Complet list of 1xbl con file
Complete list of 1xbl.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 318
C A 0002 ALA CA 3.782 C A 0003 LYS CA
C A 0002 ALA C 2.462 C A 0003 LYS CA
C A 0002 ALA C 3.044 C A 0003 LYS C
C A 0002 ALA C 3.089 C A 0003 LYS CB
C A 0002 ALA C 3.402 C A 0003 LYS CG
C A 0003 LYS C 2.438 C A 0004 GLN CA
C A 0003 LYS C 3.304 C A 0004 GLN C
C A 0003 LYS C 3.577 C A 0004 GLN CB
C A 0004 GLN C 2.431 C A 0005 ASP CA
C A 0004 GLN C 3.089 C A 0005 ASP C
C A 0004 GLN C 3.723 C A 0005 ASP CB
C A 0004 GLN CB 3.799 H A 0006 TYR CE1
C A 0005 ASP CA 3.775 H A 0006 TYR CA
C A 0005 ASP C 2.437 H A 0006 TYR CA
C A 0005 ASP C 3.137 H A 0006 TYR C
C A 0005 ASP C 3.662 H A 0006 TYR CB
C A 0005 ASP CA 3.723 H A 0066 TYR CZ
H A 0006 TYR C 2.437 H A 0007 TYR CA
H A 0006 TYR C 3.296 H A 0007 TYR C
H A 0006 TYR C 3.603 H A 0007 TYR CB
H A 0006 TYR CD1 3.767 H A 0009 ILE CD1
H A 0006 TYR CB 3.665 H A 0053 ALA CA
H A 0006 TYR CD1 3.563 H A 0053 ALA CA
H A 0006 TYR CD2 3.709 H A 0056 VAL CB
H A 0006 TYR CD2 3.545 H A 0056 VAL CG1
H A 0006 TYR CD2 3.723 H A 0056 VAL CG2
H A 0006 TYR CE2 3.711 H A 0056 VAL CG2
H A 0007 TYR C 2.443 H A 0008 GLU CA
H A 0007 TYR C 3.122 H A 0008 GLU C
H A 0007 TYR C 3.684 H A 0008 GLU CB
H A 0007 TYR CG 3.721 C A 0015 THR CG2
H A 0007 TYR CD1 3.615 C A 0015 THR CA
H A 0007 TYR CD2 3.570 C A 0015 THR CG2
H A 0007 TYR CE1 3.731 C A 0015 THR CA
H A 0007 TYR CE1 3.573 C A 0015 THR CB
H A 0007 TYR CE2 3.585 C A 0015 THR CG2
H A 0007 TYR CZ 3.606 C A 0015 THR CB
H A 0007 TYR CZ 3.794 C A 0015 THR CG2
H A 0007 TYR CD1 3.459 H A 0057 LEU CD1
H A 0007 TYR CE1 3.768 H A 0057 LEU CD1
H A 0007 TYR CE1 3.408 H A 0057 LEU CD2
H A 0007 TYR CZ 3.696 H A 0057 LEU CD2
H A 0008 GLU C 2.441 H A 0009 ILE CA
H A 0008 GLU C 2.945 H A 0009 ILE C
H A 0008 GLU C 3.721 H A 0009 ILE CB
H A 0009 ILE CA 3.778 H A 0010 LEU CA
H A 0009 ILE C 2.398 H A 0010 LEU CA
H A 0009 ILE C 3.002 H A 0010 LEU C
H A 0009 ILE C 3.721 H A 0010 LEU CB
H A 0009 ILE CG2 3.716 H A 0049 GLU C
H A 0009 ILE CG2 3.745 H A 0053 ALA CB
H A 0010 LEU C 2.429 C A 0011 GLY CA
H A 0010 LEU C 3.301 C A 0011 GLY C
H A 0010 LEU CD2 3.635 H A 0021 ILE CG2
H A 0010 LEU CA 3.771 H A 0028 LEU CD1
H A 0010 LEU C 3.489 H A 0028 LEU CD1
C A 0011 GLY CA 3.798 C A 0012 VAL CA
C A 0011 GLY C 2.461 C A 0012 VAL CA
C A 0011 GLY C 3.600 C A 0012 VAL C
C A 0011 GLY C 3.252 C A 0012 VAL CB
C A 0012 VAL C 2.482 C A 0013 SER CA
C A 0012 VAL C 3.139 C A 0013 SER C
C A 0012 VAL C 3.717 C A 0013 SER CB
C A 0012 VAL CG2 3.468 H A 0020 GLU CG
C A 0012 VAL CG2 3.693 H A 0020 GLU CD
C A 0012 VAL CG1 3.239 H A 0021 ILE CD1
C A 0013 SER C 2.487 C A 0014 LYS CA
C A 0013 SER C 3.043 C A 0014 LYS C
C A 0013 SER C 3.134 C A 0014 LYS CB
C A 0013 SER C 3.623 C A 0014 LYS CG
C A 0014 LYS C 2.444 C A 0015 THR CA
C A 0014 LYS C 3.506 C A 0015 THR C
C A 0014 LYS C 3.393 C A 0015 THR CB
C A 0014 LYS C 3.286 C A 0015 THR CG2
C A 0015 THR CA 3.798 C A 0016 ALA CA
C A 0015 THR C 2.460 C A 0016 ALA CA
C A 0015 THR C 2.951 C A 0016 ALA C
C A 0015 THR C 3.711 C A 0016 ALA CB
C A 0016 ALA C 2.436 C A 0017 GLU CA
C A 0016 ALA C 2.927 C A 0017 GLU C
C A 0016 ALA C 3.704 C A 0017 GLU CB
C A 0017 GLU C 2.432 H A 0018 GLU CA
C A 0017 GLU C 2.923 H A 0018 GLU C
C A 0017 GLU C 3.718 H A 0018 GLU CB
C A 0017 GLU CD 3.648 H A 0019 ARG CB
H A 0018 GLU C 2.470 H A 0019 ARG CA
H A 0018 GLU C 2.922 H A 0019 ARG C
H A 0018 GLU C 3.712 H A 0019 ARG CB
H A 0018 GLU CG 3.643 H A 0054 TYR CE1
H A 0018 GLU CD 3.702 H A 0054 TYR CE1
H A 0018 GLU CG 3.753 C A 0058 THR CG2
H A 0018 GLU CD 3.289 C A 0058 THR CG2
H A 0019 ARG C 2.450 H A 0020 GLU CA
H A 0019 ARG C 3.252 H A 0020 GLU C
H A 0019 ARG C 3.662 H A 0020 GLU CB
H A 0020 GLU C 2.435 H A 0021 ILE CA
H A 0020 GLU C 2.907 H A 0021 ILE C
H A 0020 GLU C 3.766 H A 0021 ILE CB
H A 0021 ILE C 2.427 H A 0022 ARG CA
H A 0021 ILE C 2.959 H A 0022 ARG C
H A 0021 ILE C 3.705 H A 0022 ARG CB
H A 0021 ILE CD1 3.417 H A 0057 LEU CD1
H A 0022 ARG C 2.455 H A 0023 LYS CA
H A 0022 ARG C 3.095 H A 0023 LYS C
H A 0022 ARG C 3.720 H A 0023 LYS CB
H A 0022 ARG CD 3.267 H A 0054 TYR CE1
H A 0022 ARG CD 3.629 H A 0054 TYR CZ
H A 0022 ARG CZ 3.720 H A 0054 TYR CE1
H A 0022 ARG CZ 3.382 H A 0054 TYR CE2
H A 0022 ARG CZ 3.183 H A 0054 TYR CZ
H A 0023 LYS C 2.439 H A 0024 ALA CA
H A 0023 LYS C 2.930 H A 0024 ALA C
H A 0023 LYS C 3.719 H A 0024 ALA CB
H A 0024 ALA C 2.456 H A 0025 TYR CA
H A 0024 ALA C 2.949 H A 0025 TYR C
H A 0024 ALA C 3.713 H A 0025 TYR CB
H A 0024 ALA C 3.762 H A 0027 ARG CG
H A 0024 ALA C 3.715 H A 0028 LEU CD1
H A 0025 TYR C 2.415 H A 0026 LYS CA
H A 0025 TYR C 3.014 H A 0026 LYS C
H A 0025 TYR C 3.717 H A 0026 LYS CB
H A 0026 LYS C 2.437 H A 0027 ARG CA
H A 0026 LYS C 2.973 H A 0027 ARG C
H A 0026 LYS C 3.775 H A 0027 ARG CB
H A 0027 ARG CA 3.785 H A 0028 LEU CA
H A 0027 ARG C 2.426 H A 0028 LEU CA
H A 0027 ARG C 3.053 H A 0028 LEU C
H A 0027 ARG C 3.665 H A 0028 LEU CB
H A 0028 LEU C 2.451 H A 0029 ALA CA
H A 0028 LEU C 2.971 H A 0029 ALA C
H A 0028 LEU C 3.731 H A 0029 ALA CB
H A 0028 LEU CD2 3.505 H A 0032 TYR CE2
H A 0029 ALA C 2.422 H A 0030 MET CA
H A 0029 ALA C 3.035 H A 0030 MET C
H A 0029 ALA C 3.730 H A 0030 MET CB
H A 0029 ALA CB 3.560 H A 0047 PHE CE1
H A 0030 MET C 2.442 H A 0031 LYS CA
H A 0030 MET C 2.967 H A 0031 LYS C
H A 0030 MET C 3.725 H A 0031 LYS CB
H A 0031 LYS C 2.452 H A 0032 TYR CA
H A 0031 LYS C 3.307 H A 0032 TYR C
H A 0031 LYS C 3.616 H A 0032 TYR CB
H A 0032 TYR C 2.414 C A 0033 HIS CA
H A 0032 TYR C 3.013 C A 0033 HIS C
H A 0032 TYR C 3.692 C A 0033 HIS CB
H A 0032 TYR CE1 3.590 H A 0046 LYS CG
H A 0032 TYR CE1 3.179 H A 0046 LYS CD
H A 0032 TYR CZ 3.681 H A 0046 LYS CG
H A 0032 TYR CZ 3.540 H A 0046 LYS CD
H A 0032 TYR CD2 3.137 H A 0050 ILE CD1
H A 0032 TYR CE2 3.220 H A 0050 ILE CD1
C A 0033 HIS CA 2.971 C A 0034 PRO CD
C A 0033 HIS C 2.436 C A 0034 PRO CA
C A 0033 HIS C 2.968 C A 0034 PRO C
C A 0033 HIS C 3.675 C A 0034 PRO CB
C A 0033 HIS C 3.665 C A 0034 PRO CG
C A 0033 HIS C 2.504 C A 0034 PRO CD
C A 0033 HIS CB 3.795 C A 0034 PRO CD
C A 0033 HIS CE1 3.330 H A 0047 PHE CE2
C A 0033 HIS CE1 3.521 H A 0047 PHE CZ
C A 0034 PRO C 2.482 C A 0035 ASP CA
C A 0034 PRO C 2.899 C A 0035 ASP C
C A 0034 PRO C 3.332 C A 0035 ASP CB
C A 0035 ASP C 2.515 C A 0036 ARG CA
C A 0035 ASP C 3.182 C A 0036 ARG C
C A 0035 ASP C 3.296 C A 0036 ARG CB
C A 0035 ASP C 3.105 C A 0036 ARG CG
C A 0035 ASP CG 3.562 C A 0036 ARG CZ
C A 0036 ARG C 2.467 C A 0037 ASN CA
C A 0036 ARG C 3.156 C A 0037 ASN C
C A 0036 ARG C 3.749 C A 0037 ASN CB
C A 0037 ASN C 2.468 C A 0038 GLN CA
C A 0037 ASN C 3.190 C A 0038 GLN C
C A 0037 ASN C 3.654 C A 0038 GLN CB
C A 0038 GLN C 2.445 C A 0039 GLY CA
C A 0038 GLN C 3.186 C A 0039 GLY C
C A 0039 GLY C 2.458 C A 0040 ASP CA
C A 0039 GLY C 2.929 C A 0040 ASP C
C A 0039 GLY C 3.721 C A 0040 ASP CB
C A 0040 ASP C 2.499 H A 0041 LYS CA
C A 0040 ASP C 3.259 H A 0041 LYS C
C A 0040 ASP C 2.976 H A 0041 LYS CB
H A 0041 LYS C 2.438 H A 0042 GLU CA
H A 0041 LYS C 3.098 H A 0042 GLU C
H A 0041 LYS C 3.713 H A 0042 GLU CB
H A 0042 GLU C 2.432 H A 0043 ALA CA
H A 0042 GLU C 2.975 H A 0043 ALA C
H A 0042 GLU C 3.712 H A 0043 ALA CB
H A 0042 GLU C 3.799 H A 0045 ALA CB
H A 0043 ALA C 2.422 H A 0044 GLU CA
H A 0043 ALA C 2.937 H A 0044 GLU C
H A 0043 ALA C 3.761 H A 0044 GLU CB
H A 0044 GLU C 2.435 H A 0045 ALA CA
H A 0044 GLU C 2.980 H A 0045 ALA C
H A 0044 GLU C 3.712 H A 0045 ALA CB
H A 0045 ALA C 2.449 H A 0046 LYS CA
H A 0045 ALA C 3.032 H A 0046 LYS C
H A 0045 ALA C 3.678 H A 0046 LYS CB
H A 0046 LYS C 2.438 H A 0047 PHE CA
H A 0046 LYS C 2.987 H A 0047 PHE C
H A 0046 LYS C 3.732 H A 0047 PHE CB
H A 0047 PHE C 2.439 H A 0048 LYS CA
H A 0047 PHE C 3.021 H A 0048 LYS C
H A 0047 PHE C 3.756 H A 0048 LYS CB
H A 0048 LYS C 2.448 H A 0049 GLU CA
H A 0048 LYS C 2.995 H A 0049 GLU C
H A 0048 LYS C 3.721 H A 0049 GLU CB
H A 0049 GLU C 2.439 H A 0050 ILE CA
H A 0049 GLU C 3.065 H A 0050 ILE C
H A 0049 GLU C 3.686 H A 0050 ILE CB
H A 0050 ILE C 2.435 H A 0051 LYS CA
H A 0050 ILE C 2.998 H A 0051 LYS C
H A 0050 ILE C 3.674 H A 0051 LYS CB
H A 0051 LYS C 2.465 H A 0052 GLU CA
H A 0051 LYS C 2.922 H A 0052 GLU C
H A 0051 LYS C 3.742 H A 0052 GLU CB
H A 0052 GLU CA 3.793 H A 0053 ALA CA
H A 0052 GLU C 2.453 H A 0053 ALA CA
H A 0052 GLU C 2.961 H A 0053 ALA C
H A 0052 GLU C 3.702 H A 0053 ALA CB
H A 0053 ALA CA 3.797 H A 0054 TYR CA
H A 0053 ALA C 2.425 H A 0054 TYR CA
H A 0053 ALA C 2.916 H A 0054 TYR C
H A 0053 ALA C 3.715 H A 0054 TYR CB
H A 0054 TYR CA 3.796 H A 0055 GLU CA
H A 0054 TYR C 2.437 H A 0055 GLU CA
H A 0054 TYR C 3.073 H A 0055 GLU C
H A 0054 TYR C 3.593 H A 0055 GLU CB
H A 0054 TYR CE1 3.581 C A 0058 THR CG2
H A 0054 TYR CZ 3.479 C A 0058 THR CG2
H A 0055 GLU C 2.446 H A 0056 VAL CA
H A 0055 GLU C 2.959 H A 0056 VAL C
H A 0055 GLU C 3.751 H A 0056 VAL CB
H A 0056 VAL C 2.431 H A 0057 LEU CA
H A 0056 VAL C 3.138 H A 0057 LEU C
H A 0056 VAL C 3.684 H A 0057 LEU CB
H A 0056 VAL CG1 3.600 H A 0062 LYS CB
H A 0056 VAL CG2 3.744 H A 0062 LYS CD
H A 0057 LEU C 2.423 C A 0058 THR CA
H A 0057 LEU C 3.516 C A 0058 THR C
H A 0057 LEU C 3.366 C A 0058 THR CB
H A 0057 LEU C 3.214 C A 0058 THR CG2
H A 0057 LEU CA 3.708 H A 0063 ARG CG
H A 0057 LEU C 3.742 H A 0063 ARG CZ
C A 0058 THR C 2.462 C A 0059 ASP CA
C A 0058 THR C 3.210 C A 0059 ASP C
C A 0058 THR C 3.679 C A 0059 ASP CB
C A 0059 ASP C 2.449 C A 0060 SER CA
C A 0059 ASP C 3.343 C A 0060 SER C
C A 0059 ASP C 3.584 C A 0060 SER CB
C A 0059 ASP CB 3.674 H A 0062 LYS CE
C A 0059 ASP CG 3.332 H A 0062 LYS CE
C A 0059 ASP C 3.798 H A 0063 ARG CB
C A 0060 SER CA 3.796 H A 0061 GLN CA
C A 0060 SER C 2.444 H A 0061 GLN CA
C A 0060 SER C 3.172 H A 0061 GLN C
C A 0060 SER C 3.639 H A 0061 GLN CB
H A 0061 GLN C 2.471 H A 0062 LYS CA
H A 0061 GLN C 2.941 H A 0062 LYS C
H A 0061 GLN C 3.711 H A 0062 LYS CB
H A 0062 LYS CA 3.790 H A 0063 ARG CA
H A 0062 LYS C 2.452 H A 0063 ARG CA
H A 0062 LYS C 3.134 H A 0063 ARG C
H A 0062 LYS C 3.653 H A 0063 ARG CB
H A 0063 ARG C 2.469 H A 0064 ALA CA
H A 0063 ARG C 3.445 H A 0064 ALA C
H A 0063 ARG C 3.558 H A 0064 ALA CB
H A 0064 ALA C 2.436 H A 0065 ALA CA
H A 0064 ALA C 2.945 H A 0065 ALA C
H A 0064 ALA C 3.719 H A 0065 ALA CB
H A 0065 ALA C 2.447 H A 0066 TYR CA
H A 0065 ALA C 2.967 H A 0066 TYR C
H A 0065 ALA C 3.717 H A 0066 TYR CB
H A 0066 TYR CA 3.796 H A 0067 ASP CA
H A 0066 TYR C 2.472 H A 0067 ASP CA
H A 0066 TYR C 3.023 H A 0067 ASP C
H A 0066 TYR C 3.713 H A 0067 ASP CB
H A 0066 TYR CA 3.720 C A 0070 GLY CA
H A 0067 ASP CA 3.783 H A 0068 GLN CA
H A 0067 ASP C 2.426 H A 0068 GLN CA
H A 0067 ASP C 3.015 H A 0068 GLN C
H A 0067 ASP C 3.692 H A 0068 GLN CB
H A 0068 GLN C 2.474 C A 0069 TYR CA
H A 0068 GLN C 3.706 C A 0069 TYR C
H A 0068 GLN C 3.187 C A 0069 TYR CB
H A 0068 GLN C 3.337 C A 0069 TYR CG
H A 0068 GLN CG 3.696 C A 0069 TYR CD2
H A 0068 GLN CB 3.689 C A 0073 ALA CB
H A 0068 GLN CD 3.528 C A 0073 ALA CB
C A 0069 TYR C 2.455 C A 0070 GLY CA
C A 0069 TYR C 3.032 C A 0070 GLY C
C A 0070 GLY C 2.471 C A 0071 HIS CA
C A 0070 GLY C 3.627 C A 0071 HIS C
C A 0070 GLY C 3.318 C A 0071 HIS CB
C A 0070 GLY C 3.789 C A 0071 HIS CD2
C A 0071 HIS C 2.473 C A 0072 ALA CA
C A 0071 HIS C 3.573 C A 0072 ALA C
C A 0071 HIS C 3.337 C A 0072 ALA CB
C A 0071 HIS CA 3.627 C A 0075 GLU CD
C A 0071 HIS C 3.229 C A 0075 GLU CD
C A 0072 ALA C 2.479 C A 0073 ALA CA
C A 0072 ALA C 3.642 C A 0073 ALA C
C A 0072 ALA C 3.257 C A 0073 ALA CB
C A 0073 ALA CA 3.795 C A 0074 PHE CA
C A 0073 ALA C 2.453 C A 0074 PHE CA
C A 0073 ALA C 3.580 C A 0074 PHE C
C A 0073 ALA C 3.295 C A 0074 PHE CB
C A 0073 ALA C 3.389 C A 0074 PHE CG
C A 0073 ALA C 3.517 C A 0074 PHE CD1
C A 0074 PHE C 2.477 C A 0075 GLU CA
C A 0074 PHE C 3.415 C A 0075 GLU C
C A 0074 PHE C 3.544 C A 0075 GLU CB
C A 0074 PHE C 3.750 C A 0075 GLU CG
C A 0074 PHE C 3.309 C A 0075 GLU CD
C A 0075 GLU C 2.482 C A 0076 GLN CA
C A 0075 GLU C 3.326 C A 0076 GLN C
C A 0075 GLU C 3.601 C A 0076 GLN CB
C A 0075 GLU C 3.757 C A 0076 GLN CD
CHARGE_ATTR 2.00 12.00 114
C A 0005 ASP OD1 11.23 C A 0014 LYS NZ
C A 0005 ASP OD2 11.26 C A 0014 LYS NZ
H A 0008 GLU OE1 11.51 C A 0014 LYS NZ
H A 0008 GLU OE1 10.41 H A 0027 ARG NH1
H A 0008 GLU OE1 10.20 H A 0027 ARG NH2
H A 0008 GLU OE2 11.83 H A 0027 ARG NH2
C A 0017 GLU OE1 6.936 H A 0019 ARG NH1
C A 0017 GLU OE1 7.803 H A 0019 ARG NH2
C A 0017 GLU OE2 7.881 H A 0019 ARG NH1
C A 0017 GLU OE2 8.655 H A 0019 ARG NH2
C A 0017 GLU OE2 11.30 H A 0022 ARG NH1
C A 0017 GLU OE2 11.40 H A 0022 ARG NH2
C A 0017 GLU OE1 8.816 H A 0023 LYS NZ
C A 0017 GLU OE2 8.168 H A 0023 LYS NZ
C A 0017 GLU OE1 10.25 H A 0063 ARG NH1
C A 0017 GLU OE1 8.342 H A 0063 ARG NH2
C A 0017 GLU OE2 8.639 H A 0063 ARG NH1
C A 0017 GLU OE2 6.723 H A 0063 ARG NH2
H A 0018 GLU OE2 11.50 H A 0019 ARG NH1
H A 0018 GLU OE2 11.88 H A 0019 ARG NH2
H A 0018 GLU OE1 7.316 H A 0022 ARG NH1
H A 0018 GLU OE1 7.143 H A 0022 ARG NH2
H A 0018 GLU OE2 5.387 H A 0022 ARG NH1
H A 0018 GLU OE2 5.244 H A 0022 ARG NH2
H A 0018 GLU OE1 9.407 H A 0023 LYS NZ
H A 0018 GLU OE2 7.859 H A 0023 LYS NZ
H A 0018 GLU OE1 6.236 H A 0063 ARG NH1
H A 0018 GLU OE1 5.159 H A 0063 ARG NH2
H A 0018 GLU OE2 8.238 H A 0063 ARG NH1
H A 0018 GLU OE2 7.026 H A 0063 ARG NH2
H A 0020 GLU OE1 8.367 C A 0014 LYS NZ
H A 0020 GLU OE2 7.792 C A 0014 LYS NZ
H A 0020 GLU OE1 7.127 H A 0019 ARG NH1
H A 0020 GLU OE1 9.348 H A 0019 ARG NH2
H A 0020 GLU OE2 9.132 H A 0019 ARG NH1
H A 0020 GLU OE2 11.29 H A 0019 ARG NH2
H A 0020 GLU OE1 8.346 H A 0023 LYS NZ
H A 0020 GLU OE2 9.275 H A 0023 LYS NZ
H A 0020 GLU OE1 9.835 H A 0027 ARG NH1
H A 0020 GLU OE2 8.247 H A 0027 ARG NH1
H A 0020 GLU OE2 10.30 H A 0027 ARG NH2
C A 0035 ASP OD1 8.902 C A 0033 HIS ND1
C A 0035 ASP OD1 8.186 C A 0033 HIS NE2
C A 0035 ASP OD2 8.947 C A 0033 HIS ND1
C A 0035 ASP OD2 8.688 C A 0033 HIS NE2
C A 0035 ASP OD1 2.600 C A 0036 ARG NH1
C A 0035 ASP OD1 3.718 C A 0036 ARG NH2
C A 0035 ASP OD2 3.080 C A 0036 ARG NH1
C A 0035 ASP OD2 2.624 C A 0036 ARG NH2
C A 0040 ASP OD1 9.926 H A 0031 LYS NZ
C A 0040 ASP OD2 9.670 H A 0031 LYS NZ
C A 0040 ASP OD1 10.45 H A 0041 LYS NZ
C A 0040 ASP OD2 9.392 H A 0041 LYS NZ
C A 0040 ASP OD1 6.572 H A 0046 LYS NZ
C A 0040 ASP OD2 6.721 H A 0046 LYS NZ
H A 0042 GLU OE1 8.642 H A 0031 LYS NZ
H A 0042 GLU OE2 10.47 H A 0031 LYS NZ
H A 0042 GLU OE1 11.14 H A 0041 LYS NZ
H A 0042 GLU OE2 11.00 H A 0041 LYS NZ
H A 0042 GLU OE1 2.595 H A 0046 LYS NZ
H A 0042 GLU OE2 3.997 H A 0046 LYS NZ
H A 0044 GLU OE1 8.940 C A 0033 HIS ND1
H A 0044 GLU OE1 8.702 C A 0033 HIS NE2
H A 0044 GLU OE2 7.457 C A 0033 HIS ND1
H A 0044 GLU OE2 7.014 C A 0033 HIS NE2
H A 0044 GLU OE1 8.009 H A 0041 LYS NZ
H A 0044 GLU OE2 9.940 H A 0041 LYS NZ
H A 0044 GLU OE1 7.723 H A 0048 LYS NZ
H A 0044 GLU OE2 7.455 H A 0048 LYS NZ
H A 0044 GLU OE1 11.52 H A 0051 LYS NZ
H A 0044 GLU OE2 9.678 H A 0051 LYS NZ
H A 0049 GLU OE1 9.444 H A 0046 LYS NZ
H A 0049 GLU OE2 10.50 H A 0046 LYS NZ
H A 0049 GLU OE1 9.046 H A 0048 LYS NZ
H A 0049 GLU OE2 7.044 H A 0048 LYS NZ
H A 0049 GLU OE2 11.33 H A 0051 LYS NZ
H A 0049 GLU OE2 10.90 H A 0062 LYS NZ
H A 0052 GLU OE2 10.87 C A 0003 LYS NZ
H A 0052 GLU OE1 5.064 H A 0048 LYS NZ
H A 0052 GLU OE2 6.552 H A 0048 LYS NZ
H A 0052 GLU OE1 7.181 H A 0051 LYS NZ
H A 0052 GLU OE2 8.302 H A 0051 LYS NZ
H A 0052 GLU OE1 7.823 H A 0062 LYS NZ
H A 0052 GLU OE2 6.101 H A 0062 LYS NZ
H A 0055 GLU OE1 9.411 H A 0022 ARG NH1
H A 0055 GLU OE1 9.749 H A 0022 ARG NH2
H A 0055 GLU OE2 10.81 H A 0022 ARG NH1
H A 0055 GLU OE2 11.45 H A 0022 ARG NH2
H A 0055 GLU OE1 9.335 H A 0048 LYS NZ
H A 0055 GLU OE2 8.646 H A 0048 LYS NZ
H A 0055 GLU OE1 4.560 H A 0051 LYS NZ
H A 0055 GLU OE2 6.061 H A 0051 LYS NZ
H A 0055 GLU OE1 6.272 H A 0062 LYS NZ
H A 0055 GLU OE2 4.778 H A 0062 LYS NZ
C A 0059 ASP OD1 10.34 C A 0003 LYS NZ
C A 0059 ASP OD2 10.10 C A 0003 LYS NZ
C A 0059 ASP OD2 11.23 H A 0051 LYS NZ
C A 0059 ASP OD1 4.556 H A 0062 LYS NZ
C A 0059 ASP OD2 2.701 H A 0062 LYS NZ
C A 0059 ASP OD1 7.865 H A 0063 ARG NH1
C A 0059 ASP OD1 9.819 H A 0063 ARG NH2
C A 0059 ASP OD2 8.610 H A 0063 ARG NH1
C A 0059 ASP OD2 10.23 H A 0063 ARG NH2
H A 0067 ASP OD1 11.48 C A 0014 LYS NZ
H A 0067 ASP OD1 8.488 H A 0063 ARG NH1
H A 0067 ASP OD1 8.205 H A 0063 ARG NH2
H A 0067 ASP OD2 9.333 H A 0063 ARG NH1
H A 0067 ASP OD2 9.228 H A 0063 ARG NH2
C A 0075 GLU OE1 8.547 C A 0003 LYS NZ
C A 0075 GLU OE2 6.662 C A 0003 LYS NZ
C A 0075 GLU OE1 6.057 C A 0071 HIS ND1
C A 0075 GLU OE1 7.894 C A 0071 HIS NE2
C A 0075 GLU OE2 5.730 C A 0071 HIS ND1
C A 0075 GLU OE2 7.320 C A 0071 HIS NE2
CHARGE_REPU 2.00 12.00 90
C A 0003 LYS NZ 8.476 H A 0062 LYS NZ
C A 0003 LYS NZ 5.991 C A 0071 HIS ND1
C A 0003 LYS NZ 6.007 C A 0071 HIS NE2
C A 0005 ASP OD1 6.445 H A 0008 GLU OE1
C A 0005 ASP OD1 6.917 H A 0008 GLU OE2
C A 0005 ASP OD2 7.461 H A 0008 GLU OE1
C A 0005 ASP OD2 7.338 H A 0008 GLU OE2
C A 0005 ASP OD1 10.73 H A 0049 GLU OE1
C A 0005 ASP OD2 11.97 H A 0049 GLU OE1
C A 0005 ASP OD1 8.105 H A 0067 ASP OD1
C A 0005 ASP OD1 10.06 H A 0067 ASP OD2
C A 0005 ASP OD2 7.790 H A 0067 ASP OD1
C A 0005 ASP OD2 9.450 H A 0067 ASP OD2
H A 0008 GLU OE1 11.18 H A 0020 GLU OE2
H A 0008 GLU OE1 11.85 H A 0049 GLU OE1
C A 0017 GLU OE1 7.879 H A 0018 GLU OE1
C A 0017 GLU OE1 8.570 H A 0018 GLU OE2
C A 0017 GLU OE2 5.684 H A 0018 GLU OE1
C A 0017 GLU OE2 6.442 H A 0018 GLU OE2
C A 0017 GLU OE1 9.604 H A 0020 GLU OE1
C A 0017 GLU OE1 11.00 H A 0020 GLU OE2
C A 0017 GLU OE2 10.03 H A 0020 GLU OE1
C A 0017 GLU OE2 11.10 H A 0020 GLU OE2
H A 0018 GLU OE1 11.74 H A 0055 GLU OE1
H A 0018 GLU OE2 11.45 H A 0055 GLU OE1
H A 0018 GLU OE1 11.22 C A 0059 ASP OD1
H A 0018 GLU OE1 11.15 C A 0059 ASP OD2
H A 0019 ARG NH1 5.860 H A 0023 LYS NZ
H A 0019 ARG NH2 6.197 H A 0023 LYS NZ
H A 0022 ARG NH1 8.735 H A 0023 LYS NZ
H A 0022 ARG NH2 9.220 H A 0023 LYS NZ
H A 0022 ARG NH1 9.002 H A 0026 LYS NZ
H A 0022 ARG NH2 9.533 H A 0026 LYS NZ
H A 0022 ARG NH1 11.73 C A 0033 HIS ND1
H A 0022 ARG NH1 8.419 H A 0051 LYS NZ
H A 0022 ARG NH2 8.870 H A 0051 LYS NZ
H A 0022 ARG NH1 11.24 H A 0063 ARG NH2
H A 0022 ARG NH2 11.70 H A 0063 ARG NH2
H A 0023 LYS NZ 9.744 H A 0026 LYS NZ
H A 0026 LYS NZ 9.589 C A 0033 HIS ND1
H A 0026 LYS NZ 9.899 C A 0033 HIS NE2
H A 0027 ARG NH1 10.76 H A 0031 LYS NZ
H A 0027 ARG NH2 8.585 H A 0031 LYS NZ
H A 0031 LYS NZ 10.64 C A 0033 HIS ND1
H A 0031 LYS NZ 7.415 H A 0046 LYS NZ
C A 0033 HIS ND1 11.42 C A 0036 ARG NH1
C A 0033 HIS ND1 11.53 C A 0036 ARG NH2
C A 0033 HIS NE2 10.74 C A 0036 ARG NH1
C A 0033 HIS NE2 11.28 C A 0036 ARG NH2
C A 0033 HIS ND1 10.33 H A 0051 LYS NZ
C A 0033 HIS NE2 10.22 H A 0051 LYS NZ
C A 0035 ASP OD1 11.28 H A 0044 GLU OE1
C A 0035 ASP OD1 10.99 H A 0044 GLU OE2
C A 0040 ASP OD1 4.247 H A 0042 GLU OE1
C A 0040 ASP OD1 4.602 H A 0042 GLU OE2
C A 0040 ASP OD2 4.537 H A 0042 GLU OE1
C A 0040 ASP OD2 5.569 H A 0042 GLU OE2
C A 0040 ASP OD1 10.30 H A 0044 GLU OE1
C A 0040 ASP OD1 11.89 H A 0044 GLU OE2
C A 0040 ASP OD2 8.127 H A 0044 GLU OE1
C A 0040 ASP OD2 9.669 H A 0044 GLU OE2
H A 0041 LYS NZ 9.675 H A 0048 LYS NZ
H A 0042 GLU OE1 10.90 H A 0044 GLU OE1
H A 0042 GLU OE1 10.67 H A 0049 GLU OE1
H A 0042 GLU OE1 11.36 H A 0049 GLU OE2
H A 0042 GLU OE2 11.43 H A 0049 GLU OE1
H A 0044 GLU OE1 11.98 H A 0052 GLU OE1
H A 0044 GLU OE2 11.22 H A 0052 GLU OE1
H A 0048 LYS NZ 8.205 H A 0051 LYS NZ
H A 0049 GLU OE1 7.031 H A 0052 GLU OE1
H A 0049 GLU OE1 7.894 H A 0052 GLU OE2
H A 0049 GLU OE2 4.941 H A 0052 GLU OE1
H A 0049 GLU OE2 5.910 H A 0052 GLU OE2
H A 0049 GLU OE1 10.77 H A 0055 GLU OE2
H A 0049 GLU OE2 10.64 H A 0055 GLU OE1
H A 0049 GLU OE2 8.985 H A 0055 GLU OE2
H A 0051 LYS NZ 10.70 H A 0062 LYS NZ
H A 0052 GLU OE1 6.055 H A 0055 GLU OE1
H A 0052 GLU OE1 4.554 H A 0055 GLU OE2
H A 0052 GLU OE2 5.943 H A 0055 GLU OE1
H A 0052 GLU OE2 3.955 H A 0055 GLU OE2
H A 0052 GLU OE1 9.948 C A 0059 ASP OD2
H A 0052 GLU OE2 10.56 C A 0059 ASP OD1
H A 0052 GLU OE2 8.454 C A 0059 ASP OD2
H A 0055 GLU OE1 8.764 C A 0059 ASP OD1
H A 0055 GLU OE1 6.719 C A 0059 ASP OD2
H A 0055 GLU OE2 8.246 C A 0059 ASP OD1
H A 0055 GLU OE2 6.051 C A 0059 ASP OD2
H A 0062 LYS NZ 10.24 H A 0063 ARG NH1
H A 0062 LYS NZ 11.60 H A 0063 ARG NH2
HB_MM 2.00 3.20 147
C A 0003 LYS N 2.257 C A 0002 ALA O
C A 0004 GLN N 2.241 C A 0003 LYS O
C A 0005 ASP N 2.255 C A 0004 GLN O
H A 0006 TYR N 2.889 C A 0004 GLN O
H A 0006 TYR N 2.246 C A 0005 ASP O
H A 0007 TYR N 3.055 C A 0005 ASP O
H A 0007 TYR N 2.226 H A 0006 TYR O
H A 0008 GLU N 3.120 C A 0005 ASP O
H A 0008 GLU N 2.250 H A 0007 TYR O
H A 0009 ILE N 3.044 C A 0005 ASP O
H A 0009 ILE N 2.242 H A 0008 GLU O
H A 0010 LEU N 2.257 H A 0009 ILE O
C A 0011 GLY N 2.851 H A 0007 TYR O
C A 0011 GLY N 2.947 H A 0008 GLU O
C A 0011 GLY N 2.245 H A 0010 LEU O
C A 0012 VAL N 2.243 C A 0011 GLY O
C A 0013 SER N 2.245 C A 0012 VAL O
C A 0014 LYS N 2.668 C A 0012 VAL O
C A 0014 LYS N 2.232 C A 0013 SER O
C A 0015 THR N 2.236 C A 0014 LYS O
C A 0016 ALA N 2.263 C A 0015 THR O
C A 0017 GLU N 2.255 C A 0016 ALA O
H A 0018 GLU N 2.256 C A 0017 GLU O
H A 0019 ARG N 2.881 C A 0017 GLU O
H A 0019 ARG N 2.252 H A 0018 GLU O
H A 0020 GLU N 2.827 C A 0017 GLU O
H A 0020 GLU N 3.151 H A 0018 GLU O
H A 0020 GLU N 2.258 H A 0019 ARG O
H A 0021 ILE N 3.057 C A 0017 GLU O
H A 0021 ILE N 3.101 H A 0018 GLU O
H A 0021 ILE N 2.240 H A 0020 GLU O
H A 0022 ARG N 2.841 H A 0018 GLU O
H A 0022 ARG N 3.126 H A 0020 GLU O
H A 0022 ARG N 2.228 H A 0021 ILE O
H A 0023 LYS N 2.742 H A 0020 GLU O
H A 0023 LYS N 3.143 H A 0021 ILE O
H A 0023 LYS N 2.246 H A 0022 ARG O
H A 0024 ALA N 2.913 H A 0020 GLU O
H A 0024 ALA N 3.094 H A 0021 ILE O
H A 0024 ALA N 2.255 H A 0023 LYS O
H A 0025 TYR N 2.755 H A 0021 ILE O
H A 0025 TYR N 2.230 H A 0024 ALA O
H A 0026 LYS N 2.833 H A 0022 ARG O
H A 0026 LYS N 3.130 H A 0024 ALA O
H A 0026 LYS N 2.231 H A 0025 TYR O
H A 0027 ARG N 3.129 H A 0023 LYS O
H A 0027 ARG N 3.072 H A 0024 ALA O
H A 0027 ARG N 2.253 H A 0026 LYS O
H A 0028 LEU N 2.877 H A 0024 ALA O
H A 0028 LEU N 2.238 H A 0027 ARG O
H A 0029 ALA N 2.767 H A 0025 TYR O
H A 0029 ALA N 2.241 H A 0028 LEU O
H A 0030 MET N 2.248 H A 0029 ALA O
H A 0031 LYS N 2.982 H A 0027 ARG O
H A 0031 LYS N 3.110 H A 0028 LEU O
H A 0031 LYS N 2.241 H A 0030 MET O
H A 0032 TYR N 2.801 H A 0028 LEU O
H A 0032 TYR N 2.243 H A 0031 LYS O
C A 0033 HIS N 3.049 H A 0029 ALA O
C A 0033 HIS N 2.229 H A 0032 TYR O
C A 0034 PRO N 2.251 C A 0033 HIS O
C A 0035 ASP N 2.256 C A 0034 PRO O
C A 0036 ARG N 2.252 C A 0035 ASP O
C A 0037 ASN N 2.860 C A 0034 PRO O
C A 0037 ASN N 2.912 C A 0035 ASP O
C A 0037 ASN N 2.230 C A 0036 ARG O
C A 0038 GLN N 2.824 C A 0036 ARG O
C A 0038 GLN N 2.250 C A 0037 ASN O
C A 0039 GLY N 2.230 C A 0038 GLN O
C A 0040 ASP N 2.874 C A 0038 GLN O
C A 0040 ASP N 2.258 C A 0039 GLY O
H A 0041 LYS N 2.250 C A 0040 ASP O
H A 0042 GLU N 2.898 C A 0040 ASP O
H A 0042 GLU N 2.248 H A 0041 LYS O
H A 0043 ALA N 2.224 H A 0042 GLU O
H A 0044 GLU N 2.238 H A 0043 ALA O
H A 0045 ALA N 3.153 H A 0041 LYS O
H A 0045 ALA N 2.839 H A 0042 GLU O
H A 0045 ALA N 2.230 H A 0044 GLU O
H A 0046 LYS N 2.692 H A 0042 GLU O
H A 0046 LYS N 3.079 H A 0043 ALA O
H A 0046 LYS N 3.078 H A 0044 GLU O
H A 0046 LYS N 2.227 H A 0045 ALA O
H A 0047 PHE N 3.052 H A 0043 ALA O
H A 0047 PHE N 2.868 H A 0044 GLU O
H A 0047 PHE N 2.239 H A 0046 LYS O
H A 0048 LYS N 2.771 H A 0044 GLU O
H A 0048 LYS N 3.049 H A 0045 ALA O
H A 0048 LYS N 2.231 H A 0047 PHE O
H A 0049 GLU N 2.861 H A 0045 ALA O
H A 0049 GLU N 3.111 H A 0046 LYS O
H A 0049 GLU N 2.248 H A 0048 LYS O
H A 0050 ILE N 2.914 H A 0046 LYS O
H A 0050 ILE N 2.226 H A 0049 GLU O
H A 0051 LYS N 2.862 H A 0047 PHE O
H A 0051 LYS N 2.236 H A 0050 ILE O
H A 0052 GLU N 2.752 H A 0048 LYS O
H A 0052 GLU N 3.034 H A 0049 GLU O
H A 0052 GLU N 2.253 H A 0051 LYS O
H A 0053 ALA N 2.754 H A 0049 GLU O
H A 0053 ALA N 2.243 H A 0052 GLU O
H A 0054 TYR N 3.041 H A 0050 ILE O
H A 0054 TYR N 3.097 H A 0051 LYS O
H A 0054 TYR N 2.250 H A 0053 ALA O
H A 0055 GLU N 2.850 H A 0051 LYS O
H A 0055 GLU N 3.087 H A 0052 GLU O
H A 0055 GLU N 3.138 H A 0053 ALA O
H A 0055 GLU N 2.237 H A 0054 TYR O
H A 0056 VAL N 2.766 H A 0052 GLU O
H A 0056 VAL N 3.154 H A 0053 ALA O
H A 0056 VAL N 2.241 H A 0055 GLU O
H A 0057 LEU N 2.912 H A 0053 ALA O
H A 0057 LEU N 3.133 H A 0054 TYR O
H A 0057 LEU N 2.240 H A 0056 VAL O
C A 0058 THR N 3.075 H A 0055 GLU O
C A 0058 THR N 2.961 H A 0056 VAL O
C A 0058 THR N 2.233 H A 0057 LEU O
C A 0059 ASP N 2.831 H A 0056 VAL O
C A 0059 ASP N 2.255 C A 0058 THR O
C A 0060 SER N 2.239 C A 0059 ASP O
H A 0061 GLN N 2.235 C A 0060 SER O
H A 0062 LYS N 2.254 H A 0061 GLN O
H A 0063 ARG N 2.955 H A 0061 GLN O
H A 0063 ARG N 2.248 H A 0062 LYS O
H A 0064 ALA N 2.989 H A 0061 GLN O
H A 0064 ALA N 2.252 H A 0063 ARG O
H A 0065 ALA N 2.883 H A 0061 GLN O
H A 0065 ALA N 2.242 H A 0064 ALA O
H A 0066 TYR N 2.259 H A 0065 ALA O
H A 0066 TYR N 3.104 C A 0070 GLY O
H A 0067 ASP N 2.913 H A 0064 ALA O
H A 0067 ASP N 2.282 H A 0066 TYR O
H A 0068 GLN N 2.889 H A 0064 ALA O
H A 0068 GLN N 2.248 H A 0067 ASP O
C A 0069 TYR N 2.791 H A 0065 ALA O
C A 0069 TYR N 2.257 H A 0068 GLN O
C A 0070 GLY N 3.020 H A 0065 ALA O
C A 0070 GLY N 3.140 H A 0066 TYR O
C A 0070 GLY N 2.238 C A 0069 TYR O
C A 0071 HIS N 2.786 C A 0069 TYR O
C A 0071 HIS N 2.250 C A 0070 GLY O
C A 0072 ALA N 2.786 C A 0069 TYR O
C A 0072 ALA N 2.249 C A 0071 HIS O
C A 0073 ALA N 2.253 C A 0072 ALA O
C A 0074 PHE N 2.248 C A 0073 ALA O
C A 0075 GLU N 2.251 C A 0074 PHE O
C A 0076 GLN N 2.245 C A 0075 GLU O
HB_MS 2.00 3.20 19
H A 0007 TYR N 2.749 C A 0005 ASP OD1
H A 0008 GLU N 2.789 C A 0005 ASP OD1
C A 0013 SER O 2.786 C A 0014 LYS NZ
H A 0019 ARG N 3.178 C A 0017 GLU OE2
H A 0019 ARG O 2.714 H A 0023 LYS NZ
H A 0029 ALA O 2.808 C A 0033 HIS ND1
C A 0034 PRO O 2.760 C A 0037 ASN ND2
C A 0035 ASP O 3.084 C A 0037 ASN ND2
C A 0039 GLY N 2.864 C A 0038 GLN OE1
H A 0041 LYS N 2.874 C A 0040 ASP OD2
H A 0043 ALA N 2.717 C A 0040 ASP OD2
H A 0055 GLU O 3.130 C A 0058 THR OG1
H A 0057 LEU O 2.731 H A 0063 ARG NH2
C A 0060 SER N 2.752 C A 0059 ASP OD1
C A 0072 ALA N 3.180 C A 0075 GLU OE1
C A 0073 ALA N 2.676 C A 0075 GLU OE1
C A 0074 PHE O 2.910 H A 0061 GLN NE2
C A 0074 PHE N 3.093 C A 0075 GLU OE2
C A 0075 GLU N 2.848 C A 0076 GLN OE1
HB_SS 2.00 3.20 3
C A 0005 ASP OD2 2.707 H A 0066 TYR OH
H A 0018 GLU OE2 2.772 H A 0054 TYR OH
H A 0067 ASP OD1 2.663 H A 0007 TYR OH
AROMATIC 0.00 8.00 4
H A 0031 LYS 3.836 H A 0032 TYR
H A 0046 LYS 6.148 H A 0032 TYR
H A 0022 ARG 3.168 H A 0054 TYR
H A 0063 ARG 7.805 H A 0007 TYR