ALA C 2.514 H A 0059 LYS CA
H A 0058 ALA C 3.110 H A 0059 LYS C
H A 0058 ALA C 3.748 H A 0059 LYS CB
H A 0059 LYS C 2.498 H A 0060 GLN CA
H A 0059 LYS C 3.131 H A 0060 GLN C
H A 0059 LYS C 3.737 H A 0060 GLN CB
H A 0060 GLN C 2.489 H A 0061 SER CA
H A 0060 GLN C 3.040 H A 0061 SER C
H A 0060 GLN C 3.752 H A 0061 SER CB
H A 0061 SER C 2.444 H A 0062 ILE CA
H A 0061 SER C 3.149 H A 0062 ILE C
H A 0061 SER C 3.760 H A 0062 ILE CB
H A 0062 ILE C 2.468 H A 0063 ARG CA
H A 0062 ILE C 3.064 H A 0063 ARG C
H A 0062 ILE C 3.755 H A 0063 ARG CB
H A 0062 ILE CA 3.703 H A 0065 LYS CG
H A 0062 ILE C 3.795 H A 0065 LYS CG
H A 0063 ARG C 2.473 H A 0064 ALA CA
H A 0063 ARG C 3.122 H A 0064 ALA C
H A 0063 ARG C 3.710 H A 0064 ALA CB
H A 0064 ALA C 2.490 H A 0065 LYS CA
H A 0064 ALA C 3.217 H A 0065 LYS C
H A 0064 ALA C 3.757 H A 0065 LYS CB
H A 0065 LYS C 2.462 H A 0066 CYS CA
H A 0065 LYS C 3.060 H A 0066 CYS C
H A 0065 LYS C 3.754 H A 0066 CYS CB
H A 0065 LYS C 3.679 H A 0069 TYR CD2
H A 0065 LYS CB 3.615 H A 0069 TYR CE2
H A 0066 CYS C 2.485 H A 0067 THR CA
H A 0066 CYS C 3.094 H A 0067 THR C
H A 0066 CYS C 3.756 H A 0067 THR CB
H A 0067 THR C 2.461 H A 0068 GLU CA
H A 0067 THR C 3.197 H A 0068 GLU C
H A 0067 THR C 3.720 H A 0068 GLU CB
H A 0068 GLU C 2.456 H A 0069 TYR CA
H A 0068 GLU C 3.107 H A 0069 TYR C
H A 0068 GLU C 3.728 H A 0069 TYR CB
H A 0069 TYR C 2.469 H A 0070 LEU CA
H A 0069 TYR C 3.216 H A 0070 LEU C
H A 0069 TYR C 3.708 H A 0070 LEU CB
H A 0070 LEU C 2.483 H A 0071 ASP CA
H A 0070 LEU C 3.300 H A 0071 ASP C
H A 0070 LEU C 3.669 H A 0071 ASP CB
H A 0071 ASP C 2.492 H A 0072 ARG CA
H A 0071 ASP C 3.157 H A 0072 ARG C
H A 0071 ASP C 3.755 H A 0072 ARG CB
H A 0072 ARG C 2.461 H A 0073 ALA CA
H A 0072 ARG C 3.077 H A 0073 ALA C
H A 0072 ARG C 3.711 H A 0073 ALA CB
H A 0073 ALA C 2.472 H A 0074 GLU CA
H A 0073 ALA C 3.124 H A 0074 GLU C
H A 0073 ALA C 3.756 H A 0074 GLU CB
H A 0074 GLU C 2.490 H A 0075 LYS CA
H A 0074 GLU C 3.203 H A 0075 LYS C
H A 0074 GLU C 3.723 H A 0075 LYS CB
H A 0074 GLU CD 3.778 H A 0077 LYS CE
H A 0075 LYS C 2.466 H A 0076 LEU CA
H A 0075 LYS C 3.060 H A 0076 LEU C
H A 0075 LYS C 3.775 H A 0076 LEU CB
H A 0076 LEU C 2.500 H A 0077 LYS CA
H A 0076 LEU C 3.127 H A 0077 LYS C
H A 0076 LEU C 3.773 H A 0077 LYS CB
H A 0076 LEU CA 3.747 C A 0079 TYR CE1
H A 0077 LYS C 2.476 C A 0078 GLU CA
H A 0077 LYS C 3.122 C A 0078 GLU C
H A 0077 LYS C 3.723 C A 0078 GLU CB
C A 0078 GLU C 2.489 C A 0079 TYR CA
C A 0078 GLU C 3.639 C A 0079 TYR C
C A 0078 GLU C 3.454 C A 0079 TYR CB
C A 0078 GLU C 3.696 C A 0079 TYR CG
C A 0078 GLU CG 3.781 C A 0079 TYR CD2
C A 0078 GLU CD 3.766 C A 0079 TYR CE2
C A 0079 TYR C 2.510 C A 0080 LEU CA
C A 0079 TYR C 3.003 C A 0080 LEU C
C A 0079 TYR C 3.732 C A 0080 LEU CB
C A 0080 LEU C 2.528 C A 0081 LYS CA
C A 0080 LEU C 3.131 C A 0081 LYS C
C A 0080 LEU C 3.753 C A 0081 LYS CB
CHARGE_ATTR 2.00 12.00 71
C A 0003 ASP OD1 6.175 C A 0004 HIS ND1
C A 0003 ASP OD1 7.531 C A 0004 HIS NE2
C A 0003 ASP OD2 7.539 C A 0004 HIS ND1
C A 0003 ASP OD2 8.953 C A 0004 HIS NE2
H A 0017 ASP OD1 10.41 C A 0004 HIS ND1
H A 0017 ASP OD1 11.78 C A 0004 HIS NE2
H A 0017 ASP OD1 7.507 H A 0014 LYS NZ
H A 0017 ASP OD2 5.464 H A 0014 LYS NZ
H A 0017 ASP OD1 5.959 H A 0021 LYS NZ
H A 0017 ASP OD2 5.060 H A 0021 LYS NZ
H A 0025 GLU OE1 8.710 H A 0021 LYS NZ
H A 0025 GLU OE2 6.855 H A 0021 LYS NZ
H A 0026 ASP OD1 2.952 H A 0027 LYS NZ
H A 0026 ASP OD2 2.798 H A 0027 LYS NZ
H A 0026 ASP OD1 8.786 H A 0072 ARG NH1
H A 0026 ASP OD1 10.36 H A 0072 ARG NH2
H A 0026 ASP OD2 8.097 H A 0072 ARG NH1
H A 0026 ASP OD2 9.548 H A 0072 ARG NH2
H A 0026 ASP OD1 10.01 H A 0075 LYS NZ
H A 0026 ASP OD2 10.87 H A 0075 LYS NZ
C A 0032 GLU OE1 10.02 C A 0081 LYS NZ
C A 0032 GLU OE2 7.839 C A 0081 LYS NZ
H A 0033 GLU OE1 10.36 H A 0014 LYS NZ
H A 0033 GLU OE2 10.24 H A 0014 LYS NZ
H A 0033 GLU OE1 7.783 H A 0021 LYS NZ
H A 0033 GLU OE2 6.133 H A 0021 LYS NZ
H A 0033 GLU OE1 10.33 H A 0040 HIS ND1
H A 0033 GLU OE1 8.564 H A 0040 HIS NE2
H A 0033 GLU OE2 11.17 H A 0040 HIS ND1
H A 0033 GLU OE2 9.683 H A 0040 HIS NE2
H A 0052 GLU OE1 4.650 H A 0047 HIS ND1
H A 0052 GLU OE1 6.085 H A 0047 HIS NE2
H A 0052 GLU OE2 5.517 H A 0047 HIS ND1
H A 0052 GLU OE2 6.551 H A 0047 HIS NE2
H A 0052 GLU OE1 11.56 H A 0059 LYS NZ
H A 0056 ASP OD1 9.109 H A 0057 LYS NZ
H A 0056 ASP OD2 7.985 H A 0057 LYS NZ
H A 0056 ASP OD1 7.716 H A 0059 LYS NZ
H A 0056 ASP OD2 9.026 H A 0059 LYS NZ
H A 0068 GLU OE1 10.61 H A 0027 LYS NZ
H A 0068 GLU OE2 8.600 H A 0027 LYS NZ
H A 0068 GLU OE1 8.071 H A 0065 LYS NZ
H A 0068 GLU OE2 10.16 H A 0065 LYS NZ
H A 0068 GLU OE1 9.567 H A 0072 ARG NH1
H A 0068 GLU OE1 9.873 H A 0072 ARG NH2
H A 0068 GLU OE2 7.593 H A 0072 ARG NH1
H A 0068 GLU OE2 8.190 H A 0072 ARG NH2
H A 0071 ASP OD2 10.32 H A 0027 LYS NZ
H A 0071 ASP OD1 6.466 H A 0072 ARG NH1
H A 0071 ASP OD1 4.343 H A 0072 ARG NH2
H A 0071 ASP OD2 4.583 H A 0072 ARG NH1
H A 0071 ASP OD2 2.751 H A 0072 ARG NH2
H A 0071 ASP OD1 10.70 H A 0075 LYS NZ
H A 0071 ASP OD2 9.986 H A 0075 LYS NZ
H A 0071 ASP OD1 10.27 H A 0077 LYS NZ
H A 0071 ASP OD2 10.98 H A 0077 LYS NZ
H A 0074 GLU OE1 11.16 H A 0072 ARG NH1
H A 0074 GLU OE1 9.775 H A 0072 ARG NH2
H A 0074 GLU OE2 10.96 H A 0072 ARG NH1
H A 0074 GLU OE2 9.678 H A 0072 ARG NH2
H A 0074 GLU OE1 10.69 H A 0075 LYS NZ
H A 0074 GLU OE2 11.64 H A 0075 LYS NZ
H A 0074 GLU OE1 2.814 H A 0077 LYS NZ
H A 0074 GLU OE2 3.060 H A 0077 LYS NZ
C A 0078 GLU OE1 11.61 H A 0027 LYS NZ
C A 0078 GLU OE2 11.93 H A 0027 LYS NZ
C A 0078 GLU OE1 10.15 H A 0072 ARG NH1
C A 0078 GLU OE1 10.56 H A 0072 ARG NH2
C A 0078 GLU OE2 11.58 H A 0072 ARG NH1
C A 0078 GLU OE1 2.773 H A 0075 LYS NZ
C A 0078 GLU OE2 4.496 H A 0075 LYS NZ
CHARGE_REPU 2.00 12.00 55
H A 0014 LYS NZ 8.193 H A 0021 LYS NZ
H A 0014 LYS NZ 9.081 H A 0040 HIS ND1
H A 0014 LYS NZ 9.272 H A 0040 HIS NE2
H A 0017 ASP OD2 11.46 H A 0025 GLU OE2
H A 0017 ASP OD1 11.47 H A 0033 GLU OE2
H A 0017 ASP OD2 11.18 H A 0033 GLU OE1
H A 0017 ASP OD2 9.997 H A 0033 GLU OE2
H A 0025 GLU OE1 9.664 H A 0026 ASP OD1
H A 0025 GLU OE1 10.21 H A 0026 ASP OD2
H A 0025 GLU OE2 10.51 H A 0026 ASP OD1
H A 0025 GLU OE2 10.77 H A 0026 ASP OD2
H A 0025 GLU OE1 5.889 C A 0032 GLU OE1
H A 0025 GLU OE1 7.494 C A 0032 GLU OE2
H A 0025 GLU OE2 7.577 C A 0032 GLU OE1
H A 0025 GLU OE2 9.386 C A 0032 GLU OE2
H A 0025 GLU OE1 6.119 H A 0033 GLU OE1
H A 0025 GLU OE1 4.715 H A 0033 GLU OE2
H A 0025 GLU OE2 6.328 H A 0033 GLU OE1
H A 0025 GLU OE2 4.418 H A 0033 GLU OE2
H A 0026 ASP OD1 10.57 H A 0068 GLU OE2
H A 0026 ASP OD2 10.38 H A 0068 GLU OE1
H A 0026 ASP OD2 8.625 H A 0068 GLU OE2
H A 0026 ASP OD1 11.42 H A 0071 ASP OD2
H A 0026 ASP OD2 10.24 H A 0071 ASP OD2
H A 0026 ASP OD1 11.11 C A 0078 GLU OE1
H A 0026 ASP OD1 11.24 C A 0078 GLU OE2
H A 0027 LYS NZ 7.061 H A 0072 ARG NH1
H A 0027 LYS NZ 8.972 H A 0072 ARG NH2
H A 0027 LYS NZ 9.940 H A 0075 LYS NZ
C A 0032 GLU OE1 6.925 H A 0033 GLU OE1
C A 0032 GLU OE1 7.392 H A 0033 GLU OE2
C A 0032 GLU OE2 8.848 H A 0033 GLU OE1
C A 0032 GLU OE2 9.406 H A 0033 GLU OE2
H A 0047 HIS ND1 9.374 H A 0050 LYS NZ
H A 0047 HIS NE2 10.53 H A 0050 LYS NZ
H A 0047 HIS ND1 11.63 H A 0059 LYS NZ
H A 0050 LYS NZ 8.784 H A 0059 LYS NZ
H A 0050 LYS NZ 6.619 H A 0063 ARG NH1
H A 0050 LYS NZ 8.036 H A 0063 ARG NH2
H A 0057 LYS NZ 9.781 H A 0059 LYS NZ
H A 0057 LYS NZ 9.162 H A 0063 ARG NH1
H A 0057 LYS NZ 8.537 H A 0063 ARG NH2
H A 0059 LYS NZ 6.534 H A 0063 ARG NH1
H A 0059 LYS NZ 8.204 H A 0063 ARG NH2
H A 0068 GLU OE1 10.59 H A 0071 ASP OD1
H A 0068 GLU OE1 8.965 H A 0071 ASP OD2
H A 0068 GLU OE2 9.625 H A 0071 ASP OD1
H A 0068 GLU OE2 7.733 H A 0071 ASP OD2
H A 0071 ASP OD1 7.758 H A 0074 GLU OE1
H A 0071 ASP OD1 7.518 H A 0074 GLU OE2
H A 0071 ASP OD2 8.706 H A 0074 GLU OE1
H A 0071 ASP OD2 8.234 H A 0074 GLU OE2
H A 0072 ARG NH1 7.465 H A 0075 LYS NZ
H A 0072 ARG NH2 7.906 H A 0075 LYS NZ
H A 0074 GLU OE1 11.47 C A 0078 GLU OE1
HB_MM 2.00 3.20 141
C A 0002 SER N 2.252 C A 0001 GLY O
C A 0003 ASP N 2.258 C A 0002 SER O
C A 0004 HIS N 3.133 C A 0002 SER O
C A 0004 HIS N 2.251 C A 0003 ASP O
C A 0005 MET N 3.035 C A 0002 SER O
C A 0005 MET N 2.874 C A 0003 ASP O
C A 0005 MET N 2.233 C A 0004 HIS O
C A 0006 SER N 3.171 C A 0004 HIS O
C A 0006 SER N 2.243 C A 0005 MET O
C A 0007 SER N 2.974 C A 0004 HIS O
C A 0007 SER N 2.255 C A 0006 SER O
C A 0008 THR N 2.837 C A 0004 HIS O
C A 0008 THR N 2.245 C A 0007 SER O
H A 0009 SER N 2.244 C A 0008 THR O
H A 0010 PRO N 2.247 H A 0009 SER O
H A 0011 ASN N 2.248 H A 0010 PRO O
H A 0012 LEU N 2.248 H A 0011 ASN O
H A 0013 GLN N 2.954 H A 0009 SER O
H A 0013 GLN N 2.245 H A 0012 LEU O
H A 0014 LYS N 2.996 H A 0010 PRO O
H A 0014 LYS N 2.256 H A 0013 GLN O
H A 0015 ALA N 2.915 H A 0011 ASN O
H A 0015 ALA N 2.246 H A 0014 LYS O
H A 0016 ILE N 3.180 H A 0012 LEU O
H A 0016 ILE N 2.251 H A 0015 ALA O
H A 0017 ASP N 3.180 H A 0013 GLN O
H A 0017 ASP N 3.108 H A 0014 LYS O
H A 0017 ASP N 2.244 H A 0016 ILE O
H A 0018 LEU N 3.063 H A 0014 LYS O
H A 0018 LEU N 2.253 H A 0017 ASP O
H A 0019 ALA N 2.892 H A 0015 ALA O
H A 0019 ALA N 2.240 H A 0018 LEU O
H A 0020 SER N 2.889 H A 0016 ILE O
H A 0020 SER N 2.248 H A 0019 ALA O
H A 0021 LYS N 3.195 H A 0018 LEU O
H A 0021 LYS N 2.248 H A 0020 SER O
H A 0022 ALA N 2.848 H A 0018 LEU O
H A 0022 ALA N 2.239 H A 0021 LYS O
H A 0023 ALA N 2.259 H A 0022 ALA O
H A 0024 GLN N 3.146 H A 0020 SER O
H A 0024 GLN N 3.067 H A 0021 LYS O
H A 0024 GLN N 2.244 H A 0023 ALA O
H A 0025 GLU N 2.966 H A 0021 LYS O
H A 0025 GLU N 2.243 H A 0024 GLN O
H A 0026 ASP N 2.987 H A 0022 ALA O
H A 0026 ASP N 2.246 H A 0025 GLU O
H A 0027 LYS N 2.854 H A 0023 ALA O
H A 0027 LYS N 2.223 H A 0026 ASP O
H A 0028 ALA N 3.068 H A 0026 ASP O
H A 0028 ALA N 2.245 H A 0027 LYS O
C A 0029 GLY N 2.747 H A 0026 ASP O
C A 0029 GLY N 2.251 H A 0028 ALA O
C A 0030 ASN N 2.266 C A 0029 GLY O
C A 0031 TYR N 2.277 C A 0030 ASN O
C A 0032 GLU N 3.161 C A 0030 ASN O
C A 0032 GLU N 2.246 C A 0031 TYR O
H A 0033 GLU N 2.240 C A 0032 GLU O
H A 0034 ALA N 2.237 H A 0033 GLU O
H A 0035 LEU N 2.249 H A 0034 ALA O
H A 0036 GLN N 2.251 H A 0035 LEU O
H A 0037 LEU N 2.898 H A 0034 ALA O
H A 0037 LEU N 2.232 H A 0036 GLN O
H A 0038 TYR N 2.984 H A 0034 ALA O
H A 0038 TYR N 2.236 H A 0037 LEU O
H A 0039 GLN N 2.248 H A 0038 TYR O
H A 0040 HIS N 2.979 H A 0036 GLN O
H A 0040 HIS N 2.241 H A 0039 GLN O
H A 0041 ALA N 3.047 H A 0037 LEU O
H A 0041 ALA N 2.244 H A 0040 HIS O
H A 0042 VAL N 2.249 H A 0041 ALA O
H A 0043 GLN N 3.123 H A 0039 GLN O
H A 0043 GLN N 2.244 H A 0042 VAL O
H A 0044 TYR N 2.252 H A 0043 GLN O
H A 0045 PHE N 3.033 H A 0041 ALA O
H A 0045 PHE N 2.245 H A 0044 TYR O
H A 0046 LEU N 2.877 H A 0042 VAL O
H A 0046 LEU N 2.239 H A 0045 PHE O
H A 0047 HIS N 3.013 H A 0044 TYR O
H A 0047 HIS N 2.244 H A 0046 LEU O
H A 0048 VAL N 2.902 H A 0044 TYR O
H A 0048 VAL N 2.235 H A 0047 HIS O
H A 0049 VAL N 2.862 H A 0045 PHE O
H A 0049 VAL N 2.235 H A 0048 VAL O
H A 0050 LYS N 3.025 H A 0046 LEU O
H A 0050 LYS N 2.253 H A 0049 VAL O
H A 0051 TYR N 2.251 H A 0050 LYS O
H A 0052 GLU N 2.816 H A 0048 VAL O
H A 0052 GLU N 2.240 H A 0051 TYR O
C A 0053 ALA N 3.162 H A 0048 VAL O
C A 0053 ALA N 2.244 H A 0052 GLU O
C A 0054 GLN N 2.253 C A 0053 ALA O
H A 0055 GLY N 2.252 C A 0054 GLN O
H A 0056 ASP N 2.252 H A 0055 GLY O
H A 0057 LYS N 2.886 H A 0055 GLY O
H A 0057 LYS N 2.245 H A 0056 ASP O
H A 0058 ALA N 3.020 H A 0055 GLY O
H A 0058 ALA N 2.243 H A 0057 LYS O
H A 0059 LYS N 3.047 H A 0057 LYS O
H A 0059 LYS N 2.250 H A 0058 ALA O
H A 0060 GLN N 2.984 H A 0057 LYS O
H A 0060 GLN N 3.090 H A 0058 ALA O
H A 0060 GLN N 2.244 H A 0059 LYS O
H A 0061 SER N 2.951 H A 0058 ALA O
H A 0061 SER N 3.171 H A 0059 LYS O
H A 0061 SER N 2.246 H A 0060 GLN O
H A 0062 ILE N 2.249 H A 0061 SER O
H A 0063 ARG N 3.182 H A 0060 GLN O
H A 0063 ARG N 2.241 H A 0062 ILE O
H A 0064 ALA N 2.254 H A 0063 ARG O
H A 0065 LYS N 3.157 H A 0062 ILE O
H A 0065 LYS N 2.254 H A 0064 ALA O
H A 0066 CYS N 2.824 H A 0062 ILE O
H A 0066 CYS N 2.236 H A 0065 LYS O
H A 0067 THR N 2.250 H A 0066 CYS O
H A 0068 GLU N 3.020 H A 0065 LYS O
H A 0068 GLU N 2.241 H A 0067 THR O
H A 0069 TYR N 3.141 H A 0065 LYS O
H A 0069 TYR N 3.096 H A 0066 CYS O
H A 0069 TYR N 2.237 H A 0068 GLU O
H A 0070 LEU N 3.133 H A 0066 CYS O
H A 0070 LEU N 2.239 H A 0069 TYR O
H A 0071 ASP N 3.015 H A 0068 GLU O
H A 0071 ASP N 2.243 H A 0070 LEU O
H A 0072 ARG N 2.848 H A 0068 GLU O
H A 0072 ARG N 2.249 H A 0071 ASP O
H A 0073 ALA N 2.243 H A 0072 ARG O
H A 0074 GLU N 3.006 H A 0071 ASP O
H A 0074 GLU N 2.234 H A 0073 ALA O
H A 0075 LYS N 2.251 H A 0074 GLU O
H A 0076 LEU N 3.155 H A 0073 ALA O
H A 0076 LEU N 2.248 H A 0075 LYS O
H A 0077 LYS N 2.254 H A 0076 LEU O
C A 0078 GLU N 2.902 H A 0076 LEU O
C A 0078 GLU N 2.243 H A 0077 LYS O
C A 0079 TYR N 2.913 H A 0076 LEU O
C A 0079 TYR N 2.253 C A 0078 GLU O
C A 0080 LEU N 2.858 H A 0076 LEU O
C A 0080 LEU N 2.254 C A 0079 TYR O
C A 0081 LYS N 2.916 C A 0031 TYR O
C A 0081 LYS N 3.023 C A 0079 TYR O
C A 0081 LYS N 2.270 C A 0080 LEU O
HB_MS 2.00 3.20 8
C A 0001 GLY N 2.828 C A 0003 ASP OD2
C A 0003 ASP N 3.039 C A 0002 SER OG
C A 0007 SER O 2.890 C A 0054 GLN NE2
C A 0008 THR O 2.920 H A 0013 GLN NE2
H A 0012 LEU N 3.007 H A 0009 SER OG
H A 0049 VAL O 3.186 H A 0059 LYS NZ
H A 0061 SER O 2.854 H A 0065 LYS NZ
H A 0063 ARG O 2.808 H A 0067 THR OG1
HB_SS 2.00 3.20 4
H A 0025 GLU OE1 2.799 C A 0030 ASN ND2
H A 0026 ASP OD2 2.684 H A 0038 TYR OH
H A 0040 HIS ND1 2.854 H A 0043 GLN OE1
H A 0052 GLU OE1 2.813 H A 0011 ASN ND2
AROMATIC 0.00 8.00 4
H A 0027 LYS 7.544 C A 0031 TYR
H A 0014 LYS 6.015 H A 0044 TYR
H A 0027 LYS 7.034 H A 0038 TYR
H A 0065 LYS 7.662 H A 0069 TYR