Complet list of 3gf1 con file
Complete list of 3gf1.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 305
C A 0001 GLY CA 2.912 C A 0002 PRO CD
C A 0001 GLY C 2.457 C A 0002 PRO CA
C A 0001 GLY C 3.242 C A 0002 PRO C
C A 0001 GLY C 3.569 C A 0002 PRO CB
C A 0001 GLY C 3.678 C A 0002 PRO CG
C A 0001 GLY C 2.505 C A 0002 PRO CD
C A 0001 GLY C 3.354 C A 0003 GLU CD
C A 0001 GLY C 3.777 C A 0050 ARG C
C A 0002 PRO C 2.505 C A 0003 GLU CA
C A 0002 PRO C 3.723 C A 0003 GLU C
C A 0002 PRO C 3.251 C A 0003 GLU CB
C A 0002 PRO C 3.483 C A 0003 GLU CD
C A 0003 GLU CA 3.788 C A 0004 THR CA
C A 0003 GLU C 2.503 C A 0004 THR CA
C A 0003 GLU C 3.207 C A 0004 THR C
C A 0003 GLU C 3.737 C A 0004 THR CB
C A 0003 GLU CG 3.708 C A 0051 SER CB
C A 0004 THR C 2.461 C A 0005 LEU CA
C A 0004 THR C 3.269 C A 0005 LEU C
C A 0004 THR C 3.708 C A 0005 LEU CB
C A 0004 THR CA 3.781 H A 0048 CYS C
C A 0005 LEU C 2.460 C A 0006 CYS CA
C A 0005 LEU C 3.505 C A 0006 CYS C
C A 0005 LEU C 3.512 C A 0006 CYS CB
C A 0005 LEU C 3.748 H A 0048 CYS CA
C A 0006 CYS C 2.492 C A 0007 GLY CA
C A 0006 CYS C 3.075 C A 0007 GLY C
C A 0007 GLY C 2.477 H A 0008 ALA CA
C A 0007 GLY C 3.038 H A 0008 ALA C
C A 0007 GLY C 3.730 H A 0008 ALA CB
H A 0008 ALA C 2.479 H A 0009 GLU CA
H A 0008 ALA C 3.142 H A 0009 GLU C
H A 0008 ALA C 3.740 H A 0009 GLU CB
H A 0008 ALA C 3.728 H A 0012 ASP CG
H A 0009 GLU C 2.454 H A 0010 LEU CA
H A 0009 GLU C 3.178 H A 0010 LEU C
H A 0009 GLU C 3.739 H A 0010 LEU CB
H A 0010 LEU C 2.485 H A 0011 VAL CA
H A 0010 LEU C 3.034 H A 0011 VAL C
H A 0010 LEU C 3.763 H A 0011 VAL CB
H A 0010 LEU CB 3.503 H A 0047 CYS CB
H A 0011 VAL C 2.485 H A 0012 ASP CA
H A 0011 VAL C 3.048 H A 0012 ASP C
H A 0011 VAL C 3.766 H A 0012 ASP CB
H A 0012 ASP C 2.487 H A 0013 ALA CA
H A 0012 ASP C 3.085 H A 0013 ALA C
H A 0012 ASP C 3.735 H A 0013 ALA CB
H A 0012 ASP C 3.763 H A 0016 PHE CD2
H A 0013 ALA C 2.489 H A 0014 LEU CA
H A 0013 ALA C 3.101 H A 0014 LEU C
H A 0013 ALA C 3.725 H A 0014 LEU CB
H A 0013 ALA CA 3.736 H A 0016 PHE CE2
H A 0014 LEU C 2.494 H A 0015 GLN CA
H A 0014 LEU C 3.195 H A 0015 GLN C
H A 0014 LEU C 3.721 H A 0015 GLN CB
H A 0014 LEU CB 3.470 C A 0023 PHE CZ
H A 0014 LEU CD2 3.657 C A 0023 PHE CE1
H A 0014 LEU CD2 3.684 C A 0023 PHE CZ
H A 0014 LEU CD2 3.706 C A 0043 ILE CD1
H A 0014 LEU CD2 3.427 H A 0057 LEU CD1
H A 0015 GLN C 2.463 H A 0016 PHE CA
H A 0015 GLN C 3.219 H A 0016 PHE C
H A 0015 GLN C 3.750 H A 0016 PHE CB
H A 0015 GLN CA 3.637 C A 0019 GLY CA
H A 0016 PHE C 2.479 H A 0017 VAL CA
H A 0016 PHE C 3.166 H A 0017 VAL C
H A 0016 PHE C 3.731 H A 0017 VAL CB
H A 0016 PHE CD1 3.671 H A 0017 VAL CG2
H A 0017 VAL C 2.473 C A 0018 CYS CA
H A 0017 VAL C 3.598 C A 0018 CYS C
H A 0017 VAL C 3.474 C A 0018 CYS CB
H A 0017 VAL CG2 3.617 C A 0053 ASP C
H A 0017 VAL CG2 3.745 H A 0054 LEU CA
H A 0017 VAL CG2 3.587 H A 0057 LEU CD2
H A 0017 VAL CG1 3.695 H A 0058 GLU CA
H A 0017 VAL CG1 3.528 H A 0058 GLU CG
H A 0017 VAL CG1 3.764 C A 0061 CYS CB
C A 0018 CYS C 2.532 C A 0019 GLY CA
C A 0018 CYS C 3.013 C A 0019 GLY C
C A 0018 CYS CB 3.752 C A 0061 CYS CB
C A 0019 GLY C 2.494 C A 0020 ASP CA
C A 0019 GLY C 3.143 C A 0020 ASP C
C A 0019 GLY C 3.745 C A 0020 ASP CB
C A 0019 GLY CA 3.640 C A 0023 PHE CD2
C A 0020 ASP C 2.504 C A 0021 ARG CA
C A 0020 ASP C 3.441 C A 0021 ARG C
C A 0020 ASP C 3.594 C A 0021 ARG CB
C A 0021 ARG C 2.496 C A 0022 GLY CA
C A 0021 ARG C 3.744 C A 0022 GLY C
C A 0021 ARG CZ 3.538 C A 0066 PRO CG
C A 0022 GLY C 2.488 C A 0023 PHE CA
C A 0022 GLY C 3.783 C A 0023 PHE C
C A 0022 GLY C 3.088 C A 0023 PHE CB
C A 0023 PHE CA 3.791 C A 0024 TYR CA
C A 0023 PHE C 2.524 C A 0024 TYR CA
C A 0023 PHE C 3.759 C A 0024 TYR C
C A 0023 PHE C 3.290 C A 0024 TYR CB
C A 0023 PHE C 3.423 C A 0024 TYR CG
C A 0023 PHE C 3.491 C A 0024 TYR CD2
C A 0023 PHE CD1 3.767 C A 0024 TYR C
C A 0023 PHE CE1 3.717 C A 0025 PHE CG
C A 0023 PHE CZ 3.780 C A 0025 PHE CE1
C A 0023 PHE CZ 3.676 C A 0025 PHE CZ
C A 0023 PHE CA 3.693 C A 0062 ALA CB
C A 0024 TYR C 2.477 C A 0025 PHE CA
C A 0024 TYR C 3.176 C A 0025 PHE C
C A 0024 TYR C 3.743 C A 0025 PHE CB
C A 0024 TYR C 3.775 C A 0031 TYR CE1
C A 0024 TYR CD1 3.629 C A 0031 TYR CE1
C A 0024 TYR CD1 3.429 C A 0031 TYR CZ
C A 0024 TYR CE1 3.689 C A 0063 PRO CD
C A 0025 PHE CA 3.797 C A 0026 ASN CA
C A 0025 PHE C 2.456 C A 0026 ASN CA
C A 0025 PHE C 3.550 C A 0026 ASN C
C A 0025 PHE C 3.432 C A 0026 ASN CB
C A 0026 ASN C 2.486 C A 0027 LYS CA
C A 0026 ASN C 3.061 C A 0027 LYS C
C A 0026 ASN C 3.740 C A 0027 LYS CB
C A 0026 ASN CG 3.519 C A 0029 THR C
C A 0026 ASN CG 3.664 C A 0031 TYR CD1
C A 0026 ASN CG 3.592 C A 0031 TYR CE1
C A 0026 ASN C 3.680 C A 0043 ILE CB
C A 0026 ASN CB 3.691 C A 0060 TYR CB
C A 0027 LYS CA 3.690 C A 0028 PRO CA
C A 0027 LYS CA 3.394 C A 0028 PRO CD
C A 0027 LYS C 2.418 C A 0028 PRO CA
C A 0027 LYS C 3.456 C A 0028 PRO C
C A 0027 LYS C 3.434 C A 0028 PRO CB
C A 0027 LYS C 3.602 C A 0028 PRO CG
C A 0027 LYS C 2.445 C A 0028 PRO CD
C A 0027 LYS CB 3.401 C A 0028 PRO CD
C A 0028 PRO C 2.459 C A 0029 THR CA
C A 0028 PRO C 3.535 C A 0029 THR C
C A 0028 PRO C 3.553 C A 0029 THR CB
C A 0028 PRO C 3.714 C A 0029 THR CG2
C A 0028 PRO CA 3.711 C A 0042 GLY CA
C A 0029 THR C 2.482 C A 0030 GLY CA
C A 0029 THR C 3.548 C A 0030 GLY C
C A 0029 THR C 3.440 C A 0039 PRO CD
C A 0030 GLY C 2.478 C A 0031 TYR CA
C A 0030 GLY C 3.142 C A 0031 TYR C
C A 0030 GLY C 3.767 C A 0031 TYR CB
C A 0031 TYR C 2.486 C A 0032 GLY CA
C A 0031 TYR C 3.214 C A 0032 GLY C
C A 0031 TYR CD2 3.696 C A 0040 GLN CD
C A 0031 TYR CE2 3.638 C A 0063 PRO CG
C A 0032 GLY C 2.482 C A 0033 SER CA
C A 0032 GLY C 3.750 C A 0033 SER C
C A 0032 GLY C 3.237 C A 0033 SER CB
C A 0033 SER CA 3.777 C A 0034 SER CA
C A 0033 SER C 2.466 C A 0034 SER CA
C A 0033 SER C 3.706 C A 0034 SER C
C A 0033 SER C 3.259 C A 0034 SER CB
C A 0034 SER CA 3.798 C A 0035 SER CA
C A 0034 SER C 2.484 C A 0035 SER CA
C A 0034 SER C 3.217 C A 0035 SER C
C A 0034 SER C 3.716 C A 0035 SER CB
C A 0034 SER CB 3.779 C A 0039 PRO CG
C A 0035 SER CA 3.719 C A 0036 ARG CZ
C A 0035 SER C 2.505 C A 0036 ARG CA
C A 0035 SER C 3.251 C A 0036 ARG C
C A 0035 SER C 3.743 C A 0036 ARG CB
C A 0035 SER CB 3.670 C A 0036 ARG CZ
C A 0036 ARG C 2.492 C A 0037 ARG CA
C A 0036 ARG C 3.465 C A 0037 ARG C
C A 0036 ARG C 3.607 C A 0037 ARG CB
C A 0037 ARG C 2.512 C A 0038 ALA CA
C A 0037 ARG C 3.143 C A 0038 ALA C
C A 0037 ARG C 3.277 C A 0038 ALA CB
C A 0037 ARG C 3.410 C A 0039 PRO CD
C A 0037 ARG CG 3.690 C A 0039 PRO CG
C A 0038 ALA CA 3.031 C A 0039 PRO CD
C A 0038 ALA C 2.498 C A 0039 PRO CA
C A 0038 ALA C 3.094 C A 0039 PRO C
C A 0038 ALA C 3.713 C A 0039 PRO CB
C A 0038 ALA C 3.651 C A 0039 PRO CG
C A 0038 ALA C 2.538 C A 0039 PRO CD
C A 0039 PRO C 2.469 C A 0040 GLN CA
C A 0039 PRO C 3.286 C A 0040 GLN C
C A 0039 PRO C 3.612 C A 0040 GLN CB
C A 0040 GLN C 2.551 C A 0041 THR CA
C A 0040 GLN C 3.298 C A 0041 THR C
C A 0040 GLN C 3.290 C A 0041 THR CB
C A 0040 GLN C 3.793 C A 0060 TYR CD2
C A 0041 THR C 2.482 C A 0042 GLY CA
C A 0041 THR C 3.389 C A 0042 GLY C
C A 0042 GLY C 2.500 C A 0043 ILE CA
C A 0042 GLY C 2.997 C A 0043 ILE C
C A 0042 GLY C 3.762 C A 0043 ILE CB
C A 0043 ILE C 2.472 H A 0044 VAL CA
C A 0043 ILE C 3.072 H A 0044 VAL C
C A 0043 ILE C 3.751 H A 0044 VAL CB
C A 0043 ILE CD1 3.532 H A 0057 LEU CD1
C A 0043 ILE CD1 3.536 C A 0060 TYR CD1
H A 0044 VAL C 2.470 H A 0045 ASP CA
H A 0044 VAL C 3.195 H A 0045 ASP C
H A 0044 VAL C 3.712 H A 0045 ASP CB
H A 0045 ASP C 2.473 H A 0046 GLU CA
H A 0045 ASP C 3.093 H A 0046 GLU C
H A 0045 ASP C 3.742 H A 0046 GLU CB
H A 0046 GLU C 2.452 H A 0047 CYS CA
H A 0046 GLU C 3.218 H A 0047 CYS C
H A 0046 GLU C 3.651 H A 0047 CYS CB
H A 0046 GLU CA 3.683 C A 0050 ARG CZ
H A 0046 GLU CG 3.776 C A 0050 ARG CZ
H A 0046 GLU CD 3.793 C A 0052 CYS CA
H A 0047 CYS C 2.488 H A 0048 CYS CA
H A 0047 CYS C 3.311 H A 0048 CYS C
H A 0047 CYS C 3.663 H A 0048 CYS CB
H A 0047 CYS CA 3.670 C A 0052 CYS CB
H A 0048 CYS CA 3.775 H A 0049 PHE CA
H A 0048 CYS C 2.446 H A 0049 PHE CA
H A 0048 CYS C 3.630 H A 0049 PHE C
H A 0048 CYS C 3.375 H A 0049 PHE CB
H A 0049 PHE C 2.463 C A 0050 ARG CA
H A 0049 PHE C 3.382 C A 0050 ARG C
H A 0049 PHE C 3.641 C A 0050 ARG CB
C A 0050 ARG C 2.527 C A 0051 SER CA
C A 0050 ARG C 3.064 C A 0051 SER C
C A 0050 ARG C 3.333 C A 0051 SER CB
C A 0051 SER C 2.431 C A 0052 CYS CA
C A 0051 SER C 2.971 C A 0052 CYS C
C A 0051 SER C 3.767 C A 0052 CYS CB
C A 0052 CYS C 2.476 C A 0053 ASP CA
C A 0052 CYS C 3.718 C A 0053 ASP C
C A 0052 CYS C 3.266 C A 0053 ASP CB
C A 0052 CYS C 3.649 H A 0057 LEU CD2
C A 0052 CYS CB 3.595 H A 0057 LEU CD2
C A 0053 ASP C 2.494 H A 0054 LEU CA
C A 0053 ASP C 3.124 H A 0054 LEU C
C A 0053 ASP C 3.765 H A 0054 LEU CB
H A 0054 LEU C 2.479 H A 0055 ARG CA
H A 0054 LEU C 3.549 H A 0055 ARG C
H A 0054 LEU C 3.501 H A 0055 ARG CB
H A 0054 LEU C 3.623 H A 0055 ARG CZ
H A 0054 LEU CB 3.565 H A 0055 ARG CZ
H A 0055 ARG C 2.525 H A 0056 ARG CA
H A 0055 ARG C 3.110 H A 0056 ARG CB
H A 0056 ARG C 2.462 H A 0057 LEU CA
H A 0056 ARG C 3.681 H A 0057 LEU C
H A 0056 ARG C 3.245 H A 0057 LEU CB
H A 0057 LEU C 2.490 H A 0058 GLU CA
H A 0057 LEU C 3.068 H A 0058 GLU C
H A 0057 LEU C 3.688 H A 0058 GLU CB
H A 0057 LEU CA 3.618 C A 0060 TYR CE1
H A 0057 LEU CA 3.792 C A 0060 TYR CZ
H A 0057 LEU CD1 3.680 C A 0060 TYR CD1
H A 0057 LEU CD1 3.764 C A 0060 TYR CE1
H A 0058 GLU C 2.509 H A 0059 MET CA
H A 0058 GLU C 3.154 H A 0059 MET C
H A 0058 GLU C 3.727 H A 0059 MET CB
H A 0058 GLU CB 3.714 C A 0070 ALA C
H A 0059 MET C 2.481 C A 0060 TYR CA
H A 0059 MET C 3.694 C A 0060 TYR C
H A 0059 MET C 3.354 C A 0060 TYR CB
H A 0059 MET C 3.794 C A 0060 TYR CG
H A 0059 MET C 3.731 C A 0060 TYR CD2
H A 0059 MET CG 3.723 C A 0060 TYR CD2
H A 0059 MET CG 3.503 C A 0060 TYR CE2
H A 0059 MET CE 3.606 C A 0060 TYR CE2
C A 0060 TYR C 2.472 C A 0061 CYS CA
C A 0060 TYR C 3.428 C A 0061 CYS C
C A 0060 TYR C 3.553 C A 0061 CYS CB
C A 0061 CYS CA 3.761 C A 0062 ALA CA
C A 0061 CYS C 2.474 C A 0062 ALA CA
C A 0061 CYS C 3.625 C A 0062 ALA C
C A 0061 CYS C 3.401 C A 0062 ALA CB
C A 0062 ALA CA 2.995 C A 0063 PRO CD
C A 0062 ALA C 2.459 C A 0063 PRO CA
C A 0062 ALA C 3.091 C A 0063 PRO C
C A 0062 ALA C 3.664 C A 0063 PRO CB
C A 0062 ALA C 3.669 C A 0063 PRO CG
C A 0062 ALA C 2.507 C A 0063 PRO CD
C A 0062 ALA CB 3.778 C A 0064 LEU CD1
C A 0063 PRO C 2.499 C A 0064 LEU CA
C A 0063 PRO C 3.524 C A 0064 LEU C
C A 0063 PRO C 3.506 C A 0064 LEU CB
C A 0063 PRO C 3.791 C A 0064 LEU CG
C A 0064 LEU C 2.481 C A 0065 LYS CA
C A 0064 LEU C 3.080 C A 0065 LYS C
C A 0064 LEU C 3.751 C A 0065 LYS CB
C A 0064 LEU C 3.792 C A 0066 PRO C
C A 0064 LEU C 3.705 C A 0066 PRO CD
C A 0065 LYS CA 3.011 C A 0066 PRO CD
C A 0065 LYS C 2.474 C A 0066 PRO CA
C A 0065 LYS C 3.282 C A 0066 PRO C
C A 0065 LYS C 3.614 C A 0066 PRO CB
C A 0065 LYS C 3.668 C A 0066 PRO CG
C A 0065 LYS C 2.463 C A 0066 PRO CD
C A 0065 LYS CB 3.456 C A 0066 PRO CD
C A 0066 PRO CA 3.787 C A 0067 ALA CA
C A 0066 PRO C 2.476 C A 0067 ALA CA
C A 0066 PRO C 3.592 C A 0067 ALA C
C A 0066 PRO C 3.419 C A 0067 ALA CB
C A 0067 ALA C 2.471 C A 0068 LYS CA
C A 0067 ALA C 3.683 C A 0068 LYS C
C A 0067 ALA C 3.254 C A 0068 LYS CB
C A 0068 LYS C 2.481 C A 0069 SER CA
C A 0068 LYS C 3.303 C A 0069 SER C
C A 0068 LYS C 3.681 C A 0069 SER CB
C A 0068 LYS CE 3.744 C A 0070 ALA C
C A 0068 LYS CE 3.751 C A 0070 ALA CB
C A 0069 SER C 2.520 C A 0070 ALA CA
C A 0069 SER C 3.711 C A 0070 ALA C
C A 0069 SER C 3.142 C A 0070 ALA CB
CHARGE_ATTR 2.00 12.00 49
C A 0003 GLU OE2 11.26 C A 0050 ARG NH1
C A 0003 GLU OE1 7.057 H A 0056 ARG NH1
C A 0003 GLU OE1 6.279 H A 0056 ARG NH2
C A 0003 GLU OE2 5.435 H A 0056 ARG NH1
C A 0003 GLU OE2 4.410 H A 0056 ARG NH2
C A 0020 ASP OD1 10.72 C A 0021 ARG NH1
C A 0020 ASP OD1 9.791 C A 0021 ARG NH2
C A 0020 ASP OD2 11.88 C A 0021 ARG NH1
C A 0020 ASP OD2 11.22 C A 0021 ARG NH2
H A 0045 ASP OD1 4.886 C A 0050 ARG NH1
H A 0045 ASP OD1 3.028 C A 0050 ARG NH2
H A 0045 ASP OD2 7.039 C A 0050 ARG NH1
H A 0045 ASP OD2 4.984 C A 0050 ARG NH2
H A 0045 ASP OD1 11.83 H A 0056 ARG NH1
H A 0046 GLU OE1 5.757 C A 0050 ARG NH1
H A 0046 GLU OE1 6.647 C A 0050 ARG NH2
H A 0046 GLU OE2 4.875 C A 0050 ARG NH1
H A 0046 GLU OE2 6.007 C A 0050 ARG NH2
H A 0046 GLU OE1 11.80 H A 0055 ARG NH2
H A 0046 GLU OE1 7.946 H A 0056 ARG NH1
H A 0046 GLU OE1 8.373 H A 0056 ARG NH2
H A 0046 GLU OE2 6.271 H A 0056 ARG NH1
H A 0046 GLU OE2 6.945 H A 0056 ARG NH2
H A 0046 GLU OE1 9.834 C A 0068 LYS NZ
H A 0046 GLU OE2 10.97 C A 0068 LYS NZ
C A 0053 ASP OD1 11.38 C A 0050 ARG NH1
C A 0053 ASP OD2 10.43 C A 0050 ARG NH1
C A 0053 ASP OD2 11.69 C A 0050 ARG NH2
C A 0053 ASP OD1 7.431 H A 0055 ARG NH1
C A 0053 ASP OD1 7.418 H A 0055 ARG NH2
C A 0053 ASP OD2 9.571 H A 0055 ARG NH1
C A 0053 ASP OD2 9.581 H A 0055 ARG NH2
C A 0053 ASP OD1 5.914 H A 0056 ARG NH1
C A 0053 ASP OD1 4.546 H A 0056 ARG NH2
C A 0053 ASP OD2 5.065 H A 0056 ARG NH1
C A 0053 ASP OD2 3.581 H A 0056 ARG NH2
C A 0053 ASP OD1 7.592 C A 0068 LYS NZ
C A 0053 ASP OD2 9.599 C A 0068 LYS NZ
H A 0058 GLU OE1 4.823 C A 0021 ARG NH1
H A 0058 GLU OE1 3.813 C A 0021 ARG NH2
H A 0058 GLU OE2 4.442 C A 0021 ARG NH1
H A 0058 GLU OE2 3.139 C A 0021 ARG NH2
H A 0058 GLU OE1 9.523 H A 0055 ARG NH1
H A 0058 GLU OE1 7.260 H A 0055 ARG NH2
H A 0058 GLU OE2 10.01 H A 0055 ARG NH1
H A 0058 GLU OE2 7.766 H A 0055 ARG NH2
H A 0058 GLU OE1 11.12 C A 0065 LYS NZ
H A 0058 GLU OE1 5.399 C A 0068 LYS NZ
H A 0058 GLU OE2 6.282 C A 0068 LYS NZ
CHARGE_REPU 2.00 12.00 50
C A 0003 GLU OE2 11.97 H A 0009 GLU OE1
C A 0003 GLU OE1 11.59 H A 0046 GLU OE1
C A 0003 GLU OE1 9.746 H A 0046 GLU OE2
C A 0003 GLU OE2 9.681 H A 0046 GLU OE1
C A 0003 GLU OE2 7.945 H A 0046 GLU OE2
C A 0003 GLU OE1 9.608 C A 0053 ASP OD1
C A 0003 GLU OE1 7.637 C A 0053 ASP OD2
C A 0003 GLU OE2 7.454 C A 0053 ASP OD1
C A 0003 GLU OE2 5.452 C A 0053 ASP OD2
H A 0009 GLU OE1 8.910 H A 0012 ASP OD1
H A 0009 GLU OE1 6.929 H A 0012 ASP OD2
H A 0009 GLU OE2 7.284 H A 0012 ASP OD1
H A 0009 GLU OE2 5.443 H A 0012 ASP OD2
H A 0012 ASP OD1 8.382 C A 0020 ASP OD1
H A 0012 ASP OD1 9.487 C A 0020 ASP OD2
H A 0012 ASP OD2 10.28 C A 0020 ASP OD1
H A 0012 ASP OD2 11.53 C A 0020 ASP OD2
C A 0020 ASP OD1 11.34 H A 0058 GLU OE2
C A 0021 ARG NH1 10.46 H A 0055 ARG NH2
C A 0021 ARG NH2 10.47 H A 0055 ARG NH1
C A 0021 ARG NH2 8.385 H A 0055 ARG NH2
C A 0021 ARG NH1 9.909 C A 0065 LYS NZ
C A 0021 ARG NH2 11.38 C A 0065 LYS NZ
C A 0021 ARG NH1 9.859 C A 0068 LYS NZ
C A 0021 ARG NH2 8.121 C A 0068 LYS NZ
C A 0036 ARG NH1 7.023 C A 0037 ARG NH1
C A 0036 ARG NH1 7.963 C A 0037 ARG NH2
C A 0036 ARG NH2 6.965 C A 0037 ARG NH1
C A 0036 ARG NH2 7.319 C A 0037 ARG NH2
H A 0045 ASP OD1 8.459 H A 0046 GLU OE1
H A 0045 ASP OD1 7.508 H A 0046 GLU OE2
H A 0045 ASP OD2 10.28 H A 0046 GLU OE1
H A 0045 ASP OD2 9.487 H A 0046 GLU OE2
H A 0046 GLU OE1 7.025 C A 0053 ASP OD1
H A 0046 GLU OE1 6.479 C A 0053 ASP OD2
H A 0046 GLU OE2 6.848 C A 0053 ASP OD1
H A 0046 GLU OE2 5.795 C A 0053 ASP OD2
H A 0046 GLU OE1 11.69 H A 0058 GLU OE1
H A 0046 GLU OE1 10.65 H A 0058 GLU OE2
C A 0050 ARG NH1 8.946 H A 0056 ARG NH1
C A 0050 ARG NH1 10.51 H A 0056 ARG NH2
C A 0050 ARG NH2 10.72 H A 0056 ARG NH1
C A 0053 ASP OD1 11.66 H A 0058 GLU OE1
C A 0053 ASP OD1 11.15 H A 0058 GLU OE2
H A 0055 ARG NH1 10.99 H A 0056 ARG NH2
H A 0055 ARG NH2 11.41 H A 0056 ARG NH2
H A 0055 ARG NH1 5.663 C A 0068 LYS NZ
H A 0055 ARG NH2 3.842 C A 0068 LYS NZ
H A 0056 ARG NH1 11.53 C A 0068 LYS NZ
H A 0056 ARG NH2 11.20 C A 0068 LYS NZ
HB_MM 2.00 3.20 131
C A 0001 GLY N 2.714 C A 0050 ARG O
C A 0002 PRO N 2.257 C A 0001 GLY O
C A 0003 GLU N 2.837 C A 0001 GLY O
C A 0003 GLU N 2.260 C A 0002 PRO O
C A 0003 GLU N 2.936 H A 0049 PHE O
C A 0004 THR N 2.275 C A 0003 GLU O
C A 0005 LEU N 3.122 C A 0003 GLU O
C A 0005 LEU N 2.251 C A 0004 THR O
C A 0005 LEU N 3.065 H A 0047 CYS O
C A 0006 CYS N 2.250 C A 0005 LEU O
C A 0007 GLY N 2.255 C A 0006 CYS O
H A 0008 ALA N 2.258 C A 0007 GLY O
H A 0009 GLU N 2.947 C A 0006 CYS O
H A 0009 GLU N 3.181 C A 0007 GLY O
H A 0009 GLU N 2.250 H A 0008 ALA O
H A 0010 LEU N 3.042 C A 0007 GLY O
H A 0010 LEU N 2.257 H A 0009 GLU O
H A 0011 VAL N 3.094 C A 0007 GLY O
H A 0011 VAL N 3.188 H A 0008 ALA O
H A 0011 VAL N 2.272 H A 0010 LEU O
H A 0012 ASP N 2.815 H A 0008 ALA O
H A 0012 ASP N 2.246 H A 0011 VAL O
H A 0013 ALA N 2.888 H A 0009 GLU O
H A 0013 ALA N 2.266 H A 0012 ASP O
H A 0014 LEU N 2.937 H A 0010 LEU O
H A 0014 LEU N 2.266 H A 0013 ALA O
H A 0015 GLN N 2.725 H A 0011 VAL O
H A 0015 GLN N 2.249 H A 0014 LEU O
H A 0016 PHE N 3.002 H A 0012 ASP O
H A 0016 PHE N 3.135 H A 0013 ALA O
H A 0016 PHE N 2.276 H A 0015 GLN O
H A 0017 VAL N 2.923 H A 0013 ALA O
H A 0017 VAL N 2.252 H A 0016 PHE O
C A 0018 CYS N 2.901 H A 0014 LEU O
C A 0018 CYS N 2.256 H A 0017 VAL O
C A 0019 GLY N 2.892 H A 0014 LEU O
C A 0019 GLY N 3.125 H A 0015 GLN O
C A 0019 GLY N 2.264 C A 0018 CYS O
C A 0019 GLY N 3.013 C A 0022 GLY O
C A 0020 ASP N 2.833 C A 0018 CYS O
C A 0020 ASP N 2.265 C A 0019 GLY O
C A 0021 ARG N 2.747 C A 0018 CYS O
C A 0021 ARG N 3.054 C A 0019 GLY O
C A 0021 ARG N 2.256 C A 0020 ASP O
C A 0022 GLY N 2.980 C A 0019 GLY O
C A 0022 GLY N 2.261 C A 0021 ARG O
C A 0023 PHE N 2.256 C A 0022 GLY O
C A 0024 TYR N 2.271 C A 0023 PHE O
C A 0024 TYR N 2.762 C A 0061 CYS O
C A 0025 PHE N 2.255 C A 0024 TYR O
C A 0026 ASN N 2.264 C A 0025 PHE O
C A 0027 LYS N 2.246 C A 0026 ASN O
C A 0028 PRO N 2.245 C A 0027 LYS O
C A 0029 THR N 2.243 C A 0028 PRO O
C A 0030 GLY N 2.261 C A 0029 THR O
C A 0030 GLY N 2.891 C A 0034 SER O
C A 0031 TYR N 2.262 C A 0030 GLY O
C A 0032 GLY N 2.269 C A 0031 TYR O
C A 0033 SER N 2.874 C A 0031 TYR O
C A 0033 SER N 2.268 C A 0032 GLY O
C A 0034 SER N 2.974 C A 0030 GLY O
C A 0034 SER N 2.239 C A 0033 SER O
C A 0035 SER N 2.269 C A 0034 SER O
C A 0036 ARG N 2.257 C A 0035 SER O
C A 0037 ARG N 2.775 C A 0035 SER O
C A 0037 ARG N 2.234 C A 0036 ARG O
C A 0038 ALA N 2.975 C A 0028 PRO O
C A 0038 ALA N 2.255 C A 0037 ARG O
C A 0039 PRO N 2.231 C A 0038 ALA O
C A 0040 GLN N 2.254 C A 0039 PRO O
C A 0041 THR N 3.181 C A 0038 ALA O
C A 0041 THR N 3.045 C A 0039 PRO O
C A 0041 THR N 2.289 C A 0040 GLN O
C A 0042 GLY N 2.723 C A 0040 GLN O
C A 0042 GLY N 2.260 C A 0041 THR O
C A 0043 ILE N 2.958 C A 0026 ASN O
C A 0043 ILE N 3.058 C A 0027 LYS O
C A 0043 ILE N 2.274 C A 0042 GLY O
H A 0044 VAL N 2.944 C A 0027 LYS O
H A 0044 VAL N 3.032 C A 0042 GLY O
H A 0044 VAL N 2.245 C A 0043 ILE O
H A 0045 ASP N 2.959 C A 0042 GLY O
H A 0045 ASP N 2.232 H A 0044 VAL O
H A 0046 GLU N 2.921 C A 0042 GLY O
H A 0046 GLU N 3.189 C A 0043 ILE O
H A 0046 GLU N 2.270 H A 0045 ASP O
H A 0047 CYS N 2.715 C A 0043 ILE O
H A 0047 CYS N 2.233 H A 0046 GLU O
H A 0048 CYS N 3.145 C A 0005 LEU O
H A 0048 CYS N 2.806 H A 0044 VAL O
H A 0048 CYS N 2.262 H A 0047 CYS O
H A 0049 PHE N 2.941 H A 0045 ASP O
H A 0049 PHE N 3.090 H A 0047 CYS O
H A 0049 PHE N 2.246 H A 0048 CYS O
C A 0050 ARG N 2.242 H A 0049 PHE O
C A 0051 SER N 3.179 C A 0001 GLY O
C A 0051 SER N 3.151 H A 0046 GLU O
C A 0051 SER N 3.186 H A 0047 CYS O
C A 0051 SER N 2.244 C A 0050 ARG O
C A 0052 CYS N 2.775 H A 0046 GLU O
C A 0052 CYS N 2.226 C A 0051 SER O
C A 0053 ASP N 3.160 C A 0051 SER O
C A 0053 ASP N 2.254 C A 0052 CYS O
H A 0054 LEU N 2.265 C A 0053 ASP O
H A 0055 ARG N 3.022 C A 0053 ASP O
H A 0055 ARG N 2.254 H A 0054 LEU O
H A 0056 ARG N 2.265 H A 0055 ARG O
H A 0057 LEU N 3.152 C A 0053 ASP O
H A 0057 LEU N 2.240 H A 0056 ARG O
H A 0058 GLU N 2.259 H A 0057 LEU O
H A 0058 GLU N 3.067 C A 0070 ALA O
H A 0059 MET N 2.864 H A 0057 LEU O
H A 0059 MET N 2.262 H A 0058 GLU O
H A 0059 MET N 3.095 C A 0070 ALA O
C A 0060 TYR N 2.692 H A 0057 LEU O
C A 0060 TYR N 3.026 H A 0058 GLU O
C A 0060 TYR N 2.251 H A 0059 MET O
C A 0061 CYS N 3.014 H A 0058 GLU O
C A 0061 CYS N 2.252 C A 0060 TYR O
C A 0062 ALA N 2.235 C A 0061 CYS O
C A 0063 PRO N 2.257 C A 0062 ALA O
C A 0064 LEU N 3.157 C A 0062 ALA O
C A 0064 LEU N 2.261 C A 0063 PRO O
C A 0064 LEU N 2.815 C A 0066 PRO O
C A 0065 LYS N 2.242 C A 0064 LEU O
C A 0066 PRO N 2.249 C A 0065 LYS O
C A 0067 ALA N 2.260 C A 0066 PRO O
C A 0068 LYS N 2.262 C A 0067 ALA O
C A 0069 SER N 2.262 C A 0068 LYS O
C A 0070 ALA N 3.126 C A 0068 LYS O
C A 0070 ALA N 2.253 C A 0069 SER O
HB_MS 2.00 3.20 18
C A 0001 GLY N 2.988 C A 0003 GLU OE2
C A 0001 GLY N 2.705 C A 0051 SER OG
C A 0024 TYR O 2.580 C A 0031 TYR OH
C A 0027 LYS N 2.995 C A 0029 THR OG1
C A 0031 TYR N 2.865 C A 0040 GLN OE1
C A 0032 GLY O 2.704 C A 0033 SER OG
C A 0033 SER O 2.710 C A 0034 SER OG
C A 0040 GLN O 2.889 C A 0041 THR OG1
C A 0041 THR O 3.036 C A 0050 ARG NH2
C A 0042 GLY N 3.012 C A 0041 THR OG1
C A 0050 ARG O 2.917 C A 0051 SER OG
H A 0054 LEU O 2.809 C A 0068 LYS NZ
H A 0055 ARG N 3.056 C A 0053 ASP OD1
H A 0056 ARG O 2.654 C A 0060 TYR OH
H A 0059 MET O 3.097 C A 0040 GLN NE2
C A 0062 ALA O 2.946 C A 0021 ARG NH1
C A 0063 PRO O 2.669 C A 0024 TYR OH
C A 0070 ALA O 2.874 C A 0068 LYS NZ
HB_SS 2.00 3.20 6
C A 0003 GLU OE2 2.999 C A 0051 SER OG
C A 0026 ASN ND2 2.930 C A 0040 GLN OE1
C A 0029 THR OG1 2.794 C A 0026 ASN OD1
C A 0037 ARG NH1 2.910 C A 0035 SER OG
H A 0046 GLU OE1 3.013 C A 0060 TYR OH
C A 0053 ASP OD2 2.964 C A 0051 SER OG
AROMATIC 0.00 8.00 3
C A 0024 TYR 5.233 C A 0031 TYR
C A 0021 ARG 7.197 C A 0024 TYR
C A 0027 LYS 5.097 C A 0025 PHE
SS_BOND 1.50 2.80 3
C A 0006 CYS SG 2.040 H A 0048 CYS SG
C A 0018 CYS SG 2.034 C A 0061 CYS SG
H A 0047 CYS SG 2.040 C A 0052 CYS SG