Complet list of 1gks con file
Complete list of 1gks.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 315
C A 0001 ASP C 2.464 H A 0002 GLY CA
C A 0001 ASP C 2.975 H A 0002 GLY C
C A 0001 ASP CG 3.657 H A 0003 GLU CB
H A 0002 GLY C 2.445 H A 0003 GLU CA
H A 0002 GLY C 2.979 H A 0003 GLU C
H A 0002 GLY C 3.729 H A 0003 GLU CB
H A 0002 GLY C 3.702 H A 0073 TYR CB
H A 0002 GLY C 3.781 H A 0073 TYR CG
H A 0003 GLU C 2.449 H A 0004 SER CA
H A 0003 GLU C 2.937 H A 0004 SER C
H A 0003 GLU C 3.728 H A 0004 SER CB
H A 0003 GLU CG 3.517 H A 0007 ILE CD1
H A 0003 GLU CA 3.707 H A 0073 TYR CG
H A 0003 GLU CA 3.706 H A 0073 TYR CD1
H A 0003 GLU CB 3.696 H A 0073 TYR CD1
H A 0003 GLU CB 3.497 H A 0073 TYR CE1
H A 0003 GLU CG 3.657 H A 0073 TYR CE1
H A 0003 GLU CG 3.616 H A 0073 TYR CZ
H A 0004 SER C 2.458 H A 0005 ILE CA
H A 0004 SER C 2.949 H A 0005 ILE C
H A 0004 SER C 3.714 H A 0005 ILE CB
H A 0005 ILE C 2.468 H A 0006 TYR CA
H A 0005 ILE C 3.017 H A 0006 TYR C
H A 0005 ILE C 3.729 H A 0006 TYR CB
H A 0005 ILE CA 3.798 C A 0009 GLY CA
H A 0005 ILE CG2 3.528 C A 0010 THR CG2
H A 0005 ILE CD1 3.794 H A 0069 LYS CB
H A 0006 TYR C 2.438 H A 0007 ILE CA
H A 0006 TYR C 3.116 H A 0007 ILE C
H A 0006 TYR C 3.732 H A 0007 ILE CB
H A 0006 TYR CD1 3.724 H A 0007 ILE CG1
H A 0006 TYR CD2 3.728 C A 0014 CYS CB
H A 0006 TYR CE2 3.737 C A 0014 CYS CB
H A 0006 TYR CZ 3.681 H A 0015 SER CA
H A 0006 TYR CZ 3.621 C A 0028 LEU CD1
H A 0006 TYR CB 3.575 H A 0073 TYR CD2
H A 0006 TYR CG 3.687 H A 0073 TYR CD2
H A 0006 TYR CG 3.716 H A 0073 TYR CE2
H A 0006 TYR CD1 3.651 H A 0073 TYR CE2
H A 0006 TYR CD2 3.365 H A 0074 MET CG
H A 0006 TYR CE2 3.637 H A 0074 MET CG
H A 0007 ILE C 2.450 C A 0008 ASN CA
H A 0007 ILE C 3.678 C A 0008 ASN C
H A 0007 ILE C 3.315 C A 0008 ASN CB
C A 0008 ASN C 2.440 C A 0009 GLY CA
C A 0008 ASN C 3.283 C A 0009 GLY C
C A 0009 GLY C 2.474 C A 0010 THR CA
C A 0009 GLY C 3.582 C A 0010 THR C
C A 0009 GLY C 3.375 C A 0010 THR CB
C A 0009 GLY C 3.488 C A 0010 THR CG2
C A 0010 THR C 2.467 C A 0011 ALA CA
C A 0010 THR C 3.631 C A 0011 ALA C
C A 0010 THR C 3.318 C A 0011 ALA CB
C A 0010 THR C 3.584 C A 0012 PRO C
C A 0011 ALA CA 2.999 C A 0012 PRO CA
C A 0011 ALA CA 3.155 C A 0012 PRO C
C A 0011 ALA C 2.507 C A 0012 PRO CA
C A 0011 ALA C 3.091 C A 0012 PRO C
C A 0011 ALA C 3.697 C A 0012 PRO CB
C A 0011 ALA C 3.640 C A 0012 PRO CG
C A 0011 ALA C 2.455 C A 0012 PRO CD
C A 0012 PRO C 2.466 C A 0013 THR CA
C A 0012 PRO C 3.097 C A 0013 THR C
C A 0012 PRO C 3.690 C A 0013 THR CB
C A 0013 THR C 2.460 C A 0014 CYS CA
C A 0013 THR C 3.002 C A 0014 CYS C
C A 0013 THR C 3.756 C A 0014 CYS CB
C A 0014 CYS C 2.496 H A 0015 SER CA
C A 0014 CYS C 2.967 H A 0015 SER C
C A 0014 CYS C 3.691 H A 0015 SER CB
H A 0015 SER C 2.476 H A 0016 SER CA
H A 0015 SER C 2.993 H A 0016 SER C
H A 0015 SER C 3.690 H A 0016 SER CB
H A 0016 SER C 2.452 H A 0017 CYS CA
H A 0016 SER C 3.398 H A 0017 CYS C
H A 0016 SER C 3.588 H A 0017 CYS CB
H A 0017 CYS C 2.460 H A 0018 HIS CA
H A 0017 CYS C 3.164 H A 0018 HIS C
H A 0017 CYS C 3.698 H A 0018 HIS CB
H A 0017 CYS CA 3.671 H A 0022 VAL CG2
H A 0018 HIS C 2.432 C A 0019 ASP CA
H A 0018 HIS C 3.012 C A 0019 ASP C
H A 0018 HIS C 3.709 C A 0019 ASP CB
H A 0018 HIS CE1 3.777 C A 0026 PRO CD
H A 0018 HIS CG 3.455 H A 0074 MET CE
H A 0018 HIS CD2 3.713 H A 0074 MET CE
H A 0018 HIS CE1 3.487 H A 0074 MET CE
C A 0019 ASP C 2.473 C A 0020 ARG CA
C A 0019 ASP C 3.362 C A 0020 ARG C
C A 0019 ASP C 3.613 C A 0020 ARG CB
C A 0020 ARG C 2.467 C A 0021 GLY CA
C A 0020 ARG C 3.270 C A 0021 GLY C
C A 0021 GLY C 2.458 H A 0022 VAL CA
C A 0021 GLY C 2.941 H A 0022 VAL C
C A 0021 GLY C 3.741 H A 0022 VAL CB
C A 0021 GLY CA 3.547 C A 0027 GLU CG
C A 0021 GLY CA 3.800 C A 0027 GLU CD
H A 0022 VAL C 2.475 H A 0023 ALA CA
H A 0022 VAL C 3.009 H A 0023 ALA C
H A 0022 VAL C 3.128 H A 0023 ALA CB
H A 0023 ALA C 2.445 H A 0024 GLY CA
H A 0023 ALA C 3.161 H A 0024 GLY C
H A 0023 ALA CB 3.580 C A 0054 ALA CB
H A 0024 GLY C 2.441 C A 0025 ALA CA
H A 0024 GLY C 2.920 C A 0025 ALA C
H A 0024 GLY C 3.724 C A 0025 ALA CB
C A 0025 ALA CA 2.975 C A 0026 PRO CD
C A 0025 ALA C 2.447 C A 0026 PRO CA
C A 0025 ALA C 2.974 C A 0026 PRO C
C A 0025 ALA C 3.666 C A 0026 PRO CB
C A 0025 ALA C 3.665 C A 0026 PRO CG
C A 0025 ALA C 2.500 C A 0026 PRO CD
C A 0025 ALA CB 3.768 C A 0026 PRO CD
C A 0026 PRO C 2.447 C A 0027 GLU CA
C A 0026 PRO C 3.241 C A 0027 GLU C
C A 0026 PRO C 3.663 C A 0027 GLU CB
C A 0026 PRO CA 3.742 H A 0033 ASP CB
C A 0026 PRO CB 3.631 H A 0033 ASP CB
C A 0026 PRO CB 3.666 H A 0034 TRP CE2
C A 0026 PRO CG 3.793 H A 0034 TRP CH2
C A 0027 GLU CA 3.800 C A 0028 LEU CA
C A 0027 GLU C 2.450 C A 0028 LEU CA
C A 0027 GLU C 3.042 C A 0028 LEU C
C A 0027 GLU C 3.711 C A 0028 LEU CB
C A 0028 LEU C 2.490 C A 0029 ASN CA
C A 0028 LEU C 2.937 C A 0029 ASN C
C A 0028 LEU C 3.318 C A 0029 ASN CB
C A 0028 LEU C 3.235 C A 0029 ASN CG
C A 0028 LEU CD2 3.737 H A 0074 MET CA
C A 0029 ASN C 2.485 C A 0030 ALA CA
C A 0029 ASN C 3.630 C A 0030 ALA C
C A 0029 ASN C 3.340 C A 0030 ALA CB
C A 0029 ASN C 3.604 H A 0031 PRO CD
C A 0030 ALA CA 2.960 H A 0031 PRO CD
C A 0030 ALA C 2.484 H A 0031 PRO CA
C A 0030 ALA C 3.003 H A 0031 PRO C
C A 0030 ALA C 3.694 H A 0031 PRO CB
C A 0030 ALA C 3.625 H A 0031 PRO CG
C A 0030 ALA C 2.492 H A 0031 PRO CD
C A 0030 ALA CB 3.579 H A 0033 ASP CG
H A 0031 PRO C 2.470 H A 0032 GLU CA
H A 0031 PRO C 2.981 H A 0032 GLU C
H A 0031 PRO C 3.728 H A 0032 GLU CB
H A 0032 GLU C 2.464 H A 0033 ASP CA
H A 0032 GLU C 3.092 H A 0033 ASP C
H A 0032 GLU C 3.742 H A 0033 ASP CB
H A 0033 ASP C 2.470 H A 0034 TRP CA
H A 0033 ASP C 3.435 H A 0034 TRP C
H A 0033 ASP C 3.565 H A 0034 TRP CB
H A 0033 ASP C 3.719 H A 0034 TRP CG
H A 0034 TRP C 2.491 H A 0035 ALA CA
H A 0034 TRP C 2.971 H A 0035 ALA C
H A 0034 TRP C 3.701 H A 0035 ALA CB
H A 0034 TRP CH2 3.758 H A 0074 MET CE
H A 0034 TRP CZ3 3.779 H A 0075 LEU CD1
H A 0034 TRP CG 3.458 C A 0078 LEU CD1
H A 0034 TRP CD1 3.376 C A 0078 LEU CD1
H A 0034 TRP CD1 3.399 C A 0078 LEU CD2
H A 0035 ALA C 2.465 C A 0036 ASP CA
H A 0035 ALA C 3.199 C A 0036 ASP C
H A 0035 ALA C 3.707 C A 0036 ASP CB
C A 0036 ASP C 2.456 C A 0037 ARG CA
C A 0036 ASP C 3.153 C A 0037 ARG C
C A 0036 ASP C 3.705 C A 0037 ARG CB
C A 0037 ARG CA 2.996 C A 0038 PRO CD
C A 0037 ARG C 2.466 C A 0038 PRO CA
C A 0037 ARG C 3.003 C A 0038 PRO C
C A 0037 ARG C 3.697 C A 0038 PRO CB
C A 0037 ARG C 3.645 C A 0038 PRO CG
C A 0037 ARG C 2.509 C A 0038 PRO CD
C A 0037 ARG CB 3.678 C A 0038 PRO CD
C A 0038 PRO C 2.488 C A 0039 SER CA
C A 0038 PRO C 3.082 C A 0039 SER C
C A 0038 PRO C 3.706 C A 0039 SER CB
C A 0039 SER C 2.462 C A 0040 SER CA
C A 0039 SER C 2.951 C A 0040 SER C
C A 0039 SER C 3.684 C A 0040 SER CB
C A 0040 SER C 2.477 H A 0041 VAL CA
C A 0040 SER C 2.957 H A 0041 VAL C
C A 0040 SER C 3.737 H A 0041 VAL CB
H A 0041 VAL C 2.479 H A 0042 ASP CA
H A 0041 VAL C 3.085 H A 0042 ASP C
H A 0041 VAL C 3.722 H A 0042 ASP CB
H A 0042 ASP C 2.461 H A 0043 GLU CA
H A 0042 ASP C 3.242 H A 0043 GLU C
H A 0042 ASP C 3.674 H A 0043 GLU CB
H A 0042 ASP C 3.685 H A 0045 VAL CG1
H A 0043 GLU C 2.465 H A 0044 LEU CA
H A 0043 GLU C 2.971 H A 0044 LEU C
H A 0043 GLU C 3.691 H A 0044 LEU CB
H A 0044 LEU C 2.431 H A 0045 VAL CA
H A 0044 LEU C 3.007 H A 0045 VAL C
H A 0044 LEU C 3.722 H A 0045 VAL CB
H A 0044 LEU CD1 3.695 H A 0071 ILE CG2
H A 0045 VAL C 2.438 H A 0046 GLU CA
H A 0045 VAL C 2.993 H A 0046 GLU C
H A 0045 VAL C 3.729 H A 0046 GLU CB
H A 0045 VAL CG1 3.509 H A 0064 ARG CZ
H A 0045 VAL CG2 3.604 H A 0064 ARG CG
H A 0045 VAL CG2 3.599 H A 0067 LEU CB
H A 0045 VAL CG2 3.758 H A 0067 LEU CD1
H A 0045 VAL CA 3.616 H A 0071 ILE CD1
H A 0046 GLU C 2.451 H A 0047 SER CA
H A 0046 GLU C 2.933 H A 0047 SER C
H A 0046 GLU C 3.678 H A 0047 SER CB
H A 0047 SER C 2.445 H A 0048 THR CA
H A 0047 SER C 3.034 H A 0048 THR C
H A 0047 SER C 3.719 H A 0048 THR CB
H A 0048 THR C 2.434 H A 0049 LEU CA
H A 0048 THR C 2.995 H A 0049 LEU C
H A 0048 THR C 3.738 H A 0049 LEU CB
H A 0048 THR CA 3.713 C A 0055 MET CE
H A 0048 THR CG2 3.775 C A 0058 TYR CD2
H A 0048 THR CG2 3.758 H A 0067 LEU CD2
H A 0049 LEU C 2.464 H A 0050 ALA CA
H A 0049 LEU C 3.161 H A 0050 ALA C
H A 0049 LEU C 3.701 H A 0050 ALA CB
H A 0049 LEU CD2 3.737 C A 0059 ASP CA
H A 0049 LEU CG 3.380 H A 0067 LEU CD1
H A 0049 LEU CD2 3.282 H A 0067 LEU CD1
H A 0050 ALA C 2.467 C A 0051 GLY CA
H A 0050 ALA C 3.332 C A 0051 GLY C
H A 0050 ALA C 3.704 C A 0057 ALA CA
H A 0050 ALA C 3.784 C A 0057 ALA CB
C A 0051 GLY C 2.454 C A 0052 LYS CA
C A 0051 GLY C 3.681 C A 0052 LYS C
C A 0051 GLY C 3.188 C A 0052 LYS CB
C A 0051 GLY CA 3.734 C A 0056 PRO C
C A 0052 LYS C 2.437 C A 0053 GLY CA
C A 0052 LYS C 2.953 C A 0053 GLY C
C A 0053 GLY C 2.448 C A 0054 ALA CA
C A 0053 GLY C 3.175 C A 0054 ALA C
C A 0053 GLY C 3.687 C A 0054 ALA CB
C A 0054 ALA C 2.457 C A 0055 MET CA
C A 0054 ALA C 3.070 C A 0055 MET C
C A 0054 ALA C 3.717 C A 0055 MET CB
C A 0055 MET CA 2.996 C A 0056 PRO CD
C A 0055 MET C 2.453 C A 0056 PRO CA
C A 0055 MET C 3.060 C A 0056 PRO C
C A 0055 MET C 3.687 C A 0056 PRO CB
C A 0055 MET C 3.646 C A 0056 PRO CG
C A 0055 MET C 2.517 C A 0056 PRO CD
C A 0056 PRO C 2.435 C A 0057 ALA CA
C A 0056 PRO C 3.031 C A 0057 ALA C
C A 0056 PRO C 3.698 C A 0057 ALA CB
C A 0057 ALA C 2.465 C A 0058 TYR CA
C A 0057 ALA C 3.385 C A 0058 TYR C
C A 0057 ALA C 3.622 C A 0058 TYR CB
C A 0058 TYR C 2.470 C A 0059 ASP CA
C A 0058 TYR C 2.990 C A 0059 ASP C
C A 0058 TYR C 3.723 C A 0059 ASP CB
C A 0058 TYR C 3.732 C A 0061 ARG CZ
C A 0058 TYR CD1 3.669 C A 0062 ALA CB
C A 0059 ASP C 2.478 C A 0060 GLY CA
C A 0059 ASP C 3.488 C A 0060 GLY C
C A 0059 ASP C 3.736 C A 0061 ARG CZ
C A 0060 GLY C 2.461 C A 0061 ARG CA
C A 0060 GLY C 3.154 C A 0061 ARG C
C A 0060 GLY C 3.694 C A 0061 ARG CB
C A 0061 ARG C 2.452 C A 0062 ALA CA
C A 0061 ARG C 3.532 C A 0062 ALA C
C A 0061 ARG C 3.429 C A 0062 ALA CB
C A 0062 ALA CA 3.791 C A 0063 ASP CA
C A 0062 ALA C 2.415 C A 0063 ASP CA
C A 0062 ALA C 3.125 C A 0063 ASP C
C A 0062 ALA C 3.674 C A 0063 ASP CB
C A 0062 ALA CB 3.768 H A 0067 LEU CG
C A 0062 ALA CB 3.344 H A 0067 LEU CD2
C A 0063 ASP C 2.490 H A 0064 ARG CA
C A 0063 ASP C 2.918 H A 0064 ARG C
C A 0063 ASP C 3.684 H A 0064 ARG CB
H A 0064 ARG C 2.458 H A 0065 GLU CA
H A 0064 ARG C 3.057 H A 0065 GLU C
H A 0064 ARG C 3.721 H A 0065 GLU CB
H A 0065 GLU C 2.468 H A 0066 ASP CA
H A 0065 GLU C 2.960 H A 0066 ASP C
H A 0065 GLU C 3.746 H A 0066 ASP CB
H A 0066 ASP CA 3.779 H A 0067 LEU CA
H A 0066 ASP C 2.460 H A 0067 LEU CA
H A 0066 ASP C 2.928 H A 0067 LEU C
H A 0066 ASP C 3.703 H A 0067 LEU CB
H A 0067 LEU C 2.474 H A 0068 VAL CA
H A 0067 LEU C 2.932 H A 0068 VAL C
H A 0067 LEU C 3.740 H A 0068 VAL CB
H A 0068 VAL C 2.454 H A 0069 LYS CA
H A 0068 VAL C 3.024 H A 0069 LYS C
H A 0068 VAL C 3.719 H A 0069 LYS CB
H A 0069 LYS C 2.438 H A 0070 ALA CA
H A 0069 LYS C 3.071 H A 0070 ALA C
H A 0069 LYS C 3.705 H A 0070 ALA CB
H A 0070 ALA C 2.465 H A 0071 ILE CA
H A 0070 ALA C 3.049 H A 0071 ILE C
H A 0070 ALA C 3.718 H A 0071 ILE CB
H A 0071 ILE C 2.422 H A 0072 GLU CA
H A 0071 ILE C 2.948 H A 0072 GLU C
H A 0071 ILE C 3.731 H A 0072 GLU CB
H A 0072 GLU C 2.437 H A 0073 TYR CA
H A 0072 GLU C 2.977 H A 0073 TYR C
H A 0072 GLU C 3.733 H A 0073 TYR CB
H A 0073 TYR C 2.447 H A 0074 MET CA
H A 0073 TYR C 2.918 H A 0074 MET C
H A 0073 TYR C 3.742 H A 0074 MET CB
H A 0074 MET C 2.457 H A 0075 LEU CA
H A 0074 MET C 3.028 H A 0075 LEU C
H A 0074 MET C 3.716 H A 0075 LEU CB
H A 0075 LEU C 2.431 C A 0076 SER CA
H A 0075 LEU C 3.063 C A 0076 SER C
H A 0075 LEU C 3.719 C A 0076 SER CB
H A 0075 LEU CA 3.701 C A 0078 LEU CD1
C A 0076 SER C 2.443 C A 0077 THR CA
C A 0076 SER C 3.273 C A 0077 THR C
C A 0076 SER C 3.673 C A 0077 THR CB
C A 0077 THR C 2.457 C A 0078 LEU CA
C A 0077 THR C 3.197 C A 0078 LEU C
C A 0077 THR C 3.684 C A 0078 LEU CB
CHARGE_ATTR 2.00 12.00 77
C A 0001 ASP OD1 11.65 H A 0069 LYS NZ
C A 0001 ASP OD2 11.04 H A 0069 LYS NZ
C A 0019 ASP OD1 9.417 H A 0018 HIS ND1
C A 0019 ASP OD1 10.87 H A 0018 HIS NE2
C A 0019 ASP OD2 10.09 H A 0018 HIS ND1
C A 0019 ASP OD2 11.41 H A 0018 HIS NE2
C A 0019 ASP OD1 8.287 C A 0020 ARG NH1
C A 0019 ASP OD1 7.933 C A 0020 ARG NH2
C A 0019 ASP OD2 6.557 C A 0020 ARG NH1
C A 0019 ASP OD2 5.983 C A 0020 ARG NH2
C A 0027 GLU OE1 8.104 H A 0018 HIS ND1
C A 0027 GLU OE1 10.01 H A 0018 HIS NE2
C A 0027 GLU OE2 8.532 H A 0018 HIS ND1
C A 0027 GLU OE2 10.36 H A 0018 HIS NE2
C A 0027 GLU OE1 8.756 C A 0020 ARG NH1
C A 0027 GLU OE1 9.803 C A 0020 ARG NH2
C A 0027 GLU OE2 9.961 C A 0020 ARG NH1
C A 0027 GLU OE2 11.29 C A 0020 ARG NH2
C A 0027 GLU OE1 11.45 C A 0037 ARG NH2
C A 0027 GLU OE2 10.14 C A 0037 ARG NH2
H A 0032 GLU OE1 11.98 C A 0037 ARG NH2
H A 0033 ASP OD1 9.543 H A 0018 HIS ND1
H A 0033 ASP OD1 11.29 H A 0018 HIS NE2
H A 0033 ASP OD2 7.454 H A 0018 HIS ND1
H A 0033 ASP OD2 9.295 H A 0018 HIS NE2
H A 0033 ASP OD1 9.309 C A 0037 ARG NH1
H A 0033 ASP OD1 7.446 C A 0037 ARG NH2
H A 0033 ASP OD2 8.750 C A 0037 ARG NH1
H A 0033 ASP OD2 6.957 C A 0037 ARG NH2
H A 0033 ASP OD2 11.96 C A 0052 LYS NZ
C A 0036 ASP OD1 8.849 C A 0037 ARG NH1
C A 0036 ASP OD1 8.131 C A 0037 ARG NH2
C A 0036 ASP OD2 9.614 C A 0037 ARG NH1
C A 0036 ASP OD2 9.162 C A 0037 ARG NH2
C A 0036 ASP OD1 10.79 C A 0052 LYS NZ
C A 0036 ASP OD2 10.86 C A 0052 LYS NZ
H A 0042 ASP OD1 2.789 H A 0064 ARG NH1
H A 0042 ASP OD1 2.800 H A 0064 ARG NH2
H A 0042 ASP OD2 4.892 H A 0064 ARG NH1
H A 0042 ASP OD2 4.121 H A 0064 ARG NH2
H A 0042 ASP OD1 11.39 H A 0069 LYS NZ
H A 0043 GLU OE1 9.494 H A 0064 ARG NH1
H A 0043 GLU OE1 7.539 H A 0064 ARG NH2
H A 0043 GLU OE2 7.919 H A 0064 ARG NH1
H A 0043 GLU OE2 6.206 H A 0064 ARG NH2
H A 0046 GLU OE1 6.775 H A 0064 ARG NH1
H A 0046 GLU OE1 4.792 H A 0064 ARG NH2
H A 0046 GLU OE2 4.648 H A 0064 ARG NH1
H A 0046 GLU OE2 2.785 H A 0064 ARG NH2
C A 0059 ASP OD1 6.430 C A 0061 ARG NH1
C A 0059 ASP OD1 5.931 C A 0061 ARG NH2
C A 0059 ASP OD2 6.371 C A 0061 ARG NH1
C A 0059 ASP OD2 5.608 C A 0061 ARG NH2
C A 0059 ASP OD1 11.56 H A 0064 ARG NH1
C A 0059 ASP OD1 11.04 H A 0064 ARG NH2
C A 0063 ASP OD1 10.79 C A 0061 ARG NH1
C A 0063 ASP OD1 11.13 C A 0061 ARG NH2
C A 0063 ASP OD1 9.410 H A 0064 ARG NH1
C A 0063 ASP OD1 10.43 H A 0064 ARG NH2
C A 0063 ASP OD2 8.305 H A 0064 ARG NH1
C A 0063 ASP OD2 9.657 H A 0064 ARG NH2
C A 0063 ASP OD1 9.094 H A 0069 LYS NZ
C A 0063 ASP OD2 6.903 H A 0069 LYS NZ
H A 0065 GLU OE1 8.117 H A 0064 ARG NH1
H A 0065 GLU OE1 10.28 H A 0064 ARG NH2
H A 0065 GLU OE2 6.053 H A 0064 ARG NH1
H A 0065 GLU OE2 8.216 H A 0064 ARG NH2
H A 0065 GLU OE1 2.990 H A 0069 LYS NZ
H A 0065 GLU OE2 4.682 H A 0069 LYS NZ
H A 0066 ASP OD2 10.73 C A 0061 ARG NH1
H A 0066 ASP OD2 11.23 C A 0061 ARG NH2
H A 0066 ASP OD1 6.476 H A 0069 LYS NZ
H A 0066 ASP OD2 7.889 H A 0069 LYS NZ
H A 0072 GLU OE1 10.11 H A 0064 ARG NH1
H A 0072 GLU OE1 11.62 H A 0064 ARG NH2
H A 0072 GLU OE1 5.758 H A 0069 LYS NZ
H A 0072 GLU OE2 7.274 H A 0069 LYS NZ
CHARGE_REPU 2.00 12.00 101
C A 0001 ASP OD1 4.897 H A 0003 GLU OE1
C A 0001 ASP OD1 6.203 H A 0003 GLU OE2
C A 0001 ASP OD2 5.148 H A 0003 GLU OE1
C A 0001 ASP OD2 5.782 H A 0003 GLU OE2
C A 0001 ASP OD1 11.74 H A 0066 ASP OD1
C A 0001 ASP OD1 10.86 H A 0072 GLU OE1
C A 0001 ASP OD1 10.12 H A 0072 GLU OE2
C A 0001 ASP OD2 9.278 H A 0072 GLU OE1
C A 0001 ASP OD2 8.279 H A 0072 GLU OE2
H A 0003 GLU OE1 11.03 C A 0019 ASP OD1
H A 0003 GLU OE2 9.558 C A 0019 ASP OD1
H A 0003 GLU OE2 11.66 C A 0019 ASP OD2
H A 0018 HIS ND1 10.27 C A 0020 ARG NH1
H A 0018 HIS ND1 11.90 C A 0020 ARG NH2
H A 0018 HIS NE2 10.64 C A 0020 ARG NH1
H A 0018 HIS ND1 8.356 C A 0037 ARG NH1
H A 0018 HIS ND1 7.979 C A 0037 ARG NH2
H A 0018 HIS NE2 8.170 C A 0037 ARG NH1
H A 0018 HIS NE2 8.239 C A 0037 ARG NH2
H A 0018 HIS ND1 11.13 C A 0052 LYS NZ
H A 0018 HIS NE2 10.39 C A 0052 LYS NZ
C A 0019 ASP OD1 7.244 C A 0027 GLU OE1
C A 0019 ASP OD1 9.438 C A 0027 GLU OE2
C A 0019 ASP OD2 6.934 C A 0027 GLU OE1
C A 0019 ASP OD2 9.099 C A 0027 GLU OE2
C A 0019 ASP OD1 11.72 H A 0033 ASP OD2
C A 0027 GLU OE1 10.63 H A 0032 GLU OE1
C A 0027 GLU OE2 9.591 H A 0032 GLU OE1
C A 0027 GLU OE2 11.65 H A 0032 GLU OE2
C A 0027 GLU OE1 7.510 H A 0033 ASP OD1
C A 0027 GLU OE1 5.897 H A 0033 ASP OD2
C A 0027 GLU OE2 5.911 H A 0033 ASP OD1
C A 0027 GLU OE2 4.606 H A 0033 ASP OD2
H A 0032 GLU OE1 5.282 H A 0033 ASP OD1
H A 0032 GLU OE1 6.812 H A 0033 ASP OD2
H A 0032 GLU OE2 7.250 H A 0033 ASP OD1
H A 0032 GLU OE2 8.955 H A 0033 ASP OD2
H A 0032 GLU OE1 8.840 C A 0036 ASP OD1
H A 0032 GLU OE1 10.93 C A 0036 ASP OD2
H A 0032 GLU OE2 9.209 C A 0036 ASP OD1
H A 0032 GLU OE2 11.09 C A 0036 ASP OD2
H A 0033 ASP OD1 7.806 C A 0036 ASP OD1
H A 0033 ASP OD1 9.869 C A 0036 ASP OD2
H A 0033 ASP OD2 9.352 C A 0036 ASP OD1
H A 0033 ASP OD2 11.38 C A 0036 ASP OD2
C A 0037 ARG NH1 3.652 C A 0052 LYS NZ
C A 0037 ARG NH2 5.013 C A 0052 LYS NZ
H A 0042 ASP OD1 7.559 H A 0043 GLU OE1
H A 0042 ASP OD1 5.683 H A 0043 GLU OE2
H A 0042 ASP OD2 6.019 H A 0043 GLU OE1
H A 0042 ASP OD2 3.896 H A 0043 GLU OE2
H A 0042 ASP OD1 7.356 H A 0046 GLU OE1
H A 0042 ASP OD1 5.517 H A 0046 GLU OE2
H A 0042 ASP OD2 7.715 H A 0046 GLU OE1
H A 0042 ASP OD2 6.354 H A 0046 GLU OE2
H A 0042 ASP OD1 11.05 C A 0063 ASP OD2
H A 0042 ASP OD1 10.17 H A 0065 GLU OE1
H A 0042 ASP OD1 8.276 H A 0065 GLU OE2
H A 0042 ASP OD2 10.46 H A 0065 GLU OE2
H A 0042 ASP OD1 10.63 H A 0072 GLU OE1
H A 0043 GLU OE1 7.634 H A 0046 GLU OE1
H A 0043 GLU OE1 7.682 H A 0046 GLU OE2
H A 0043 GLU OE2 7.506 H A 0046 GLU OE1
H A 0043 GLU OE2 7.069 H A 0046 GLU OE2
H A 0046 GLU OE1 8.514 C A 0059 ASP OD1
H A 0046 GLU OE1 9.004 C A 0059 ASP OD2
H A 0046 GLU OE2 8.903 C A 0059 ASP OD1
H A 0046 GLU OE2 9.882 C A 0059 ASP OD2
H A 0046 GLU OE1 11.20 C A 0063 ASP OD1
H A 0046 GLU OE1 11.29 C A 0063 ASP OD2
H A 0046 GLU OE2 10.05 C A 0063 ASP OD1
H A 0046 GLU OE2 9.767 C A 0063 ASP OD2
H A 0046 GLU OE1 11.79 H A 0065 GLU OE2
H A 0046 GLU OE2 11.79 H A 0065 GLU OE1
H A 0046 GLU OE2 9.749 H A 0065 GLU OE2
C A 0059 ASP OD1 7.297 C A 0063 ASP OD1
C A 0059 ASP OD1 8.854 C A 0063 ASP OD2
C A 0059 ASP OD2 9.499 C A 0063 ASP OD1
C A 0059 ASP OD2 11.08 C A 0063 ASP OD2
C A 0059 ASP OD1 10.34 H A 0066 ASP OD2
C A 0063 ASP OD1 7.747 H A 0065 GLU OE1
C A 0063 ASP OD1 6.964 H A 0065 GLU OE2
C A 0063 ASP OD2 5.690 H A 0065 GLU OE1
C A 0063 ASP OD2 5.062 H A 0065 GLU OE2
C A 0063 ASP OD1 7.055 H A 0066 ASP OD1
C A 0063 ASP OD1 5.708 H A 0066 ASP OD2
C A 0063 ASP OD2 5.878 H A 0066 ASP OD1
C A 0063 ASP OD2 5.087 H A 0066 ASP OD2
C A 0063 ASP OD2 11.30 H A 0072 GLU OE1
H A 0064 ARG NH1 9.586 H A 0069 LYS NZ
H A 0064 ARG NH2 11.57 H A 0069 LYS NZ
H A 0065 GLU OE1 7.691 H A 0066 ASP OD1
H A 0065 GLU OE1 8.547 H A 0066 ASP OD2
H A 0065 GLU OE2 8.573 H A 0066 ASP OD1
H A 0065 GLU OE2 8.905 H A 0066 ASP OD2
H A 0065 GLU OE1 7.724 H A 0072 GLU OE1
H A 0065 GLU OE1 9.407 H A 0072 GLU OE2
H A 0065 GLU OE2 8.337 H A 0072 GLU OE1
H A 0065 GLU OE2 10.26 H A 0072 GLU OE2
H A 0066 ASP OD1 10.56 H A 0072 GLU OE1
H A 0066 ASP OD2 11.79 H A 0072 GLU OE1
HB_MM 2.00 3.20 149
H A 0002 GLY N 2.264 C A 0001 ASP O
H A 0003 GLU N 2.255 H A 0002 GLY O
H A 0004 SER N 2.965 C A 0001 ASP O
H A 0004 SER N 2.244 H A 0003 GLU O
H A 0005 ILE N 2.975 C A 0001 ASP O
H A 0005 ILE N 2.257 H A 0004 SER O
H A 0006 TYR N 2.846 H A 0002 GLY O
H A 0006 TYR N 3.186 H A 0003 GLU O
H A 0006 TYR N 2.252 H A 0005 ILE O
H A 0007 ILE N 2.806 H A 0003 GLU O
H A 0007 ILE N 2.250 H A 0006 TYR O
C A 0008 ASN N 2.844 H A 0004 SER O
C A 0008 ASN N 2.254 H A 0007 ILE O
C A 0009 GLY N 2.840 H A 0004 SER O
C A 0009 GLY N 2.945 H A 0005 ILE O
C A 0009 GLY N 2.232 C A 0008 ASN O
C A 0010 THR N 3.144 C A 0008 ASN O
C A 0010 THR N 2.252 C A 0009 GLY O
C A 0011 ALA N 2.254 C A 0010 THR O
C A 0011 ALA N 3.118 C A 0012 PRO O
C A 0012 PRO N 2.244 C A 0011 ALA O
C A 0013 THR N 2.254 C A 0012 PRO O
C A 0014 CYS N 2.250 C A 0013 THR O
H A 0015 SER N 2.267 C A 0014 CYS O
H A 0016 SER N 2.259 H A 0015 SER O
H A 0017 CYS N 2.913 C A 0014 CYS O
H A 0017 CYS N 2.848 H A 0015 SER O
H A 0017 CYS N 2.258 H A 0016 SER O
H A 0018 HIS N 2.881 C A 0014 CYS O
H A 0018 HIS N 2.252 H A 0017 CYS O
C A 0019 ASP N 2.810 H A 0015 SER O
C A 0019 ASP N 2.241 H A 0018 HIS O
C A 0020 ARG N 2.255 C A 0019 ASP O
C A 0021 GLY N 2.745 H A 0017 CYS O
C A 0021 GLY N 2.245 C A 0020 ARG O
H A 0022 VAL N 2.900 H A 0017 CYS O
H A 0022 VAL N 2.252 C A 0021 GLY O
H A 0023 ALA N 2.259 H A 0022 VAL O
H A 0024 GLY N 2.875 C A 0021 GLY O
H A 0024 GLY N 3.023 H A 0022 VAL O
H A 0024 GLY N 2.245 H A 0023 ALA O
C A 0025 ALA N 2.839 H A 0022 VAL O
C A 0025 ALA N 2.249 H A 0024 GLY O
C A 0026 PRO N 2.251 C A 0025 ALA O
C A 0027 GLU N 3.111 C A 0025 ALA O
C A 0027 GLU N 2.250 C A 0026 PRO O
C A 0028 LEU N 2.252 C A 0027 GLU O
C A 0029 ASN N 2.263 C A 0028 LEU O
C A 0030 ALA N 2.969 C A 0028 LEU O
C A 0030 ALA N 2.256 C A 0029 ASN O
H A 0031 PRO N 2.251 C A 0030 ALA O
H A 0032 GLU N 2.955 C A 0030 ALA O
H A 0032 GLU N 2.249 H A 0031 PRO O
H A 0033 ASP N 2.792 C A 0030 ALA O
H A 0033 ASP N 3.112 H A 0031 PRO O
H A 0033 ASP N 2.247 H A 0032 GLU O
H A 0034 TRP N 2.830 H A 0031 PRO O
H A 0034 TRP N 2.256 H A 0033 ASP O
H A 0035 ALA N 2.808 H A 0031 PRO O
H A 0035 ALA N 2.255 H A 0034 TRP O
C A 0036 ASP N 3.029 H A 0034 TRP O
C A 0036 ASP N 2.248 H A 0035 ALA O
C A 0037 ARG N 2.776 H A 0034 TRP O
C A 0037 ARG N 2.239 C A 0036 ASP O
C A 0038 PRO N 2.254 C A 0037 ARG O
C A 0039 SER N 2.649 C A 0037 ARG O
C A 0039 SER N 2.242 C A 0038 PRO O
C A 0040 SER N 2.956 C A 0038 PRO O
C A 0040 SER N 2.247 C A 0039 SER O
H A 0041 VAL N 3.034 C A 0039 SER O
H A 0041 VAL N 2.252 C A 0040 SER O
H A 0042 ASP N 3.108 C A 0040 SER O
H A 0042 ASP N 2.257 H A 0041 VAL O
H A 0043 GLU N 2.778 C A 0040 SER O
H A 0043 GLU N 3.106 H A 0041 VAL O
H A 0043 GLU N 2.248 H A 0042 ASP O
H A 0044 LEU N 2.922 C A 0040 SER O
H A 0044 LEU N 3.191 H A 0041 VAL O
H A 0044 LEU N 2.253 H A 0043 GLU O
H A 0045 VAL N 2.857 H A 0041 VAL O
H A 0045 VAL N 3.076 H A 0043 GLU O
H A 0045 VAL N 2.245 H A 0044 LEU O
H A 0046 GLU N 2.799 H A 0043 GLU O
H A 0046 GLU N 2.241 H A 0045 VAL O
H A 0047 SER N 3.177 H A 0044 LEU O
H A 0047 SER N 2.255 H A 0046 GLU O
H A 0048 THR N 2.863 H A 0044 LEU O
H A 0048 THR N 2.245 H A 0047 SER O
H A 0049 LEU N 2.786 H A 0045 VAL O
H A 0049 LEU N 3.091 H A 0046 GLU O
H A 0049 LEU N 2.239 H A 0048 THR O
H A 0050 ALA N 2.863 H A 0046 GLU O
H A 0050 ALA N 2.262 H A 0049 LEU O
C A 0051 GLY N 2.737 H A 0047 SER O
C A 0051 GLY N 2.249 H A 0050 ALA O
C A 0052 LYS N 2.246 C A 0051 GLY O
C A 0052 LYS N 2.910 C A 0055 MET O
C A 0053 GLY N 2.249 C A 0052 LYS O
C A 0054 ALA N 3.031 C A 0052 LYS O
C A 0054 ALA N 2.250 C A 0053 GLY O
C A 0055 MET N 2.801 C A 0052 LYS O
C A 0055 MET N 2.247 C A 0054 ALA O
C A 0056 PRO N 2.262 C A 0055 MET O
C A 0057 ALA N 2.246 C A 0056 PRO O
C A 0058 TYR N 2.730 H A 0049 LEU O
C A 0058 TYR N 2.249 C A 0057 ALA O
C A 0059 ASP N 3.067 H A 0049 LEU O
C A 0059 ASP N 2.259 C A 0058 TYR O
C A 0060 GLY N 2.807 C A 0058 TYR O
C A 0060 GLY N 2.258 C A 0059 ASP O
C A 0061 ARG N 2.751 C A 0058 TYR O
C A 0061 ARG N 2.244 C A 0060 GLY O
C A 0062 ALA N 2.994 C A 0058 TYR O
C A 0062 ALA N 2.249 C A 0061 ARG O
C A 0063 ASP N 2.253 C A 0062 ALA O
H A 0064 ARG N 2.253 C A 0063 ASP O
H A 0065 GLU N 2.890 C A 0063 ASP O
H A 0065 GLU N 2.237 H A 0064 ARG O
H A 0066 ASP N 2.679 C A 0063 ASP O
H A 0066 ASP N 2.253 H A 0065 GLU O
H A 0067 LEU N 2.912 C A 0063 ASP O
H A 0067 LEU N 2.260 H A 0066 ASP O
H A 0068 VAL N 2.773 H A 0064 ARG O
H A 0068 VAL N 2.246 H A 0067 LEU O
H A 0069 LYS N 3.028 H A 0065 GLU O
H A 0069 LYS N 3.092 H A 0066 ASP O
H A 0069 LYS N 2.254 H A 0068 VAL O
H A 0070 ALA N 2.934 H A 0066 ASP O
H A 0070 ALA N 2.881 H A 0067 LEU O
H A 0070 ALA N 2.241 H A 0069 LYS O
H A 0071 ILE N 2.757 H A 0067 LEU O
H A 0071 ILE N 3.142 H A 0068 VAL O
H A 0071 ILE N 2.238 H A 0070 ALA O
H A 0072 GLU N 2.840 H A 0068 VAL O
H A 0072 GLU N 2.240 H A 0071 ILE O
H A 0073 TYR N 2.250 H A 0072 GLU O
H A 0074 MET N 2.800 H A 0070 ALA O
H A 0074 MET N 3.027 H A 0071 ILE O
H A 0074 MET N 2.243 H A 0073 TYR O
H A 0075 LEU N 2.858 H A 0071 ILE O
H A 0075 LEU N 2.251 H A 0074 MET O
C A 0076 SER N 2.794 H A 0072 GLU O
C A 0076 SER N 3.173 H A 0074 MET O
C A 0076 SER N 2.235 H A 0075 LEU O
C A 0077 THR N 3.017 H A 0074 MET O
C A 0077 THR N 2.933 H A 0075 LEU O
C A 0077 THR N 2.249 C A 0076 SER O
C A 0078 LEU N 2.929 H A 0075 LEU O
C A 0078 LEU N 2.255 C A 0077 THR O
HB_MS 2.00 3.20 26
C A 0001 ASP N 2.689 H A 0004 SER OG
H A 0002 GLY N 3.124 C A 0001 ASP OD2
H A 0003 GLU N 2.809 C A 0001 ASP OD2
H A 0004 SER N 3.108 C A 0001 ASP OD1
H A 0005 ILE O 2.762 C A 0010 THR OG1
H A 0007 ILE O 2.739 H A 0015 SER OG
C A 0012 PRO O 2.743 C A 0058 TYR OH
H A 0016 SER N 2.926 H A 0015 SER OG
H A 0016 SER O 2.778 C A 0020 ARG NH1
C A 0026 PRO O 2.777 H A 0018 HIS ND1
C A 0027 GLU N 2.817 H A 0033 ASP OD2
C A 0027 GLU O 2.804 H A 0034 TRP NE1
C A 0028 LEU O 3.013 C A 0029 ASN ND2
C A 0029 ASN N 2.849 C A 0077 THR OG1
C A 0037 ARG O 2.934 C A 0039 SER OG
H A 0042 ASP O 2.981 H A 0064 ARG NH2
H A 0044 LEU O 2.787 H A 0048 THR OG1
C A 0057 ALA O 2.781 C A 0061 ARG NH2
C A 0059 ASP O 2.832 C A 0061 ARG NH1
C A 0059 ASP O 2.733 C A 0061 ARG NH2
C A 0063 ASP N 2.823 H A 0066 ASP OD2
H A 0064 ARG N 3.089 C A 0063 ASP OD2
H A 0065 GLU N 2.769 C A 0063 ASP OD2
H A 0065 GLU O 3.173 H A 0069 LYS NZ
H A 0073 TYR O 2.717 C A 0076 SER OG
H A 0074 MET O 2.746 C A 0077 THR OG1
HB_SS 2.00 3.20 2
C A 0001 ASP OD1 2.778 H A 0004 SER OG
H A 0003 GLU OE2 2.707 H A 0073 TYR OH