Complet list of 1d8j con file
Complete list of 1d8j.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 359
C A 0001 ALA C 2.449 C A 0002 LEU CA
C A 0001 ALA C 3.183 C A 0002 LEU C
C A 0001 ALA C 3.685 C A 0002 LEU CB
C A 0002 LEU C 2.447 C A 0003 SER CA
C A 0002 LEU C 3.178 C A 0003 SER C
C A 0002 LEU C 3.675 C A 0003 SER CB
C A 0002 LEU CD1 3.684 H A 0010 PHE CE2
C A 0003 SER C 2.446 C A 0004 GLY CA
C A 0003 SER C 3.036 C A 0004 GLY C
C A 0004 GLY C 2.448 C A 0005 SER CA
C A 0004 GLY C 3.701 C A 0005 SER C
C A 0004 GLY C 3.101 C A 0005 SER CB
C A 0005 SER C 2.452 C A 0006 SER CA
C A 0005 SER C 3.661 C A 0006 SER C
C A 0005 SER C 3.221 C A 0006 SER CB
C A 0006 SER C 2.447 C A 0007 GLY CA
C A 0006 SER C 3.669 C A 0007 GLY C
C A 0007 GLY C 2.448 C A 0008 TYR CA
C A 0007 GLY C 2.943 C A 0008 TYR C
C A 0007 GLY C 3.712 C A 0008 TYR CB
C A 0008 TYR C 2.488 C A 0009 LYS CA
C A 0008 TYR C 3.173 C A 0009 LYS C
C A 0008 TYR C 2.996 C A 0009 LYS CB
C A 0008 TYR C 3.097 C A 0009 LYS CG
C A 0008 TYR CG 3.598 C A 0009 LYS CG
C A 0008 TYR CD2 3.381 C A 0009 LYS CG
C A 0008 TYR CE2 3.445 C A 0009 LYS CG
C A 0008 TYR CE2 3.645 C A 0009 LYS CD
C A 0008 TYR CZ 3.722 C A 0009 LYS CG
C A 0008 TYR CE1 3.733 H A 0050 GLN CG
C A 0008 TYR CE1 3.766 H A 0050 GLN CD
C A 0009 LYS CA 3.790 H A 0010 PHE CA
C A 0009 LYS C 2.437 H A 0010 PHE CA
C A 0009 LYS C 2.997 H A 0010 PHE C
C A 0009 LYS C 3.702 H A 0010 PHE CB
C A 0009 LYS CA 3.680 H A 0053 TRP CZ3
C A 0009 LYS C 3.771 H A 0053 TRP CH2
C A 0009 LYS CB 3.488 H A 0053 TRP CZ3
C A 0009 LYS CB 3.446 H A 0053 TRP CH2
H A 0010 PHE C 2.446 H A 0011 GLY CA
H A 0010 PHE C 2.999 H A 0011 GLY C
H A 0011 GLY C 2.444 H A 0012 VAL CA
H A 0011 GLY C 2.988 H A 0012 VAL C
H A 0011 GLY C 3.715 H A 0012 VAL CB
H A 0012 VAL C 2.447 H A 0013 LEU CA
H A 0012 VAL C 3.007 H A 0013 LEU C
H A 0012 VAL C 3.711 H A 0013 LEU CB
H A 0012 VAL CG1 3.681 H A 0016 ILE CD1
H A 0012 VAL CG1 3.335 C A 0043 HIS CD2
H A 0012 VAL CG2 3.548 C A 0043 HIS CE1
H A 0013 LEU C 2.440 H A 0014 ALA CA
H A 0013 LEU C 2.989 H A 0014 ALA C
H A 0013 LEU C 3.708 H A 0014 ALA CB
H A 0013 LEU CD1 3.798 C A 0058 ALA CB
H A 0014 ALA C 2.440 H A 0015 LYS CA
H A 0014 ALA C 3.057 H A 0015 LYS C
H A 0014 ALA C 3.709 H A 0015 LYS CB
H A 0015 LYS C 2.445 H A 0016 ILE CA
H A 0015 LYS C 3.000 H A 0016 ILE C
H A 0015 LYS C 3.726 H A 0016 ILE CB
H A 0016 ILE C 2.443 H A 0017 VAL CA
H A 0016 ILE C 2.984 H A 0017 VAL C
H A 0016 ILE C 3.708 H A 0017 VAL CB
H A 0016 ILE CG1 3.756 H A 0037 ILE CG2
H A 0016 ILE CG2 3.670 H A 0037 ILE CG2
H A 0016 ILE CA 3.737 C A 0041 THR CG2
H A 0016 ILE CG1 3.793 C A 0041 THR CG2
H A 0016 ILE CD1 3.706 H A 0054 LEU CD2
H A 0017 VAL C 2.447 H A 0018 ASN CA
H A 0017 VAL C 3.007 H A 0018 ASN C
H A 0017 VAL C 3.713 H A 0018 ASN CB
H A 0018 ASN C 2.443 H A 0019 TYR CA
H A 0018 ASN C 2.993 H A 0019 TYR C
H A 0018 ASN C 3.715 H A 0019 TYR CB
H A 0019 TYR C 2.447 H A 0020 MET CA
H A 0019 TYR C 2.954 H A 0020 MET C
H A 0019 TYR C 3.717 H A 0020 MET CB
H A 0019 TYR CD2 3.770 H A 0020 MET CG
H A 0019 TYR CE1 3.324 H A 0040 GLU CB
H A 0019 TYR CE1 3.753 H A 0040 GLU CG
H A 0019 TYR CE1 3.350 H A 0040 GLU CD
H A 0019 TYR CZ 3.362 H A 0040 GLU CB
H A 0019 TYR CZ 3.659 H A 0040 GLU CG
H A 0019 TYR CZ 3.637 H A 0040 GLU CD
H A 0019 TYR CB 3.695 C A 0041 THR CG2
H A 0019 TYR CG 3.794 C A 0041 THR CG2
H A 0019 TYR CD2 3.555 C A 0041 THR CG2
H A 0020 MET C 2.444 H A 0021 LYS CA
H A 0020 MET C 2.986 H A 0021 LYS C
H A 0020 MET C 3.714 H A 0021 LYS CB
H A 0020 MET CE 3.643 E A 0065 ILE CD1
H A 0020 MET CE 3.679 E A 0072 TYR C
H A 0020 MET CE 3.657 E A 0073 ALA CA
H A 0020 MET CE 3.301 E A 0073 ALA C
H A 0021 LYS C 2.446 H A 0022 THR CA
H A 0021 LYS C 3.064 H A 0022 THR C
H A 0021 LYS C 3.709 H A 0022 THR CB
H A 0021 LYS CA 3.469 E A 0074 PHE CD2
H A 0021 LYS CA 3.543 E A 0074 PHE CE2
H A 0021 LYS CB 3.791 E A 0074 PHE CD2
H A 0021 LYS CB 3.393 E A 0074 PHE CE2
H A 0021 LYS CG 3.400 E A 0074 PHE CE2
H A 0021 LYS CG 3.628 E A 0074 PHE CZ
H A 0022 THR C 2.445 H A 0023 ARG CA
H A 0022 THR C 2.980 H A 0023 ARG C
H A 0022 THR C 3.731 H A 0023 ARG CB
H A 0023 ARG C 2.445 H A 0024 HIS CA
H A 0023 ARG C 3.060 H A 0024 HIS C
H A 0023 ARG C 3.693 H A 0024 HIS CB
H A 0023 ARG CA 3.794 C A 0026 ARG CG
H A 0023 ARG C 3.651 C A 0026 ARG CG
H A 0023 ARG CG 3.364 C A 0028 ASP CB
H A 0024 HIS C 2.453 H A 0025 GLN CA
H A 0024 HIS C 3.020 H A 0025 GLN C
H A 0024 HIS C 3.713 H A 0025 GLN CB
H A 0024 HIS CG 3.716 C A 0029 THR CG2
H A 0024 HIS CE1 3.442 C A 0029 THR CB
H A 0024 HIS CE1 3.478 C A 0029 THR CG2
H A 0024 HIS CG 3.301 E A 0074 PHE CD1
H A 0024 HIS CD2 3.356 E A 0074 PHE CD1
H A 0024 HIS CD2 3.668 E A 0074 PHE CE1
H A 0024 HIS CE1 3.601 E A 0074 PHE CD1
H A 0024 HIS CE1 3.560 C A 0076 PRO CG
H A 0024 HIS CE1 3.758 C A 0076 PRO CD
H A 0025 GLN C 2.446 C A 0026 ARG CA
H A 0025 GLN C 3.072 C A 0026 ARG C
H A 0025 GLN C 3.735 C A 0026 ARG CB
C A 0026 ARG C 2.441 C A 0027 GLY CA
C A 0026 ARG C 3.724 C A 0027 GLY C
C A 0027 GLY C 2.449 C A 0028 ASP CA
C A 0027 GLY C 3.132 C A 0028 ASP C
C A 0027 GLY C 3.705 C A 0028 ASP CB
C A 0028 ASP C 2.445 C A 0029 THR CA
C A 0028 ASP C 3.167 C A 0029 THR C
C A 0028 ASP C 3.689 C A 0029 THR CB
C A 0029 THR C 2.456 C A 0030 HIS CA
C A 0029 THR C 3.042 C A 0030 HIS C
C A 0029 THR C 3.719 C A 0030 HIS CB
C A 0030 HIS CA 2.870 C A 0031 PRO CD
C A 0030 HIS C 2.454 C A 0031 PRO CA
C A 0030 HIS C 3.076 C A 0031 PRO C
C A 0030 HIS C 3.672 C A 0031 PRO CB
C A 0030 HIS C 3.684 C A 0031 PRO CG
C A 0030 HIS C 2.468 C A 0031 PRO CD
C A 0030 HIS CB 3.403 C A 0031 PRO CD
C A 0030 HIS CE1 3.591 E A 0032 LEU CG
C A 0030 HIS CE1 3.429 E A 0032 LEU CD2
C A 0031 PRO C 2.457 E A 0032 LEU CA
C A 0031 PRO C 3.600 E A 0032 LEU C
C A 0031 PRO C 3.383 E A 0032 LEU CB
C A 0031 PRO C 3.624 E A 0032 LEU CG
C A 0031 PRO CA 3.744 E A 0073 ALA CB
E A 0032 LEU C 2.444 C A 0033 THR CA
E A 0032 LEU C 3.009 C A 0033 THR C
E A 0032 LEU C 3.735 C A 0033 THR CB
E A 0032 LEU CD2 3.488 H A 0036 GLU CD
E A 0032 LEU C 3.653 E A 0071 LYS CB
C A 0033 THR C 2.433 H A 0034 LEU CA
C A 0033 THR C 2.965 H A 0034 LEU C
C A 0033 THR C 3.704 H A 0034 LEU CB
C A 0033 THR CG2 3.726 E A 0071 LYS CG
C A 0033 THR CG2 3.670 E A 0071 LYS CD
C A 0033 THR CG2 3.728 E A 0071 LYS CE
H A 0034 LEU C 2.453 H A 0035 ASP CA
H A 0034 LEU C 2.995 H A 0035 ASP C
H A 0034 LEU C 3.711 H A 0035 ASP CB
H A 0034 LEU CD1 3.754 H A 0038 LEU CG
H A 0034 LEU CD1 3.771 H A 0038 LEU CD1
H A 0034 LEU CD1 3.699 H A 0051 LYS CD
H A 0034 LEU CB 3.465 H A 0055 MET CE
H A 0034 LEU CG 3.637 H A 0055 MET CE
H A 0034 LEU CD2 3.594 C A 0059 LEU CD1
H A 0035 ASP C 2.457 H A 0036 GLU CA
H A 0035 ASP C 2.954 H A 0036 GLU C
H A 0035 ASP C 3.728 H A 0036 GLU CB
H A 0036 GLU C 2.437 H A 0037 ILE CA
H A 0036 GLU C 3.090 H A 0037 ILE C
H A 0036 GLU C 3.702 H A 0037 ILE CB
H A 0037 ILE C 2.464 H A 0038 LEU CA
H A 0037 ILE C 2.928 H A 0038 LEU C
H A 0037 ILE C 3.749 H A 0038 LEU CB
H A 0038 LEU C 2.457 H A 0039 ASP CA
H A 0038 LEU C 2.935 H A 0039 ASP C
H A 0038 LEU C 3.709 H A 0039 ASP CB
H A 0038 LEU CB 3.692 C A 0043 HIS C
H A 0038 LEU CD1 3.660 H A 0051 LYS CD
H A 0039 ASP C 2.455 H A 0040 GLU CA
H A 0039 ASP C 3.054 H A 0040 GLU C
H A 0039 ASP C 3.707 H A 0040 GLU CB
H A 0039 ASP CG 3.419 C A 0044 LEU CD1
H A 0040 GLU C 2.447 C A 0041 THR CA
H A 0040 GLU C 3.308 C A 0041 THR C
H A 0040 GLU C 3.634 C A 0041 THR CB
C A 0041 THR C 2.473 C A 0042 GLN CA
C A 0041 THR C 3.075 C A 0042 GLN C
C A 0041 THR C 3.026 C A 0042 GLN CB
C A 0041 THR C 3.790 C A 0042 GLN CG
C A 0041 THR C 3.385 C A 0042 GLN CD
C A 0041 THR C 3.677 C A 0043 HIS CE1
C A 0041 THR CB 3.254 C A 0043 HIS CD2
C A 0042 GLN C 2.448 C A 0043 HIS CA
C A 0042 GLN C 3.554 C A 0043 HIS C
C A 0042 GLN C 3.417 C A 0043 HIS CB
C A 0042 GLN C 3.382 C A 0043 HIS CG
C A 0043 HIS C 2.435 C A 0044 LEU CA
C A 0043 HIS C 3.112 C A 0044 LEU C
C A 0043 HIS C 3.691 C A 0044 LEU CB
C A 0044 LEU C 2.452 C A 0045 ASP CA
C A 0044 LEU C 2.997 C A 0045 ASP C
C A 0044 LEU C 3.717 C A 0045 ASP CB
C A 0045 ASP C 2.500 C A 0046 ILE CA
C A 0045 ASP C 2.903 C A 0046 ILE C
C A 0045 ASP C 3.398 C A 0046 ILE CB
C A 0045 ASP C 3.329 C A 0046 ILE CG2
C A 0046 ILE C 2.449 C A 0047 GLY CA
C A 0046 ILE C 3.654 C A 0047 GLY C
C A 0046 ILE CG1 3.423 H A 0050 GLN CB
C A 0046 ILE CD1 3.635 H A 0050 GLN CB
C A 0046 ILE CG2 3.723 H A 0051 LYS CE
C A 0046 ILE CD1 3.664 H A 0051 LYS CA
C A 0046 ILE CD1 3.548 H A 0054 LEU CD1
C A 0047 GLY C 2.440 H A 0048 LEU CA
C A 0047 GLY C 2.956 H A 0048 LEU C
C A 0047 GLY C 3.708 H A 0048 LEU CB
H A 0048 LEU C 2.449 H A 0049 LYS CA
H A 0048 LEU C 2.978 H A 0049 LYS C
H A 0048 LEU C 3.721 H A 0049 LYS CB
H A 0049 LYS C 2.445 H A 0050 GLN CA
H A 0049 LYS C 3.059 H A 0050 GLN C
H A 0049 LYS C 3.709 H A 0050 GLN CB
H A 0050 GLN C 2.459 H A 0051 LYS CA
H A 0050 GLN C 2.914 H A 0051 LYS C
H A 0050 GLN C 3.712 H A 0051 LYS CB
H A 0051 LYS C 2.444 H A 0052 GLN CA
H A 0051 LYS C 3.033 H A 0052 GLN C
H A 0051 LYS C 3.715 H A 0052 GLN CB
H A 0052 GLN C 2.453 H A 0053 TRP CA
H A 0052 GLN C 2.988 H A 0053 TRP C
H A 0052 GLN C 3.713 H A 0053 TRP CB
H A 0053 TRP C 2.432 H A 0054 LEU CA
H A 0053 TRP C 2.973 H A 0054 LEU C
H A 0053 TRP C 3.717 H A 0054 LEU CB
H A 0053 TRP CE3 3.762 H A 0054 LEU CD2
H A 0053 TRP CZ3 3.683 H A 0054 LEU CD2
H A 0053 TRP CD1 3.267 C A 0057 GLU CB
H A 0053 TRP CD1 3.681 C A 0057 GLU CG
H A 0054 LEU C 2.441 H A 0055 MET CA
H A 0054 LEU C 3.084 H A 0055 MET C
H A 0054 LEU C 3.706 H A 0055 MET CB
H A 0054 LEU CA 3.773 C A 0058 ALA CB
H A 0054 LEU CD2 3.631 C A 0058 ALA CB
H A 0055 MET C 2.456 C A 0056 THR CA
H A 0055 MET C 3.484 C A 0056 THR C
H A 0055 MET C 3.533 C A 0056 THR CB
H A 0055 MET C 3.594 C A 0056 THR CG2
C A 0056 THR C 2.436 C A 0057 GLU CA
C A 0056 THR C 3.719 C A 0057 GLU C
C A 0056 THR C 3.079 C A 0057 GLU CB
C A 0056 THR C 3.711 C A 0060 VAL CG2
C A 0057 GLU C 2.431 C A 0058 ALA CA
C A 0057 GLU C 3.042 C A 0058 ALA C
C A 0057 GLU C 3.694 C A 0058 ALA CB
C A 0057 GLU CA 3.352 C A 0060 VAL CG2
C A 0057 GLU C 3.301 C A 0060 VAL CG2
C A 0058 ALA C 2.448 C A 0059 LEU CA
C A 0058 ALA C 3.205 C A 0059 LEU C
C A 0058 ALA C 3.678 C A 0059 LEU CB
C A 0059 LEU C 2.453 C A 0060 VAL CA
C A 0059 LEU C 3.586 C A 0060 VAL C
C A 0059 LEU C 3.387 C A 0060 VAL CB
C A 0059 LEU C 3.394 C A 0060 VAL CG1
C A 0059 LEU CD2 3.792 E A 0065 ILE CG1
C A 0059 LEU CB 3.649 E A 0072 TYR CD1
C A 0059 LEU CB 3.626 E A 0072 TYR CE1
C A 0059 LEU CD1 3.555 E A 0072 TYR CD2
C A 0060 VAL C 2.450 C A 0061 ASN CA
C A 0060 VAL C 3.247 C A 0061 ASN C
C A 0060 VAL C 3.661 C A 0061 ASN CB
C A 0061 ASN C 2.453 C A 0062 ASN CA
C A 0061 ASN C 3.004 C A 0062 ASN C
C A 0061 ASN C 3.725 C A 0062 ASN CB
C A 0062 ASN CA 2.892 C A 0063 PRO CD
C A 0062 ASN C 2.466 C A 0063 PRO CA
C A 0062 ASN C 3.083 C A 0063 PRO C
C A 0062 ASN C 3.689 C A 0063 PRO CB
C A 0062 ASN C 3.696 C A 0063 PRO CG
C A 0062 ASN C 2.476 C A 0063 PRO CD
C A 0062 ASN CB 3.701 E A 0065 ILE CG1
C A 0062 ASN CG 3.731 E A 0065 ILE CG1
C A 0063 PRO C 2.454 C A 0064 LYS CA
C A 0063 PRO C 3.072 C A 0064 LYS C
C A 0063 PRO C 3.730 C A 0064 LYS CB
C A 0064 LYS C 2.437 E A 0065 ILE CA
C A 0064 LYS C 3.255 E A 0065 ILE C
C A 0064 LYS C 3.637 E A 0065 ILE CB
C A 0064 LYS CE 3.349 E A 0074 PHE CE2
C A 0064 LYS CE 3.467 E A 0074 PHE CZ
C A 0064 LYS CD 3.602 C A 0079 ASN CG
E A 0065 ILE C 2.451 E A 0066 GLU CA
E A 0065 ILE C 3.390 E A 0066 GLU C
E A 0065 ILE C 3.563 E A 0066 GLU CB
E A 0066 GLU C 2.443 E A 0067 VAL CA
E A 0066 GLU C 3.162 E A 0067 VAL C
E A 0066 GLU C 3.681 E A 0067 VAL CB
E A 0067 VAL C 2.450 E A 0068 ILE CA
E A 0067 VAL C 3.466 E A 0068 ILE C
E A 0067 VAL C 3.505 E A 0068 ILE CB
E A 0067 VAL C 3.474 E A 0068 ILE CG1
E A 0068 ILE C 2.452 C A 0069 ASP CA
E A 0068 ILE C 3.184 C A 0069 ASP C
E A 0068 ILE C 3.670 C A 0069 ASP CB
E A 0068 ILE CD1 3.510 E A 0073 ALA CB
C A 0069 ASP C 2.455 C A 0070 GLY CA
C A 0069 ASP C 3.158 C A 0070 GLY C
C A 0070 GLY C 2.451 E A 0071 LYS CA
C A 0070 GLY C 3.146 E A 0071 LYS C
C A 0070 GLY C 3.674 E A 0071 LYS CB
E A 0071 LYS C 2.446 E A 0072 TYR CA
E A 0071 LYS C 3.421 E A 0072 TYR C
E A 0071 LYS C 3.535 E A 0072 TYR CB
E A 0071 LYS C 3.642 E A 0072 TYR CG
E A 0072 TYR C 2.454 E A 0073 ALA CA
E A 0072 TYR C 3.499 E A 0073 ALA C
E A 0072 TYR C 3.472 E A 0073 ALA CB
E A 0073 ALA C 2.442 E A 0074 PHE CA
E A 0073 ALA C 3.286 E A 0074 PHE C
E A 0073 ALA C 3.599 E A 0074 PHE CB
E A 0074 PHE C 2.464 C A 0075 LYS CA
E A 0074 PHE C 3.424 C A 0075 LYS C
E A 0074 PHE C 3.571 C A 0075 LYS CB
E A 0074 PHE CD1 3.607 C A 0075 LYS C
E A 0074 PHE CE1 3.601 C A 0075 LYS C
C A 0075 LYS CA 2.906 C A 0076 PRO CD
C A 0075 LYS C 2.460 C A 0076 PRO CA
C A 0075 LYS C 3.211 C A 0076 PRO C
C A 0075 LYS C 3.636 C A 0076 PRO CB
C A 0075 LYS C 3.689 C A 0076 PRO CG
C A 0075 LYS C 2.482 C A 0076 PRO CD
C A 0075 LYS CD 3.592 C A 0078 TYR CE1
C A 0075 LYS CD 3.623 C A 0078 TYR CZ
C A 0076 PRO C 2.477 C A 0077 LYS CA
C A 0076 PRO C 3.043 C A 0077 LYS C
C A 0076 PRO C 3.719 C A 0077 LYS CB
C A 0077 LYS C 2.500 C A 0078 TYR CA
C A 0077 LYS C 2.935 C A 0078 TYR C
C A 0077 LYS C 3.337 C A 0078 TYR CB
C A 0077 LYS C 3.532 C A 0078 TYR CG
C A 0077 LYS C 3.254 C A 0078 TYR CD1
C A 0078 TYR C 2.442 C A 0079 ASN CA
C A 0078 TYR C 3.696 C A 0079 ASN C
C A 0078 TYR C 3.104 C A 0079 ASN CB
C A 0079 ASN C 2.457 C A 0080 VAL CA
C A 0079 ASN C 3.509 C A 0080 VAL C
C A 0079 ASN C 3.471 C A 0080 VAL CB
C A 0079 ASN C 3.444 C A 0080 VAL CG2
C A 0080 VAL C 2.456 C A 0081 ARG CA
C A 0080 VAL C 3.534 C A 0081 ARG C
C A 0080 VAL C 3.440 C A 0081 ARG CB
C A 0080 VAL C 3.457 C A 0081 ARG CG
CHARGE_ATTR 2.00 12.00 81
C A 0028 ASP OD1 6.529 H A 0023 ARG NH1
C A 0028 ASP OD1 4.858 H A 0023 ARG NH2
C A 0028 ASP OD2 4.629 H A 0023 ARG NH1
C A 0028 ASP OD2 2.727 H A 0023 ARG NH2
C A 0028 ASP OD1 9.375 H A 0024 HIS ND1
C A 0028 ASP OD1 10.61 H A 0024 HIS NE2
C A 0028 ASP OD2 9.553 H A 0024 HIS ND1
C A 0028 ASP OD2 11.16 H A 0024 HIS NE2
C A 0028 ASP OD1 2.684 C A 0026 ARG NH1
C A 0028 ASP OD1 4.060 C A 0026 ARG NH2
C A 0028 ASP OD2 4.004 C A 0026 ARG NH1
C A 0028 ASP OD2 5.608 C A 0026 ARG NH2
C A 0028 ASP OD1 5.284 C A 0030 HIS ND1
C A 0028 ASP OD1 6.138 C A 0030 HIS NE2
C A 0028 ASP OD2 3.901 C A 0030 HIS ND1
C A 0028 ASP OD2 4.222 C A 0030 HIS NE2
H A 0035 ASP OD1 6.549 H A 0051 LYS NZ
H A 0035 ASP OD2 4.810 H A 0051 LYS NZ
H A 0035 ASP OD1 10.20 E A 0071 LYS NZ
H A 0036 GLU OE1 7.338 H A 0023 ARG NH1
H A 0036 GLU OE1 7.426 H A 0023 ARG NH2
H A 0036 GLU OE2 6.295 H A 0023 ARG NH1
H A 0036 GLU OE2 6.133 H A 0023 ARG NH2
H A 0036 GLU OE2 11.95 C A 0026 ARG NH1
H A 0036 GLU OE1 7.509 C A 0030 HIS ND1
H A 0036 GLU OE1 5.786 C A 0030 HIS NE2
H A 0036 GLU OE2 7.263 C A 0030 HIS ND1
H A 0036 GLU OE2 5.194 C A 0030 HIS NE2
H A 0036 GLU OE1 6.932 E A 0071 LYS NZ
H A 0036 GLU OE2 8.352 E A 0071 LYS NZ
H A 0039 ASP OD1 9.675 H A 0023 ARG NH1
H A 0039 ASP OD1 11.39 H A 0023 ARG NH2
H A 0039 ASP OD2 9.636 H A 0023 ARG NH1
H A 0039 ASP OD2 11.29 H A 0023 ARG NH2
H A 0039 ASP OD1 9.805 C A 0043 HIS ND1
H A 0039 ASP OD1 10.63 C A 0043 HIS NE2
H A 0039 ASP OD2 10.90 C A 0043 HIS ND1
H A 0039 ASP OD2 11.83 C A 0043 HIS NE2
H A 0039 ASP OD1 7.859 H A 0051 LYS NZ
H A 0039 ASP OD2 9.693 H A 0051 LYS NZ
H A 0040 GLU OE1 9.550 H A 0015 LYS NZ
H A 0040 GLU OE2 10.97 H A 0015 LYS NZ
H A 0040 GLU OE1 4.809 H A 0023 ARG NH1
H A 0040 GLU OE1 6.878 H A 0023 ARG NH2
H A 0040 GLU OE2 2.668 H A 0023 ARG NH1
H A 0040 GLU OE2 4.881 H A 0023 ARG NH2
H A 0040 GLU OE1 8.834 C A 0026 ARG NH1
H A 0040 GLU OE1 9.868 C A 0026 ARG NH2
H A 0040 GLU OE2 7.797 C A 0026 ARG NH1
H A 0040 GLU OE2 9.170 C A 0026 ARG NH2
H A 0040 GLU OE1 10.41 C A 0030 HIS ND1
H A 0040 GLU OE1 10.02 C A 0030 HIS NE2
H A 0040 GLU OE2 8.266 C A 0030 HIS ND1
H A 0040 GLU OE2 7.818 C A 0030 HIS NE2
H A 0040 GLU OE1 11.72 C A 0043 HIS ND1
H A 0040 GLU OE1 11.29 C A 0043 HIS NE2
H A 0040 GLU OE2 11.91 C A 0043 HIS NE2
C A 0045 ASP OD1 8.026 C A 0043 HIS ND1
C A 0045 ASP OD1 10.20 C A 0043 HIS NE2
C A 0045 ASP OD2 9.999 C A 0043 HIS ND1
C A 0045 ASP OD1 8.646 H A 0051 LYS NZ
C A 0045 ASP OD2 8.988 H A 0051 LYS NZ
C A 0057 GLU OE1 6.893 C A 0009 LYS NZ
C A 0057 GLU OE2 4.745 C A 0009 LYS NZ
C A 0057 GLU OE1 11.51 H A 0049 LYS NZ
C A 0057 GLU OE2 9.682 H A 0049 LYS NZ
E A 0066 GLU OE1 8.832 H A 0024 HIS ND1
E A 0066 GLU OE1 8.954 H A 0024 HIS NE2
E A 0066 GLU OE2 8.225 H A 0024 HIS ND1
E A 0066 GLU OE2 8.681 H A 0024 HIS NE2
E A 0066 GLU OE2 11.99 C A 0030 HIS ND1
E A 0066 GLU OE1 8.812 C A 0064 LYS NZ
E A 0066 GLU OE2 10.15 C A 0064 LYS NZ
E A 0066 GLU OE1 4.504 C A 0075 LYS NZ
E A 0066 GLU OE2 6.503 C A 0075 LYS NZ
E A 0066 GLU OE1 6.278 C A 0077 LYS NZ
E A 0066 GLU OE2 6.760 C A 0077 LYS NZ
C A 0069 ASP OD2 10.91 C A 0030 HIS ND1
C A 0069 ASP OD2 10.21 C A 0030 HIS NE2
C A 0069 ASP OD1 4.382 E A 0071 LYS NZ
C A 0069 ASP OD2 2.640 E A 0071 LYS NZ
CHARGE_REPU 2.00 12.00 74
C A 0009 LYS NZ 6.581 H A 0049 LYS NZ
H A 0015 LYS NZ 7.058 C A 0043 HIS ND1
H A 0015 LYS NZ 6.140 C A 0043 HIS NE2
H A 0021 LYS NZ 10.25 H A 0024 HIS ND1
H A 0021 LYS NZ 9.679 H A 0024 HIS NE2
H A 0021 LYS NZ 8.965 C A 0064 LYS NZ
H A 0023 ARG NH1 11.21 H A 0024 HIS ND1
H A 0023 ARG NH2 10.87 H A 0024 HIS ND1
H A 0023 ARG NH1 6.741 C A 0026 ARG NH1
H A 0023 ARG NH1 8.305 C A 0026 ARG NH2
H A 0023 ARG NH2 5.864 C A 0026 ARG NH1
H A 0023 ARG NH2 7.356 C A 0026 ARG NH2
H A 0023 ARG NH1 5.898 C A 0030 HIS ND1
H A 0023 ARG NH1 5.238 C A 0030 HIS NE2
H A 0023 ARG NH2 4.542 C A 0030 HIS ND1
H A 0023 ARG NH2 3.750 C A 0030 HIS NE2
H A 0024 HIS ND1 9.712 C A 0026 ARG NH1
H A 0024 HIS ND1 11.78 C A 0026 ARG NH2
H A 0024 HIS NE2 10.73 C A 0026 ARG NH1
H A 0024 HIS ND1 7.627 C A 0030 HIS ND1
H A 0024 HIS ND1 9.781 C A 0030 HIS NE2
H A 0024 HIS NE2 9.589 C A 0030 HIS ND1
H A 0024 HIS NE2 11.80 C A 0030 HIS NE2
H A 0024 HIS ND1 8.098 C A 0064 LYS NZ
H A 0024 HIS NE2 7.405 C A 0064 LYS NZ
H A 0024 HIS ND1 11.37 C A 0075 LYS NZ
H A 0024 HIS NE2 11.43 C A 0075 LYS NZ
H A 0024 HIS NE2 11.20 C A 0077 LYS NZ
C A 0026 ARG NH1 7.159 C A 0030 HIS ND1
C A 0026 ARG NH1 8.088 C A 0030 HIS NE2
C A 0026 ARG NH2 9.138 C A 0030 HIS ND1
C A 0026 ARG NH2 9.830 C A 0030 HIS NE2
C A 0028 ASP OD1 11.58 H A 0036 GLU OE1
C A 0028 ASP OD1 10.49 H A 0036 GLU OE2
C A 0028 ASP OD2 9.405 H A 0036 GLU OE1
C A 0028 ASP OD2 8.290 H A 0036 GLU OE2
C A 0028 ASP OD1 9.923 H A 0040 GLU OE1
C A 0028 ASP OD1 8.394 H A 0040 GLU OE2
C A 0028 ASP OD2 8.669 H A 0040 GLU OE1
C A 0028 ASP OD2 6.862 H A 0040 GLU OE2
C A 0030 HIS ND1 10.52 E A 0071 LYS NZ
C A 0030 HIS NE2 9.460 E A 0071 LYS NZ
H A 0035 ASP OD1 7.314 H A 0036 GLU OE1
H A 0035 ASP OD1 8.696 H A 0036 GLU OE2
H A 0035 ASP OD2 8.720 H A 0036 GLU OE1
H A 0035 ASP OD2 9.762 H A 0036 GLU OE2
H A 0035 ASP OD1 7.403 H A 0039 ASP OD1
H A 0035 ASP OD1 9.249 H A 0039 ASP OD2
H A 0035 ASP OD2 6.228 H A 0039 ASP OD1
H A 0035 ASP OD2 8.060 H A 0039 ASP OD2
H A 0035 ASP OD2 11.53 C A 0045 ASP OD1
H A 0036 GLU OE1 8.729 H A 0039 ASP OD1
H A 0036 GLU OE1 9.730 H A 0039 ASP OD2
H A 0036 GLU OE2 8.636 H A 0039 ASP OD1
H A 0036 GLU OE2 9.128 H A 0039 ASP OD2
H A 0036 GLU OE1 10.86 H A 0040 GLU OE1
H A 0036 GLU OE1 8.938 H A 0040 GLU OE2
H A 0036 GLU OE2 9.974 H A 0040 GLU OE1
H A 0036 GLU OE2 8.087 H A 0040 GLU OE2
H A 0036 GLU OE1 11.03 C A 0069 ASP OD1
H A 0036 GLU OE1 9.029 C A 0069 ASP OD2
H A 0036 GLU OE2 10.24 C A 0069 ASP OD2
H A 0039 ASP OD1 8.934 H A 0040 GLU OE1
H A 0039 ASP OD1 8.771 H A 0040 GLU OE2
H A 0039 ASP OD2 8.464 H A 0040 GLU OE1
H A 0039 ASP OD2 8.603 H A 0040 GLU OE2
H A 0039 ASP OD1 8.932 C A 0045 ASP OD1
H A 0039 ASP OD1 10.33 C A 0045 ASP OD2
H A 0039 ASP OD2 9.196 C A 0045 ASP OD1
H A 0039 ASP OD2 10.55 C A 0045 ASP OD2
C A 0043 HIS ND1 10.14 H A 0051 LYS NZ
C A 0043 HIS NE2 11.28 H A 0051 LYS NZ
C A 0064 LYS NZ 7.905 C A 0075 LYS NZ
C A 0075 LYS NZ 9.227 C A 0077 LYS NZ
HB_MM 2.00 3.20 141
C A 0002 LEU N 2.259 C A 0001 ALA O
C A 0003 SER N 2.873 C A 0001 ALA O
C A 0003 SER N 2.255 C A 0002 LEU O
C A 0004 GLY N 2.256 C A 0003 SER O
C A 0005 SER N 2.257 C A 0004 GLY O
C A 0006 SER N 2.258 C A 0005 SER O
C A 0007 GLY N 2.256 C A 0006 SER O
C A 0008 TYR N 2.259 C A 0007 GLY O
C A 0009 LYS N 3.146 C A 0007 GLY O
C A 0009 LYS N 2.270 C A 0008 TYR O
H A 0010 PHE N 2.767 C A 0008 TYR O
H A 0010 PHE N 2.251 C A 0009 LYS O
H A 0011 GLY N 2.810 C A 0007 GLY O
H A 0011 GLY N 2.253 H A 0010 PHE O
H A 0012 VAL N 2.255 H A 0011 GLY O
H A 0013 LEU N 2.821 C A 0009 LYS O
H A 0013 LEU N 2.251 H A 0012 VAL O
H A 0014 ALA N 2.865 H A 0010 PHE O
H A 0014 ALA N 2.250 H A 0013 LEU O
H A 0015 LYS N 2.920 H A 0011 GLY O
H A 0015 LYS N 3.139 H A 0012 VAL O
H A 0015 LYS N 2.257 H A 0014 ALA O
H A 0016 ILE N 2.868 H A 0012 VAL O
H A 0016 ILE N 3.097 H A 0013 LEU O
H A 0016 ILE N 2.252 H A 0015 LYS O
H A 0017 VAL N 2.872 H A 0013 LEU O
H A 0017 VAL N 2.252 H A 0016 ILE O
H A 0018 ASN N 2.863 H A 0014 ALA O
H A 0018 ASN N 2.253 H A 0017 VAL O
H A 0019 TYR N 2.775 H A 0015 LYS O
H A 0019 TYR N 2.253 H A 0018 ASN O
H A 0020 MET N 2.891 H A 0016 ILE O
H A 0020 MET N 2.255 H A 0019 TYR O
H A 0021 LYS N 2.832 H A 0017 VAL O
H A 0021 LYS N 2.249 H A 0020 MET O
H A 0022 THR N 2.887 H A 0018 ASN O
H A 0022 THR N 3.025 H A 0019 TYR O
H A 0022 THR N 2.249 H A 0021 LYS O
H A 0023 ARG N 2.822 H A 0019 TYR O
H A 0023 ARG N 2.255 H A 0022 THR O
H A 0024 HIS N 2.799 H A 0020 MET O
H A 0024 HIS N 2.253 H A 0023 ARG O
H A 0025 GLN N 2.784 H A 0021 LYS O
H A 0025 GLN N 2.983 H A 0022 THR O
H A 0025 GLN N 2.253 H A 0024 HIS O
C A 0026 ARG N 3.030 H A 0022 THR O
C A 0026 ARG N 2.255 H A 0025 GLN O
C A 0027 GLY N 2.253 C A 0026 ARG O
C A 0028 ASP N 3.036 H A 0023 ARG O
C A 0028 ASP N 2.254 C A 0027 GLY O
C A 0029 THR N 2.740 C A 0027 GLY O
C A 0029 THR N 2.253 C A 0028 ASP O
C A 0030 HIS N 2.263 C A 0029 THR O
C A 0031 PRO N 2.262 C A 0030 HIS O
E A 0032 LEU N 2.261 C A 0031 PRO O
E A 0032 LEU N 2.853 E A 0072 TYR O
C A 0033 THR N 2.258 E A 0032 LEU O
H A 0034 LEU N 2.252 C A 0033 THR O
H A 0035 ASP N 2.253 H A 0034 LEU O
H A 0036 GLU N 2.257 H A 0035 ASP O
H A 0037 ILE N 3.040 H A 0034 LEU O
H A 0037 ILE N 3.065 H A 0035 ASP O
H A 0037 ILE N 2.252 H A 0036 GLU O
H A 0038 LEU N 3.029 H A 0034 LEU O
H A 0038 LEU N 2.947 H A 0035 ASP O
H A 0038 LEU N 2.264 H A 0037 ILE O
H A 0039 ASP N 2.258 H A 0038 LEU O
H A 0040 GLU N 2.254 H A 0039 ASP O
C A 0041 THR N 3.027 H A 0037 ILE O
C A 0041 THR N 2.995 H A 0038 LEU O
C A 0041 THR N 3.142 H A 0039 ASP O
C A 0041 THR N 2.253 H A 0040 GLU O
C A 0042 GLN N 2.857 H A 0038 LEU O
C A 0042 GLN N 2.956 H A 0039 ASP O
C A 0042 GLN N 2.250 C A 0041 THR O
C A 0043 HIS N 2.869 H A 0038 LEU O
C A 0043 HIS N 2.253 C A 0042 GLN O
C A 0044 LEU N 2.239 C A 0043 HIS O
C A 0045 ASP N 2.261 C A 0044 LEU O
C A 0046 ILE N 2.283 C A 0045 ASP O
C A 0047 GLY N 2.930 C A 0045 ASP O
C A 0047 GLY N 2.250 C A 0046 ILE O
H A 0048 LEU N 2.248 C A 0047 GLY O
H A 0049 LYS N 3.148 C A 0047 GLY O
H A 0049 LYS N 2.254 H A 0048 LEU O
H A 0050 GLN N 2.256 H A 0049 LYS O
H A 0051 LYS N 2.826 C A 0047 GLY O
H A 0051 LYS N 2.247 H A 0050 GLN O
H A 0052 GLN N 2.862 H A 0048 LEU O
H A 0052 GLN N 3.166 H A 0050 GLN O
H A 0052 GLN N 2.255 H A 0051 LYS O
H A 0053 TRP N 2.985 H A 0049 LYS O
H A 0053 TRP N 2.968 H A 0050 GLN O
H A 0053 TRP N 2.255 H A 0052 GLN O
H A 0054 LEU N 2.761 H A 0050 GLN O
H A 0054 LEU N 2.244 H A 0053 TRP O
H A 0055 MET N 3.044 H A 0052 GLN O
H A 0055 MET N 2.253 H A 0054 LEU O
C A 0056 THR N 2.846 H A 0052 GLN O
C A 0056 THR N 2.258 H A 0055 MET O
C A 0057 GLU N 2.849 H A 0053 TRP O
C A 0057 GLU N 2.247 C A 0056 THR O
C A 0058 ALA N 2.986 H A 0053 TRP O
C A 0058 ALA N 2.245 C A 0057 GLU O
C A 0059 LEU N 2.859 H A 0054 LEU O
C A 0059 LEU N 2.249 C A 0058 ALA O
C A 0060 VAL N 2.913 C A 0058 ALA O
C A 0060 VAL N 2.253 C A 0059 LEU O
C A 0061 ASN N 2.990 C A 0057 GLU O
C A 0061 ASN N 2.258 C A 0060 VAL O
C A 0062 ASN N 2.962 C A 0058 ALA O
C A 0062 ASN N 2.259 C A 0061 ASN O
C A 0063 PRO N 3.182 C A 0061 ASN O
C A 0063 PRO N 2.264 C A 0062 ASN O
C A 0064 LYS N 2.260 C A 0063 PRO O
E A 0065 ILE N 3.167 C A 0062 ASN O
E A 0065 ILE N 2.254 C A 0064 LYS O
E A 0066 GLU N 2.259 E A 0065 ILE O
E A 0066 GLU N 2.812 E A 0073 ALA O
E A 0067 VAL N 2.256 E A 0066 GLU O
E A 0068 ILE N 2.261 E A 0067 VAL O
C A 0069 ASP N 2.255 E A 0068 ILE O
C A 0070 GLY N 2.865 E A 0068 ILE O
C A 0070 GLY N 2.260 C A 0069 ASP O
E A 0071 LYS N 2.814 C A 0069 ASP O
E A 0071 LYS N 2.257 C A 0070 GLY O
E A 0072 TYR N 2.919 E A 0032 LEU O
E A 0072 TYR N 2.265 E A 0071 LYS O
E A 0073 ALA N 2.859 E A 0066 GLU O
E A 0073 ALA N 2.262 E A 0072 TYR O
E A 0074 PHE N 2.250 E A 0073 ALA O
C A 0075 LYS N 2.799 C A 0064 LYS O
C A 0075 LYS N 2.261 E A 0074 PHE O
C A 0076 PRO N 2.265 C A 0075 LYS O
C A 0077 LYS N 2.269 C A 0076 PRO O
C A 0078 TYR N 2.283 C A 0077 LYS O
C A 0079 ASN N 2.956 C A 0077 LYS O
C A 0079 ASN N 2.251 C A 0078 TYR O
C A 0080 VAL N 2.896 C A 0076 PRO O
C A 0080 VAL N 2.261 C A 0079 ASN O
C A 0081 ARG N 2.262 C A 0080 VAL O
HB_MS 2.00 3.20 19
C A 0004 GLY N 3.127 C A 0003 SER OG
C A 0005 SER O 2.879 C A 0006 SER OG
C A 0006 SER N 2.767 C A 0005 SER OG
H A 0018 ASN O 2.820 H A 0022 THR OG1
C A 0033 THR N 2.796 H A 0036 GLU OE1
H A 0036 GLU N 3.169 C A 0033 THR OG1
H A 0037 ILE O 2.740 C A 0041 THR OG1
H A 0038 LEU O 2.828 C A 0041 THR OG1
H A 0040 GLU O 2.814 C A 0042 GLN NE2
C A 0041 THR O 2.931 C A 0043 HIS ND1
C A 0041 THR O 3.008 C A 0043 HIS NE2
C A 0042 GLN O 2.791 C A 0043 HIS ND1
H A 0052 GLN O 2.916 C A 0056 THR OG1
C A 0057 GLU O 2.992 C A 0061 ASN ND2
C A 0063 PRO N 3.090 C A 0062 ASN OD1
C A 0063 PRO O 2.854 C A 0075 LYS NZ
C A 0064 LYS N 2.834 C A 0062 ASN OD1
C A 0069 ASP O 3.197 E A 0071 LYS NZ
C A 0075 LYS O 2.717 C A 0064 LYS NZ
HB_SS 2.00 3.20 7
H A 0021 LYS NZ 2.757 H A 0025 GLN OE1
H A 0036 GLU OE1 2.705 C A 0033 THR OG1
H A 0040 GLU OE2 2.669 H A 0019 TYR OH
C A 0057 GLU OE2 2.695 H A 0053 TRP NE1
C A 0057 GLU OE1 2.748 C A 0061 ASN ND2
C A 0064 LYS NZ 2.712 C A 0079 ASN OD1
C A 0075 LYS NZ 2.915 C A 0078 TYR OH
AROMATIC 0.00 8.00 9
C A 0009 LYS 6.329 H A 0010 PHE
C A 0026 ARG 7.928 C A 0030 HIS
C A 0009 LYS 4.374 H A 0053 TRP
C A 0064 LYS 7.639 H A 0024 HIS
C A 0064 LYS 4.066 E A 0074 PHE
C A 0009 LYS 6.159 C A 0008 TYR
C A 0075 LYS 5.123 C A 0078 TYR
C A 0077 LYS 6.952 C A 0078 TYR
H A 0023 ARG 5.749 H A 0019 TYR