Complet list of 1esx con file
Complete list of 1esx.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 357
C A 0001 MET C 2.472 C A 0002 GLU CA
C A 0001 MET C 3.696 C A 0002 GLU C
C A 0001 MET C 3.185 C A 0002 GLU CB
C A 0001 MET C 3.730 C A 0002 GLU CG
C A 0002 GLU C 2.470 C A 0003 GLN CA
C A 0002 GLU C 3.196 C A 0003 GLN C
C A 0002 GLU C 3.683 C A 0003 GLN CB
C A 0003 GLN C 2.484 C A 0004 ALA CA
C A 0003 GLN C 3.680 C A 0004 ALA C
C A 0003 GLN C 3.220 C A 0004 ALA CB
C A 0004 ALA CA 2.954 C A 0005 PRO CD
C A 0004 ALA C 2.461 C A 0005 PRO CA
C A 0004 ALA C 3.058 C A 0005 PRO C
C A 0004 ALA C 3.666 C A 0005 PRO CB
C A 0004 ALA C 3.676 C A 0005 PRO CG
C A 0004 ALA C 2.498 C A 0005 PRO CD
C A 0004 ALA CB 3.533 C A 0005 PRO CD
C A 0005 PRO C 2.476 C A 0006 GLU CA
C A 0005 PRO C 3.703 C A 0006 GLU C
C A 0005 PRO C 3.173 C A 0006 GLU CB
C A 0005 PRO C 3.737 C A 0006 GLU CG
C A 0006 GLU C 2.497 C A 0007 ASP CA
C A 0006 GLU C 3.576 C A 0007 ASP C
C A 0006 GLU C 3.437 C A 0007 ASP CB
C A 0007 ASP C 2.461 C A 0008 GLN CA
C A 0007 ASP C 3.684 C A 0008 GLN C
C A 0007 ASP C 3.182 C A 0008 GLN CB
C A 0007 ASP CB 3.557 H A 0016 ASN CG
C A 0007 ASP CG 3.790 H A 0017 ASP CG
C A 0008 GLN C 2.464 C A 0009 GLY CA
C A 0008 GLN C 3.658 C A 0009 GLY C
C A 0009 GLY CA 2.921 C A 0010 PRO CD
C A 0009 GLY C 2.465 C A 0010 PRO CA
C A 0009 GLY C 2.952 C A 0010 PRO C
C A 0009 GLY C 3.685 C A 0010 PRO CB
C A 0009 GLY C 3.680 C A 0010 PRO CG
C A 0009 GLY C 2.492 C A 0010 PRO CD
C A 0010 PRO CA 3.789 C A 0011 GLN CA
C A 0010 PRO C 2.457 C A 0011 GLN CA
C A 0010 PRO C 3.035 C A 0011 GLN C
C A 0010 PRO C 3.715 C A 0011 GLN CB
C A 0011 GLN C 2.466 C A 0012 ARG CA
C A 0011 GLN C 3.673 C A 0012 ARG C
C A 0011 GLN C 3.182 C A 0012 ARG CB
C A 0012 ARG C 2.460 C A 0013 GLU CA
C A 0012 ARG C 3.226 C A 0013 GLU C
C A 0012 ARG C 3.683 C A 0013 GLU CB
C A 0012 ARG CZ 3.732 H A 0017 ASP CB
C A 0013 GLU CA 2.883 C A 0014 PRO CD
C A 0013 GLU C 2.536 C A 0014 PRO CA
C A 0013 GLU C 3.277 C A 0014 PRO C
C A 0013 GLU C 3.721 C A 0014 PRO CB
C A 0013 GLU C 3.629 C A 0014 PRO CG
C A 0013 GLU C 2.432 C A 0014 PRO CD
C A 0013 GLU CB 3.431 C A 0014 PRO CD
C A 0013 GLU CG 3.344 H A 0016 ASN CG
C A 0014 PRO C 2.511 C A 0015 TYR CA
C A 0014 PRO C 3.565 C A 0015 TYR C
C A 0014 PRO C 3.356 C A 0015 TYR CB
C A 0014 PRO C 3.294 C A 0015 TYR CG
C A 0014 PRO C 3.368 C A 0015 TYR CD2
C A 0015 TYR C 2.439 H A 0016 ASN CA
C A 0015 TYR C 2.966 H A 0016 ASN C
C A 0015 TYR C 3.061 H A 0016 ASN CB
H A 0016 ASN C 2.474 H A 0017 ASP CA
H A 0016 ASN C 3.103 H A 0017 ASP C
H A 0016 ASN C 3.713 H A 0017 ASP CB
H A 0017 ASP C 2.451 H A 0018 TRP CA
H A 0017 ASP C 2.983 H A 0018 TRP C
H A 0017 ASP C 3.750 H A 0018 TRP CB
H A 0018 TRP CA 3.777 H A 0019 THR CA
H A 0018 TRP C 2.445 H A 0019 THR CA
H A 0018 TRP C 3.005 H A 0019 THR C
H A 0018 TRP C 3.718 H A 0019 THR CB
H A 0019 THR C 2.434 H A 0020 LEU CA
H A 0019 THR C 2.953 H A 0020 LEU C
H A 0019 THR C 3.754 H A 0020 LEU CB
H A 0020 LEU C 2.446 H A 0021 GLU CA
H A 0020 LEU C 2.990 H A 0021 GLU C
H A 0020 LEU C 3.707 H A 0021 GLU CB
H A 0021 GLU C 2.447 H A 0022 LEU CA
H A 0021 GLU C 3.097 H A 0022 LEU C
H A 0021 GLU C 3.668 H A 0022 LEU CB
H A 0022 LEU C 2.469 H A 0023 LEU CA
H A 0022 LEU C 3.132 H A 0023 LEU C
H A 0022 LEU C 3.705 H A 0023 LEU CB
H A 0023 LEU C 2.477 H A 0024 GLU CA
H A 0023 LEU C 3.081 H A 0024 GLU C
H A 0023 LEU C 3.693 H A 0024 GLU CB
H A 0024 GLU C 2.468 H A 0025 GLU CA
H A 0024 GLU C 3.057 H A 0025 GLU C
H A 0024 GLU C 3.720 H A 0025 GLU CB
H A 0025 GLU C 2.463 H A 0026 LEU CA
H A 0025 GLU C 2.991 H A 0026 LEU C
H A 0025 GLU C 3.728 H A 0026 LEU CB
H A 0026 LEU C 2.462 H A 0027 LYS CA
H A 0026 LEU C 3.049 H A 0027 LYS C
H A 0026 LEU C 3.729 H A 0027 LYS CB
H A 0027 LYS C 2.471 H A 0028 ASN CA
H A 0027 LYS C 3.000 H A 0028 ASN C
H A 0027 LYS C 3.722 H A 0028 ASN CB
H A 0028 ASN C 2.458 H A 0029 GLU CA
H A 0028 ASN C 3.025 H A 0029 GLU C
H A 0028 ASN C 3.710 H A 0029 GLU CB
H A 0029 GLU C 2.467 H A 0030 ALA CA
H A 0029 GLU C 3.045 H A 0030 ALA C
H A 0029 GLU C 3.727 H A 0030 ALA CB
H A 0030 ALA C 2.450 H A 0031 VAL CA
H A 0030 ALA C 3.133 H A 0031 VAL C
H A 0030 ALA C 3.714 H A 0031 VAL CB
H A 0031 VAL C 2.467 H A 0032 ARG CA
H A 0031 VAL C 3.036 H A 0032 ARG C
H A 0031 VAL C 3.729 H A 0032 ARG CB
H A 0032 ARG C 2.497 H A 0033 HIS CA
H A 0032 ARG C 3.176 H A 0033 HIS C
H A 0032 ARG C 3.700 H A 0033 HIS CB
H A 0032 ARG C 3.674 C A 0035 PRO CD
H A 0033 HIS C 2.469 C A 0034 PHE CA
H A 0033 HIS C 3.318 C A 0034 PHE C
H A 0033 HIS C 3.719 C A 0034 PHE CB
H A 0033 HIS C 3.158 C A 0035 PRO CD
C A 0034 PHE CA 2.825 C A 0035 PRO CD
C A 0034 PHE C 2.483 C A 0035 PRO CA
C A 0034 PHE C 3.275 C A 0035 PRO C
C A 0034 PHE C 3.584 C A 0035 PRO CB
C A 0034 PHE C 3.633 C A 0035 PRO CG
C A 0034 PHE C 2.388 C A 0035 PRO CD
C A 0034 PHE CB 3.782 C A 0035 PRO CD
C A 0035 PRO C 2.490 C A 0036 ARG CA
C A 0035 PRO C 3.373 C A 0036 ARG C
C A 0035 PRO C 3.626 C A 0036 ARG CB
C A 0036 ARG C 2.527 C A 0037 ILE CA
C A 0036 ARG C 2.962 C A 0037 ILE C
C A 0036 ARG C 3.673 C A 0037 ILE CB
C A 0037 ILE CA 3.728 H A 0038 TRP CA
C A 0037 ILE C 2.476 H A 0038 TRP CA
C A 0037 ILE C 3.641 H A 0038 TRP C
C A 0037 ILE C 3.264 H A 0038 TRP CB
H A 0038 TRP C 2.516 H A 0039 LEU CA
H A 0038 TRP C 3.007 H A 0039 LEU C
H A 0038 TRP C 3.759 H A 0039 LEU CB
H A 0038 TRP C 3.784 H A 0042 LEU CB
H A 0038 TRP CE2 3.739 H A 0042 LEU CG
H A 0038 TRP CE2 3.699 H A 0042 LEU CD2
H A 0038 TRP CZ2 3.740 H A 0042 LEU CG
H A 0038 TRP CZ2 3.729 H A 0042 LEU CD2
H A 0039 LEU C 2.499 H A 0040 HIS CA
H A 0039 LEU C 2.983 H A 0040 HIS C
H A 0039 LEU C 3.684 H A 0040 HIS CB
H A 0040 HIS C 2.475 H A 0041 SER CA
H A 0040 HIS C 3.332 H A 0041 SER C
H A 0040 HIS C 3.629 H A 0041 SER CB
H A 0041 SER C 2.481 H A 0042 LEU CA
H A 0041 SER C 3.027 H A 0042 LEU C
H A 0041 SER C 3.675 H A 0042 LEU CB
H A 0042 LEU C 2.465 H A 0043 GLY CA
H A 0042 LEU C 3.035 H A 0043 GLY C
H A 0043 GLY C 2.468 H A 0044 GLN CA
H A 0043 GLY C 3.019 H A 0044 GLN C
H A 0043 GLY C 3.721 H A 0044 GLN CB
H A 0044 GLN C 2.470 H A 0045 HIS CA
H A 0044 GLN C 3.042 H A 0045 HIS C
H A 0044 GLN C 3.736 H A 0045 HIS CB
H A 0045 HIS CA 3.797 H A 0046 ILE CA
H A 0045 HIS C 2.456 H A 0046 ILE CA
H A 0045 HIS C 3.006 H A 0046 ILE C
H A 0045 HIS C 3.747 H A 0046 ILE CB
H A 0046 ILE CA 3.794 H A 0047 TYR CA
H A 0046 ILE C 2.474 H A 0047 TYR CA
H A 0046 ILE C 2.999 H A 0047 TYR C
H A 0046 ILE C 3.725 H A 0047 TYR CB
H A 0046 ILE CA 3.739 H A 0050 TYR CB
H A 0046 ILE CG1 3.408 H A 0050 TYR CB
H A 0047 TYR C 2.462 H A 0048 GLU CA
H A 0047 TYR C 3.114 H A 0048 GLU C
H A 0047 TYR C 3.641 H A 0048 GLU CB
H A 0047 TYR CE1 3.785 H A 0063 ILE CD1
H A 0047 TYR CE2 3.480 H A 0063 ILE CD1
H A 0047 TYR CZ 3.684 H A 0063 ILE CG1
H A 0047 TYR CZ 3.452 H A 0063 ILE CD1
H A 0048 GLU C 2.478 H A 0049 THR CA
H A 0048 GLU C 3.642 H A 0049 THR C
H A 0048 GLU C 3.341 H A 0049 THR CB
H A 0048 GLU C 3.403 H A 0049 THR CG2
H A 0049 THR C 2.446 H A 0050 TYR CA
H A 0049 THR C 3.202 H A 0050 TYR C
H A 0049 THR C 3.679 H A 0050 TYR CB
H A 0049 THR CA 3.645 H A 0056 GLY CA
H A 0050 TYR C 2.461 C A 0051 GLY CA
H A 0050 TYR C 3.302 C A 0051 GLY C
H A 0050 TYR CD2 3.589 H A 0055 THR CG2
H A 0050 TYR CE2 3.272 H A 0055 THR CG2
H A 0050 TYR CZ 3.689 H A 0055 THR CG2
C A 0051 GLY C 2.503 C A 0052 ASP CA
C A 0051 GLY C 3.100 C A 0052 ASP C
C A 0051 GLY C 3.151 C A 0052 ASP CB
C A 0052 ASP C 2.462 C A 0053 THR CA
C A 0052 ASP C 3.646 C A 0053 THR C
C A 0052 ASP C 3.231 C A 0053 THR CB
C A 0052 ASP C 3.751 H A 0057 VAL CG2
C A 0053 THR C 2.508 C A 0054 TRP CA
C A 0053 THR C 3.004 C A 0054 TRP C
C A 0053 THR C 3.308 C A 0054 TRP CB
C A 0053 THR C 3.242 C A 0054 TRP CG
C A 0053 THR C 3.757 C A 0054 TRP CD1
C A 0053 THR C 3.522 C A 0054 TRP CD2
C A 0053 THR CG2 3.765 C A 0054 TRP CD2
C A 0053 THR CG2 3.717 C A 0054 TRP CE2
C A 0053 THR CG2 3.748 C A 0054 TRP CE3
C A 0053 THR CG2 3.713 C A 0054 TRP CZ2
C A 0053 THR CG2 3.734 C A 0054 TRP CZ3
C A 0053 THR CG2 3.722 C A 0054 TRP CH2
C A 0054 TRP CA 3.777 H A 0055 THR CA
C A 0054 TRP C 2.495 H A 0055 THR CA
C A 0054 TRP C 3.596 H A 0055 THR C
C A 0054 TRP C 3.302 H A 0055 THR CB
C A 0054 TRP C 3.444 H A 0058 GLU CG
H A 0055 THR CA 3.792 H A 0056 GLY CA
H A 0055 THR C 2.430 H A 0056 GLY CA
H A 0055 THR C 3.193 H A 0056 GLY C
H A 0056 GLY C 2.454 H A 0057 VAL CA
H A 0056 GLY C 2.965 H A 0057 VAL C
H A 0056 GLY C 3.736 H A 0057 VAL CB
H A 0057 VAL C 2.453 H A 0058 GLU CA
H A 0057 VAL C 3.065 H A 0058 GLU C
H A 0057 VAL C 3.642 H A 0058 GLU CB
H A 0058 GLU C 2.449 H A 0059 ALA CA
H A 0058 GLU C 3.035 H A 0059 ALA C
H A 0058 GLU C 3.732 H A 0059 ALA CB
H A 0059 ALA C 2.466 H A 0060 LEU CA
H A 0059 ALA C 3.047 H A 0060 LEU C
H A 0059 ALA C 3.728 H A 0060 LEU CB
H A 0060 LEU C 2.461 H A 0061 ILE CA
H A 0060 LEU C 3.030 H A 0061 ILE C
H A 0060 LEU C 3.738 H A 0061 ILE CB
H A 0061 ILE C 2.454 H A 0062 ARG CA
H A 0061 ILE C 3.057 H A 0062 ARG C
H A 0061 ILE C 3.745 H A 0062 ARG CB
H A 0062 ARG C 2.451 H A 0063 ILE CA
H A 0062 ARG C 3.012 H A 0063 ILE C
H A 0062 ARG C 3.748 H A 0063 ILE CB
H A 0063 ILE C 2.446 H A 0064 LEU CA
H A 0063 ILE C 3.033 H A 0064 LEU C
H A 0063 ILE C 3.715 H A 0064 LEU CB
H A 0064 LEU C 2.471 H A 0065 GLN CA
H A 0064 LEU C 3.094 H A 0065 GLN C
H A 0064 LEU C 3.707 H A 0065 GLN CB
H A 0065 GLN CA 3.789 H A 0066 GLN CA
H A 0065 GLN C 2.466 H A 0066 GLN CA
H A 0065 GLN C 2.974 H A 0066 GLN C
H A 0065 GLN C 3.679 H A 0066 GLN CB
H A 0066 GLN CA 3.797 H A 0067 LEU CA
H A 0066 GLN C 2.459 H A 0067 LEU CA
H A 0066 GLN C 3.036 H A 0067 LEU C
H A 0066 GLN C 3.712 H A 0067 LEU CB
H A 0067 LEU CA 3.800 H A 0068 LEU CA
H A 0067 LEU C 2.472 H A 0068 LEU CA
H A 0067 LEU C 3.010 H A 0068 LEU C
H A 0067 LEU C 3.646 H A 0068 LEU CB
H A 0067 LEU C 3.672 H A 0071 HIS CD2
H A 0068 LEU C 2.463 H A 0069 PHE CA
H A 0068 LEU C 2.996 H A 0069 PHE C
H A 0068 LEU C 3.737 H A 0069 PHE CB
H A 0069 PHE C 2.441 H A 0070 ILE CA
H A 0069 PHE C 3.013 H A 0070 ILE C
H A 0069 PHE C 3.723 H A 0070 ILE CB
H A 0070 ILE C 2.456 H A 0071 HIS CA
H A 0070 ILE C 3.039 H A 0071 HIS C
H A 0070 ILE C 3.733 H A 0071 HIS CB
H A 0071 HIS C 2.474 H A 0072 PHE CA
H A 0071 HIS C 3.028 H A 0072 PHE C
H A 0071 HIS C 3.724 H A 0072 PHE CB
H A 0072 PHE C 2.461 H A 0073 ARG CA
H A 0072 PHE C 3.012 H A 0073 ARG C
H A 0072 PHE C 3.731 H A 0073 ARG CB
H A 0073 ARG C 2.466 H A 0074 ILE CA
H A 0073 ARG C 3.042 H A 0074 ILE C
H A 0073 ARG C 3.732 H A 0074 ILE CB
H A 0074 ILE C 2.462 H A 0075 GLY CA
H A 0074 ILE C 3.027 H A 0075 GLY C
H A 0074 ILE CG2 3.678 H A 0078 HIS CD2
H A 0075 GLY C 2.469 H A 0076 CYS CA
H A 0075 GLY C 3.091 H A 0076 CYS C
H A 0075 GLY C 3.719 H A 0076 CYS CB
H A 0076 CYS C 2.451 H A 0077 ARG CA
H A 0076 CYS C 2.938 H A 0077 ARG C
H A 0076 CYS C 3.729 H A 0077 ARG CB
H A 0077 ARG C 2.466 H A 0078 HIS CA
H A 0077 ARG C 3.293 H A 0078 HIS C
H A 0077 ARG C 3.626 H A 0078 HIS CB
H A 0078 HIS C 2.471 H A 0079 SER CA
H A 0078 HIS C 3.698 H A 0079 SER C
H A 0078 HIS C 3.161 H A 0079 SER CB
H A 0079 SER C 2.464 H A 0080 ARG CA
H A 0079 SER C 3.131 H A 0080 ARG C
H A 0079 SER C 3.730 H A 0080 ARG CB
H A 0080 ARG C 2.467 H A 0081 ILE CA
H A 0080 ARG C 3.180 H A 0081 ILE C
H A 0080 ARG C 3.720 H A 0081 ILE CB
H A 0081 ILE C 2.455 C A 0082 GLY CA
H A 0081 ILE C 3.694 C A 0082 GLY C
C A 0082 GLY C 2.476 C A 0083 ILE CA
C A 0082 GLY C 2.991 C A 0083 ILE C
C A 0082 GLY C 3.740 C A 0083 ILE CB
C A 0083 ILE C 2.486 C A 0084 ILE CA
C A 0083 ILE C 3.406 C A 0084 ILE C
C A 0083 ILE C 3.600 C A 0084 ILE CB
C A 0083 ILE C 3.593 C A 0084 ILE CG1
C A 0083 ILE CA 3.778 C A 0089 THR CG2
C A 0084 ILE C 2.486 C A 0085 GLN CA
C A 0084 ILE C 3.132 C A 0085 GLN C
C A 0084 ILE C 3.731 C A 0085 GLN CB
C A 0085 GLN CA 3.785 C A 0086 GLN CA
C A 0085 GLN C 2.498 C A 0086 GLN CA
C A 0085 GLN C 2.976 C A 0086 GLN C
C A 0085 GLN C 3.080 C A 0086 GLN CB
C A 0085 GLN C 3.583 C A 0086 GLN CG
C A 0085 GLN CA 3.720 C A 0088 ARG CB
C A 0085 GLN C 3.683 C A 0088 ARG CB
C A 0085 GLN CB 3.505 C A 0088 ARG CB
C A 0086 GLN CA 3.715 C A 0087 ARG CA
C A 0086 GLN C 2.531 C A 0087 ARG CA
C A 0086 GLN C 3.061 C A 0087 ARG C
C A 0086 GLN C 3.389 C A 0087 ARG CB
C A 0086 GLN C 3.680 C A 0087 ARG CG
C A 0087 ARG CA 3.790 C A 0088 ARG CA
C A 0087 ARG C 2.507 C A 0088 ARG CA
C A 0087 ARG C 3.027 C A 0088 ARG C
C A 0087 ARG C 3.721 C A 0088 ARG CB
C A 0087 ARG CD 3.777 C A 0093 ALA C
C A 0087 ARG CZ 3.642 C A 0096 SER C
C A 0088 ARG C 2.465 C A 0089 THR CA
C A 0088 ARG C 3.383 C A 0089 THR C
C A 0088 ARG C 3.585 C A 0089 THR CB
C A 0088 ARG C 3.630 C A 0089 THR CG2
C A 0088 ARG CG 3.730 C A 0089 THR CG2
C A 0089 THR C 2.465 C A 0090 ARG CA
C A 0089 THR C 3.172 C A 0090 ARG C
C A 0089 THR C 3.696 C A 0090 ARG CB
C A 0090 ARG C 2.476 C A 0091 ASN CA
C A 0090 ARG C 3.225 C A 0091 ASN C
C A 0090 ARG C 3.688 C A 0091 ASN CB
C A 0091 ASN C 2.466 C A 0092 GLY CA
C A 0091 ASN C 3.164 C A 0092 GLY C
C A 0092 GLY C 2.469 C A 0093 ALA CA
C A 0092 GLY C 3.151 C A 0093 ALA C
C A 0092 GLY C 3.699 C A 0093 ALA CB
C A 0093 ALA C 2.505 C A 0094 SER CA
C A 0093 ALA C 3.111 C A 0094 SER C
C A 0093 ALA C 3.736 C A 0094 SER CB
C A 0094 SER C 2.488 C A 0095 LYS CA
C A 0094 SER C 3.603 C A 0095 LYS C
C A 0094 SER C 3.379 C A 0095 LYS CB
C A 0094 SER C 3.401 C A 0095 LYS CG
C A 0095 LYS C 2.482 C A 0096 SER CA
C A 0095 LYS C 3.689 C A 0096 SER C
C A 0095 LYS C 3.169 C A 0096 SER CB
CHARGE_ATTR 2.00 12.00 44
C A 0002 GLU OE1 10.35 C A 0012 ARG NH1
C A 0002 GLU OE1 10.78 C A 0012 ARG NH2
C A 0002 GLU OE2 10.25 C A 0012 ARG NH1
C A 0002 GLU OE2 10.50 C A 0012 ARG NH2
C A 0007 ASP OD1 7.457 C A 0012 ARG NH1
C A 0007 ASP OD1 7.972 C A 0012 ARG NH2
C A 0007 ASP OD2 6.591 C A 0012 ARG NH1
C A 0007 ASP OD2 7.170 C A 0012 ARG NH2
C A 0013 GLU OE1 11.33 C A 0012 ARG NH1
C A 0013 GLU OE1 10.33 C A 0012 ARG NH2
C A 0013 GLU OE2 11.48 C A 0012 ARG NH2
H A 0017 ASP OD1 4.368 C A 0012 ARG NH1
H A 0017 ASP OD1 5.021 C A 0012 ARG NH2
H A 0017 ASP OD2 5.948 C A 0012 ARG NH1
H A 0017 ASP OD2 6.269 C A 0012 ARG NH2
H A 0021 GLU OE1 3.998 C A 0012 ARG NH1
H A 0021 GLU OE1 2.900 C A 0012 ARG NH2
H A 0021 GLU OE2 5.878 C A 0012 ARG NH1
H A 0021 GLU OE2 4.890 C A 0012 ARG NH2
H A 0024 GLU OE1 8.555 H A 0027 LYS NZ
H A 0024 GLU OE2 9.094 H A 0027 LYS NZ
H A 0025 GLU OE2 10.88 C A 0012 ARG NH2
H A 0029 GLU OE2 10.95 H A 0027 LYS NZ
H A 0029 GLU OE1 11.96 H A 0032 ARG NH2
H A 0029 GLU OE1 7.773 H A 0033 HIS ND1
H A 0029 GLU OE1 8.372 H A 0033 HIS NE2
H A 0029 GLU OE2 7.695 H A 0033 HIS ND1
H A 0029 GLU OE2 7.775 H A 0033 HIS NE2
H A 0029 GLU OE1 11.10 H A 0040 HIS ND1
H A 0029 GLU OE1 9.393 H A 0040 HIS NE2
H A 0029 GLU OE2 9.892 H A 0040 HIS ND1
H A 0029 GLU OE2 8.015 H A 0040 HIS NE2
H A 0048 GLU OE2 11.23 H A 0040 HIS ND1
H A 0048 GLU OE2 11.80 H A 0040 HIS NE2
H A 0048 GLU OE1 5.697 H A 0045 HIS ND1
H A 0048 GLU OE1 7.687 H A 0045 HIS NE2
H A 0048 GLU OE2 6.992 H A 0045 HIS ND1
H A 0048 GLU OE2 9.082 H A 0045 HIS NE2
C A 0052 ASP OD1 6.413 H A 0045 HIS ND1
C A 0052 ASP OD1 6.716 H A 0045 HIS NE2
C A 0052 ASP OD2 8.311 H A 0045 HIS ND1
C A 0052 ASP OD2 8.220 H A 0045 HIS NE2
H A 0058 GLU OE2 10.99 H A 0062 ARG NH1
H A 0058 GLU OE2 10.75 H A 0062 ARG NH2
CHARGE_REPU 2.00 12.00 113
C A 0002 GLU OE1 9.280 C A 0006 GLU OE1
C A 0002 GLU OE1 9.609 C A 0006 GLU OE2
C A 0002 GLU OE2 10.76 C A 0006 GLU OE1
C A 0002 GLU OE2 11.18 C A 0006 GLU OE2
C A 0002 GLU OE1 7.377 C A 0007 ASP OD1
C A 0002 GLU OE1 5.490 C A 0007 ASP OD2
C A 0002 GLU OE2 8.875 C A 0007 ASP OD1
C A 0002 GLU OE2 6.741 C A 0007 ASP OD2
C A 0002 GLU OE1 6.718 C A 0013 GLU OE1
C A 0002 GLU OE1 5.742 C A 0013 GLU OE2
C A 0002 GLU OE2 6.526 C A 0013 GLU OE1
C A 0002 GLU OE2 5.190 C A 0013 GLU OE2
C A 0002 GLU OE1 8.047 H A 0017 ASP OD1
C A 0002 GLU OE1 9.581 H A 0017 ASP OD2
C A 0002 GLU OE2 8.842 H A 0017 ASP OD1
C A 0002 GLU OE2 10.65 H A 0017 ASP OD2
C A 0006 GLU OE1 6.894 C A 0007 ASP OD1
C A 0006 GLU OE1 7.670 C A 0007 ASP OD2
C A 0006 GLU OE2 8.576 C A 0007 ASP OD1
C A 0006 GLU OE2 9.145 C A 0007 ASP OD2
C A 0006 GLU OE1 7.170 C A 0013 GLU OE1
C A 0006 GLU OE1 8.570 C A 0013 GLU OE2
C A 0006 GLU OE2 7.818 C A 0013 GLU OE1
C A 0006 GLU OE2 8.779 C A 0013 GLU OE2
C A 0006 GLU OE1 9.147 H A 0017 ASP OD1
C A 0006 GLU OE1 8.424 H A 0017 ASP OD2
C A 0006 GLU OE2 11.01 H A 0017 ASP OD1
C A 0006 GLU OE2 10.46 H A 0017 ASP OD2
C A 0007 ASP OD1 8.982 C A 0013 GLU OE1
C A 0007 ASP OD1 9.976 C A 0013 GLU OE2
C A 0007 ASP OD2 7.811 C A 0013 GLU OE1
C A 0007 ASP OD2 8.471 C A 0013 GLU OE2
C A 0007 ASP OD1 3.100 H A 0017 ASP OD1
C A 0007 ASP OD1 2.860 H A 0017 ASP OD2
C A 0007 ASP OD2 2.856 H A 0017 ASP OD1
C A 0007 ASP OD2 4.126 H A 0017 ASP OD2
C A 0007 ASP OD1 9.370 H A 0021 GLU OE1
C A 0007 ASP OD1 11.62 H A 0021 GLU OE2
C A 0007 ASP OD2 9.182 H A 0021 GLU OE1
C A 0007 ASP OD2 11.47 H A 0021 GLU OE2
C A 0013 GLU OE1 9.303 H A 0017 ASP OD1
C A 0013 GLU OE1 10.14 H A 0017 ASP OD2
C A 0013 GLU OE2 10.34 H A 0017 ASP OD1
C A 0013 GLU OE2 11.48 H A 0017 ASP OD2
H A 0017 ASP OD1 6.557 H A 0021 GLU OE1
H A 0017 ASP OD1 8.821 H A 0021 GLU OE2
H A 0017 ASP OD2 6.968 H A 0021 GLU OE1
H A 0017 ASP OD2 9.109 H A 0021 GLU OE2
H A 0017 ASP OD2 10.99 H A 0024 GLU OE2
H A 0021 GLU OE1 10.23 H A 0024 GLU OE1
H A 0021 GLU OE1 10.10 H A 0024 GLU OE2
H A 0021 GLU OE2 9.612 H A 0024 GLU OE1
H A 0021 GLU OE2 10.00 H A 0024 GLU OE2
H A 0021 GLU OE1 10.79 H A 0025 GLU OE1
H A 0021 GLU OE1 9.003 H A 0025 GLU OE2
H A 0021 GLU OE2 9.379 H A 0025 GLU OE1
H A 0021 GLU OE2 7.355 H A 0025 GLU OE2
H A 0024 GLU OE1 10.96 H A 0025 GLU OE1
H A 0024 GLU OE1 10.10 H A 0025 GLU OE2
H A 0024 GLU OE2 11.50 H A 0025 GLU OE2
H A 0025 GLU OE1 6.317 H A 0029 GLU OE1
H A 0025 GLU OE1 6.692 H A 0029 GLU OE2
H A 0025 GLU OE2 8.166 H A 0029 GLU OE1
H A 0025 GLU OE2 8.618 H A 0029 GLU OE2
H A 0032 ARG NH1 9.978 H A 0033 HIS ND1
H A 0032 ARG NH2 10.28 H A 0033 HIS ND1
H A 0033 HIS ND1 8.584 C A 0036 ARG NH1
H A 0033 HIS ND1 8.595 C A 0036 ARG NH2
H A 0033 HIS NE2 9.430 C A 0036 ARG NH1
H A 0033 HIS NE2 8.954 C A 0036 ARG NH2
H A 0033 HIS ND1 6.977 H A 0040 HIS ND1
H A 0033 HIS ND1 6.931 H A 0040 HIS NE2
H A 0033 HIS NE2 4.767 H A 0040 HIS ND1
H A 0033 HIS NE2 4.877 H A 0040 HIS NE2
C A 0036 ARG NH2 11.08 H A 0040 HIS ND1
H A 0040 HIS ND1 11.12 H A 0045 HIS ND1
H A 0048 GLU OE1 6.233 C A 0052 ASP OD1
H A 0048 GLU OE1 8.376 C A 0052 ASP OD2
H A 0048 GLU OE2 8.334 C A 0052 ASP OD1
H A 0048 GLU OE2 10.51 C A 0052 ASP OD2
C A 0052 ASP OD1 11.86 H A 0058 GLU OE1
C A 0052 ASP OD2 11.73 H A 0058 GLU OE1
H A 0071 HIS ND1 9.434 H A 0073 ARG NH1
H A 0071 HIS ND1 7.784 H A 0073 ARG NH2
H A 0071 HIS NE2 11.41 H A 0073 ARG NH1
H A 0071 HIS NE2 9.616 H A 0073 ARG NH2
H A 0071 HIS ND1 10.63 H A 0078 HIS NE2
H A 0073 ARG NH1 7.146 H A 0077 ARG NH1
H A 0073 ARG NH1 8.420 H A 0077 ARG NH2
H A 0073 ARG NH2 9.180 H A 0077 ARG NH1
H A 0073 ARG NH2 10.14 H A 0077 ARG NH2
H A 0073 ARG NH1 8.980 H A 0078 HIS ND1
H A 0073 ARG NH1 8.239 H A 0078 HIS NE2
H A 0073 ARG NH2 10.22 H A 0078 HIS ND1
H A 0073 ARG NH2 9.047 H A 0078 HIS NE2
H A 0077 ARG NH1 6.211 H A 0078 HIS ND1
H A 0077 ARG NH1 6.964 H A 0078 HIS NE2
H A 0077 ARG NH2 5.849 H A 0078 HIS ND1
H A 0077 ARG NH2 6.410 H A 0078 HIS NE2
H A 0078 HIS ND1 8.766 C A 0088 ARG NH1
H A 0078 HIS ND1 6.935 C A 0088 ARG NH2
H A 0078 HIS NE2 9.995 C A 0088 ARG NH1
H A 0078 HIS NE2 8.092 C A 0088 ARG NH2
H A 0080 ARG NH1 11.64 C A 0090 ARG NH1
H A 0080 ARG NH1 9.976 C A 0090 ARG NH2
H A 0080 ARG NH2 11.55 C A 0090 ARG NH1
H A 0080 ARG NH2 10.18 C A 0090 ARG NH2
C A 0087 ARG NH1 7.174 C A 0090 ARG NH1
C A 0087 ARG NH1 8.937 C A 0090 ARG NH2
C A 0087 ARG NH2 9.341 C A 0090 ARG NH1
C A 0087 ARG NH2 10.98 C A 0090 ARG NH2
C A 0087 ARG NH1 11.35 C A 0095 LYS NZ
C A 0087 ARG NH2 9.925 C A 0095 LYS NZ
HB_MM 2.00 3.20 174
C A 0002 GLU N 2.260 C A 0001 MET O
C A 0003 GLN N 2.259 C A 0002 GLU O
C A 0004 ALA N 2.920 C A 0002 GLU O
C A 0004 ALA N 2.260 C A 0003 GLN O
C A 0005 PRO N 2.252 C A 0004 ALA O
C A 0006 GLU N 2.257 C A 0005 PRO O
C A 0007 ASP N 2.265 C A 0006 GLU O
C A 0008 GLN N 2.259 C A 0007 ASP O
C A 0009 GLY N 2.256 C A 0008 GLN O
C A 0009 GLY N 3.192 C A 0011 GLN O
C A 0010 PRO N 2.263 C A 0009 GLY O
C A 0011 GLN N 2.263 C A 0010 PRO O
C A 0012 ARG N 2.262 C A 0011 GLN O
C A 0013 GLU N 2.257 C A 0012 ARG O
C A 0014 PRO N 2.264 C A 0013 GLU O
C A 0015 TYR N 2.774 C A 0013 GLU O
C A 0015 TYR N 2.249 C A 0014 PRO O
H A 0016 ASN N 2.241 C A 0015 TYR O
H A 0017 ASP N 3.168 C A 0015 TYR O
H A 0017 ASP N 2.247 H A 0016 ASN O
H A 0018 TRP N 2.885 C A 0015 TYR O
H A 0018 TRP N 2.258 H A 0017 ASP O
H A 0019 THR N 3.065 H A 0016 ASN O
H A 0019 THR N 2.248 H A 0018 TRP O
H A 0020 LEU N 2.255 H A 0019 THR O
H A 0021 GLU N 3.064 H A 0017 ASP O
H A 0021 GLU N 3.114 H A 0018 TRP O
H A 0021 GLU N 2.249 H A 0020 LEU O
H A 0022 LEU N 2.735 H A 0018 TRP O
H A 0022 LEU N 3.163 H A 0019 THR O
H A 0022 LEU N 3.199 H A 0020 LEU O
H A 0022 LEU N 2.249 H A 0021 GLU O
H A 0023 LEU N 2.882 H A 0019 THR O
H A 0023 LEU N 2.982 H A 0020 LEU O
H A 0023 LEU N 2.254 H A 0022 LEU O
H A 0024 GLU N 2.732 H A 0020 LEU O
H A 0024 GLU N 2.251 H A 0023 LEU O
H A 0025 GLU N 2.853 H A 0021 GLU O
H A 0025 GLU N 2.253 H A 0024 GLU O
H A 0026 LEU N 2.997 H A 0022 LEU O
H A 0026 LEU N 2.257 H A 0025 GLU O
H A 0027 LYS N 2.869 H A 0023 LEU O
H A 0027 LYS N 2.247 H A 0026 LEU O
H A 0028 ASN N 2.899 H A 0024 GLU O
H A 0028 ASN N 2.252 H A 0027 LYS O
H A 0029 GLU N 2.959 H A 0025 GLU O
H A 0029 GLU N 2.256 H A 0028 ASN O
H A 0030 ALA N 2.842 H A 0026 LEU O
H A 0030 ALA N 2.259 H A 0029 GLU O
H A 0031 VAL N 2.857 H A 0027 LYS O
H A 0031 VAL N 2.254 H A 0030 ALA O
H A 0032 ARG N 3.162 H A 0028 ASN O
H A 0032 ARG N 2.255 H A 0031 VAL O
H A 0033 HIS N 2.842 H A 0029 GLU O
H A 0033 HIS N 2.253 H A 0032 ARG O
C A 0034 PHE N 3.062 H A 0030 ALA O
C A 0034 PHE N 3.182 H A 0031 VAL O
C A 0034 PHE N 2.256 H A 0033 HIS O
C A 0035 PRO N 2.224 C A 0034 PHE O
C A 0036 ARG N 3.154 H A 0033 HIS O
C A 0036 ARG N 2.259 C A 0035 PRO O
C A 0037 ILE N 2.980 H A 0033 HIS O
C A 0037 ILE N 2.280 C A 0036 ARG O
H A 0038 TRP N 2.272 C A 0037 ILE O
H A 0039 LEU N 2.269 H A 0038 TRP O
H A 0040 HIS N 2.933 H A 0038 TRP O
H A 0040 HIS N 2.267 H A 0039 LEU O
H A 0041 SER N 2.838 H A 0038 TRP O
H A 0041 SER N 2.258 H A 0040 HIS O
H A 0042 LEU N 2.850 H A 0038 TRP O
H A 0042 LEU N 2.248 H A 0041 SER O
H A 0043 GLY N 2.953 H A 0039 LEU O
H A 0043 GLY N 2.257 H A 0042 LEU O
H A 0044 GLN N 2.259 H A 0043 GLY O
H A 0045 HIS N 2.814 H A 0041 SER O
H A 0045 HIS N 2.254 H A 0044 GLN O
H A 0046 ILE N 3.005 H A 0042 LEU O
H A 0046 ILE N 2.261 H A 0045 HIS O
H A 0047 TYR N 3.032 H A 0043 GLY O
H A 0047 TYR N 2.261 H A 0046 ILE O
H A 0048 GLU N 2.986 H A 0044 GLN O
H A 0048 GLU N 3.144 H A 0045 HIS O
H A 0048 GLU N 2.255 H A 0047 TYR O
H A 0049 THR N 2.801 H A 0045 HIS O
H A 0049 THR N 2.256 H A 0048 GLU O
H A 0050 TYR N 2.250 H A 0049 THR O
C A 0051 GLY N 2.257 H A 0050 TYR O
C A 0052 ASP N 2.261 C A 0051 GLY O
C A 0053 THR N 3.151 C A 0051 GLY O
C A 0053 THR N 2.252 C A 0052 ASP O
C A 0054 TRP N 2.267 C A 0053 THR O
H A 0055 THR N 2.949 C A 0053 THR O
H A 0055 THR N 2.258 C A 0054 TRP O
H A 0056 GLY N 2.256 H A 0055 THR O
H A 0057 VAL N 2.251 H A 0056 GLY O
H A 0058 GLU N 2.249 H A 0057 VAL O
H A 0059 ALA N 2.958 H A 0056 GLY O
H A 0059 ALA N 2.258 H A 0058 GLU O
H A 0060 LEU N 2.816 H A 0056 GLY O
H A 0060 LEU N 2.257 H A 0059 ALA O
H A 0061 ILE N 2.892 H A 0057 VAL O
H A 0061 ILE N 2.251 H A 0060 LEU O
H A 0062 ARG N 2.899 H A 0058 GLU O
H A 0062 ARG N 3.023 H A 0059 ALA O
H A 0062 ARG N 2.248 H A 0061 ILE O
H A 0063 ILE N 3.058 H A 0059 ALA O
H A 0063 ILE N 3.118 H A 0060 LEU O
H A 0063 ILE N 2.245 H A 0062 ARG O
H A 0064 LEU N 3.086 H A 0060 LEU O
H A 0064 LEU N 3.165 H A 0061 ILE O
H A 0064 LEU N 2.246 H A 0063 ILE O
H A 0065 GLN N 2.810 H A 0061 ILE O
H A 0065 GLN N 3.134 H A 0062 ARG O
H A 0065 GLN N 2.247 H A 0064 LEU O
H A 0066 GLN N 2.887 H A 0062 ARG O
H A 0066 GLN N 2.252 H A 0065 GLN O
H A 0067 LEU N 3.144 H A 0063 ILE O
H A 0067 LEU N 3.184 H A 0064 LEU O
H A 0067 LEU N 2.258 H A 0066 GLN O
H A 0068 LEU N 2.904 H A 0064 LEU O
H A 0068 LEU N 2.257 H A 0067 LEU O
H A 0069 PHE N 2.842 H A 0065 GLN O
H A 0069 PHE N 2.259 H A 0068 LEU O
H A 0070 ILE N 3.085 H A 0066 GLN O
H A 0070 ILE N 3.073 H A 0067 LEU O
H A 0070 ILE N 2.252 H A 0069 PHE O
H A 0071 HIS N 3.047 H A 0067 LEU O
H A 0071 HIS N 3.146 H A 0068 LEU O
H A 0071 HIS N 2.253 H A 0070 ILE O
H A 0072 PHE N 2.825 H A 0068 LEU O
H A 0072 PHE N 2.257 H A 0071 HIS O
H A 0073 ARG N 2.945 H A 0069 PHE O
H A 0073 ARG N 3.182 H A 0070 ILE O
H A 0073 ARG N 2.261 H A 0072 PHE O
H A 0074 ILE N 3.016 H A 0070 ILE O
H A 0074 ILE N 2.258 H A 0073 ARG O
H A 0075 GLY N 2.932 H A 0071 HIS O
H A 0075 GLY N 2.253 H A 0074 ILE O
H A 0076 CYS N 2.841 H A 0072 PHE O
H A 0076 CYS N 2.256 H A 0075 GLY O
H A 0077 ARG N 2.859 H A 0073 ARG O
H A 0077 ARG N 2.257 H A 0076 CYS O
H A 0078 HIS N 3.044 H A 0074 ILE O
H A 0078 HIS N 3.189 H A 0075 GLY O
H A 0078 HIS N 2.257 H A 0077 ARG O
H A 0079 SER N 3.131 H A 0077 ARG O
H A 0079 SER N 2.256 H A 0078 HIS O
H A 0080 ARG N 3.074 H A 0076 CYS O
H A 0080 ARG N 2.257 H A 0079 SER O
H A 0081 ILE N 2.251 H A 0080 ARG O
C A 0082 GLY N 3.020 H A 0079 SER O
C A 0082 GLY N 2.250 H A 0081 ILE O
C A 0083 ILE N 2.255 C A 0082 GLY O
C A 0084 ILE N 2.256 C A 0083 ILE O
C A 0085 GLN N 3.069 C A 0082 GLY O
C A 0085 GLN N 2.255 C A 0084 ILE O
C A 0086 GLN N 2.772 C A 0084 ILE O
C A 0086 GLN N 2.263 C A 0085 GLN O
C A 0087 ARG N 2.277 C A 0086 GLN O
C A 0088 ARG N 3.175 C A 0085 GLN O
C A 0088 ARG N 2.270 C A 0087 ARG O
C A 0089 THR N 3.068 C A 0083 ILE O
C A 0089 THR N 2.262 C A 0088 ARG O
C A 0090 ARG N 2.253 C A 0089 THR O
C A 0091 ASN N 2.921 C A 0089 THR O
C A 0091 ASN N 2.261 C A 0090 ARG O
C A 0092 GLY N 2.855 C A 0090 ARG O
C A 0092 GLY N 2.255 C A 0091 ASN O
C A 0093 ALA N 2.259 C A 0092 GLY O
C A 0094 SER N 2.857 C A 0092 GLY O
C A 0094 SER N 2.268 C A 0093 ALA O
C A 0095 LYS N 2.789 C A 0093 ALA O
C A 0095 LYS N 2.261 C A 0094 SER O
C A 0096 SER N 2.262 C A 0095 LYS O
HB_MS 2.00 3.20 18
C A 0003 GLN O 2.915 C A 0008 GLN NE2
C A 0003 GLN N 2.867 C A 0011 GLN OE1
C A 0003 GLN O 2.863 C A 0011 GLN NE2
C A 0006 GLU O 2.904 H A 0016 ASN ND2
C A 0008 GLN N 3.037 C A 0007 ASP OD2
C A 0013 GLU N 3.162 C A 0002 GLU OE2
C A 0013 GLU N 2.914 H A 0016 ASN OD1
H A 0016 ASN O 2.855 H A 0019 THR OG1
C A 0052 ASP O 2.932 C A 0053 THR OG1
C A 0053 THR O 3.021 H A 0055 THR OG1
C A 0054 TRP O 3.198 H A 0055 THR OG1
H A 0078 HIS O 2.906 C A 0088 ARG NH2
C A 0083 ILE O 2.807 C A 0089 THR OG1
C A 0087 ARG O 2.935 C A 0091 ASN ND2
C A 0088 ARG O 2.902 C A 0091 ASN ND2
C A 0090 ARG N 2.944 C A 0089 THR OG1
C A 0091 ASN O 3.191 C A 0094 SER OG
C A 0096 SER O 2.805 C A 0087 ARG NH2
HB_SS 2.00 3.20 4
C A 0011 GLN NE2 2.948 C A 0008 GLN OE1
H A 0040 HIS ND1 3.014 H A 0041 SER OG
C A 0052 ASP OD1 2.864 H A 0049 THR OG1
C A 0086 GLN NE2 2.950 C A 0085 GLN OE1
AROMATIC 0.00 8.00 5
H A 0080 ARG 7.342 H A 0072 PHE
C A 0012 ARG 5.948 H A 0018 TRP
H A 0077 ARG 6.621 H A 0078 HIS
C A 0088 ARG 6.971 H A 0078 HIS
H A 0062 ARG 7.031 H A 0069 PHE