Complet list of 1p6r con file
Complete list of 1p6r.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 317
C A 0001 MET C 2.420 C A 0002 LYS CA
C A 0001 MET C 2.984 C A 0002 LYS C
C A 0001 MET C 3.722 C A 0002 LYS CB
C A 0002 LYS C 2.482 C A 0003 LYS CA
C A 0002 LYS C 3.591 C A 0003 LYS C
C A 0002 LYS C 3.306 C A 0003 LYS CB
C A 0003 LYS C 2.409 C A 0004 ILE CA
C A 0003 LYS C 2.906 C A 0004 ILE C
C A 0003 LYS C 3.731 C A 0004 ILE CB
C A 0003 LYS CG 3.469 C A 0082 SER C
C A 0004 ILE CA 3.019 C A 0005 PRO CD
C A 0004 ILE C 2.415 C A 0005 PRO CA
C A 0004 ILE C 3.012 C A 0005 PRO C
C A 0004 ILE C 3.647 C A 0005 PRO CB
C A 0004 ILE C 3.642 C A 0005 PRO CG
C A 0004 ILE C 2.509 C A 0005 PRO CD
C A 0004 ILE CG1 3.650 C A 0005 PRO CD
C A 0004 ILE CG2 3.540 C A 0082 SER C
C A 0005 PRO C 2.470 C A 0006 GLN CA
C A 0005 PRO C 3.180 C A 0006 GLN C
C A 0005 PRO C 3.681 C A 0006 GLN CB
C A 0005 PRO C 3.789 C A 0007 ILE CG1
C A 0005 PRO CB 3.344 C A 0007 ILE CG1
C A 0006 GLN C 2.486 C A 0007 ILE CA
C A 0006 GLN C 3.376 C A 0007 ILE C
C A 0006 GLN C 3.619 C A 0007 ILE CB
C A 0007 ILE C 2.466 H A 0008 SER CA
C A 0007 ILE C 3.284 H A 0008 SER C
C A 0007 ILE C 3.637 H A 0008 SER CB
C A 0007 ILE CG2 3.753 H A 0012 LEU CB
C A 0007 ILE CD1 3.501 H A 0051 LEU CD1
C A 0007 ILE CB 3.640 C A 0077 TYR CD1
C A 0007 ILE CB 3.501 C A 0077 TYR CE1
C A 0007 ILE CG2 3.780 C A 0077 TYR CD1
C A 0007 ILE CG2 3.637 C A 0077 TYR CE1
H A 0008 SER C 2.453 H A 0009 ASP CA
H A 0008 SER C 2.971 H A 0009 ASP C
H A 0008 SER C 3.729 H A 0009 ASP CB
H A 0009 ASP C 2.448 H A 0010 ALA CA
H A 0009 ASP C 2.992 H A 0010 ALA C
H A 0009 ASP C 3.710 H A 0010 ALA CB
H A 0010 ALA C 2.444 H A 0011 GLU CA
H A 0010 ALA C 3.064 H A 0011 GLU C
H A 0010 ALA C 3.719 H A 0011 GLU CB
H A 0010 ALA C 3.627 H A 0047 MET CE
H A 0010 ALA CB 3.540 H A 0047 MET CE
H A 0011 GLU C 2.457 H A 0012 LEU CA
H A 0011 GLU C 2.944 H A 0012 LEU C
H A 0011 GLU C 3.746 H A 0012 LEU CB
H A 0011 GLU CD 3.716 H A 0050 ARG CZ
H A 0012 LEU C 2.440 H A 0013 GLU CA
H A 0012 LEU C 2.949 H A 0013 GLU C
H A 0012 LEU C 3.714 H A 0013 GLU CB
H A 0012 LEU CD1 3.734 C A 0077 TYR CB
H A 0012 LEU CD1 3.797 C A 0077 TYR CG
H A 0012 LEU CD1 3.792 C A 0077 TYR CD2
H A 0012 LEU CD2 3.676 C A 0077 TYR CD2
H A 0013 GLU C 2.430 H A 0014 VAL CA
H A 0013 GLU C 3.024 H A 0014 VAL C
H A 0013 GLU C 3.745 H A 0014 VAL CB
H A 0014 VAL C 2.434 H A 0015 MET CA
H A 0014 VAL C 2.934 H A 0015 MET C
H A 0014 VAL C 3.747 H A 0015 MET CB
H A 0014 VAL CG2 3.750 H A 0051 LEU CD2
H A 0015 MET C 2.479 H A 0016 LYS CA
H A 0015 MET C 2.987 H A 0016 LYS C
H A 0015 MET C 3.714 H A 0016 LYS CB
H A 0015 MET C 3.461 H A 0019 TRP CE3
H A 0015 MET CB 3.680 H A 0019 TRP CE3
H A 0015 MET CB 3.290 H A 0019 TRP CZ3
H A 0015 MET CB 3.606 H A 0019 TRP CH2
H A 0015 MET CE 3.658 H A 0019 TRP CZ2
H A 0015 MET CE 3.535 H A 0019 TRP CH2
H A 0015 MET CE 3.459 C A 0072 ILE CD1
H A 0016 LYS C 2.439 H A 0017 VAL CA
H A 0016 LYS C 2.959 H A 0017 VAL C
H A 0016 LYS C 3.716 H A 0017 VAL CB
H A 0017 VAL C 2.461 H A 0018 ILE CA
H A 0017 VAL C 3.008 H A 0018 ILE C
H A 0017 VAL C 3.734 H A 0018 ILE CB
H A 0017 VAL CG1 3.649 C A 0021 HIS CE1
H A 0017 VAL CG1 3.586 H A 0032 GLU CG
H A 0018 ILE C 2.458 H A 0019 TRP CA
H A 0018 ILE C 3.060 H A 0019 TRP C
H A 0018 ILE C 3.747 H A 0019 TRP CB
H A 0018 ILE CG1 3.767 E A 0024 ILE CG2
H A 0018 ILE CD1 3.640 E A 0057 LEU CD2
H A 0018 ILE CG2 3.778 E A 0070 PRO CG
H A 0019 TRP C 2.438 H A 0020 LYS CA
H A 0019 TRP C 3.141 H A 0020 LYS C
H A 0019 TRP C 3.721 H A 0020 LYS CB
H A 0020 LYS C 2.475 C A 0021 HIS CA
H A 0020 LYS C 3.383 C A 0021 HIS C
H A 0020 LYS C 3.590 C A 0021 HIS CB
H A 0020 LYS C 3.727 C A 0021 HIS CG
H A 0020 LYS C 3.635 C A 0021 HIS CD2
C A 0021 HIS C 2.448 C A 0022 SER CA
C A 0021 HIS C 2.984 C A 0022 SER C
C A 0021 HIS C 3.694 C A 0022 SER CB
C A 0021 HIS CE1 3.483 E A 0024 ILE CD1
C A 0022 SER CA 3.747 C A 0023 SER CA
C A 0022 SER C 2.412 C A 0023 SER CA
C A 0022 SER C 3.482 C A 0023 SER C
C A 0022 SER C 3.303 C A 0023 SER CB
C A 0023 SER C 2.460 E A 0024 ILE CA
C A 0023 SER C 3.657 E A 0024 ILE C
C A 0023 SER C 3.178 E A 0024 ILE CB
C A 0023 SER C 3.610 E A 0024 ILE CG2
C A 0023 SER CB 3.517 E A 0067 VAL CG1
E A 0024 ILE C 2.466 E A 0025 ASN CA
E A 0024 ILE C 3.326 E A 0025 ASN C
E A 0024 ILE C 3.658 E A 0025 ASN CB
E A 0024 ILE CG1 3.740 H A 0028 GLU CB
E A 0024 ILE CG2 3.688 H A 0029 VAL CG2
E A 0025 ASN C 2.468 H A 0026 THR CA
E A 0025 ASN C 3.010 H A 0026 THR C
E A 0025 ASN C 3.716 H A 0026 THR CB
H A 0026 THR C 2.430 H A 0027 ASN CA
H A 0026 THR C 2.936 H A 0027 ASN C
H A 0026 THR C 3.737 H A 0027 ASN CB
H A 0026 THR CG2 3.788 E A 0066 PHE CE1
H A 0027 ASN C 2.440 H A 0028 GLU CA
H A 0027 ASN C 2.981 H A 0028 GLU C
H A 0027 ASN C 3.680 H A 0028 GLU CB
H A 0028 GLU C 2.446 H A 0029 VAL CA
H A 0028 GLU C 3.005 H A 0029 VAL C
H A 0028 GLU C 3.749 H A 0029 VAL CB
H A 0029 VAL C 2.452 H A 0030 ILE CA
H A 0029 VAL C 2.968 H A 0030 ILE C
H A 0029 VAL C 3.751 H A 0030 ILE CB
H A 0030 ILE C 2.440 H A 0031 LYS CA
H A 0030 ILE C 2.973 H A 0031 LYS C
H A 0030 ILE C 3.728 H A 0031 LYS CB
H A 0031 LYS C 2.462 H A 0032 GLU CA
H A 0031 LYS C 2.988 H A 0032 GLU C
H A 0031 LYS C 3.719 H A 0032 GLU CB
H A 0032 GLU C 2.414 H A 0033 LEU CA
H A 0032 GLU C 2.975 H A 0033 LEU C
H A 0032 GLU C 3.740 H A 0033 LEU CB
H A 0033 LEU C 2.440 H A 0034 SER CA
H A 0033 LEU C 2.978 H A 0034 SER C
H A 0033 LEU C 3.730 H A 0034 SER CB
H A 0033 LEU CB 3.532 H A 0044 ILE CD1
H A 0034 SER C 2.448 H A 0035 LYS CA
H A 0034 SER C 3.051 H A 0035 LYS C
H A 0034 SER C 3.718 H A 0035 LYS CB
H A 0035 LYS C 2.447 H A 0036 THR CA
H A 0035 LYS C 3.170 H A 0036 THR C
H A 0035 LYS C 3.692 H A 0036 THR CB
H A 0036 THR C 2.481 H A 0037 SER CA
H A 0036 THR C 3.638 H A 0037 SER C
H A 0036 THR C 3.282 H A 0037 SER CB
H A 0037 SER C 2.469 C A 0038 THR CA
H A 0037 SER C 3.157 C A 0038 THR C
H A 0037 SER C 3.697 C A 0038 THR CB
H A 0037 SER CB 3.654 C A 0039 TRP CE2
H A 0037 SER CB 3.708 C A 0039 TRP CZ2
C A 0038 THR C 2.468 C A 0039 TRP CA
C A 0038 THR C 3.305 C A 0039 TRP C
C A 0038 THR C 3.636 C A 0039 TRP CB
C A 0039 TRP C 2.437 H A 0040 SER CA
C A 0039 TRP C 3.004 H A 0040 SER C
C A 0039 TRP C 3.711 H A 0040 SER CB
C A 0039 TRP CB 3.701 H A 0043 THR CB
C A 0039 TRP CE3 3.766 H A 0044 ILE CD1
H A 0040 SER CA 2.998 H A 0041 PRO CD
H A 0040 SER C 2.471 H A 0041 PRO CA
H A 0040 SER C 2.978 H A 0041 PRO C
H A 0040 SER C 3.669 H A 0041 PRO CB
H A 0040 SER C 3.682 H A 0041 PRO CG
H A 0040 SER C 2.501 H A 0041 PRO CD
H A 0040 SER CB 3.769 H A 0041 PRO CD
H A 0041 PRO C 2.469 H A 0042 LYS CA
H A 0041 PRO C 2.972 H A 0042 LYS C
H A 0041 PRO C 3.726 H A 0042 LYS CB
H A 0042 LYS C 2.462 H A 0043 THR CA
H A 0042 LYS C 2.970 H A 0043 THR C
H A 0042 LYS C 3.731 H A 0043 THR CB
H A 0043 THR C 2.447 H A 0044 ILE CA
H A 0043 THR C 2.975 H A 0044 ILE C
H A 0043 THR C 3.746 H A 0044 ILE CB
H A 0044 ILE C 2.444 H A 0045 GLN CA
H A 0044 ILE C 2.970 H A 0045 GLN C
H A 0044 ILE C 3.715 H A 0045 GLN CB
H A 0045 GLN C 2.452 H A 0046 THR CA
H A 0045 GLN C 3.029 H A 0046 THR C
H A 0045 GLN C 3.733 H A 0046 THR CB
H A 0046 THR C 2.458 H A 0047 MET CA
H A 0046 THR C 2.983 H A 0047 MET C
H A 0046 THR C 3.720 H A 0047 MET CB
H A 0047 MET C 2.446 H A 0048 LEU CA
H A 0047 MET C 2.938 H A 0048 LEU C
H A 0047 MET C 3.726 H A 0048 LEU CB
H A 0048 LEU C 2.449 H A 0049 LEU CA
H A 0048 LEU C 2.967 H A 0049 LEU C
H A 0048 LEU C 3.724 H A 0049 LEU CB
H A 0048 LEU CD1 3.787 E A 0068 TYR CZ
H A 0048 LEU CD2 3.777 E A 0068 TYR CE1
H A 0048 LEU CD2 3.758 E A 0068 TYR CE2
H A 0048 LEU CD2 3.747 E A 0068 TYR CZ
H A 0049 LEU C 2.462 H A 0050 ARG CA
H A 0049 LEU C 2.966 H A 0050 ARG C
H A 0049 LEU C 3.740 H A 0050 ARG CB
H A 0050 ARG C 2.456 H A 0051 LEU CA
H A 0050 ARG C 3.015 H A 0051 LEU C
H A 0050 ARG C 3.688 H A 0051 LEU CB
H A 0051 LEU C 2.439 H A 0052 ILE CA
H A 0051 LEU C 3.048 H A 0052 ILE C
H A 0051 LEU C 3.707 H A 0052 ILE CB
H A 0052 ILE C 2.469 H A 0053 LYS CA
H A 0052 ILE C 3.009 H A 0053 LYS C
H A 0052 ILE C 3.724 H A 0053 LYS CB
H A 0052 ILE CD1 3.673 E A 0059 HIS CD2
H A 0053 LYS C 2.468 H A 0054 LYS CA
H A 0053 LYS C 3.220 H A 0054 LYS C
H A 0053 LYS C 3.675 H A 0054 LYS CB
H A 0054 LYS C 2.452 C A 0055 GLY CA
H A 0054 LYS C 3.069 C A 0055 GLY C
C A 0055 GLY C 2.465 C A 0056 ALA CA
C A 0055 GLY C 3.158 C A 0056 ALA C
C A 0055 GLY C 3.700 C A 0056 ALA CB
C A 0056 ALA C 2.459 E A 0057 LEU CA
C A 0056 ALA C 3.438 E A 0057 LEU C
C A 0056 ALA C 3.548 E A 0057 LEU CB
C A 0056 ALA C 3.407 E A 0057 LEU CD1
C A 0056 ALA C 3.683 C A 0071 ASN CB
C A 0056 ALA CA 3.602 C A 0072 ILE CG1
C A 0056 ALA C 3.703 C A 0072 ILE CG1
C A 0056 ALA C 3.641 C A 0072 ILE CD1
E A 0057 LEU C 2.441 E A 0058 ASN CA
E A 0057 LEU C 3.153 E A 0058 ASN C
E A 0057 LEU C 3.668 E A 0058 ASN CB
E A 0057 LEU CD1 3.640 C A 0072 ILE CD1
E A 0058 ASN C 2.431 E A 0059 HIS CA
E A 0058 ASN C 3.600 E A 0059 HIS C
E A 0058 ASN C 3.346 E A 0059 HIS CB
E A 0059 HIS C 2.474 E A 0060 HIS CA
E A 0059 HIS C 3.506 E A 0060 HIS C
E A 0059 HIS C 3.472 E A 0060 HIS CB
E A 0059 HIS C 3.566 E A 0060 HIS CG
E A 0059 HIS C 3.593 E A 0060 HIS CD2
E A 0059 HIS CG 3.796 E A 0066 PHE CD2
E A 0060 HIS C 2.454 E A 0061 LYS CA
E A 0060 HIS C 3.227 E A 0061 LYS C
E A 0060 HIS C 3.683 E A 0061 LYS CB
E A 0061 LYS C 2.443 E A 0062 GLU CA
E A 0061 LYS C 3.171 E A 0062 GLU C
E A 0061 LYS C 3.652 E A 0062 GLU CB
E A 0062 GLU C 2.481 C A 0063 GLY CA
E A 0062 GLU C 3.110 C A 0063 GLY C
C A 0063 GLY C 2.477 C A 0064 ARG CA
C A 0063 GLY C 3.402 C A 0064 ARG C
C A 0063 GLY C 3.598 C A 0064 ARG CB
C A 0064 ARG C 2.461 E A 0065 VAL CA
C A 0064 ARG C 3.365 E A 0065 VAL C
C A 0064 ARG C 3.600 E A 0065 VAL CB
C A 0064 ARG C 3.776 E A 0065 VAL CG1
E A 0065 VAL C 2.450 E A 0066 PHE CA
E A 0065 VAL C 3.430 E A 0066 PHE C
E A 0065 VAL C 3.514 E A 0066 PHE CB
E A 0066 PHE C 2.484 E A 0067 VAL CA
E A 0066 PHE C 3.227 E A 0067 VAL C
E A 0066 PHE C 3.681 E A 0067 VAL CB
E A 0066 PHE CD2 3.358 E A 0068 TYR CE1
E A 0066 PHE CD2 3.713 E A 0068 TYR CZ
E A 0066 PHE CE2 3.624 E A 0068 TYR CE1
E A 0067 VAL C 2.465 E A 0068 TYR CA
E A 0067 VAL C 3.366 E A 0068 TYR C
E A 0067 VAL C 3.637 E A 0068 TYR CB
E A 0068 TYR C 2.485 E A 0069 THR CA
E A 0068 TYR C 3.389 E A 0069 THR C
E A 0068 TYR C 3.592 E A 0069 THR CB
E A 0069 THR CA 2.982 E A 0070 PRO CD
E A 0069 THR C 2.458 E A 0070 PRO CA
E A 0069 THR C 3.014 E A 0070 PRO C
E A 0069 THR C 3.679 E A 0070 PRO CB
E A 0069 THR C 3.653 E A 0070 PRO CG
E A 0069 THR C 2.499 E A 0070 PRO CD
E A 0070 PRO C 2.455 C A 0071 ASN CA
E A 0070 PRO C 3.184 C A 0071 ASN C
E A 0070 PRO C 3.692 C A 0071 ASN CB
C A 0071 ASN C 2.504 C A 0072 ILE CA
C A 0071 ASN C 3.479 C A 0072 ILE C
C A 0071 ASN C 3.600 C A 0072 ILE CB
C A 0072 ILE C 2.474 C A 0073 ASP CA
C A 0072 ILE C 3.675 C A 0073 ASP C
C A 0072 ILE C 3.202 C A 0073 ASP CB
C A 0073 ASP C 2.472 C A 0074 GLU CA
C A 0073 ASP C 2.984 C A 0074 GLU C
C A 0073 ASP C 3.743 C A 0074 GLU CB
C A 0074 GLU C 2.473 C A 0075 SER CA
C A 0074 GLU C 3.137 C A 0075 SER C
C A 0074 GLU C 3.697 C A 0075 SER CB
C A 0075 SER C 2.462 C A 0076 ASP CA
C A 0075 SER C 3.117 C A 0076 ASP C
C A 0075 SER C 3.718 C A 0076 ASP CB
C A 0076 ASP C 2.483 C A 0077 TYR CA
C A 0076 ASP C 3.132 C A 0077 TYR C
C A 0076 ASP C 3.071 C A 0077 TYR CB
C A 0077 TYR C 2.467 C A 0078 ILE CA
C A 0077 TYR C 3.516 C A 0078 ILE C
C A 0077 TYR C 3.450 C A 0078 ILE CB
C A 0077 TYR C 3.391 C A 0078 ILE CG1
C A 0077 TYR CE1 3.514 C A 0079 GLU CG
C A 0077 TYR CE1 3.567 C A 0079 GLU CD
C A 0078 ILE C 2.444 C A 0079 GLU CA
C A 0078 ILE C 3.186 C A 0079 GLU C
C A 0078 ILE C 3.684 C A 0079 GLU CB
C A 0079 GLU C 2.486 C A 0080 VAL CA
C A 0079 GLU C 3.414 C A 0080 VAL C
C A 0079 GLU C 3.552 C A 0080 VAL CB
C A 0080 VAL C 2.456 C A 0081 LYS CA
C A 0080 VAL C 3.075 C A 0081 LYS C
C A 0080 VAL C 3.721 C A 0081 LYS CB
C A 0081 LYS C 2.503 C A 0082 SER CA
C A 0081 LYS C 3.679 C A 0082 SER C
C A 0081 LYS C 3.223 C A 0082 SER CB
CHARGE_ATTR 2.00 12.00 58
H A 0009 ASP OD1 5.242 H A 0016 LYS NZ
H A 0009 ASP OD2 6.367 H A 0016 LYS NZ
H A 0011 GLU OE1 10.97 C A 0003 LYS NZ
H A 0011 GLU OE2 10.64 C A 0003 LYS NZ
H A 0011 GLU OE1 11.60 H A 0016 LYS NZ
H A 0011 GLU OE1 3.928 H A 0050 ARG NH1
H A 0011 GLU OE1 3.012 H A 0050 ARG NH2
H A 0011 GLU OE2 3.910 H A 0050 ARG NH1
H A 0011 GLU OE2 3.363 H A 0050 ARG NH2
H A 0011 GLU OE2 11.07 H A 0053 LYS NZ
H A 0011 GLU OE1 4.430 H A 0054 LYS NZ
H A 0011 GLU OE2 3.379 H A 0054 LYS NZ
H A 0013 GLU OE1 4.790 H A 0016 LYS NZ
H A 0013 GLU OE2 2.869 H A 0016 LYS NZ
H A 0013 GLU OE2 11.87 H A 0020 LYS NZ
H A 0028 GLU OE1 9.997 C A 0021 HIS ND1
H A 0028 GLU OE1 10.25 C A 0021 HIS NE2
H A 0028 GLU OE2 9.796 C A 0021 HIS ND1
H A 0028 GLU OE2 10.29 C A 0021 HIS NE2
H A 0028 GLU OE1 7.651 H A 0031 LYS NZ
H A 0028 GLU OE2 9.720 H A 0031 LYS NZ
H A 0028 GLU OE1 7.322 H A 0035 LYS NZ
H A 0028 GLU OE2 9.268 H A 0035 LYS NZ
H A 0032 GLU OE1 11.54 H A 0020 LYS NZ
H A 0032 GLU OE1 5.944 C A 0021 HIS ND1
H A 0032 GLU OE1 4.529 C A 0021 HIS NE2
H A 0032 GLU OE2 7.642 C A 0021 HIS ND1
H A 0032 GLU OE2 6.380 C A 0021 HIS NE2
H A 0032 GLU OE2 11.68 H A 0031 LYS NZ
H A 0032 GLU OE1 6.547 H A 0035 LYS NZ
H A 0032 GLU OE2 6.275 H A 0035 LYS NZ
E A 0062 GLU OE1 10.45 E A 0059 HIS ND1
E A 0062 GLU OE2 11.09 E A 0059 HIS ND1
E A 0062 GLU OE1 7.300 E A 0060 HIS ND1
E A 0062 GLU OE1 9.170 E A 0060 HIS NE2
E A 0062 GLU OE2 8.812 E A 0060 HIS ND1
E A 0062 GLU OE2 10.41 E A 0060 HIS NE2
E A 0062 GLU OE1 10.98 E A 0061 LYS NZ
E A 0062 GLU OE2 10.40 E A 0061 LYS NZ
C A 0073 ASP OD1 11.93 C A 0002 LYS NZ
C A 0073 ASP OD1 9.217 H A 0020 LYS NZ
C A 0073 ASP OD2 10.31 H A 0020 LYS NZ
C A 0073 ASP OD1 11.42 C A 0021 HIS ND1
C A 0074 GLU OE1 8.704 C A 0002 LYS NZ
C A 0074 GLU OE2 10.59 C A 0002 LYS NZ
C A 0076 ASP OD1 7.888 H A 0016 LYS NZ
C A 0076 ASP OD2 8.641 H A 0016 LYS NZ
C A 0076 ASP OD1 10.30 H A 0020 LYS NZ
C A 0076 ASP OD2 10.02 H A 0020 LYS NZ
C A 0079 GLU OE1 11.17 C A 0003 LYS NZ
C A 0079 GLU OE2 9.068 C A 0003 LYS NZ
C A 0079 GLU OE1 10.26 H A 0050 ARG NH1
C A 0079 GLU OE1 8.213 H A 0050 ARG NH2
C A 0079 GLU OE2 8.578 H A 0050 ARG NH1
C A 0079 GLU OE2 6.412 H A 0050 ARG NH2
C A 0079 GLU OE1 8.495 H A 0054 LYS NZ
C A 0079 GLU OE2 6.678 H A 0054 LYS NZ
C A 0079 GLU OE2 11.82 C A 0081 LYS NZ
CHARGE_REPU 2.00 12.00 73
C A 0002 LYS NZ 11.18 H A 0054 LYS NZ
C A 0003 LYS NZ 9.542 H A 0050 ARG NH1
C A 0003 LYS NZ 8.309 H A 0050 ARG NH2
C A 0003 LYS NZ 11.46 H A 0053 LYS NZ
C A 0003 LYS NZ 7.977 H A 0054 LYS NZ
C A 0003 LYS NZ 11.88 C A 0081 LYS NZ
H A 0009 ASP OD1 9.730 H A 0011 GLU OE1
H A 0009 ASP OD1 11.28 H A 0011 GLU OE2
H A 0009 ASP OD2 9.571 H A 0011 GLU OE1
H A 0009 ASP OD2 11.15 H A 0011 GLU OE2
H A 0009 ASP OD1 6.311 H A 0013 GLU OE1
H A 0009 ASP OD1 4.595 H A 0013 GLU OE2
H A 0009 ASP OD2 5.691 H A 0013 GLU OE1
H A 0009 ASP OD2 4.705 H A 0013 GLU OE2
H A 0009 ASP OD1 10.60 C A 0076 ASP OD1
H A 0009 ASP OD1 11.36 C A 0076 ASP OD2
H A 0009 ASP OD1 9.751 C A 0079 GLU OE1
H A 0009 ASP OD1 10.93 C A 0079 GLU OE2
H A 0009 ASP OD2 10.89 C A 0079 GLU OE1
H A 0009 ASP OD2 11.82 C A 0079 GLU OE2
H A 0011 GLU OE1 11.56 H A 0013 GLU OE2
H A 0011 GLU OE1 7.863 C A 0079 GLU OE1
H A 0011 GLU OE1 6.681 C A 0079 GLU OE2
H A 0011 GLU OE2 9.417 C A 0079 GLU OE1
H A 0011 GLU OE2 7.991 C A 0079 GLU OE2
H A 0013 GLU OE1 11.12 H A 0032 GLU OE1
H A 0013 GLU OE1 9.698 H A 0032 GLU OE2
H A 0013 GLU OE2 11.32 H A 0032 GLU OE2
H A 0013 GLU OE2 10.65 C A 0076 ASP OD1
H A 0013 GLU OE2 11.46 C A 0076 ASP OD2
H A 0016 LYS NZ 9.948 H A 0020 LYS NZ
H A 0020 LYS NZ 9.615 C A 0021 HIS ND1
H A 0020 LYS NZ 8.747 C A 0021 HIS NE2
C A 0021 HIS ND1 11.58 H A 0035 LYS NZ
C A 0021 HIS NE2 10.59 H A 0035 LYS NZ
H A 0028 GLU OE1 8.915 H A 0032 GLU OE1
H A 0028 GLU OE1 10.04 H A 0032 GLU OE2
H A 0028 GLU OE2 9.903 H A 0032 GLU OE1
H A 0028 GLU OE2 11.36 H A 0032 GLU OE2
H A 0028 GLU OE2 10.92 E A 0062 GLU OE1
H A 0028 GLU OE2 11.87 E A 0062 GLU OE2
H A 0031 LYS NZ 6.986 H A 0035 LYS NZ
H A 0031 LYS NZ 11.71 C A 0064 ARG NH2
H A 0042 LYS NZ 11.84 H A 0050 ARG NH1
H A 0050 ARG NH1 10.32 H A 0053 LYS NZ
H A 0050 ARG NH2 11.18 H A 0053 LYS NZ
H A 0050 ARG NH1 5.394 H A 0054 LYS NZ
H A 0050 ARG NH2 3.740 H A 0054 LYS NZ
H A 0053 LYS NZ 10.63 H A 0054 LYS NZ
H A 0053 LYS NZ 11.90 E A 0059 HIS ND1
H A 0053 LYS NZ 9.767 E A 0059 HIS NE2
E A 0059 HIS ND1 7.462 E A 0060 HIS ND1
E A 0059 HIS ND1 7.560 E A 0060 HIS NE2
E A 0059 HIS NE2 9.137 E A 0060 HIS ND1
E A 0059 HIS NE2 8.816 E A 0060 HIS NE2
E A 0059 HIS ND1 7.082 E A 0061 LYS NZ
E A 0059 HIS NE2 7.677 E A 0061 LYS NZ
E A 0060 HIS ND1 9.696 E A 0061 LYS NZ
E A 0060 HIS NE2 9.180 E A 0061 LYS NZ
C A 0073 ASP OD1 5.978 C A 0074 GLU OE1
C A 0073 ASP OD1 6.060 C A 0074 GLU OE2
C A 0073 ASP OD2 4.693 C A 0074 GLU OE1
C A 0073 ASP OD2 4.389 C A 0074 GLU OE2
C A 0073 ASP OD1 7.283 C A 0076 ASP OD1
C A 0073 ASP OD1 7.971 C A 0076 ASP OD2
C A 0073 ASP OD2 7.674 C A 0076 ASP OD1
C A 0073 ASP OD2 7.913 C A 0076 ASP OD2
C A 0074 GLU OE1 9.764 C A 0076 ASP OD1
C A 0074 GLU OE1 10.33 C A 0076 ASP OD2
C A 0074 GLU OE2 10.88 C A 0076 ASP OD1
C A 0074 GLU OE2 11.14 C A 0076 ASP OD2
C A 0076 ASP OD1 11.22 C A 0079 GLU OE1
C A 0076 ASP OD1 11.93 C A 0079 GLU OE2
HB_MM 2.00 3.20 151
C A 0001 MET N 2.779 H A 0053 LYS O
C A 0002 LYS N 2.255 C A 0001 MET O
C A 0003 LYS N 2.254 C A 0002 LYS O
C A 0003 LYS N 2.821 H A 0054 LYS O
C A 0004 ILE N 2.243 C A 0003 LYS O
C A 0005 PRO N 2.236 C A 0004 ILE O
C A 0006 GLN N 2.954 C A 0004 ILE O
C A 0006 GLN N 2.249 C A 0005 PRO O
C A 0007 ILE N 2.990 C A 0005 PRO O
C A 0007 ILE N 2.261 C A 0006 GLN O
H A 0008 SER N 2.249 C A 0007 ILE O
H A 0009 ASP N 2.243 H A 0008 SER O
H A 0010 ALA N 3.112 H A 0008 SER O
H A 0010 ALA N 2.246 H A 0009 ASP O
H A 0011 GLU N 2.860 H A 0008 SER O
H A 0011 GLU N 2.246 H A 0010 ALA O
H A 0012 LEU N 2.834 H A 0008 SER O
H A 0012 LEU N 2.983 H A 0009 ASP O
H A 0012 LEU N 2.252 H A 0011 GLU O
H A 0013 GLU N 2.902 H A 0009 ASP O
H A 0013 GLU N 3.090 H A 0011 GLU O
H A 0013 GLU N 2.245 H A 0012 LEU O
H A 0014 VAL N 2.778 H A 0011 GLU O
H A 0014 VAL N 2.246 H A 0013 GLU O
H A 0015 MET N 3.026 H A 0011 GLU O
H A 0015 MET N 3.094 H A 0012 LEU O
H A 0015 MET N 2.252 H A 0014 VAL O
H A 0016 LYS N 2.785 H A 0012 LEU O
H A 0016 LYS N 2.256 H A 0015 MET O
H A 0017 VAL N 2.906 H A 0013 GLU O
H A 0017 VAL N 2.253 H A 0016 LYS O
H A 0018 ILE N 2.835 H A 0014 VAL O
H A 0018 ILE N 3.184 H A 0015 MET O
H A 0018 ILE N 2.250 H A 0017 VAL O
H A 0019 TRP N 2.790 H A 0015 MET O
H A 0019 TRP N 2.243 H A 0018 ILE O
H A 0020 LYS N 2.985 H A 0017 VAL O
H A 0020 LYS N 3.005 H A 0018 ILE O
H A 0020 LYS N 2.240 H A 0019 TRP O
C A 0021 HIS N 2.831 H A 0018 ILE O
C A 0021 HIS N 2.248 H A 0020 LYS O
C A 0022 SER N 2.242 C A 0021 HIS O
C A 0023 SER N 2.237 C A 0022 SER O
E A 0024 ILE N 2.228 C A 0023 SER O
E A 0025 ASN N 2.258 E A 0024 ILE O
H A 0026 THR N 2.255 E A 0025 ASN O
H A 0027 ASN N 2.240 H A 0026 THR O
H A 0028 GLU N 2.253 H A 0027 ASN O
H A 0029 VAL N 2.827 E A 0025 ASN O
H A 0029 VAL N 3.072 H A 0026 THR O
H A 0029 VAL N 2.247 H A 0028 GLU O
H A 0030 ILE N 2.826 H A 0026 THR O
H A 0030 ILE N 2.250 H A 0029 VAL O
H A 0031 LYS N 2.876 H A 0027 ASN O
H A 0031 LYS N 2.248 H A 0030 ILE O
H A 0032 GLU N 2.823 H A 0028 GLU O
H A 0032 GLU N 2.251 H A 0031 LYS O
H A 0033 LEU N 2.871 H A 0029 VAL O
H A 0033 LEU N 2.251 H A 0032 GLU O
H A 0034 SER N 2.793 H A 0030 ILE O
H A 0034 SER N 3.168 H A 0031 LYS O
H A 0034 SER N 2.235 H A 0033 LEU O
H A 0035 LYS N 2.849 H A 0031 LYS O
H A 0035 LYS N 2.244 H A 0034 SER O
H A 0036 THR N 2.957 H A 0032 GLU O
H A 0036 THR N 3.181 H A 0033 LEU O
H A 0036 THR N 2.245 H A 0035 LYS O
H A 0037 SER N 2.733 H A 0033 LEU O
H A 0037 SER N 2.230 H A 0036 THR O
C A 0038 THR N 2.245 H A 0037 SER O
C A 0039 TRP N 2.680 H A 0037 SER O
C A 0039 TRP N 2.252 C A 0038 THR O
H A 0040 SER N 2.242 C A 0039 TRP O
H A 0041 PRO N 2.252 H A 0040 SER O
H A 0042 LYS N 3.015 H A 0040 SER O
H A 0042 LYS N 2.254 H A 0041 PRO O
H A 0043 THR N 2.757 H A 0040 SER O
H A 0043 THR N 3.169 H A 0041 PRO O
H A 0043 THR N 2.247 H A 0042 LYS O
H A 0044 ILE N 2.915 H A 0041 PRO O
H A 0044 ILE N 2.256 H A 0043 THR O
H A 0045 GLN N 2.880 H A 0041 PRO O
H A 0045 GLN N 2.248 H A 0044 ILE O
H A 0046 THR N 2.801 H A 0042 LYS O
H A 0046 THR N 3.091 H A 0043 THR O
H A 0046 THR N 2.245 H A 0045 GLN O
H A 0047 MET N 2.890 H A 0043 THR O
H A 0047 MET N 3.137 H A 0044 ILE O
H A 0047 MET N 2.247 H A 0046 THR O
H A 0048 LEU N 2.823 H A 0044 ILE O
H A 0048 LEU N 2.247 H A 0047 MET O
H A 0049 LEU N 2.806 H A 0045 GLN O
H A 0049 LEU N 3.198 H A 0046 THR O
H A 0049 LEU N 2.249 H A 0048 LEU O
H A 0050 ARG N 2.838 H A 0046 THR O
H A 0050 ARG N 3.171 H A 0047 MET O
H A 0050 ARG N 2.250 H A 0049 LEU O
H A 0051 LEU N 3.022 H A 0047 MET O
H A 0051 LEU N 2.248 H A 0050 ARG O
H A 0052 ILE N 2.807 H A 0048 LEU O
H A 0052 ILE N 3.200 H A 0050 ARG O
H A 0052 ILE N 2.235 H A 0051 LEU O
H A 0053 LYS N 2.798 H A 0049 LEU O
H A 0053 LYS N 3.103 H A 0050 ARG O
H A 0053 LYS N 2.246 H A 0052 ILE O
H A 0054 LYS N 2.874 H A 0050 ARG O
H A 0054 LYS N 2.258 H A 0053 LYS O
C A 0055 GLY N 2.823 H A 0052 ILE O
C A 0055 GLY N 2.237 H A 0054 LYS O
C A 0056 ALA N 2.727 H A 0051 LEU O
C A 0056 ALA N 2.254 C A 0055 GLY O
E A 0057 LEU N 3.041 H A 0051 LEU O
E A 0057 LEU N 2.240 C A 0056 ALA O
E A 0058 ASN N 2.249 E A 0057 LEU O
E A 0058 ASN N 2.869 E A 0069 THR O
E A 0059 HIS N 2.243 E A 0058 ASN O
E A 0060 HIS N 2.266 E A 0059 HIS O
E A 0060 HIS N 2.889 E A 0067 VAL O
E A 0061 LYS N 2.246 E A 0060 HIS O
E A 0062 GLU N 2.242 E A 0061 LYS O
E A 0062 GLU N 2.699 E A 0065 VAL O
C A 0063 GLY N 2.951 E A 0061 LYS O
C A 0063 GLY N 2.262 E A 0062 GLU O
C A 0064 ARG N 2.677 E A 0062 GLU O
C A 0064 ARG N 2.252 C A 0063 GLY O
E A 0065 VAL N 2.250 C A 0064 ARG O
E A 0066 PHE N 2.243 E A 0065 VAL O
E A 0067 VAL N 2.779 E A 0060 HIS O
E A 0067 VAL N 2.256 E A 0066 PHE O
E A 0068 TYR N 2.852 E A 0024 ILE O
E A 0068 TYR N 2.261 E A 0067 VAL O
E A 0069 THR N 2.757 E A 0058 ASN O
E A 0069 THR N 2.255 E A 0068 TYR O
E A 0070 PRO N 2.252 E A 0069 THR O
C A 0071 ASN N 2.772 C A 0056 ALA O
C A 0071 ASN N 2.247 E A 0070 PRO O
C A 0072 ILE N 2.264 C A 0071 ASN O
C A 0073 ASP N 2.252 C A 0072 ILE O
C A 0074 GLU N 2.257 C A 0073 ASP O
C A 0075 SER N 2.252 C A 0074 GLU O
C A 0076 ASP N 2.747 C A 0074 GLU O
C A 0076 ASP N 2.250 C A 0075 SER O
C A 0077 TYR N 2.736 C A 0075 SER O
C A 0077 TYR N 2.258 C A 0076 ASP O
C A 0078 ILE N 2.247 C A 0077 TYR O
C A 0079 GLU N 2.246 C A 0078 ILE O
C A 0080 VAL N 3.191 C A 0078 ILE O
C A 0080 VAL N 2.252 C A 0079 GLU O
C A 0081 LYS N 2.243 C A 0080 VAL O
C A 0082 SER N 2.659 C A 0080 VAL O
C A 0082 SER N 2.246 C A 0081 LYS O
HB_MS 2.00 3.20 23
C A 0006 GLN O 2.745 H A 0050 ARG NH2
C A 0006 GLN O 2.993 H A 0054 LYS NZ
C A 0007 ILE O 2.745 C A 0077 TYR OH
C A 0007 ILE N 3.188 C A 0079 GLU OE2
H A 0008 SER N 2.841 H A 0011 GLU OE1
C A 0022 SER O 2.920 C A 0023 SER OG
C A 0023 SER N 2.894 C A 0022 SER OG
H A 0027 ASN N 3.008 E A 0025 ASN OD1
H A 0028 GLU N 2.995 E A 0025 ASN OD1
H A 0030 ILE O 2.714 H A 0034 SER OG
H A 0032 GLU O 2.795 H A 0036 THR OG1
H A 0033 LEU O 3.162 H A 0036 THR OG1
H A 0036 THR O 2.900 H A 0037 SER OG
H A 0040 SER O 2.707 H A 0043 THR OG1
H A 0042 LYS O 2.761 H A 0046 THR OG1
C A 0055 GLY O 2.947 C A 0002 LYS NZ
E A 0058 ASN O 2.719 E A 0069 THR OG1
E A 0066 PHE N 2.816 H A 0026 THR OG1
E A 0066 PHE O 2.897 H A 0026 THR OG1
C A 0072 ILE O 2.833 H A 0019 TRP NE1
C A 0080 VAL O 2.770 C A 0006 GLN NE2
C A 0081 LYS O 2.742 C A 0082 SER OG
C A 0082 SER O 2.669 C A 0006 GLN NE2
HB_SS 2.00 3.20 4
H A 0011 GLU OE1 2.729 H A 0008 SER OG
H A 0028 GLU OE2 2.729 E A 0025 ASN ND2
H A 0028 GLU OE1 2.760 H A 0027 ASN ND2
E A 0058 ASN ND2 2.810 E A 0069 THR OG1
AROMATIC 0.00 8.00 1
E A 0066 PHE 5.053 E A 0068 TYR