Complet list of 1bd6 con file
Complete list of 1bd6.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 345
C A 0001 ALA C 2.477 E A 0002 TYR CA
C A 0001 ALA C 3.305 E A 0002 TYR C
C A 0001 ALA C 3.648 E A 0002 TYR CB
C A 0001 ALA CB 3.709 C A 0039 CYS CB
C A 0001 ALA CA 3.678 C A 0041 ASP CG
C A 0001 ALA CB 3.421 C A 0041 ASP CG
C A 0001 ALA C 3.506 E A 0056 HIS CD2
E A 0002 TYR CA 3.785 E A 0003 VAL CA
E A 0002 TYR C 2.442 E A 0003 VAL CA
E A 0002 TYR C 3.603 E A 0003 VAL C
E A 0002 TYR C 3.327 E A 0003 VAL CB
E A 0002 TYR C 3.154 E A 0003 VAL CG2
E A 0002 TYR CB 3.783 C A 0054 ILE CG2
E A 0003 VAL CA 3.780 C A 0004 ILE CA
E A 0003 VAL C 2.443 C A 0004 ILE CA
E A 0003 VAL C 3.032 C A 0004 ILE C
E A 0003 VAL C 3.682 C A 0004 ILE CB
E A 0003 VAL CB 3.595 H A 0068 ILE CG1
E A 0003 VAL CB 3.586 H A 0068 ILE CD1
E A 0003 VAL CG1 3.665 H A 0068 ILE CG1
E A 0003 VAL CG1 3.526 H A 0068 ILE CD1
E A 0003 VAL CG1 3.451 H A 0071 ASN CB
E A 0003 VAL CG1 3.353 H A 0071 ASN CG
C A 0004 ILE CA 3.791 C A 0005 THR CA
C A 0004 ILE C 2.436 C A 0005 THR CA
C A 0004 ILE C 3.593 C A 0005 THR C
C A 0004 ILE C 3.357 C A 0005 THR CB
C A 0004 ILE C 3.411 C A 0005 THR CG2
C A 0005 THR CA 3.799 H A 0006 GLU CA
C A 0005 THR C 2.510 H A 0006 GLU CA
C A 0005 THR C 2.981 H A 0006 GLU C
C A 0005 THR C 3.632 H A 0006 GLU CB
C A 0005 THR C 3.501 H A 0007 PRO CD
C A 0005 THR CG2 3.391 C A 0060 VAL CG2
H A 0006 GLU CA 3.039 H A 0007 PRO CD
H A 0006 GLU C 2.467 H A 0007 PRO CA
H A 0006 GLU C 3.090 H A 0007 PRO C
H A 0006 GLU C 3.702 H A 0007 PRO CB
H A 0006 GLU C 3.671 H A 0007 PRO CG
H A 0006 GLU C 2.510 H A 0007 PRO CD
H A 0006 GLU CB 3.197 H A 0007 PRO CD
H A 0006 GLU CB 3.724 H A 0064 TRP CD2
H A 0006 GLU CB 3.385 H A 0064 TRP CE2
H A 0006 GLU CB 3.371 H A 0064 TRP CZ2
H A 0006 GLU CB 3.589 H A 0064 TRP CH2
H A 0006 GLU CG 3.450 H A 0064 TRP CZ2
H A 0007 PRO C 2.425 H A 0008 CYS CA
H A 0007 PRO C 3.092 H A 0008 CYS C
H A 0007 PRO C 3.685 H A 0008 CYS CB
H A 0008 CYS C 2.458 C A 0009 ILE CA
H A 0008 CYS C 2.936 C A 0009 ILE C
H A 0008 CYS C 3.748 C A 0009 ILE CB
C A 0009 ILE C 2.454 C A 0010 GLY CA
C A 0009 ILE C 3.218 C A 0010 GLY C
C A 0009 ILE CG1 3.384 C A 0031 GLN CD
C A 0009 ILE CD1 3.608 H A 0067 TYR CZ
C A 0010 GLY C 2.455 C A 0011 THR CA
C A 0010 GLY C 2.943 C A 0011 THR C
C A 0010 GLY C 3.726 C A 0011 THR CB
C A 0011 THR C 2.496 C A 0012 LYS CA
C A 0011 THR C 3.287 C A 0012 LYS C
C A 0011 THR C 3.041 C A 0012 LYS CB
C A 0012 LYS C 2.492 C A 0013 ASP CA
C A 0012 LYS C 3.635 C A 0013 ASP C
C A 0012 LYS C 3.352 C A 0013 ASP CB
C A 0012 LYS C 3.768 C A 0013 ASP CG
C A 0012 LYS CG 3.786 C A 0030 ASP C
C A 0013 ASP C 2.482 C A 0014 ALA CA
C A 0013 ASP C 3.767 C A 0014 ALA C
C A 0013 ASP C 3.101 C A 0014 ALA CB
C A 0013 ASP CG 3.593 E A 0032 TYR CE1
C A 0014 ALA CA 3.087 C A 0015 SER CA
C A 0014 ALA C 2.531 C A 0015 SER CA
C A 0014 ALA C 3.646 C A 0015 SER C
C A 0014 ALA C 3.415 C A 0015 SER CB
C A 0014 ALA CB 3.507 C A 0015 SER CA
C A 0015 SER C 2.465 C A 0016 CYS CA
C A 0015 SER C 3.246 C A 0016 CYS C
C A 0015 SER C 3.658 C A 0016 CYS CB
C A 0016 CYS C 2.525 H A 0017 VAL CA
C A 0016 CYS C 3.010 H A 0017 VAL C
C A 0016 CYS C 3.579 H A 0017 VAL CB
C A 0016 CYS C 3.757 H A 0017 VAL CG1
H A 0017 VAL C 2.459 H A 0018 GLU CA
H A 0017 VAL C 3.089 H A 0018 GLU C
H A 0017 VAL C 3.726 H A 0018 GLU CB
H A 0018 GLU C 2.429 H A 0019 VAL CA
H A 0018 GLU C 3.115 H A 0019 VAL C
H A 0018 GLU C 3.726 H A 0019 VAL CB
H A 0019 VAL C 2.441 C A 0020 CYS CA
H A 0019 VAL C 3.188 C A 0020 CYS C
H A 0019 VAL C 3.652 C A 0020 CYS CB
C A 0020 CYS CA 2.942 C A 0021 PRO CD
C A 0020 CYS C 2.478 C A 0021 PRO CA
C A 0020 CYS C 3.031 C A 0021 PRO C
C A 0020 CYS C 3.686 C A 0021 PRO CB
C A 0020 CYS C 3.701 C A 0021 PRO CG
C A 0020 CYS C 2.499 C A 0021 PRO CD
C A 0020 CYS CB 3.288 E A 0025 ILE CD1
C A 0021 PRO C 2.472 C A 0022 VAL CA
C A 0021 PRO C 3.496 C A 0022 VAL C
C A 0021 PRO C 3.521 C A 0022 VAL CB
C A 0021 PRO C 3.609 C A 0022 VAL CG1
C A 0022 VAL C 2.532 C A 0023 ASP CA
C A 0022 VAL C 3.132 C A 0023 ASP C
C A 0022 VAL C 3.371 C A 0023 ASP CB
C A 0022 VAL C 3.603 C A 0023 ASP CG
C A 0023 ASP C 2.451 C A 0024 CYS CA
C A 0023 ASP C 3.276 C A 0024 CYS C
C A 0023 ASP C 3.667 C A 0024 CYS CB
C A 0024 CYS C 2.476 E A 0025 ILE CA
C A 0024 CYS C 3.255 E A 0025 ILE C
C A 0024 CYS C 3.686 E A 0025 ILE CB
C A 0024 CYS C 3.797 E A 0025 ILE CD1
C A 0024 CYS C 3.627 E A 0026 HIS CD2
C A 0024 CYS CB 3.561 C A 0038 VAL CG1
E A 0025 ILE C 2.447 E A 0026 HIS CA
E A 0025 ILE C 3.569 E A 0026 HIS C
E A 0025 ILE C 3.339 E A 0026 HIS CB
E A 0025 ILE C 3.322 E A 0026 HIS CG
E A 0025 ILE CG2 3.667 E A 0032 TYR CB
E A 0025 ILE CG2 3.797 E A 0032 TYR CG
E A 0025 ILE CG2 3.608 E A 0032 TYR CD2
E A 0026 HIS C 2.431 E A 0027 GLU CA
E A 0026 HIS C 3.081 E A 0027 GLU C
E A 0026 HIS C 3.711 E A 0027 GLU CB
E A 0026 HIS CB 3.751 H A 0075 PHE CE1
E A 0026 HIS CB 3.718 H A 0075 PHE CZ
E A 0026 HIS CD2 3.493 H A 0075 PHE CE1
E A 0026 HIS CD2 3.684 H A 0075 PHE CZ
E A 0027 GLU CA 3.792 C A 0028 GLY CA
E A 0027 GLU C 2.441 C A 0028 GLY CA
E A 0027 GLU C 3.495 C A 0028 GLY C
E A 0027 GLU CG 3.588 E A 0032 TYR CD2
E A 0027 GLU CG 3.767 E A 0032 TYR CE2
E A 0027 GLU CD 3.788 E A 0032 TYR CG
E A 0027 GLU CD 3.305 E A 0032 TYR CD2
E A 0027 GLU CD 3.380 E A 0032 TYR CE2
C A 0028 GLY C 2.459 C A 0029 GLU CA
C A 0028 GLY C 3.034 C A 0029 GLU C
C A 0028 GLY C 3.700 C A 0029 GLU CB
C A 0028 GLY CA 3.586 E A 0033 TYR CD1
C A 0028 GLY CA 3.539 E A 0033 TYR CE1
C A 0028 GLY CA 3.618 H A 0074 PHE CE2
C A 0029 GLU C 2.471 C A 0030 ASP CA
C A 0029 GLU C 3.411 C A 0030 ASP C
C A 0029 GLU C 3.518 C A 0030 ASP CB
C A 0030 ASP C 2.470 C A 0031 GLN CA
C A 0030 ASP C 3.229 C A 0031 GLN C
C A 0030 ASP C 3.698 C A 0031 GLN CB
C A 0031 GLN CA 3.764 E A 0032 TYR CA
C A 0031 GLN C 2.413 E A 0032 TYR CA
C A 0031 GLN C 3.135 E A 0032 TYR C
C A 0031 GLN C 3.704 E A 0032 TYR CB
E A 0032 TYR CA 3.786 E A 0033 TYR CA
E A 0032 TYR C 2.488 E A 0033 TYR CA
E A 0032 TYR C 3.516 E A 0033 TYR C
E A 0032 TYR C 3.498 E A 0033 TYR CB
E A 0032 TYR C 3.610 E A 0033 TYR CG
E A 0032 TYR C 3.215 E A 0033 TYR CD1
E A 0033 TYR C 2.471 E A 0034 ILE CA
E A 0033 TYR C 3.546 E A 0034 ILE C
E A 0033 TYR C 3.429 E A 0034 ILE CB
E A 0033 TYR C 3.335 E A 0034 ILE CG1
E A 0033 TYR CD2 3.601 H A 0071 ASN CG
E A 0033 TYR CG 3.569 H A 0074 PHE CD2
E A 0033 TYR CG 3.700 H A 0074 PHE CE2
E A 0033 TYR CD1 3.500 H A 0074 PHE CE2
E A 0034 ILE C 2.430 C A 0035 ASP CA
E A 0034 ILE C 3.142 C A 0035 ASP C
E A 0034 ILE C 3.692 C A 0035 ASP CB
E A 0034 ILE C 3.574 H A 0075 PHE CE2
C A 0035 ASP CA 3.049 C A 0036 PRO CD
C A 0035 ASP C 2.440 C A 0036 PRO CA
C A 0035 ASP C 3.157 C A 0036 PRO C
C A 0035 ASP C 3.675 C A 0036 PRO CB
C A 0035 ASP C 3.649 C A 0036 PRO CG
C A 0035 ASP C 2.534 C A 0036 PRO CD
C A 0035 ASP CG 3.705 C A 0038 VAL CB
C A 0035 ASP CG 3.511 C A 0038 VAL CG2
C A 0035 ASP CA 3.552 H A 0075 PHE CD2
C A 0035 ASP CB 3.535 H A 0075 PHE CD2
C A 0036 PRO C 2.440 C A 0037 ASP CA
C A 0036 PRO C 3.256 C A 0037 ASP C
C A 0036 PRO C 3.540 C A 0037 ASP CB
C A 0037 ASP C 2.464 C A 0038 VAL CA
C A 0037 ASP C 3.136 C A 0038 VAL C
C A 0037 ASP C 3.711 C A 0038 VAL CB
C A 0038 VAL C 2.450 C A 0039 CYS CA
C A 0038 VAL C 2.936 C A 0039 CYS C
C A 0038 VAL C 3.695 C A 0039 CYS CB
C A 0039 CYS C 2.452 C A 0040 ILE CA
C A 0039 CYS C 3.350 C A 0040 ILE C
C A 0039 CYS C 3.612 C A 0040 ILE CB
C A 0040 ILE C 2.465 C A 0041 ASP CA
C A 0040 ILE C 2.963 C A 0041 ASP C
C A 0040 ILE C 3.220 C A 0041 ASP CB
C A 0040 ILE CD1 3.580 C A 0042 CYS CB
C A 0041 ASP C 2.463 C A 0042 CYS CA
C A 0041 ASP C 3.539 C A 0042 CYS C
C A 0041 ASP C 3.405 C A 0042 CYS CB
C A 0042 CYS C 2.463 C A 0043 GLY CA
C A 0042 CYS C 3.479 C A 0043 GLY C
C A 0043 GLY C 2.442 H A 0044 ALA CA
C A 0043 GLY C 3.067 H A 0044 ALA C
C A 0043 GLY C 3.712 H A 0044 ALA CB
H A 0044 ALA C 2.452 H A 0045 CYS CA
H A 0044 ALA C 3.011 H A 0045 CYS C
H A 0044 ALA C 3.700 H A 0045 CYS CB
H A 0045 CYS C 2.487 H A 0046 GLU CA
H A 0045 CYS C 2.951 H A 0046 GLU C
H A 0045 CYS C 3.737 H A 0046 GLU CB
H A 0045 CYS CB 3.781 C A 0054 ILE CD1
H A 0046 GLU C 2.446 H A 0047 ALA CA
H A 0046 GLU C 3.081 H A 0047 ALA C
H A 0046 GLU C 3.710 H A 0047 ALA CB
H A 0047 ALA C 2.443 H A 0048 VAL CA
H A 0047 ALA C 3.153 H A 0048 VAL C
H A 0047 ALA C 3.673 H A 0048 VAL CB
H A 0048 VAL C 2.456 C A 0049 CYS CA
H A 0048 VAL C 3.036 C A 0049 CYS C
H A 0048 VAL C 3.703 C A 0049 CYS CB
C A 0049 CYS CA 2.973 H A 0050 PRO CD
C A 0049 CYS C 2.455 H A 0050 PRO CA
C A 0049 CYS C 2.960 H A 0050 PRO C
C A 0049 CYS C 3.683 H A 0050 PRO CB
C A 0049 CYS C 3.698 H A 0050 PRO CG
C A 0049 CYS C 2.500 H A 0050 PRO CD
H A 0050 PRO C 2.475 H A 0051 VAL CA
H A 0050 PRO C 3.070 H A 0051 VAL C
H A 0050 PRO C 3.121 H A 0051 VAL CB
H A 0050 PRO C 3.305 H A 0051 VAL CG2
H A 0051 VAL C 2.471 H A 0052 SER CA
H A 0051 VAL C 2.968 H A 0052 SER C
H A 0051 VAL C 3.180 H A 0052 SER CB
H A 0052 SER C 2.455 C A 0053 ALA CA
H A 0052 SER C 2.952 C A 0053 ALA C
H A 0052 SER C 3.737 C A 0053 ALA CB
C A 0053 ALA C 2.449 C A 0054 ILE CA
C A 0053 ALA C 3.034 C A 0054 ILE C
C A 0053 ALA C 3.720 C A 0054 ILE CB
C A 0054 ILE C 2.466 E A 0055 TYR CA
C A 0054 ILE C 3.495 E A 0055 TYR C
C A 0054 ILE C 3.505 E A 0055 TYR CB
C A 0054 ILE C 3.784 E A 0055 TYR CG
E A 0055 TYR CA 3.788 E A 0056 HIS CA
E A 0055 TYR C 2.422 E A 0056 HIS CA
E A 0055 TYR C 3.070 E A 0056 HIS C
E A 0055 TYR C 3.669 E A 0056 HIS CB
E A 0055 TYR CB 3.666 C A 0060 VAL CG2
E A 0056 HIS C 2.468 C A 0057 GLU CA
E A 0056 HIS C 3.034 C A 0057 GLU C
E A 0056 HIS C 3.699 C A 0057 GLU CB
E A 0056 HIS CE1 3.537 C A 0057 GLU CG
E A 0056 HIS CB 3.710 C A 0059 PHE CD2
C A 0057 GLU C 2.453 C A 0058 ASP CA
C A 0057 GLU C 3.116 C A 0058 ASP C
C A 0057 GLU C 3.695 C A 0058 ASP CB
C A 0058 ASP C 2.492 C A 0059 PHE CA
C A 0058 ASP C 3.064 C A 0059 PHE C
C A 0058 ASP C 3.698 C A 0059 PHE CB
C A 0059 PHE CA 3.796 C A 0060 VAL CA
C A 0059 PHE C 2.446 C A 0060 VAL CA
C A 0059 PHE C 2.908 C A 0060 VAL C
C A 0059 PHE C 3.703 C A 0060 VAL CB
C A 0060 VAL CA 2.947 C A 0061 PRO CD
C A 0060 VAL C 2.438 C A 0061 PRO CA
C A 0060 VAL C 2.980 C A 0061 PRO C
C A 0060 VAL C 3.677 C A 0061 PRO CB
C A 0060 VAL C 3.698 C A 0061 PRO CG
C A 0060 VAL C 2.492 C A 0061 PRO CD
C A 0060 VAL CG1 3.306 H A 0064 TRP C
C A 0060 VAL CG1 3.705 H A 0068 ILE CG1
C A 0060 VAL CG1 3.659 H A 0068 ILE CD1
C A 0060 VAL CG2 3.798 H A 0068 ILE CD1
C A 0061 PRO C 2.480 H A 0062 GLU CA
C A 0061 PRO C 2.969 H A 0062 GLU C
C A 0061 PRO C 3.639 H A 0062 GLU CB
C A 0061 PRO CG 3.578 H A 0064 TRP CE3
H A 0062 GLU C 2.472 H A 0063 GLU CA
H A 0062 GLU C 2.949 H A 0063 GLU C
H A 0062 GLU C 3.696 H A 0063 GLU CB
H A 0062 GLU CA 3.744 H A 0065 LYS CG
H A 0063 GLU C 2.502 H A 0064 TRP CA
H A 0063 GLU C 3.482 H A 0064 TRP C
H A 0063 GLU C 3.559 H A 0064 TRP CB
H A 0063 GLU C 3.704 H A 0064 TRP CG
H A 0063 GLU C 3.407 H A 0064 TRP CD1
H A 0063 GLU CG 3.732 H A 0064 TRP CD1
H A 0064 TRP C 2.448 H A 0065 LYS CA
H A 0064 TRP C 2.978 H A 0065 LYS C
H A 0064 TRP C 3.739 H A 0065 LYS CB
H A 0064 TRP CG 3.796 H A 0067 TYR CD2
H A 0064 TRP CD1 3.660 H A 0067 TYR CD2
H A 0064 TRP CD1 3.509 H A 0067 TYR CE2
H A 0065 LYS C 2.481 H A 0066 SER CA
H A 0065 LYS C 3.009 H A 0066 SER C
H A 0065 LYS C 3.707 H A 0066 SER CB
H A 0066 SER C 2.449 H A 0067 TYR CA
H A 0066 SER C 2.965 H A 0067 TYR C
H A 0066 SER C 3.753 H A 0067 TYR CB
H A 0067 TYR CA 3.780 H A 0068 ILE CA
H A 0067 TYR C 2.396 H A 0068 ILE CA
H A 0067 TYR C 2.974 H A 0068 ILE C
H A 0067 TYR C 3.651 H A 0068 ILE CB
H A 0067 TYR C 3.713 H A 0068 ILE CD1
H A 0067 TYR C 3.778 H A 0070 LYS CB
H A 0068 ILE CA 3.789 H A 0069 GLN CA
H A 0068 ILE C 2.424 H A 0069 GLN CA
H A 0068 ILE C 2.936 H A 0069 GLN C
H A 0068 ILE C 3.690 H A 0069 GLN CB
H A 0069 GLN C 2.462 H A 0070 LYS CA
H A 0069 GLN C 3.059 H A 0070 LYS C
H A 0069 GLN C 3.741 H A 0070 LYS CB
H A 0070 LYS C 2.459 H A 0071 ASN CA
H A 0070 LYS C 2.955 H A 0071 ASN C
H A 0070 LYS C 3.719 H A 0071 ASN CB
H A 0071 ASN CA 3.778 H A 0072 ARG CA
H A 0071 ASN C 2.398 H A 0072 ARG CA
H A 0071 ASN C 2.903 H A 0072 ARG C
H A 0071 ASN C 3.707 H A 0072 ARG CB
H A 0072 ARG C 2.476 H A 0073 ASP CA
H A 0072 ARG C 2.987 H A 0073 ASP C
H A 0072 ARG C 3.736 H A 0073 ASP CB
H A 0072 ARG C 3.774 C A 0076 LYS CB
H A 0073 ASP CA 3.797 H A 0074 PHE CA
H A 0073 ASP C 2.472 H A 0074 PHE CA
H A 0073 ASP C 2.972 H A 0074 PHE C
H A 0073 ASP C 3.700 H A 0074 PHE CB
H A 0074 PHE C 2.463 H A 0075 PHE CA
H A 0074 PHE C 3.488 H A 0075 PHE C
H A 0074 PHE C 3.496 H A 0075 PHE CB
H A 0074 PHE C 3.506 H A 0075 PHE CG
H A 0074 PHE C 3.649 H A 0075 PHE CD1
H A 0074 PHE CB 3.590 H A 0075 PHE CE2
H A 0074 PHE CB 3.713 H A 0075 PHE CZ
H A 0075 PHE C 2.470 C A 0076 LYS CA
H A 0075 PHE C 3.215 C A 0076 LYS C
H A 0075 PHE C 3.675 C A 0076 LYS CB
C A 0076 LYS CA 3.790 C A 0077 LYS CA
C A 0076 LYS C 2.509 C A 0077 LYS CA
C A 0076 LYS C 3.606 C A 0077 LYS C
C A 0076 LYS C 3.246 C A 0077 LYS CB
C A 0076 LYS C 3.108 C A 0077 LYS CG
C A 0076 LYS C 3.483 C A 0077 LYS CD
CHARGE_ATTR 2.00 12.00 92
H A 0006 GLU OE1 10.46 H A 0070 LYS NZ
C A 0013 ASP OD1 4.330 C A 0012 LYS NZ
C A 0013 ASP OD2 2.617 C A 0012 LYS NZ
C A 0023 ASP OD1 6.986 E A 0026 HIS ND1
C A 0023 ASP OD1 6.527 E A 0026 HIS NE2
C A 0023 ASP OD2 5.381 E A 0026 HIS ND1
C A 0023 ASP OD2 5.570 E A 0026 HIS NE2
E A 0027 GLU OE1 2.870 C A 0012 LYS NZ
E A 0027 GLU OE2 2.657 C A 0012 LYS NZ
E A 0027 GLU OE1 9.100 E A 0026 HIS ND1
E A 0027 GLU OE1 10.76 E A 0026 HIS NE2
E A 0027 GLU OE2 9.664 E A 0026 HIS ND1
E A 0027 GLU OE2 11.56 E A 0026 HIS NE2
E A 0027 GLU OE1 10.73 H A 0070 LYS NZ
C A 0029 GLU OE1 10.28 C A 0012 LYS NZ
C A 0029 GLU OE1 3.019 H A 0070 LYS NZ
C A 0029 GLU OE2 2.640 H A 0070 LYS NZ
C A 0030 ASP OD1 7.026 C A 0012 LYS NZ
C A 0030 ASP OD2 6.754 C A 0012 LYS NZ
C A 0030 ASP OD1 10.89 H A 0070 LYS NZ
C A 0030 ASP OD2 9.621 H A 0070 LYS NZ
C A 0035 ASP OD1 9.203 E A 0026 HIS ND1
C A 0035 ASP OD1 7.118 E A 0026 HIS NE2
C A 0035 ASP OD2 8.110 E A 0026 HIS ND1
C A 0035 ASP OD2 6.074 E A 0026 HIS NE2
C A 0035 ASP OD1 11.79 E A 0056 HIS NE2
C A 0035 ASP OD1 8.239 H A 0072 ARG NH1
C A 0035 ASP OD1 7.015 H A 0072 ARG NH2
C A 0035 ASP OD2 9.801 H A 0072 ARG NH1
C A 0035 ASP OD2 8.829 H A 0072 ARG NH2
C A 0035 ASP OD1 10.94 C A 0076 LYS NZ
C A 0035 ASP OD2 10.30 C A 0076 LYS NZ
C A 0035 ASP OD1 8.945 C A 0077 LYS NZ
C A 0035 ASP OD2 7.045 C A 0077 LYS NZ
C A 0037 ASP OD2 11.58 E A 0026 HIS NE2
C A 0037 ASP OD1 10.59 E A 0056 HIS ND1
C A 0037 ASP OD1 8.872 E A 0056 HIS NE2
C A 0037 ASP OD2 10.64 E A 0056 HIS NE2
C A 0037 ASP OD1 4.573 H A 0072 ARG NH1
C A 0037 ASP OD1 2.636 H A 0072 ARG NH2
C A 0037 ASP OD2 4.957 H A 0072 ARG NH1
C A 0037 ASP OD2 3.890 H A 0072 ARG NH2
C A 0037 ASP OD1 10.49 C A 0076 LYS NZ
C A 0037 ASP OD2 8.466 C A 0076 LYS NZ
C A 0037 ASP OD1 11.62 C A 0077 LYS NZ
C A 0037 ASP OD2 9.664 C A 0077 LYS NZ
C A 0041 ASP OD1 4.959 E A 0056 HIS ND1
C A 0041 ASP OD1 2.973 E A 0056 HIS NE2
C A 0041 ASP OD2 6.110 E A 0056 HIS ND1
C A 0041 ASP OD2 3.988 E A 0056 HIS NE2
C A 0041 ASP OD1 8.863 H A 0072 ARG NH1
C A 0041 ASP OD1 7.595 H A 0072 ARG NH2
C A 0041 ASP OD2 8.761 H A 0072 ARG NH1
C A 0041 ASP OD2 7.115 H A 0072 ARG NH2
H A 0046 GLU OE1 8.256 E A 0056 HIS ND1
H A 0046 GLU OE1 8.468 E A 0056 HIS NE2
H A 0046 GLU OE2 9.843 E A 0056 HIS ND1
H A 0046 GLU OE2 10.37 E A 0056 HIS NE2
C A 0057 GLU OE1 6.238 E A 0056 HIS ND1
C A 0057 GLU OE1 5.457 E A 0056 HIS NE2
C A 0057 GLU OE2 5.345 E A 0056 HIS ND1
C A 0057 GLU OE2 3.920 E A 0056 HIS NE2
C A 0057 GLU OE1 8.537 H A 0065 LYS NZ
C A 0057 GLU OE2 9.824 H A 0065 LYS NZ
C A 0057 GLU OE1 2.603 H A 0072 ARG NH1
C A 0057 GLU OE1 2.972 H A 0072 ARG NH2
C A 0057 GLU OE2 3.971 H A 0072 ARG NH1
C A 0057 GLU OE2 3.159 H A 0072 ARG NH2
C A 0058 ASP OD1 5.860 E A 0056 HIS ND1
C A 0058 ASP OD1 7.459 E A 0056 HIS NE2
C A 0058 ASP OD2 5.207 E A 0056 HIS ND1
C A 0058 ASP OD2 7.169 E A 0056 HIS NE2
C A 0058 ASP OD1 5.066 H A 0065 LYS NZ
C A 0058 ASP OD2 6.042 H A 0065 LYS NZ
C A 0058 ASP OD1 9.985 H A 0072 ARG NH1
C A 0058 ASP OD1 10.75 H A 0072 ARG NH2
C A 0058 ASP OD2 11.24 H A 0072 ARG NH1
C A 0058 ASP OD2 11.82 H A 0072 ARG NH2
H A 0062 GLU OE1 11.77 E A 0056 HIS ND1
H A 0062 GLU OE2 10.71 E A 0056 HIS ND1
H A 0062 GLU OE1 3.980 H A 0065 LYS NZ
H A 0062 GLU OE2 2.626 H A 0065 LYS NZ
H A 0062 GLU OE2 11.73 H A 0072 ARG NH1
H A 0063 GLU OE1 10.72 H A 0065 LYS NZ
H A 0073 ASP OD1 9.853 H A 0070 LYS NZ
H A 0073 ASP OD2 8.266 H A 0070 LYS NZ
H A 0073 ASP OD1 10.79 H A 0072 ARG NH1
H A 0073 ASP OD1 11.88 H A 0072 ARG NH2
H A 0073 ASP OD1 2.636 C A 0076 LYS NZ
H A 0073 ASP OD2 4.828 C A 0076 LYS NZ
H A 0073 ASP OD1 8.647 C A 0077 LYS NZ
H A 0073 ASP OD2 10.00 C A 0077 LYS NZ
CHARGE_REPU 2.00 12.00 104
H A 0006 GLU OE1 11.01 C A 0029 GLU OE1
H A 0006 GLU OE1 11.79 C A 0029 GLU OE2
H A 0006 GLU OE1 11.02 C A 0030 ASP OD1
H A 0006 GLU OE1 9.429 C A 0030 ASP OD2
H A 0006 GLU OE2 11.94 C A 0030 ASP OD1
H A 0006 GLU OE2 10.60 C A 0030 ASP OD2
H A 0006 GLU OE1 7.616 H A 0063 GLU OE1
H A 0006 GLU OE1 6.578 H A 0063 GLU OE2
H A 0006 GLU OE2 6.992 H A 0063 GLU OE1
H A 0006 GLU OE2 5.734 H A 0063 GLU OE2
C A 0012 LYS NZ 11.55 E A 0026 HIS ND1
C A 0013 ASP OD1 8.613 H A 0018 GLU OE1
C A 0013 ASP OD1 10.22 H A 0018 GLU OE2
C A 0013 ASP OD2 10.66 H A 0018 GLU OE1
C A 0013 ASP OD1 6.254 E A 0027 GLU OE1
C A 0013 ASP OD1 5.395 E A 0027 GLU OE2
C A 0013 ASP OD2 5.157 E A 0027 GLU OE1
C A 0013 ASP OD2 4.206 E A 0027 GLU OE2
C A 0013 ASP OD1 10.54 C A 0030 ASP OD1
C A 0013 ASP OD1 10.14 C A 0030 ASP OD2
C A 0013 ASP OD2 8.651 C A 0030 ASP OD1
C A 0013 ASP OD2 8.538 C A 0030 ASP OD2
H A 0018 GLU OE1 11.96 C A 0023 ASP OD2
C A 0023 ASP OD1 10.93 C A 0035 ASP OD1
C A 0023 ASP OD1 10.56 C A 0035 ASP OD2
C A 0023 ASP OD2 11.30 C A 0035 ASP OD1
C A 0023 ASP OD2 10.66 C A 0035 ASP OD2
E A 0026 HIS ND1 11.78 C A 0077 LYS NZ
E A 0026 HIS NE2 10.51 C A 0077 LYS NZ
E A 0027 GLU OE1 8.487 C A 0029 GLU OE1
E A 0027 GLU OE1 10.50 C A 0029 GLU OE2
E A 0027 GLU OE2 10.31 C A 0029 GLU OE1
E A 0027 GLU OE1 7.997 C A 0030 ASP OD1
E A 0027 GLU OE1 7.352 C A 0030 ASP OD2
E A 0027 GLU OE2 8.861 C A 0030 ASP OD1
E A 0027 GLU OE2 8.660 C A 0030 ASP OD2
C A 0029 GLU OE1 8.421 C A 0030 ASP OD1
C A 0029 GLU OE1 7.481 C A 0030 ASP OD2
C A 0029 GLU OE2 10.13 C A 0030 ASP OD1
C A 0029 GLU OE2 9.374 C A 0030 ASP OD2
C A 0029 GLU OE1 10.86 H A 0073 ASP OD2
C A 0029 GLU OE2 11.23 H A 0073 ASP OD1
C A 0029 GLU OE2 9.440 H A 0073 ASP OD2
C A 0035 ASP OD1 5.353 C A 0037 ASP OD1
C A 0035 ASP OD1 4.687 C A 0037 ASP OD2
C A 0035 ASP OD2 7.067 C A 0037 ASP OD1
C A 0035 ASP OD2 5.862 C A 0037 ASP OD2
C A 0035 ASP OD1 10.64 C A 0041 ASP OD1
C A 0035 ASP OD1 10.41 C A 0041 ASP OD2
C A 0035 ASP OD1 9.690 C A 0057 GLU OE1
C A 0035 ASP OD1 8.904 C A 0057 GLU OE2
C A 0035 ASP OD2 11.55 C A 0057 GLU OE1
C A 0035 ASP OD2 10.97 C A 0057 GLU OE2
C A 0035 ASP OD1 11.48 H A 0073 ASP OD1
C A 0035 ASP OD2 10.75 H A 0073 ASP OD1
C A 0035 ASP OD2 11.99 H A 0073 ASP OD2
C A 0037 ASP OD1 8.619 C A 0041 ASP OD1
C A 0037 ASP OD1 7.760 C A 0041 ASP OD2
C A 0037 ASP OD2 10.49 C A 0041 ASP OD1
C A 0037 ASP OD2 9.828 C A 0041 ASP OD2
C A 0037 ASP OD1 5.556 C A 0057 GLU OE1
C A 0037 ASP OD1 5.279 C A 0057 GLU OE2
C A 0037 ASP OD2 6.760 C A 0057 GLU OE1
C A 0037 ASP OD2 6.889 C A 0057 GLU OE2
C A 0037 ASP OD1 11.67 H A 0073 ASP OD1
C A 0037 ASP OD2 9.647 H A 0073 ASP OD1
C A 0037 ASP OD2 11.36 H A 0073 ASP OD2
C A 0041 ASP OD1 7.910 H A 0046 GLU OE1
C A 0041 ASP OD1 10.06 H A 0046 GLU OE2
C A 0041 ASP OD2 9.891 H A 0046 GLU OE1
C A 0041 ASP OD1 7.124 C A 0057 GLU OE1
C A 0041 ASP OD1 5.019 C A 0057 GLU OE2
C A 0041 ASP OD2 7.017 C A 0057 GLU OE1
C A 0041 ASP OD2 4.997 C A 0057 GLU OE2
C A 0041 ASP OD1 10.38 C A 0058 ASP OD1
C A 0041 ASP OD1 9.983 C A 0058 ASP OD2
C A 0041 ASP OD2 10.76 C A 0058 ASP OD1
C A 0041 ASP OD2 10.66 C A 0058 ASP OD2
H A 0046 GLU OE1 11.71 C A 0057 GLU OE2
H A 0046 GLU OE1 11.78 C A 0058 ASP OD2
E A 0056 HIS ND1 8.276 H A 0065 LYS NZ
E A 0056 HIS NE2 9.843 H A 0065 LYS NZ
E A 0056 HIS ND1 8.544 H A 0072 ARG NH1
E A 0056 HIS ND1 8.457 H A 0072 ARG NH2
E A 0056 HIS NE2 7.678 H A 0072 ARG NH1
E A 0056 HIS NE2 7.058 H A 0072 ARG NH2
C A 0057 GLU OE1 7.817 C A 0058 ASP OD1
C A 0057 GLU OE1 8.952 C A 0058 ASP OD2
C A 0057 GLU OE2 8.550 C A 0058 ASP OD1
C A 0057 GLU OE2 9.214 C A 0058 ASP OD2
C A 0057 GLU OE1 10.78 H A 0062 GLU OE2
C A 0058 ASP OD1 7.996 H A 0062 GLU OE1
C A 0058 ASP OD1 6.505 H A 0062 GLU OE2
C A 0058 ASP OD2 8.561 H A 0062 GLU OE1
C A 0058 ASP OD2 7.569 H A 0062 GLU OE2
H A 0062 GLU OE1 8.483 H A 0063 GLU OE1
H A 0062 GLU OE1 10.30 H A 0063 GLU OE2
H A 0062 GLU OE2 10.20 H A 0063 GLU OE1
H A 0062 GLU OE2 11.85 H A 0063 GLU OE2
H A 0065 LYS NZ 9.648 H A 0072 ARG NH1
H A 0065 LYS NZ 11.31 H A 0072 ARG NH2
H A 0072 ARG NH1 10.23 C A 0076 LYS NZ
H A 0072 ARG NH2 11.02 C A 0076 LYS NZ
C A 0076 LYS NZ 7.871 C A 0077 LYS NZ
HB_MM 2.00 3.20 136
E A 0002 TYR N 2.256 C A 0001 ALA O
E A 0003 VAL N 2.257 E A 0002 TYR O
E A 0003 VAL N 2.806 E A 0055 TYR O
C A 0004 ILE N 2.247 E A 0003 VAL O
C A 0005 THR N 2.245 C A 0004 ILE O
H A 0006 GLU N 2.279 C A 0005 THR O
H A 0007 PRO N 3.104 C A 0005 THR O
H A 0007 PRO N 2.237 H A 0006 GLU O
H A 0008 CYS N 3.173 C A 0005 THR O
H A 0008 CYS N 2.956 H A 0006 GLU O
H A 0008 CYS N 2.240 H A 0007 PRO O
C A 0009 ILE N 2.785 H A 0006 GLU O
C A 0009 ILE N 2.238 H A 0008 CYS O
C A 0010 GLY N 3.177 H A 0008 CYS O
C A 0010 GLY N 2.238 C A 0009 ILE O
C A 0011 THR N 3.064 H A 0008 CYS O
C A 0011 THR N 2.902 C A 0009 ILE O
C A 0011 THR N 2.246 C A 0010 GLY O
C A 0012 LYS N 2.815 H A 0008 CYS O
C A 0012 LYS N 2.255 C A 0011 THR O
C A 0013 ASP N 2.777 C A 0011 THR O
C A 0013 ASP N 2.265 C A 0012 LYS O
C A 0014 ALA N 2.255 C A 0013 ASP O
C A 0015 SER N 2.221 C A 0014 ALA O
C A 0016 CYS N 2.258 C A 0015 SER O
H A 0017 VAL N 2.263 C A 0016 CYS O
H A 0018 GLU N 2.789 C A 0016 CYS O
H A 0018 GLU N 2.244 H A 0017 VAL O
H A 0019 VAL N 3.020 C A 0016 CYS O
H A 0019 VAL N 3.074 H A 0017 VAL O
H A 0019 VAL N 2.244 H A 0018 GLU O
C A 0020 CYS N 2.244 H A 0019 VAL O
C A 0021 PRO N 2.255 C A 0020 CYS O
C A 0022 VAL N 3.030 C A 0020 CYS O
C A 0022 VAL N 2.256 C A 0021 PRO O
C A 0023 ASP N 2.941 C A 0020 CYS O
C A 0023 ASP N 2.268 C A 0022 VAL O
C A 0024 CYS N 2.702 C A 0022 VAL O
C A 0024 CYS N 2.222 C A 0023 ASP O
E A 0025 ILE N 2.850 C A 0023 ASP O
E A 0025 ILE N 2.255 C A 0024 CYS O
E A 0026 HIS N 2.245 E A 0025 ILE O
E A 0026 HIS N 2.844 E A 0033 TYR O
E A 0027 GLU N 2.237 E A 0026 HIS O
C A 0028 GLY N 2.256 E A 0027 GLU O
C A 0028 GLY N 2.879 C A 0031 GLN O
C A 0029 GLU N 2.256 C A 0028 GLY O
C A 0030 ASP N 2.261 C A 0029 GLU O
C A 0031 GLN N 2.254 C A 0030 ASP O
E A 0032 TYR N 2.262 C A 0031 GLN O
E A 0033 TYR N 2.746 E A 0026 HIS O
E A 0033 TYR N 2.262 E A 0032 TYR O
E A 0034 ILE N 2.252 E A 0033 TYR O
C A 0035 ASP N 2.998 C A 0024 CYS O
C A 0035 ASP N 2.249 E A 0034 ILE O
C A 0036 PRO N 2.253 C A 0035 ASP O
C A 0037 ASP N 2.243 C A 0036 PRO O
C A 0038 VAL N 2.250 C A 0037 ASP O
C A 0039 CYS N 2.900 C A 0035 ASP O
C A 0039 CYS N 2.254 C A 0038 VAL O
C A 0040 ILE N 2.239 C A 0039 CYS O
C A 0041 ASP N 2.249 C A 0040 ILE O
C A 0042 CYS N 2.253 C A 0041 ASP O
C A 0043 GLY N 2.247 C A 0042 CYS O
H A 0044 ALA N 2.243 C A 0043 GLY O
H A 0045 CYS N 2.253 H A 0044 ALA O
H A 0046 GLU N 2.256 H A 0045 CYS O
H A 0047 ALA N 3.111 H A 0044 ALA O
H A 0047 ALA N 3.161 H A 0045 CYS O
H A 0047 ALA N 2.255 H A 0046 GLU O
H A 0048 VAL N 2.943 H A 0045 CYS O
H A 0048 VAL N 2.249 H A 0047 ALA O
C A 0049 CYS N 2.825 H A 0045 CYS O
C A 0049 CYS N 2.254 H A 0048 VAL O
H A 0050 PRO N 2.249 C A 0049 CYS O
H A 0051 VAL N 3.047 C A 0049 CYS O
H A 0051 VAL N 2.252 H A 0050 PRO O
H A 0052 SER N 2.831 C A 0049 CYS O
H A 0052 SER N 3.067 H A 0050 PRO O
H A 0052 SER N 2.249 H A 0051 VAL O
C A 0053 ALA N 2.246 H A 0052 SER O
C A 0054 ILE N 3.144 H A 0052 SER O
C A 0054 ILE N 2.246 C A 0053 ALA O
E A 0055 TYR N 2.779 E A 0003 VAL O
E A 0055 TYR N 3.178 C A 0053 ALA O
E A 0055 TYR N 2.253 C A 0054 ILE O
E A 0056 HIS N 2.239 E A 0055 TYR O
C A 0057 GLU N 3.149 C A 0001 ALA O
C A 0057 GLU N 2.252 E A 0056 HIS O
C A 0058 ASP N 2.947 E A 0056 HIS O
C A 0058 ASP N 2.243 C A 0057 GLU O
C A 0059 PHE N 2.970 E A 0056 HIS O
C A 0059 PHE N 2.272 C A 0058 ASP O
C A 0060 VAL N 2.801 E A 0056 HIS O
C A 0060 VAL N 2.257 C A 0059 PHE O
C A 0061 PRO N 3.190 C A 0059 PHE O
C A 0061 PRO N 2.252 C A 0060 VAL O
H A 0062 GLU N 2.241 C A 0061 PRO O
H A 0063 GLU N 3.134 C A 0061 PRO O
H A 0063 GLU N 2.258 H A 0062 GLU O
H A 0064 TRP N 2.681 C A 0061 PRO O
H A 0064 TRP N 3.063 H A 0062 GLU O
H A 0064 TRP N 2.255 H A 0063 GLU O
H A 0065 LYS N 2.803 C A 0061 PRO O
H A 0065 LYS N 3.019 H A 0062 GLU O
H A 0065 LYS N 2.231 H A 0064 TRP O
H A 0066 SER N 3.090 H A 0064 TRP O
H A 0066 SER N 2.247 H A 0065 LYS O
H A 0067 TYR N 2.902 H A 0064 TRP O
H A 0067 TYR N 2.245 H A 0066 SER O
H A 0068 ILE N 3.103 H A 0064 TRP O
H A 0068 ILE N 2.233 H A 0067 TYR O
H A 0069 GLN N 2.949 H A 0065 LYS O
H A 0069 GLN N 3.116 H A 0066 SER O
H A 0069 GLN N 2.251 H A 0068 ILE O
H A 0070 LYS N 2.802 H A 0066 SER O
H A 0070 LYS N 2.964 H A 0067 TYR O
H A 0070 LYS N 2.238 H A 0069 GLN O
H A 0071 ASN N 2.756 H A 0067 TYR O
H A 0071 ASN N 2.241 H A 0070 LYS O
H A 0072 ARG N 2.925 H A 0068 ILE O
H A 0072 ARG N 3.168 H A 0069 GLN O
H A 0072 ARG N 2.243 H A 0071 ASN O
H A 0073 ASP N 2.734 H A 0069 GLN O
H A 0073 ASP N 2.913 H A 0070 LYS O
H A 0073 ASP N 2.248 H A 0072 ARG O
H A 0074 PHE N 2.805 H A 0070 LYS O
H A 0074 PHE N 3.051 H A 0072 ARG O
H A 0074 PHE N 2.265 H A 0073 ASP O
H A 0075 PHE N 2.799 H A 0072 ARG O
H A 0075 PHE N 3.083 H A 0073 ASP O
H A 0075 PHE N 2.253 H A 0074 PHE O
C A 0076 LYS N 2.720 H A 0072 ARG O
C A 0076 LYS N 3.073 H A 0073 ASP O
C A 0076 LYS N 2.243 H A 0075 PHE O
C A 0077 LYS N 2.252 C A 0076 LYS O
HB_MS 2.00 3.20 23
C A 0001 ALA N 2.556 C A 0041 ASP OD1
C A 0001 ALA N 2.811 C A 0041 ASP OD2
C A 0001 ALA N 2.592 C A 0057 GLU OE2
H A 0007 PRO O 2.798 C A 0011 THR OG1
C A 0010 GLY N 2.652 C A 0030 ASP OD2
C A 0014 ALA N 2.768 C A 0015 SER OG
C A 0031 GLN N 2.790 C A 0030 ASP OD2
E A 0034 ILE N 2.826 H A 0071 ASN OD1
C A 0036 PRO N 3.125 C A 0035 ASP OD1
C A 0037 ASP N 2.735 C A 0035 ASP OD1
C A 0038 VAL N 2.713 C A 0035 ASP OD1
H A 0046 GLU O 2.803 H A 0052 SER OG
H A 0051 VAL O 2.772 E A 0055 TYR OH
C A 0053 ALA O 2.711 C A 0005 THR OG1
C A 0058 ASP O 2.705 H A 0065 LYS NZ
C A 0060 VAL O 2.638 H A 0065 LYS NZ
H A 0063 GLU O 2.655 H A 0066 SER OG
H A 0065 LYS O 2.852 H A 0069 GLN NE2
H A 0067 TYR N 2.803 H A 0066 SER OG
H A 0067 TYR O 2.808 H A 0071 ASN ND2
H A 0075 PHE O 2.593 C A 0077 LYS NZ
C A 0076 LYS O 2.609 C A 0077 LYS NZ
C A 0077 LYS O 2.561 C A 0076 LYS NZ
HB_SS 2.00 3.20 6
H A 0006 GLU OE1 2.624 H A 0067 TYR OH
C A 0013 ASP OD1 2.611 C A 0015 SER OG
C A 0013 ASP OD1 2.628 E A 0032 TYR OH
C A 0029 GLU OE1 2.554 E A 0033 TYR OH
H A 0046 GLU OE1 2.585 E A 0002 TYR OH
H A 0070 LYS NZ 2.717 E A 0033 TYR OH
AROMATIC 0.00 8.00 6
C A 0012 LYS 3.875 E A 0032 TYR
H A 0070 LYS 3.961 H A 0074 PHE
H A 0074 PHE 5.930 H A 0075 PHE
C A 0077 LYS 7.959 H A 0075 PHE
H A 0072 ARG 7.937 E A 0056 HIS
H A 0070 LYS 7.225 H A 0067 TYR