Complet list of 1san con file
Complete list of 1san.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 269
C A 0006 MET C 2.451 C A 0007 THR CA
C A 0006 MET C 3.655 C A 0007 THR C
C A 0006 MET C 3.191 C A 0007 THR CB
C A 0007 THR C 2.442 C A 0008 TYR CA
C A 0007 THR C 3.071 C A 0008 TYR C
C A 0007 THR C 3.704 C A 0008 TYR CB
C A 0008 TYR C 2.411 C A 0009 THR CA
C A 0008 TYR C 3.047 C A 0009 THR C
C A 0008 TYR C 3.710 C A 0009 THR CB
C A 0008 TYR CD1 3.695 C A 0040 LEU CD1
C A 0008 TYR CE1 3.504 H A 0044 GLN CG
C A 0008 TYR CZ 3.623 H A 0044 GLN CG
C A 0009 THR C 2.447 H A 0010 ARG CA
C A 0009 THR C 2.930 H A 0010 ARG C
C A 0009 THR C 3.726 H A 0010 ARG CB
H A 0010 ARG C 2.448 H A 0011 TYR CA
H A 0010 ARG C 2.954 H A 0011 TYR C
H A 0010 ARG C 3.754 H A 0011 TYR CB
H A 0011 TYR C 2.438 H A 0012 GLN CA
H A 0011 TYR C 2.919 H A 0012 GLN C
H A 0011 TYR C 3.689 H A 0012 GLN CB
H A 0011 TYR CE1 3.794 H A 0015 GLU CB
H A 0011 TYR CZ 3.565 H A 0015 GLU CB
H A 0012 GLN C 2.451 H A 0013 THR CA
H A 0012 GLN C 2.999 H A 0013 THR C
H A 0012 GLN C 3.710 H A 0013 THR CB
H A 0012 GLN C 3.794 H A 0016 LEU CD1
H A 0013 THR C 2.476 H A 0014 LEU CA
H A 0013 THR C 3.002 H A 0014 LEU C
H A 0013 THR C 3.750 H A 0014 LEU CB
H A 0014 LEU C 2.462 H A 0015 GLU CA
H A 0014 LEU C 2.991 H A 0015 GLU C
H A 0014 LEU C 3.711 H A 0015 GLU CB
H A 0015 GLU CA 3.792 H A 0016 LEU CA
H A 0015 GLU C 2.426 H A 0016 LEU CA
H A 0015 GLU C 2.999 H A 0016 LEU C
H A 0015 GLU C 3.675 H A 0016 LEU CB
H A 0015 GLU CB 3.510 H A 0038 LEU CD2
H A 0015 GLU CG 3.273 H A 0038 LEU CD2
H A 0016 LEU C 2.416 H A 0017 GLU CA
H A 0016 LEU C 2.992 H A 0017 GLU C
H A 0016 LEU C 3.652 H A 0017 GLU CB
H A 0016 LEU CD2 3.706 H A 0034 ILE CD1
H A 0016 LEU CG 3.493 H A 0038 LEU CD1
H A 0016 LEU CD1 3.544 H A 0038 LEU CD1
H A 0016 LEU C 3.606 H A 0048 TRP CH2
H A 0016 LEU CB 3.791 H A 0048 TRP CD2
H A 0016 LEU CB 3.704 H A 0048 TRP CE2
H A 0016 LEU CB 3.741 H A 0048 TRP CE3
H A 0016 LEU CB 3.666 H A 0048 TRP CZ2
H A 0016 LEU CB 3.631 H A 0048 TRP CZ3
H A 0016 LEU CB 3.581 H A 0048 TRP CH2
H A 0016 LEU CD1 3.746 H A 0048 TRP CG
H A 0016 LEU CD1 3.725 H A 0048 TRP CD1
H A 0016 LEU CD1 3.796 H A 0048 TRP CD2
H A 0016 LEU CD2 3.593 H A 0048 TRP CE3
H A 0017 GLU C 2.479 H A 0018 LYS CA
H A 0017 GLU C 3.012 H A 0018 LYS C
H A 0017 GLU C 3.707 H A 0018 LYS CB
H A 0017 GLU CD 3.452 H A 0021 HIS CE1
H A 0018 LYS C 2.434 H A 0019 GLU CA
H A 0018 LYS C 3.015 H A 0019 GLU C
H A 0018 LYS C 3.707 H A 0019 GLU CB
H A 0019 GLU C 2.475 H A 0020 PHE CA
H A 0019 GLU C 3.096 H A 0020 PHE C
H A 0019 GLU C 3.731 H A 0020 PHE CB
H A 0019 GLU CD 3.676 C A 0022 PHE CD2
H A 0019 GLU CB 3.566 H A 0034 ILE CD1
H A 0019 GLU CG 3.676 H A 0034 ILE CD1
H A 0019 GLU C 3.693 H A 0049 PHE CZ
H A 0019 GLU CG 3.675 H A 0049 PHE CZ
H A 0020 PHE C 2.462 H A 0021 HIS CA
H A 0020 PHE C 3.002 H A 0021 HIS C
H A 0020 PHE C 3.722 H A 0021 HIS CB
H A 0020 PHE CA 3.626 H A 0049 PHE CZ
H A 0020 PHE CD1 3.678 H A 0049 PHE CE2
H A 0020 PHE CG 3.504 H A 0052 ARG CG
H A 0020 PHE CD1 3.329 H A 0052 ARG CG
H A 0020 PHE CD2 3.799 H A 0052 ARG CG
H A 0020 PHE CE1 3.693 H A 0052 ARG CB
H A 0020 PHE CE1 3.424 H A 0052 ARG CG
H A 0020 PHE CZ 3.719 H A 0052 ARG CG
H A 0021 HIS C 2.474 C A 0022 PHE CA
H A 0021 HIS C 3.049 C A 0022 PHE C
H A 0021 HIS C 3.704 C A 0022 PHE CB
C A 0022 PHE C 2.487 C A 0023 ASN CA
C A 0022 PHE C 3.640 C A 0023 ASN C
C A 0022 PHE C 3.363 C A 0023 ASN CB
C A 0022 PHE CD2 3.777 C A 0023 ASN CB
C A 0023 ASN C 2.445 C A 0024 ARG CA
C A 0023 ASN C 3.359 C A 0024 ARG C
C A 0023 ASN C 3.612 C A 0024 ARG CB
C A 0023 ASN CG 3.799 C A 0024 ARG C
C A 0024 ARG C 2.454 C A 0025 TYR CA
C A 0024 ARG C 3.549 C A 0025 TYR C
C A 0024 ARG C 3.401 C A 0025 TYR CB
C A 0024 ARG C 3.402 C A 0025 TYR CG
C A 0024 ARG C 3.563 C A 0025 TYR CD1
C A 0024 ARG CB 3.750 C A 0025 TYR CD2
C A 0024 ARG CB 3.658 C A 0025 TYR CE2
C A 0024 ARG CB 3.772 C A 0025 TYR CZ
C A 0025 TYR C 2.446 C A 0026 LEU CA
C A 0025 TYR C 3.275 C A 0026 LEU C
C A 0025 TYR C 3.659 C A 0026 LEU CB
C A 0025 TYR CD1 3.730 H A 0053 ARG CZ
C A 0025 TYR CE1 3.746 H A 0053 ARG CZ
C A 0026 LEU CA 3.800 C A 0027 THR CA
C A 0026 LEU C 2.456 C A 0027 THR CA
C A 0026 LEU C 3.135 C A 0027 THR C
C A 0026 LEU C 3.718 C A 0027 THR CB
C A 0026 LEU CD2 3.726 H A 0030 ARG CG
C A 0026 LEU CB 3.783 H A 0031 ARG CD
C A 0026 LEU CD1 3.669 H A 0045 ILE CG2
C A 0026 LEU CD1 3.730 H A 0049 PHE CG
C A 0026 LEU CD1 3.336 H A 0049 PHE CD1
C A 0026 LEU CD1 3.415 H A 0049 PHE CE1
C A 0027 THR C 2.482 H A 0028 ARG CA
C A 0027 THR C 2.987 H A 0028 ARG C
C A 0027 THR C 3.747 H A 0028 ARG CB
H A 0028 ARG C 2.443 H A 0029 ARG CA
H A 0028 ARG C 3.062 H A 0029 ARG C
H A 0028 ARG C 3.713 H A 0029 ARG CB
H A 0029 ARG C 2.419 H A 0030 ARG CA
H A 0029 ARG C 2.988 H A 0030 ARG C
H A 0029 ARG C 3.689 H A 0030 ARG CB
H A 0029 ARG CD 3.735 H A 0033 GLU CD
H A 0030 ARG C 2.439 H A 0031 ARG CA
H A 0030 ARG C 2.961 H A 0031 ARG C
H A 0030 ARG C 3.711 H A 0031 ARG CB
H A 0031 ARG C 2.430 H A 0032 ILE CA
H A 0031 ARG C 2.974 H A 0032 ILE C
H A 0031 ARG C 3.729 H A 0032 ILE CB
H A 0031 ARG CA 3.652 H A 0034 ILE CG2
H A 0031 ARG CZ 3.648 H A 0042 GLU CD
H A 0032 ILE C 2.448 H A 0033 GLU CA
H A 0032 ILE C 2.974 H A 0033 GLU C
H A 0032 ILE C 3.672 H A 0033 GLU CB
H A 0032 ILE CG2 3.752 H A 0036 HIS CE1
H A 0033 GLU C 2.420 H A 0034 ILE CA
H A 0033 GLU C 2.936 H A 0034 ILE C
H A 0033 GLU C 3.755 H A 0034 ILE CB
H A 0034 ILE C 2.426 H A 0035 ALA CA
H A 0034 ILE C 2.986 H A 0035 ALA C
H A 0034 ILE C 3.720 H A 0035 ALA CB
H A 0035 ALA C 2.465 H A 0036 HIS CA
H A 0035 ALA C 3.104 H A 0036 HIS C
H A 0035 ALA C 3.738 H A 0036 HIS CB
H A 0036 HIS C 2.453 H A 0037 ALA CA
H A 0036 HIS C 2.978 H A 0037 ALA C
H A 0036 HIS C 3.727 H A 0037 ALA CB
H A 0037 ALA C 2.432 H A 0038 LEU CA
H A 0037 ALA C 3.120 H A 0038 LEU C
H A 0037 ALA C 3.685 H A 0038 LEU CB
H A 0038 LEU CA 3.773 C A 0039 SER CA
H A 0038 LEU C 2.501 C A 0039 SER CA
H A 0038 LEU C 3.210 C A 0039 SER C
H A 0038 LEU C 3.219 C A 0039 SER CB
H A 0038 LEU CG 3.742 H A 0045 ILE CD1
H A 0038 LEU CD1 3.250 H A 0045 ILE CD1
C A 0039 SER C 2.488 C A 0040 LEU CA
C A 0039 SER C 3.594 C A 0040 LEU C
C A 0039 SER C 3.407 C A 0040 LEU CB
C A 0039 SER C 3.761 C A 0040 LEU CG
C A 0040 LEU C 2.464 C A 0041 THR CA
C A 0040 LEU C 3.357 C A 0041 THR C
C A 0040 LEU C 3.625 C A 0041 THR CB
C A 0041 THR C 2.506 H A 0042 GLU CA
C A 0041 THR C 3.210 H A 0042 GLU C
C A 0041 THR C 3.029 H A 0042 GLU CB
H A 0042 GLU C 2.496 H A 0043 ARG CA
H A 0042 GLU C 2.923 H A 0043 ARG C
H A 0042 GLU C 3.701 H A 0043 ARG CB
H A 0043 ARG C 2.464 H A 0044 GLN CA
H A 0043 ARG C 3.038 H A 0044 GLN C
H A 0043 ARG C 3.715 H A 0044 GLN CB
H A 0044 GLN C 2.462 H A 0045 ILE CA
H A 0044 GLN C 3.035 H A 0045 ILE C
H A 0044 GLN C 3.737 H A 0045 ILE CB
H A 0045 ILE C 2.448 H A 0046 LYS CA
H A 0045 ILE C 2.982 H A 0046 LYS C
H A 0045 ILE C 3.708 H A 0046 LYS CB
H A 0046 LYS C 2.466 H A 0047 ILE CA
H A 0046 LYS C 2.977 H A 0047 ILE C
H A 0046 LYS C 3.742 H A 0047 ILE CB
H A 0047 ILE C 2.443 H A 0048 TRP CA
H A 0047 ILE C 2.928 H A 0048 TRP C
H A 0047 ILE C 3.743 H A 0048 TRP CB
H A 0048 TRP C 2.457 H A 0049 PHE CA
H A 0048 TRP C 3.032 H A 0049 PHE C
H A 0048 TRP C 3.743 H A 0049 PHE CB
H A 0048 TRP CE3 3.673 H A 0049 PHE CA
H A 0048 TRP CE3 3.739 H A 0049 PHE CD1
H A 0048 TRP CZ2 3.477 H A 0052 ARG CD
H A 0048 TRP CZ3 3.478 H A 0052 ARG CB
H A 0048 TRP CZ3 3.447 H A 0052 ARG CG
H A 0048 TRP CH2 3.727 H A 0052 ARG CB
H A 0048 TRP CH2 3.297 H A 0052 ARG CG
H A 0048 TRP CH2 3.195 H A 0052 ARG CD
H A 0049 PHE C 2.413 H A 0050 GLN CA
H A 0049 PHE C 3.016 H A 0050 GLN C
H A 0049 PHE C 3.699 H A 0050 GLN CB
H A 0050 GLN C 2.448 H A 0051 ASN CA
H A 0050 GLN C 3.011 H A 0051 ASN C
H A 0050 GLN C 3.753 H A 0051 ASN CB
H A 0051 ASN C 2.464 H A 0052 ARG CA
H A 0051 ASN C 2.973 H A 0052 ARG C
H A 0051 ASN C 3.738 H A 0052 ARG CB
H A 0052 ARG C 2.435 H A 0053 ARG CA
H A 0052 ARG C 3.010 H A 0053 ARG C
H A 0052 ARG C 3.730 H A 0053 ARG CB
H A 0053 ARG CA 3.795 H A 0054 MET CA
H A 0053 ARG C 2.434 H A 0054 MET CA
H A 0053 ARG C 3.082 H A 0054 MET C
H A 0053 ARG C 3.678 H A 0054 MET CB
H A 0054 MET C 2.460 H A 0055 LYS CA
H A 0054 MET C 3.488 H A 0055 LYS C
H A 0054 MET C 3.519 H A 0055 LYS CB
H A 0055 LYS C 2.472 H A 0056 TRP CA
H A 0055 LYS C 3.205 H A 0056 TRP C
H A 0055 LYS C 3.654 H A 0056 TRP CB
H A 0055 LYS C 3.664 H A 0059 GLU CG
H A 0055 LYS CG 3.793 H A 0059 GLU CG
H A 0055 LYS CG 3.380 H A 0059 GLU CD
H A 0055 LYS CE 3.431 H A 0059 GLU CD
H A 0056 TRP CA 3.765 H A 0057 LYS CA
H A 0056 TRP C 2.444 H A 0057 LYS CA
H A 0056 TRP C 3.194 H A 0057 LYS C
H A 0056 TRP C 3.668 H A 0057 LYS CB
H A 0056 TRP CE3 3.676 H A 0057 LYS CB
H A 0056 TRP CD1 3.569 C A 0060 ASN CG
H A 0057 LYS C 2.457 H A 0058 LYS CA
H A 0057 LYS C 3.370 H A 0058 LYS C
H A 0057 LYS C 3.622 H A 0058 LYS CB
H A 0057 LYS C 3.574 H A 0058 LYS CD
H A 0057 LYS CD 3.736 C A 0067 GLY C
H A 0057 LYS CE 3.642 C A 0067 GLY C
H A 0058 LYS C 2.465 H A 0059 GLU CA
H A 0058 LYS C 3.371 H A 0059 GLU C
H A 0058 LYS C 3.606 H A 0059 GLU CB
H A 0058 LYS C 3.698 H A 0059 GLU CG
H A 0058 LYS C 3.566 H A 0059 GLU CD
H A 0059 GLU C 2.478 C A 0060 ASN CA
H A 0059 GLU C 3.116 C A 0060 ASN C
H A 0059 GLU C 3.701 C A 0060 ASN CB
C A 0060 ASN C 2.481 C A 0061 LYS CA
C A 0060 ASN C 3.291 C A 0061 LYS C
C A 0060 ASN C 3.644 C A 0061 LYS CB
C A 0061 LYS C 2.518 C A 0062 THR CA
C A 0061 LYS C 3.159 C A 0062 THR C
C A 0061 LYS C 3.093 C A 0062 THR CB
C A 0062 THR CA 3.795 C A 0063 LYS CA
C A 0062 THR C 2.448 C A 0063 LYS CA
C A 0062 THR C 3.027 C A 0063 LYS C
C A 0062 THR C 3.662 C A 0063 LYS CB
C A 0063 LYS C 2.440 C A 0064 GLY CA
C A 0063 LYS C 3.233 C A 0064 GLY C
C A 0064 GLY CA 3.798 C A 0065 GLU CA
C A 0064 GLY C 2.459 C A 0065 GLU CA
C A 0064 GLY C 3.297 C A 0065 GLU C
C A 0064 GLY C 3.686 C A 0065 GLU CB
C A 0065 GLU CA 2.992 C A 0066 PRO CD
C A 0065 GLU C 2.455 C A 0066 PRO CA
C A 0065 GLU C 3.183 C A 0066 PRO C
C A 0065 GLU C 3.613 C A 0066 PRO CB
C A 0065 GLU C 3.700 C A 0066 PRO CG
C A 0065 GLU C 2.498 C A 0066 PRO CD
C A 0065 GLU CB 3.531 C A 0066 PRO CD
C A 0066 PRO C 2.468 C A 0067 GLY CA
C A 0066 PRO C 3.423 C A 0067 GLY C
CHARGE_ATTR 2.00 12.00 106
H A 0015 GLU OE1 11.96 H A 0010 ARG NH1
H A 0015 GLU OE1 10.05 H A 0010 ARG NH2
H A 0015 GLU OE2 10.72 H A 0010 ARG NH2
H A 0015 GLU OE1 2.637 H A 0018 LYS NZ
H A 0015 GLU OE2 2.521 H A 0018 LYS NZ
H A 0015 GLU OE1 11.14 H A 0021 HIS ND1
H A 0015 GLU OE2 10.07 H A 0021 HIS ND1
H A 0015 GLU OE2 11.54 H A 0021 HIS NE2
H A 0015 GLU OE1 8.220 H A 0030 ARG NH1
H A 0015 GLU OE1 6.672 H A 0030 ARG NH2
H A 0015 GLU OE2 6.693 H A 0030 ARG NH1
H A 0015 GLU OE2 4.833 H A 0030 ARG NH2
H A 0017 GLU OE1 9.920 H A 0010 ARG NH1
H A 0017 GLU OE1 8.221 H A 0010 ARG NH2
H A 0017 GLU OE2 8.981 H A 0010 ARG NH1
H A 0017 GLU OE2 7.677 H A 0010 ARG NH2
H A 0017 GLU OE1 11.05 H A 0018 LYS NZ
H A 0017 GLU OE1 2.719 H A 0021 HIS ND1
H A 0017 GLU OE1 4.395 H A 0021 HIS NE2
H A 0017 GLU OE2 4.065 H A 0021 HIS ND1
H A 0017 GLU OE2 4.802 H A 0021 HIS NE2
H A 0017 GLU OE1 9.932 C A 0024 ARG NH1
H A 0017 GLU OE1 11.80 C A 0024 ARG NH2
H A 0017 GLU OE2 10.80 C A 0024 ARG NH1
H A 0017 GLU OE1 3.078 H A 0052 ARG NH1
H A 0017 GLU OE1 5.158 H A 0052 ARG NH2
H A 0017 GLU OE2 2.602 H A 0052 ARG NH1
H A 0017 GLU OE2 3.808 H A 0052 ARG NH2
H A 0017 GLU OE1 10.09 H A 0053 ARG NH1
H A 0017 GLU OE1 11.33 H A 0053 ARG NH2
H A 0017 GLU OE2 11.36 H A 0053 ARG NH1
H A 0017 GLU OE2 10.44 H A 0055 LYS NZ
H A 0017 GLU OE2 11.74 C A 0063 LYS NZ
H A 0019 GLU OE1 5.830 H A 0018 LYS NZ
H A 0019 GLU OE2 7.991 H A 0018 LYS NZ
H A 0019 GLU OE1 9.806 H A 0021 HIS ND1
H A 0019 GLU OE1 11.60 H A 0021 HIS NE2
H A 0019 GLU OE2 10.80 H A 0021 HIS ND1
H A 0019 GLU OE2 11.09 H A 0028 ARG NH2
H A 0019 GLU OE1 10.32 H A 0029 ARG NH1
H A 0019 GLU OE1 11.83 H A 0029 ARG NH2
H A 0019 GLU OE2 9.297 H A 0029 ARG NH1
H A 0019 GLU OE2 10.54 H A 0029 ARG NH2
H A 0019 GLU OE1 4.758 H A 0030 ARG NH1
H A 0019 GLU OE1 2.648 H A 0030 ARG NH2
H A 0019 GLU OE2 4.815 H A 0030 ARG NH1
H A 0019 GLU OE2 3.497 H A 0030 ARG NH2
H A 0019 GLU OE1 11.98 H A 0031 ARG NH1
H A 0019 GLU OE2 10.18 H A 0031 ARG NH1
H A 0019 GLU OE2 11.88 H A 0031 ARG NH2
H A 0019 GLU OE1 11.92 H A 0053 ARG NH1
H A 0019 GLU OE1 11.66 H A 0053 ARG NH2
H A 0019 GLU OE2 10.80 H A 0053 ARG NH1
H A 0019 GLU OE2 10.32 H A 0053 ARG NH2
H A 0033 GLU OE1 10.10 H A 0018 LYS NZ
H A 0033 GLU OE1 10.23 H A 0028 ARG NH2
H A 0033 GLU OE2 10.27 H A 0028 ARG NH2
H A 0033 GLU OE1 4.000 H A 0029 ARG NH1
H A 0033 GLU OE1 6.112 H A 0029 ARG NH2
H A 0033 GLU OE2 2.637 H A 0029 ARG NH1
H A 0033 GLU OE2 4.844 H A 0029 ARG NH2
H A 0033 GLU OE1 2.655 H A 0030 ARG NH1
H A 0033 GLU OE1 4.883 H A 0030 ARG NH2
H A 0033 GLU OE2 4.796 H A 0030 ARG NH1
H A 0033 GLU OE2 7.072 H A 0030 ARG NH2
H A 0033 GLU OE1 11.84 H A 0031 ARG NH1
H A 0033 GLU OE1 8.597 H A 0036 HIS ND1
H A 0033 GLU OE1 9.774 H A 0036 HIS NE2
H A 0033 GLU OE2 8.237 H A 0036 HIS ND1
H A 0033 GLU OE2 9.491 H A 0036 HIS NE2
H A 0042 GLU OE1 4.810 H A 0028 ARG NH1
H A 0042 GLU OE1 4.329 H A 0028 ARG NH2
H A 0042 GLU OE2 2.627 H A 0028 ARG NH1
H A 0042 GLU OE2 2.628 H A 0028 ARG NH2
H A 0042 GLU OE1 4.687 H A 0031 ARG NH1
H A 0042 GLU OE1 3.139 H A 0031 ARG NH2
H A 0042 GLU OE2 4.511 H A 0031 ARG NH1
H A 0042 GLU OE2 2.634 H A 0031 ARG NH2
H A 0042 GLU OE1 11.52 H A 0036 HIS ND1
H A 0042 GLU OE1 9.881 H A 0036 HIS NE2
H A 0042 GLU OE2 10.89 H A 0036 HIS ND1
H A 0042 GLU OE2 9.239 H A 0036 HIS NE2
H A 0042 GLU OE1 9.776 H A 0043 ARG NH1
H A 0042 GLU OE1 11.11 H A 0043 ARG NH2
H A 0042 GLU OE2 11.12 H A 0043 ARG NH1
H A 0042 GLU OE1 4.994 H A 0046 LYS NZ
H A 0042 GLU OE2 6.417 H A 0046 LYS NZ
H A 0042 GLU OE1 11.10 H A 0053 ARG NH2
H A 0059 GLU OE1 8.244 H A 0052 ARG NH1
H A 0059 GLU OE1 5.965 H A 0052 ARG NH2
H A 0059 GLU OE2 8.429 H A 0052 ARG NH1
H A 0059 GLU OE2 6.151 H A 0052 ARG NH2
H A 0059 GLU OE1 4.033 H A 0055 LYS NZ
H A 0059 GLU OE2 4.851 H A 0055 LYS NZ
H A 0059 GLU OE1 10.29 H A 0057 LYS NZ
H A 0059 GLU OE2 8.795 H A 0057 LYS NZ
H A 0059 GLU OE1 8.452 H A 0058 LYS NZ
H A 0059 GLU OE2 6.286 H A 0058 LYS NZ
H A 0059 GLU OE1 9.806 C A 0061 LYS NZ
H A 0059 GLU OE2 8.701 C A 0061 LYS NZ
C A 0065 GLU OE1 6.383 H A 0057 LYS NZ
C A 0065 GLU OE2 6.218 H A 0057 LYS NZ
C A 0065 GLU OE1 11.92 H A 0058 LYS NZ
C A 0065 GLU OE1 2.577 C A 0061 LYS NZ
C A 0065 GLU OE2 2.573 C A 0061 LYS NZ
C A 0065 GLU OE2 10.78 C A 0063 LYS NZ
CHARGE_REPU 2.00 12.00 105
H A 0010 ARG NH2 11.29 H A 0018 LYS NZ
H A 0010 ARG NH1 11.20 H A 0021 HIS ND1
H A 0010 ARG NH1 11.39 H A 0021 HIS NE2
H A 0010 ARG NH2 9.613 H A 0021 HIS ND1
H A 0010 ARG NH2 10.16 H A 0021 HIS NE2
H A 0010 ARG NH1 10.87 H A 0052 ARG NH1
H A 0010 ARG NH1 11.10 H A 0052 ARG NH2
H A 0010 ARG NH2 9.454 H A 0052 ARG NH1
H A 0010 ARG NH2 10.07 H A 0052 ARG NH2
H A 0015 GLU OE1 11.20 H A 0017 GLU OE1
H A 0015 GLU OE2 10.22 H A 0017 GLU OE1
H A 0015 GLU OE2 11.94 H A 0017 GLU OE2
H A 0015 GLU OE1 6.511 H A 0019 GLU OE1
H A 0015 GLU OE1 8.586 H A 0019 GLU OE2
H A 0015 GLU OE2 4.325 H A 0019 GLU OE1
H A 0015 GLU OE2 6.430 H A 0019 GLU OE2
H A 0015 GLU OE1 10.52 H A 0033 GLU OE1
H A 0015 GLU OE2 9.127 H A 0033 GLU OE1
H A 0015 GLU OE2 11.23 H A 0033 GLU OE2
H A 0017 GLU OE1 10.11 H A 0019 GLU OE1
H A 0017 GLU OE1 11.00 H A 0019 GLU OE2
H A 0017 GLU OE1 10.77 H A 0059 GLU OE1
H A 0017 GLU OE1 11.28 H A 0059 GLU OE2
H A 0017 GLU OE2 8.850 H A 0059 GLU OE1
H A 0017 GLU OE2 9.616 H A 0059 GLU OE2
H A 0018 LYS NZ 10.37 H A 0021 HIS ND1
H A 0018 LYS NZ 11.43 H A 0021 HIS NE2
H A 0018 LYS NZ 7.553 H A 0030 ARG NH1
H A 0018 LYS NZ 5.805 H A 0030 ARG NH2
H A 0019 GLU OE1 7.024 H A 0033 GLU OE1
H A 0019 GLU OE1 9.229 H A 0033 GLU OE2
H A 0019 GLU OE2 6.444 H A 0033 GLU OE1
H A 0019 GLU OE2 8.509 H A 0033 GLU OE2
H A 0019 GLU OE2 11.98 H A 0042 GLU OE1
H A 0021 HIS ND1 10.08 C A 0024 ARG NH1
H A 0021 HIS NE2 11.15 C A 0024 ARG NH1
H A 0021 HIS ND1 5.292 H A 0052 ARG NH1
H A 0021 HIS ND1 7.204 H A 0052 ARG NH2
H A 0021 HIS NE2 6.475 H A 0052 ARG NH1
H A 0021 HIS NE2 7.916 H A 0052 ARG NH2
H A 0021 HIS ND1 11.06 H A 0053 ARG NH1
H A 0021 HIS ND1 10.88 C A 0063 LYS NZ
H A 0021 HIS NE2 9.441 C A 0063 LYS NZ
C A 0024 ARG NH1 8.874 H A 0052 ARG NH1
C A 0024 ARG NH1 9.738 H A 0052 ARG NH2
C A 0024 ARG NH2 10.58 H A 0052 ARG NH1
C A 0024 ARG NH2 11.34 H A 0052 ARG NH2
C A 0024 ARG NH1 5.163 H A 0053 ARG NH1
C A 0024 ARG NH1 7.406 H A 0053 ARG NH2
C A 0024 ARG NH2 4.635 H A 0053 ARG NH1
C A 0024 ARG NH2 6.597 H A 0053 ARG NH2
C A 0024 ARG NH1 9.887 H A 0057 LYS NZ
C A 0024 ARG NH2 10.76 H A 0057 LYS NZ
C A 0024 ARG NH1 11.80 C A 0063 LYS NZ
H A 0028 ARG NH2 11.32 H A 0029 ARG NH1
H A 0028 ARG NH2 11.87 H A 0029 ARG NH2
H A 0028 ARG NH2 11.60 H A 0030 ARG NH1
H A 0028 ARG NH1 5.488 H A 0031 ARG NH1
H A 0028 ARG NH1 3.941 H A 0031 ARG NH2
H A 0028 ARG NH2 4.747 H A 0031 ARG NH1
H A 0028 ARG NH2 3.907 H A 0031 ARG NH2
H A 0028 ARG NH1 10.76 H A 0036 HIS ND1
H A 0028 ARG NH1 9.193 H A 0036 HIS NE2
H A 0028 ARG NH2 9.363 H A 0036 HIS ND1
H A 0028 ARG NH2 8.035 H A 0036 HIS NE2
H A 0028 ARG NH1 8.540 H A 0046 LYS NZ
H A 0028 ARG NH2 8.817 H A 0046 LYS NZ
H A 0029 ARG NH1 6.198 H A 0030 ARG NH1
H A 0029 ARG NH1 8.295 H A 0030 ARG NH2
H A 0029 ARG NH2 8.157 H A 0030 ARG NH1
H A 0029 ARG NH2 10.06 H A 0030 ARG NH2
H A 0029 ARG NH1 10.65 H A 0036 HIS ND1
H A 0029 ARG NH1 11.76 H A 0036 HIS NE2
H A 0030 ARG NH1 9.921 H A 0036 HIS ND1
H A 0030 ARG NH1 11.11 H A 0036 HIS NE2
H A 0030 ARG NH2 11.38 H A 0036 HIS ND1
H A 0031 ARG NH2 11.49 H A 0036 HIS NE2
H A 0031 ARG NH2 11.64 H A 0043 ARG NH1
H A 0031 ARG NH1 6.729 H A 0046 LYS NZ
H A 0031 ARG NH2 5.544 H A 0046 LYS NZ
H A 0031 ARG NH1 10.57 H A 0053 ARG NH1
H A 0031 ARG NH1 8.400 H A 0053 ARG NH2
H A 0031 ARG NH2 10.14 H A 0053 ARG NH2
H A 0043 ARG NH1 7.077 H A 0046 LYS NZ
H A 0043 ARG NH2 8.517 H A 0046 LYS NZ
H A 0046 LYS NZ 10.17 H A 0053 ARG NH2
H A 0052 ARG NH1 9.184 H A 0053 ARG NH1
H A 0052 ARG NH1 10.60 H A 0053 ARG NH2
H A 0052 ARG NH2 10.39 H A 0053 ARG NH1
H A 0052 ARG NH2 11.86 H A 0053 ARG NH2
H A 0052 ARG NH1 9.775 H A 0055 LYS NZ
H A 0052 ARG NH2 7.809 H A 0055 LYS NZ
H A 0052 ARG NH1 11.60 H A 0057 LYS NZ
H A 0052 ARG NH2 10.36 H A 0057 LYS NZ
H A 0052 ARG NH1 11.66 H A 0058 LYS NZ
H A 0052 ARG NH2 9.986 H A 0058 LYS NZ
H A 0055 LYS NZ 9.113 H A 0058 LYS NZ
H A 0057 LYS NZ 8.706 H A 0058 LYS NZ
H A 0057 LYS NZ 4.417 C A 0061 LYS NZ
H A 0057 LYS NZ 10.17 C A 0063 LYS NZ
H A 0058 LYS NZ 9.884 C A 0061 LYS NZ
H A 0059 GLU OE1 11.19 C A 0065 GLU OE2
H A 0059 GLU OE2 11.04 C A 0065 GLU OE1
H A 0059 GLU OE2 10.50 C A 0065 GLU OE2
C A 0061 LYS NZ 11.46 C A 0063 LYS NZ
HB_MM 2.00 3.20 120
C A 0007 THR N 2.263 C A 0006 MET O
C A 0008 TYR N 2.254 C A 0007 THR O
C A 0009 THR N 2.244 C A 0008 TYR O
H A 0010 ARG N 2.256 C A 0009 THR O
H A 0011 TYR N 2.260 H A 0010 ARG O
H A 0012 GLN N 2.249 H A 0011 TYR O
H A 0013 THR N 2.882 C A 0009 THR O
H A 0013 THR N 2.246 H A 0012 GLN O
H A 0014 LEU N 2.779 H A 0010 ARG O
H A 0014 LEU N 2.876 H A 0011 TYR O
H A 0014 LEU N 2.244 H A 0013 THR O
H A 0015 GLU N 2.775 H A 0011 TYR O
H A 0015 GLU N 3.190 H A 0012 GLN O
H A 0015 GLU N 2.259 H A 0014 LEU O
H A 0016 LEU N 2.822 H A 0012 GLN O
H A 0016 LEU N 2.237 H A 0015 GLU O
H A 0017 GLU N 2.948 H A 0013 THR O
H A 0017 GLU N 3.054 H A 0014 LEU O
H A 0017 GLU N 2.242 H A 0016 LEU O
H A 0018 LYS N 2.848 H A 0014 LEU O
H A 0018 LYS N 2.237 H A 0017 GLU O
H A 0019 GLU N 2.709 H A 0015 GLU O
H A 0019 GLU N 3.114 H A 0016 LEU O
H A 0019 GLU N 2.242 H A 0018 LYS O
H A 0020 PHE N 2.767 H A 0016 LEU O
H A 0020 PHE N 3.021 H A 0017 GLU O
H A 0020 PHE N 2.243 H A 0019 GLU O
H A 0021 HIS N 2.754 H A 0017 GLU O
H A 0021 HIS N 2.246 H A 0020 PHE O
C A 0022 PHE N 2.890 H A 0018 LYS O
C A 0022 PHE N 2.254 H A 0021 HIS O
C A 0023 ASN N 2.740 H A 0019 GLU O
C A 0023 ASN N 2.249 C A 0022 PHE O
C A 0024 ARG N 2.233 C A 0023 ASN O
C A 0025 TYR N 2.245 C A 0024 ARG O
C A 0026 LEU N 2.243 C A 0025 TYR O
C A 0027 THR N 2.265 C A 0026 LEU O
H A 0028 ARG N 2.255 C A 0027 THR O
H A 0029 ARG N 2.257 H A 0028 ARG O
H A 0030 ARG N 2.245 H A 0029 ARG O
H A 0031 ARG N 2.838 C A 0027 THR O
H A 0031 ARG N 2.232 H A 0030 ARG O
H A 0032 ILE N 3.124 H A 0028 ARG O
H A 0032 ILE N 2.993 H A 0029 ARG O
H A 0032 ILE N 2.248 H A 0031 ARG O
H A 0033 GLU N 2.871 H A 0029 ARG O
H A 0033 GLU N 2.990 H A 0030 ARG O
H A 0033 GLU N 2.240 H A 0032 ILE O
H A 0034 ILE N 2.816 H A 0030 ARG O
H A 0034 ILE N 2.247 H A 0033 GLU O
H A 0035 ALA N 2.806 H A 0031 ARG O
H A 0035 ALA N 3.050 H A 0032 ILE O
H A 0035 ALA N 2.234 H A 0034 ILE O
H A 0036 HIS N 2.749 H A 0032 ILE O
H A 0036 HIS N 3.075 H A 0033 GLU O
H A 0036 HIS N 3.144 H A 0034 ILE O
H A 0036 HIS N 2.250 H A 0035 ALA O
H A 0037 ALA N 2.844 H A 0033 GLU O
H A 0037 ALA N 3.055 H A 0034 ILE O
H A 0037 ALA N 2.254 H A 0036 HIS O
H A 0038 LEU N 2.747 H A 0034 ILE O
H A 0038 LEU N 3.166 H A 0036 HIS O
H A 0038 LEU N 2.246 H A 0037 ALA O
C A 0039 SER N 2.693 H A 0035 ALA O
C A 0039 SER N 3.074 H A 0036 HIS O
C A 0039 SER N 2.260 H A 0038 LEU O
C A 0040 LEU N 3.033 H A 0035 ALA O
C A 0040 LEU N 2.257 C A 0039 SER O
C A 0041 THR N 2.246 C A 0040 LEU O
H A 0042 GLU N 2.251 C A 0041 THR O
H A 0043 ARG N 2.706 C A 0041 THR O
H A 0043 ARG N 2.252 H A 0042 GLU O
H A 0044 GLN N 3.109 H A 0042 GLU O
H A 0044 GLN N 2.266 H A 0043 ARG O
H A 0045 ILE N 2.801 H A 0042 GLU O
H A 0045 ILE N 2.247 H A 0044 GLN O
H A 0046 LYS N 2.879 H A 0042 GLU O
H A 0046 LYS N 2.247 H A 0045 ILE O
H A 0047 ILE N 2.886 H A 0043 ARG O
H A 0047 ILE N 2.256 H A 0046 LYS O
H A 0048 TRP N 2.776 H A 0044 GLN O
H A 0048 TRP N 2.254 H A 0047 ILE O
H A 0049 PHE N 2.777 H A 0045 ILE O
H A 0049 PHE N 3.176 H A 0046 LYS O
H A 0049 PHE N 2.245 H A 0048 TRP O
H A 0050 GLN N 2.905 H A 0046 LYS O
H A 0050 GLN N 3.067 H A 0047 ILE O
H A 0050 GLN N 2.247 H A 0049 PHE O
H A 0051 ASN N 2.860 H A 0047 ILE O
H A 0051 ASN N 2.246 H A 0050 GLN O
H A 0052 ARG N 2.748 H A 0048 TRP O
H A 0052 ARG N 2.250 H A 0051 ASN O
H A 0053 ARG N 2.845 H A 0050 GLN O
H A 0053 ARG N 3.097 H A 0051 ASN O
H A 0053 ARG N 2.235 H A 0052 ARG O
H A 0054 MET N 2.882 H A 0051 ASN O
H A 0054 MET N 2.243 H A 0053 ARG O
H A 0055 LYS N 2.905 H A 0051 ASN O
H A 0055 LYS N 2.264 H A 0054 MET O
H A 0056 TRP N 2.634 H A 0052 ARG O
H A 0056 TRP N 2.943 H A 0053 ARG O
H A 0056 TRP N 2.219 H A 0055 LYS O
H A 0057 LYS N 2.264 H A 0056 TRP O
H A 0058 LYS N 3.121 H A 0056 TRP O
H A 0058 LYS N 2.253 H A 0057 LYS O
H A 0059 GLU N 2.927 H A 0056 TRP O
H A 0059 GLU N 2.250 H A 0058 LYS O
C A 0060 ASN N 2.879 H A 0056 TRP O
C A 0060 ASN N 2.254 H A 0059 GLU O
C A 0061 LYS N 2.732 H A 0059 GLU O
C A 0061 LYS N 2.255 C A 0060 ASN O
C A 0062 THR N 2.258 C A 0061 LYS O
C A 0063 LYS N 2.689 C A 0061 LYS O
C A 0063 LYS N 2.241 C A 0062 THR O
C A 0064 GLY N 2.242 C A 0063 LYS O
C A 0065 GLU N 2.894 C A 0063 LYS O
C A 0065 GLU N 2.269 C A 0064 GLY O
C A 0066 PRO N 2.242 C A 0065 GLU O
C A 0067 GLY N 2.792 C A 0065 GLU O
C A 0067 GLY N 2.257 C A 0066 PRO O
HB_MS 2.00 3.20 20
C A 0006 MET O 3.009 C A 0007 THR OG1
C A 0009 THR N 2.956 H A 0012 GLN OE1
C A 0009 THR O 2.792 H A 0013 THR OG1
H A 0012 GLN N 2.931 C A 0009 THR OG1
H A 0017 GLU O 2.865 H A 0021 HIS ND1
C A 0024 ARG N 3.000 C A 0023 ASN OD1
C A 0024 ARG O 2.671 H A 0053 ARG NH1
C A 0024 ARG O 2.744 H A 0053 ARG NH2
C A 0025 TYR N 2.861 C A 0023 ASN OD1
C A 0026 LEU O 2.659 H A 0031 ARG NH1
H A 0028 ARG N 2.775 C A 0027 THR OG1
H A 0038 LEU O 2.760 H A 0012 GLN NE2
H A 0038 LEU O 2.722 C A 0039 SER OG
H A 0054 MET O 2.701 H A 0058 LYS NZ
H A 0055 LYS O 2.678 H A 0052 ARG NH2
H A 0056 TRP O 2.838 C A 0060 ASN ND2
C A 0062 THR N 2.620 C A 0065 GLU OE2
C A 0064 GLY O 2.696 H A 0057 LYS NZ
C A 0064 GLY O 2.673 C A 0061 LYS NZ
C A 0067 GLY O 2.652 H A 0057 LYS NZ
HB_SS 2.00 3.20 3
H A 0015 GLU OE1 2.679 H A 0011 TYR OH
C A 0024 ARG NH2 2.732 C A 0025 TYR OH
H A 0044 GLN NE2 2.799 C A 0008 TYR OH
AROMATIC 0.00 8.00 12
C A 0024 ARG 5.703 H A 0020 PHE
H A 0052 ARG 4.537 H A 0020 PHE
H A 0053 ARG 4.896 H A 0020 PHE
H A 0018 LYS 7.106 H A 0011 TYR
H A 0052 ARG 6.285 H A 0021 HIS
H A 0030 ARG 5.280 C A 0022 PHE
C A 0024 ARG 4.984 C A 0025 TYR
H A 0053 ARG 4.407 C A 0025 TYR
C A 0024 ARG 3.619 H A 0056 TRP
H A 0052 ARG 7.868 H A 0056 TRP
H A 0052 ARG 6.136 H A 0048 TRP
H A 0053 ARG 5.226 H A 0049 PHE