Complet list of 1whc con file
Complete list of 1whc.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 324
C A 0001 GLY CA 3.785 C A 0002 SER CA
C A 0001 GLY C 2.418 C A 0002 SER CA
C A 0001 GLY C 3.519 C A 0002 SER C
C A 0001 GLY C 3.418 C A 0002 SER CB
C A 0002 SER CA 3.785 C A 0003 SER CA
C A 0002 SER C 2.419 C A 0003 SER CA
C A 0002 SER C 3.550 C A 0003 SER C
C A 0002 SER C 3.380 C A 0003 SER CB
C A 0003 SER CA 3.784 C A 0004 GLY CA
C A 0003 SER C 2.419 C A 0004 GLY CA
C A 0003 SER C 3.711 C A 0004 GLY C
C A 0004 GLY CA 3.785 C A 0005 SER CA
C A 0004 GLY C 2.418 C A 0005 SER CA
C A 0004 GLY C 3.473 C A 0005 SER C
C A 0004 GLY C 3.468 C A 0005 SER CB
C A 0005 SER CA 3.785 C A 0006 SER CA
C A 0005 SER C 2.418 C A 0006 SER CA
C A 0005 SER C 2.975 C A 0006 SER C
C A 0005 SER C 2.998 C A 0006 SER CB
C A 0006 SER CA 3.785 C A 0007 GLY CA
C A 0006 SER C 2.419 C A 0007 GLY CA
C A 0006 SER C 3.553 C A 0007 GLY C
C A 0007 GLY CA 3.785 C A 0008 ALA CA
C A 0007 GLY C 2.419 C A 0008 ALA CA
C A 0007 GLY C 3.364 C A 0008 ALA C
C A 0007 GLY C 3.528 C A 0008 ALA CB
C A 0008 ALA CA 3.786 C A 0009 GLU CA
C A 0008 ALA C 2.419 C A 0009 GLU CA
C A 0008 ALA C 3.544 C A 0009 GLU C
C A 0008 ALA C 3.385 C A 0009 GLU CB
C A 0008 ALA C 3.525 C A 0009 GLU CG
C A 0008 ALA C 3.196 C A 0009 GLU CD
C A 0009 GLU CA 3.785 C A 0010 LEU CA
C A 0009 GLU C 2.419 C A 0010 LEU CA
C A 0009 GLU C 3.034 C A 0010 LEU C
C A 0009 GLU C 3.689 C A 0010 LEU CB
C A 0010 LEU CA 3.785 H A 0011 THR CA
C A 0010 LEU C 2.419 H A 0011 THR CA
C A 0010 LEU C 3.669 H A 0011 THR C
C A 0010 LEU C 3.093 H A 0011 THR CB
C A 0010 LEU C 2.920 H A 0011 THR CG2
C A 0010 LEU CB 3.566 H A 0014 GLU CB
C A 0010 LEU CB 3.762 H A 0014 GLU CG
H A 0011 THR CA 3.785 H A 0012 ALA CA
H A 0011 THR C 2.419 H A 0012 ALA CA
H A 0011 THR C 2.895 H A 0012 ALA C
H A 0011 THR C 3.694 H A 0012 ALA CB
H A 0012 ALA CA 3.785 H A 0013 LEU CA
H A 0012 ALA C 2.418 H A 0013 LEU CA
H A 0012 ALA C 3.037 H A 0013 LEU C
H A 0012 ALA C 3.689 H A 0013 LEU CB
H A 0013 LEU CA 3.786 H A 0014 GLU CA
H A 0013 LEU C 2.419 H A 0014 GLU CA
H A 0013 LEU C 2.840 H A 0014 GLU C
H A 0013 LEU C 3.699 H A 0014 GLU CB
H A 0013 LEU CD1 3.542 H A 0026 ALA C
H A 0013 LEU CD1 2.997 H A 0026 ALA CB
H A 0013 LEU CG 3.454 H A 0027 GLU CG
H A 0013 LEU CG 3.663 H A 0027 GLU CD
H A 0013 LEU CD1 3.737 H A 0027 GLU CA
H A 0013 LEU CD1 3.487 H A 0027 GLU CG
H A 0013 LEU CD2 3.431 H A 0027 GLU CA
H A 0013 LEU CD2 3.691 H A 0027 GLU CG
H A 0013 LEU CD2 3.702 H A 0027 GLU CD
H A 0013 LEU CD2 3.396 H A 0030 LEU CB
H A 0013 LEU CD2 3.490 H A 0030 LEU CG
H A 0013 LEU CD2 3.783 H A 0030 LEU CD2
H A 0014 GLU CA 3.785 H A 0015 SER CA
H A 0014 GLU C 2.418 H A 0015 SER CA
H A 0014 GLU C 2.841 H A 0015 SER C
H A 0014 GLU C 3.700 H A 0015 SER CB
H A 0015 SER CA 3.784 H A 0016 LEU CA
H A 0015 SER C 2.419 H A 0016 LEU CA
H A 0015 SER C 2.945 H A 0016 LEU C
H A 0015 SER C 3.705 H A 0016 LEU CB
H A 0015 SER CB 3.190 H A 0038 ILE CD1
H A 0016 LEU CA 3.785 H A 0017 ILE CA
H A 0016 LEU C 2.418 H A 0017 ILE CA
H A 0016 LEU C 2.878 H A 0017 ILE C
H A 0016 LEU C 3.705 H A 0017 ILE CB
H A 0016 LEU CD2 3.129 C A 0019 MET CE
H A 0016 LEU CD1 2.868 H A 0030 LEU CD2
H A 0016 LEU CD2 3.750 H A 0038 ILE CG1
H A 0016 LEU CD2 3.328 H A 0038 ILE CG2
H A 0016 LEU CD1 3.676 H A 0041 ALA CB
H A 0017 ILE CA 3.785 H A 0018 GLU CA
H A 0017 ILE C 2.419 H A 0018 GLU CA
H A 0017 ILE C 2.978 H A 0018 GLU C
H A 0017 ILE C 3.710 H A 0018 GLU CB
H A 0018 GLU CA 3.785 C A 0019 MET CA
H A 0018 GLU C 2.419 C A 0019 MET CA
H A 0018 GLU C 3.266 C A 0019 MET C
H A 0018 GLU C 3.620 C A 0019 MET CB
C A 0019 MET CA 3.785 C A 0020 GLY CA
C A 0019 MET C 2.419 C A 0020 GLY CA
C A 0019 MET C 3.103 C A 0020 GLY C
C A 0019 MET CB 3.403 C A 0021 PHE CD2
C A 0019 MET CB 3.713 C A 0021 PHE CE2
C A 0019 MET CE 3.325 H A 0038 ILE CG2
C A 0020 GLY CA 3.785 C A 0021 PHE CA
C A 0020 GLY C 2.419 C A 0021 PHE CA
C A 0020 GLY C 3.264 C A 0021 PHE C
C A 0020 GLY C 3.599 C A 0021 PHE CB
C A 0021 PHE CA 2.872 H A 0022 PRO CD
C A 0021 PHE C 2.449 H A 0022 PRO CA
C A 0021 PHE C 3.137 H A 0022 PRO C
C A 0021 PHE C 3.642 H A 0022 PRO CB
C A 0021 PHE C 3.683 H A 0022 PRO CG
C A 0021 PHE C 2.513 H A 0022 PRO CD
C A 0021 PHE CB 3.473 H A 0022 PRO CD
H A 0022 PRO CA 3.784 H A 0023 ARG CA
H A 0022 PRO C 2.418 H A 0023 ARG CA
H A 0022 PRO C 2.904 H A 0023 ARG C
H A 0022 PRO C 3.709 H A 0023 ARG CB
H A 0022 PRO CG 3.763 H A 0025 ARG CB
H A 0022 PRO CG 3.706 H A 0025 ARG CD
H A 0023 ARG CA 3.785 H A 0024 GLY CA
H A 0023 ARG C 2.419 H A 0024 GLY CA
H A 0023 ARG C 2.824 H A 0024 GLY C
H A 0023 ARG CG 3.694 H A 0027 GLU CG
H A 0024 GLY CA 3.785 H A 0025 ARG CA
H A 0024 GLY C 2.418 H A 0025 ARG CA
H A 0024 GLY C 3.046 H A 0025 ARG C
H A 0024 GLY C 3.705 H A 0025 ARG CB
H A 0025 ARG CA 3.785 H A 0026 ALA CA
H A 0025 ARG C 2.419 H A 0026 ALA CA
H A 0025 ARG C 2.803 H A 0026 ALA C
H A 0025 ARG C 3.677 H A 0026 ALA CB
H A 0025 ARG CB 3.678 H A 0045 LEU CD2
H A 0025 ARG CD 3.738 H A 0045 LEU CD2
H A 0025 ARG CG 3.367 C A 0054 VAL CG2
H A 0026 ALA CA 3.784 H A 0027 GLU CA
H A 0026 ALA C 2.418 H A 0027 GLU CA
H A 0026 ALA C 2.913 H A 0027 GLU C
H A 0026 ALA C 3.711 H A 0027 GLU CB
H A 0026 ALA C 3.739 H A 0030 LEU CD2
H A 0027 GLU CA 3.785 H A 0028 LYS CA
H A 0027 GLU C 2.418 H A 0028 LYS CA
H A 0027 GLU C 2.883 H A 0028 LYS C
H A 0027 GLU C 3.706 H A 0028 LYS CB
H A 0028 LYS CA 3.785 H A 0029 ALA CA
H A 0028 LYS C 2.419 H A 0029 ALA CA
H A 0028 LYS C 2.923 H A 0029 ALA C
H A 0028 LYS C 3.695 H A 0029 ALA CB
H A 0028 LYS CG 3.434 H A 0032 LEU CD1
H A 0028 LYS CD 3.738 H A 0032 LEU CD1
H A 0028 LYS CE 3.690 H A 0032 LEU CD1
H A 0028 LYS CD 3.386 H A 0044 TRP CH2
H A 0028 LYS CE 3.797 H A 0044 TRP CZ2
H A 0028 LYS CE 3.747 H A 0044 TRP CH2
H A 0029 ALA CA 3.786 H A 0030 LEU CA
H A 0029 ALA C 2.419 H A 0030 LEU CA
H A 0029 ALA C 2.808 H A 0030 LEU C
H A 0029 ALA C 3.695 H A 0030 LEU CB
H A 0029 ALA CB 3.636 H A 0044 TRP CE3
H A 0030 LEU CA 3.785 H A 0031 ALA CA
H A 0030 LEU C 2.419 H A 0031 ALA CA
H A 0030 LEU C 2.955 H A 0031 ALA C
H A 0030 LEU C 3.693 H A 0031 ALA CB
H A 0030 LEU CD1 3.584 H A 0041 ALA CB
H A 0030 LEU CD2 3.519 H A 0041 ALA CB
H A 0031 ALA CA 3.784 H A 0032 LEU CA
H A 0031 ALA C 2.419 H A 0032 LEU CA
H A 0031 ALA C 2.879 H A 0032 LEU C
H A 0031 ALA C 3.706 H A 0032 LEU CB
H A 0032 LEU CA 3.785 H A 0033 THR CA
H A 0032 LEU C 2.419 H A 0033 THR CA
H A 0032 LEU C 3.021 H A 0033 THR C
H A 0032 LEU C 3.670 H A 0033 THR CB
H A 0032 LEU CD1 2.983 H A 0044 TRP CE2
H A 0032 LEU CD1 2.905 H A 0044 TRP CZ2
H A 0032 LEU CD1 3.776 H A 0044 TRP CH2
H A 0033 THR CA 3.784 H A 0034 GLY CA
H A 0033 THR C 2.418 H A 0034 GLY CA
H A 0033 THR C 3.476 H A 0034 GLY C
H A 0033 THR CG2 3.647 H A 0040 ALA C
H A 0033 THR CG2 3.509 H A 0041 ALA CA
H A 0034 GLY CA 3.785 C A 0035 ASN CA
H A 0034 GLY C 2.418 C A 0035 ASN CA
H A 0034 GLY C 2.803 C A 0035 ASN C
H A 0034 GLY C 3.147 C A 0035 ASN CB
H A 0034 GLY C 3.693 C A 0035 ASN CG
C A 0035 ASN CA 3.785 C A 0036 GLN CA
C A 0035 ASN C 2.419 C A 0036 GLN CA
C A 0035 ASN C 3.262 C A 0036 GLN C
C A 0035 ASN C 3.625 C A 0036 GLN CB
C A 0036 GLN CA 3.785 H A 0037 GLY CA
C A 0036 GLN C 2.418 H A 0037 GLY CA
C A 0036 GLN C 3.711 H A 0037 GLY C
H A 0037 GLY CA 3.785 H A 0038 ILE CA
H A 0037 GLY C 2.419 H A 0038 ILE CA
H A 0037 GLY C 3.050 H A 0038 ILE C
H A 0037 GLY C 3.686 H A 0038 ILE CB
H A 0038 ILE CA 3.785 H A 0039 GLU CA
H A 0038 ILE C 2.419 H A 0039 GLU CA
H A 0038 ILE C 2.814 H A 0039 GLU C
H A 0038 ILE C 3.691 H A 0039 GLU CB
H A 0039 GLU CA 3.784 H A 0040 ALA CA
H A 0039 GLU C 2.418 H A 0040 ALA CA
H A 0039 GLU C 2.945 H A 0040 ALA C
H A 0039 GLU C 3.695 H A 0040 ALA CB
H A 0040 ALA CA 3.785 H A 0041 ALA CA
H A 0040 ALA C 2.419 H A 0041 ALA CA
H A 0040 ALA C 2.954 H A 0041 ALA C
H A 0040 ALA C 3.694 H A 0041 ALA CB
H A 0041 ALA CA 3.784 H A 0042 MET CA
H A 0041 ALA C 2.418 H A 0042 MET CA
H A 0041 ALA C 2.822 H A 0042 MET C
H A 0041 ALA C 3.664 H A 0042 MET CB
H A 0042 MET CA 3.785 H A 0043 ASP CA
H A 0042 MET C 2.419 H A 0043 ASP CA
H A 0042 MET C 2.803 H A 0043 ASP C
H A 0042 MET C 3.685 H A 0043 ASP CB
H A 0043 ASP CA 3.785 H A 0044 TRP CA
H A 0043 ASP C 2.419 H A 0044 TRP CA
H A 0043 ASP C 2.925 H A 0044 TRP C
H A 0043 ASP C 3.710 H A 0044 TRP CB
H A 0044 TRP CA 3.786 H A 0045 LEU CA
H A 0044 TRP C 2.419 H A 0045 LEU CA
H A 0044 TRP C 2.838 H A 0045 LEU C
H A 0044 TRP C 3.701 H A 0045 LEU CB
H A 0044 TRP CE3 3.621 H A 0045 LEU CA
H A 0044 TRP CG 3.602 H A 0048 HIS CD2
H A 0044 TRP CD1 3.611 H A 0048 HIS CD2
H A 0044 TRP CD2 3.654 H A 0048 HIS CG
H A 0044 TRP CD2 3.234 H A 0048 HIS CD2
H A 0044 TRP CE2 3.393 H A 0048 HIS CG
H A 0044 TRP CE2 3.054 H A 0048 HIS CD2
H A 0044 TRP CE2 3.272 H A 0048 HIS CE1
H A 0044 TRP CZ2 3.298 H A 0048 HIS CG
H A 0044 TRP CZ2 3.492 H A 0048 HIS CD2
H A 0044 TRP CZ2 3.089 H A 0048 HIS CE1
H A 0044 TRP CZ3 3.578 H A 0048 HIS CB
H A 0044 TRP CZ3 3.673 H A 0048 HIS CG
H A 0044 TRP CH2 3.697 H A 0048 HIS CB
H A 0044 TRP CH2 3.439 H A 0048 HIS CG
H A 0045 LEU CA 3.785 H A 0046 MET CA
H A 0045 LEU C 2.418 H A 0046 MET CA
H A 0045 LEU C 2.852 H A 0046 MET C
H A 0045 LEU C 3.675 H A 0046 MET CB
H A 0046 MET CA 3.785 H A 0047 GLU CA
H A 0046 MET C 2.418 H A 0047 GLU CA
H A 0046 MET C 3.062 H A 0047 GLU C
H A 0046 MET C 3.698 H A 0047 GLU CB
H A 0046 MET C 3.684 H A 0049 GLU CB
H A 0047 GLU CA 3.785 H A 0048 HIS CA
H A 0047 GLU C 2.418 H A 0048 HIS CA
H A 0047 GLU C 3.229 H A 0048 HIS C
H A 0047 GLU C 3.624 H A 0048 HIS CB
H A 0048 HIS CA 3.785 H A 0049 GLU CA
H A 0048 HIS C 2.419 H A 0049 GLU CA
H A 0048 HIS C 2.918 H A 0049 GLU C
H A 0048 HIS C 3.711 H A 0049 GLU CB
H A 0048 HIS CB 3.521 C A 0051 ASP CG
H A 0049 GLU CA 3.785 C A 0050 ASP CA
H A 0049 GLU C 2.419 C A 0050 ASP CA
H A 0049 GLU C 3.463 C A 0050 ASP C
H A 0049 GLU C 3.494 C A 0050 ASP CB
C A 0050 ASP CA 3.785 C A 0051 ASP CA
C A 0050 ASP C 2.418 C A 0051 ASP CA
C A 0050 ASP C 2.807 C A 0051 ASP C
C A 0050 ASP C 3.687 C A 0051 ASP CB
C A 0051 ASP CA 2.872 C A 0052 PRO CD
C A 0051 ASP C 2.449 C A 0052 PRO CA
C A 0051 ASP C 3.136 C A 0052 PRO C
C A 0051 ASP C 3.643 C A 0052 PRO CB
C A 0051 ASP C 3.683 C A 0052 PRO CG
C A 0051 ASP C 2.513 C A 0052 PRO CD
C A 0051 ASP CB 3.512 C A 0052 PRO CD
C A 0051 ASP CG 3.474 C A 0052 PRO CD
C A 0052 PRO CA 3.785 C A 0053 ASP CA
C A 0052 PRO C 2.419 C A 0053 ASP CA
C A 0052 PRO C 3.676 C A 0053 ASP C
C A 0052 PRO C 3.130 C A 0053 ASP CB
C A 0052 PRO C 3.394 C A 0053 ASP CG
C A 0053 ASP CA 3.785 C A 0054 VAL CA
C A 0053 ASP C 2.418 C A 0054 VAL CA
C A 0053 ASP C 3.028 C A 0054 VAL C
C A 0053 ASP C 3.687 C A 0054 VAL CB
C A 0054 VAL CA 3.785 C A 0055 ASP CA
C A 0054 VAL C 2.419 C A 0055 ASP CA
C A 0054 VAL C 3.597 C A 0055 ASP C
C A 0054 VAL C 3.324 C A 0055 ASP CB
C A 0055 ASP CA 3.785 C A 0056 GLU CA
C A 0055 ASP C 2.419 C A 0056 GLU CA
C A 0055 ASP C 2.894 C A 0056 GLU C
C A 0055 ASP C 3.710 C A 0056 GLU CB
C A 0056 GLU CA 2.872 C A 0057 PRO CD
C A 0056 GLU C 2.449 C A 0057 PRO CA
C A 0056 GLU C 3.136 C A 0057 PRO C
C A 0056 GLU C 3.642 C A 0057 PRO CB
C A 0056 GLU C 3.683 C A 0057 PRO CG
C A 0056 GLU C 2.513 C A 0057 PRO CD
C A 0056 GLU CB 3.399 C A 0057 PRO CD
C A 0057 PRO CA 3.784 C A 0058 LEU CA
C A 0057 PRO C 2.418 C A 0058 LEU CA
C A 0057 PRO C 3.425 C A 0058 LEU C
C A 0057 PRO C 3.474 C A 0058 LEU CB
C A 0057 PRO C 3.632 C A 0058 LEU CG
C A 0057 PRO C 3.597 C A 0058 LEU CD1
C A 0058 LEU CA 3.785 C A 0059 SER CA
C A 0058 LEU C 2.418 C A 0059 SER CA
C A 0058 LEU C 3.699 C A 0059 SER C
C A 0058 LEU C 2.949 C A 0059 SER CB
C A 0059 SER CA 3.785 C A 0060 GLY CA
C A 0059 SER C 2.419 C A 0060 GLY CA
C A 0059 SER C 3.480 C A 0060 GLY C
C A 0060 GLY CA 2.872 C A 0061 PRO CD
C A 0060 GLY C 2.449 C A 0061 PRO CA
C A 0060 GLY C 3.136 C A 0061 PRO C
C A 0060 GLY C 3.642 C A 0061 PRO CB
C A 0060 GLY C 3.683 C A 0061 PRO CG
C A 0060 GLY C 2.513 C A 0061 PRO CD
C A 0061 PRO CA 3.785 C A 0062 SER CA
C A 0061 PRO C 2.418 C A 0062 SER CA
C A 0061 PRO C 3.415 C A 0062 SER C
C A 0061 PRO C 3.523 C A 0062 SER CB
C A 0062 SER CA 3.785 C A 0063 SER CA
C A 0062 SER C 2.418 C A 0063 SER CA
C A 0062 SER C 2.950 C A 0063 SER C
C A 0062 SER C 3.022 C A 0063 SER CB
C A 0063 SER CA 3.784 C A 0064 GLY CA
C A 0063 SER C 2.418 C A 0064 GLY CA
C A 0063 SER C 3.242 C A 0064 GLY C
CHARGE_ATTR 2.00 12.00 60
H A 0014 GLU OE1 4.477 H A 0023 ARG NH1
H A 0014 GLU OE1 5.342 H A 0023 ARG NH2
H A 0014 GLU OE2 5.846 H A 0023 ARG NH1
H A 0014 GLU OE2 6.674 H A 0023 ARG NH2
H A 0027 GLU OE1 7.805 H A 0023 ARG NH1
H A 0027 GLU OE1 6.162 H A 0023 ARG NH2
H A 0027 GLU OE2 5.676 H A 0023 ARG NH1
H A 0027 GLU OE2 3.967 H A 0023 ARG NH2
H A 0027 GLU OE1 11.43 H A 0028 LYS NZ
H A 0043 ASP OD1 11.15 H A 0048 HIS ND1
H A 0043 ASP OD1 9.616 H A 0048 HIS NE2
H A 0043 ASP OD2 10.59 H A 0048 HIS NE2
H A 0047 GLU OE1 11.39 H A 0025 ARG NH1
H A 0047 GLU OE1 11.45 H A 0028 LYS NZ
H A 0047 GLU OE1 4.910 H A 0048 HIS ND1
H A 0047 GLU OE1 3.689 H A 0048 HIS NE2
H A 0047 GLU OE2 6.906 H A 0048 HIS ND1
H A 0047 GLU OE2 5.270 H A 0048 HIS NE2
H A 0049 GLU OE1 8.411 H A 0025 ARG NH1
H A 0049 GLU OE1 9.748 H A 0025 ARG NH2
H A 0049 GLU OE2 9.038 H A 0025 ARG NH1
H A 0049 GLU OE2 10.61 H A 0025 ARG NH2
H A 0049 GLU OE1 11.22 H A 0048 HIS ND1
H A 0049 GLU OE1 11.77 H A 0048 HIS NE2
H A 0049 GLU OE2 10.34 H A 0048 HIS ND1
H A 0049 GLU OE2 10.51 H A 0048 HIS NE2
C A 0050 ASP OD1 8.764 H A 0025 ARG NH1
C A 0050 ASP OD1 9.376 H A 0025 ARG NH2
C A 0050 ASP OD2 9.196 H A 0025 ARG NH1
C A 0050 ASP OD2 9.260 H A 0025 ARG NH2
C A 0050 ASP OD1 10.07 H A 0048 HIS ND1
C A 0050 ASP OD1 10.97 H A 0048 HIS NE2
C A 0050 ASP OD2 10.79 H A 0048 HIS ND1
C A 0051 ASP OD1 8.069 H A 0025 ARG NH1
C A 0051 ASP OD1 7.996 H A 0025 ARG NH2
C A 0051 ASP OD2 7.017 H A 0025 ARG NH1
C A 0051 ASP OD2 6.710 H A 0025 ARG NH2
C A 0051 ASP OD1 6.853 H A 0028 LYS NZ
C A 0051 ASP OD2 5.177 H A 0028 LYS NZ
C A 0051 ASP OD1 2.607 H A 0048 HIS ND1
C A 0051 ASP OD1 4.664 H A 0048 HIS NE2
C A 0051 ASP OD2 3.481 H A 0048 HIS ND1
C A 0051 ASP OD2 5.615 H A 0048 HIS NE2
C A 0053 ASP OD1 11.40 H A 0025 ARG NH1
C A 0053 ASP OD1 9.470 H A 0025 ARG NH2
C A 0053 ASP OD2 11.16 H A 0025 ARG NH2
C A 0053 ASP OD1 9.743 H A 0028 LYS NZ
C A 0053 ASP OD2 9.946 H A 0028 LYS NZ
C A 0053 ASP OD1 11.06 H A 0048 HIS ND1
C A 0053 ASP OD2 11.03 H A 0048 HIS ND1
C A 0055 ASP OD1 10.38 H A 0025 ARG NH1
C A 0055 ASP OD1 8.884 H A 0025 ARG NH2
C A 0055 ASP OD2 10.49 H A 0025 ARG NH1
C A 0055 ASP OD2 8.697 H A 0025 ARG NH2
C A 0055 ASP OD1 7.010 H A 0028 LYS NZ
C A 0055 ASP OD2 8.970 H A 0028 LYS NZ
C A 0056 GLU OE1 11.84 H A 0025 ARG NH2
C A 0056 GLU OE1 5.585 H A 0028 LYS NZ
C A 0056 GLU OE2 7.474 H A 0028 LYS NZ
C A 0056 GLU OE1 10.83 H A 0048 HIS ND1
CHARGE_REPU 2.00 12.00 80
C A 0009 GLU OE2 11.49 H A 0014 GLU OE2
C A 0009 GLU OE1 8.406 H A 0018 GLU OE1
C A 0009 GLU OE1 10.62 H A 0018 GLU OE2
C A 0009 GLU OE2 6.192 H A 0018 GLU OE1
C A 0009 GLU OE2 8.409 H A 0018 GLU OE2
C A 0009 GLU OE1 11.92 H A 0039 GLU OE2
C A 0009 GLU OE2 12.00 H A 0039 GLU OE2
H A 0014 GLU OE1 10.36 H A 0018 GLU OE1
H A 0014 GLU OE1 10.27 H A 0018 GLU OE2
H A 0014 GLU OE2 9.879 H A 0018 GLU OE1
H A 0014 GLU OE2 9.971 H A 0018 GLU OE2
H A 0014 GLU OE1 8.998 H A 0027 GLU OE1
H A 0014 GLU OE1 7.479 H A 0027 GLU OE2
H A 0014 GLU OE2 10.81 H A 0027 GLU OE1
H A 0014 GLU OE2 9.254 H A 0027 GLU OE2
H A 0025 ARG NH1 10.27 H A 0028 LYS NZ
H A 0025 ARG NH2 9.820 H A 0028 LYS NZ
H A 0025 ARG NH1 8.653 H A 0048 HIS ND1
H A 0025 ARG NH1 10.09 H A 0048 HIS NE2
H A 0025 ARG NH2 9.155 H A 0048 HIS ND1
H A 0025 ARG NH2 10.93 H A 0048 HIS NE2
H A 0028 LYS NZ 6.683 H A 0048 HIS ND1
H A 0028 LYS NZ 7.934 H A 0048 HIS NE2
H A 0039 GLU OE1 9.519 H A 0043 ASP OD1
H A 0039 GLU OE1 8.314 H A 0043 ASP OD2
H A 0039 GLU OE2 10.41 H A 0043 ASP OD1
H A 0039 GLU OE2 9.530 H A 0043 ASP OD2
H A 0043 ASP OD1 8.155 H A 0047 GLU OE1
H A 0043 ASP OD1 7.250 H A 0047 GLU OE2
H A 0043 ASP OD2 9.555 H A 0047 GLU OE1
H A 0043 ASP OD2 8.451 H A 0047 GLU OE2
H A 0043 ASP OD1 11.43 H A 0049 GLU OE1
H A 0043 ASP OD1 9.330 H A 0049 GLU OE2
H A 0043 ASP OD2 11.52 H A 0049 GLU OE2
H A 0047 GLU OE1 10.21 H A 0049 GLU OE1
H A 0047 GLU OE1 8.610 H A 0049 GLU OE2
H A 0047 GLU OE2 11.38 H A 0049 GLU OE1
H A 0047 GLU OE2 9.519 H A 0049 GLU OE2
H A 0047 GLU OE1 9.397 C A 0050 ASP OD1
H A 0047 GLU OE1 10.75 C A 0050 ASP OD2
H A 0047 GLU OE2 10.88 C A 0050 ASP OD1
H A 0047 GLU OE1 6.397 C A 0051 ASP OD1
H A 0047 GLU OE1 8.083 C A 0051 ASP OD2
H A 0047 GLU OE2 8.575 C A 0051 ASP OD1
H A 0047 GLU OE2 10.22 C A 0051 ASP OD2
H A 0049 GLU OE1 3.595 C A 0050 ASP OD1
H A 0049 GLU OE1 5.488 C A 0050 ASP OD2
H A 0049 GLU OE2 4.539 C A 0050 ASP OD1
H A 0049 GLU OE2 6.734 C A 0050 ASP OD2
H A 0049 GLU OE1 10.83 C A 0051 ASP OD1
H A 0049 GLU OE1 11.60 C A 0051 ASP OD2
H A 0049 GLU OE2 10.42 C A 0051 ASP OD1
H A 0049 GLU OE2 11.38 C A 0051 ASP OD2
C A 0050 ASP OD1 9.030 C A 0051 ASP OD1
C A 0050 ASP OD1 10.15 C A 0051 ASP OD2
C A 0050 ASP OD2 9.247 C A 0051 ASP OD1
C A 0050 ASP OD2 10.28 C A 0051 ASP OD2
C A 0051 ASP OD1 8.690 C A 0053 ASP OD1
C A 0051 ASP OD1 8.711 C A 0053 ASP OD2
C A 0051 ASP OD2 8.014 C A 0053 ASP OD1
C A 0051 ASP OD2 8.416 C A 0053 ASP OD2
C A 0051 ASP OD1 11.19 C A 0055 ASP OD1
C A 0051 ASP OD2 9.054 C A 0055 ASP OD1
C A 0051 ASP OD2 10.15 C A 0055 ASP OD2
C A 0051 ASP OD1 9.774 C A 0056 GLU OE1
C A 0051 ASP OD1 11.55 C A 0056 GLU OE2
C A 0051 ASP OD2 8.323 C A 0056 GLU OE1
C A 0051 ASP OD2 10.31 C A 0056 GLU OE2
C A 0053 ASP OD1 8.799 C A 0055 ASP OD1
C A 0053 ASP OD1 8.577 C A 0055 ASP OD2
C A 0053 ASP OD2 10.17 C A 0055 ASP OD1
C A 0053 ASP OD2 10.27 C A 0055 ASP OD2
C A 0053 ASP OD1 7.153 C A 0056 GLU OE1
C A 0053 ASP OD1 8.145 C A 0056 GLU OE2
C A 0053 ASP OD2 7.098 C A 0056 GLU OE1
C A 0053 ASP OD2 7.693 C A 0056 GLU OE2
C A 0055 ASP OD1 6.040 C A 0056 GLU OE1
C A 0055 ASP OD1 7.732 C A 0056 GLU OE2
C A 0055 ASP OD2 7.443 C A 0056 GLU OE1
C A 0055 ASP OD2 8.945 C A 0056 GLU OE2
HB_MM 2.00 3.20 116
C A 0002 SER N 2.262 C A 0001 GLY O
C A 0003 SER N 2.261 C A 0002 SER O
C A 0004 GLY N 2.262 C A 0003 SER O
C A 0005 SER N 2.261 C A 0004 GLY O
C A 0006 SER N 2.261 C A 0005 SER O
C A 0007 GLY N 2.261 C A 0006 SER O
C A 0008 ALA N 2.261 C A 0007 GLY O
C A 0009 GLU N 2.261 C A 0008 ALA O
C A 0010 LEU N 2.262 C A 0009 GLU O
H A 0011 THR N 2.262 C A 0010 LEU O
H A 0012 ALA N 2.261 H A 0011 THR O
H A 0013 LEU N 3.041 H A 0011 THR O
H A 0013 LEU N 2.261 H A 0012 ALA O
H A 0014 GLU N 2.261 H A 0013 LEU O
H A 0015 SER N 2.674 H A 0011 THR O
H A 0015 SER N 3.041 H A 0013 LEU O
H A 0015 SER N 2.261 H A 0014 GLU O
H A 0016 LEU N 2.677 H A 0013 LEU O
H A 0016 LEU N 3.011 H A 0014 GLU O
H A 0016 LEU N 2.261 H A 0015 SER O
H A 0017 ILE N 2.987 H A 0013 LEU O
H A 0017 ILE N 2.695 H A 0014 GLU O
H A 0017 ILE N 2.261 H A 0016 LEU O
H A 0018 GLU N 2.816 H A 0014 GLU O
H A 0018 GLU N 2.943 H A 0015 SER O
H A 0018 GLU N 2.917 H A 0016 LEU O
H A 0018 GLU N 2.261 H A 0017 ILE O
C A 0019 MET N 2.500 H A 0016 LEU O
C A 0019 MET N 2.901 H A 0017 ILE O
C A 0019 MET N 2.261 H A 0018 GLU O
C A 0020 GLY N 2.730 H A 0017 ILE O
C A 0020 GLY N 2.262 C A 0019 MET O
C A 0021 PHE N 2.262 C A 0020 GLY O
H A 0022 PRO N 2.293 C A 0021 PHE O
H A 0023 ARG N 2.262 H A 0022 PRO O
H A 0024 GLY N 2.261 H A 0023 ARG O
H A 0025 ARG N 2.992 H A 0022 PRO O
H A 0025 ARG N 2.781 H A 0023 ARG O
H A 0025 ARG N 2.262 H A 0024 GLY O
H A 0026 ALA N 2.903 H A 0022 PRO O
H A 0026 ALA N 2.944 H A 0023 ARG O
H A 0026 ALA N 2.262 H A 0025 ARG O
H A 0027 GLU N 2.637 H A 0023 ARG O
H A 0027 GLU N 3.057 H A 0025 ARG O
H A 0027 GLU N 2.261 H A 0026 ALA O
H A 0028 LYS N 2.851 H A 0024 GLY O
H A 0028 LYS N 2.793 H A 0025 ARG O
H A 0028 LYS N 2.262 H A 0027 GLU O
H A 0029 ALA N 2.503 H A 0025 ARG O
H A 0029 ALA N 3.101 H A 0026 ALA O
H A 0029 ALA N 2.261 H A 0028 LYS O
H A 0030 LEU N 2.572 H A 0026 ALA O
H A 0030 LEU N 2.262 H A 0029 ALA O
H A 0031 ALA N 2.677 H A 0027 GLU O
H A 0031 ALA N 2.966 H A 0029 ALA O
H A 0031 ALA N 2.261 H A 0030 LEU O
H A 0032 LEU N 2.515 H A 0028 LYS O
H A 0032 LEU N 2.673 H A 0029 ALA O
H A 0032 LEU N 2.261 H A 0031 ALA O
H A 0033 THR N 2.546 H A 0029 ALA O
H A 0033 THR N 2.262 H A 0032 LEU O
H A 0034 GLY N 2.532 H A 0030 LEU O
H A 0034 GLY N 2.979 H A 0031 ALA O
H A 0034 GLY N 2.261 H A 0033 THR O
C A 0035 ASN N 2.507 H A 0030 LEU O
C A 0035 ASN N 2.262 H A 0034 GLY O
C A 0036 GLN N 3.014 H A 0034 GLY O
C A 0036 GLN N 2.262 C A 0035 ASN O
H A 0037 GLY N 2.261 C A 0036 GLN O
H A 0038 ILE N 2.261 H A 0037 GLY O
H A 0039 GLU N 2.262 H A 0038 ILE O
H A 0040 ALA N 2.856 H A 0038 ILE O
H A 0040 ALA N 2.262 H A 0039 GLU O
H A 0041 ALA N 3.015 H A 0037 GLY O
H A 0041 ALA N 2.573 H A 0038 ILE O
H A 0041 ALA N 2.261 H A 0040 ALA O
H A 0042 MET N 2.500 H A 0038 ILE O
H A 0042 MET N 2.261 H A 0041 ALA O
H A 0043 ASP N 2.962 H A 0039 GLU O
H A 0043 ASP N 2.920 H A 0041 ALA O
H A 0043 ASP N 2.261 H A 0042 MET O
H A 0044 TRP N 2.567 H A 0041 ALA O
H A 0044 TRP N 2.910 H A 0042 MET O
H A 0044 TRP N 2.262 H A 0043 ASP O
H A 0045 LEU N 3.089 H A 0041 ALA O
H A 0045 LEU N 2.687 H A 0042 MET O
H A 0045 LEU N 2.261 H A 0044 TRP O
H A 0046 MET N 2.605 H A 0042 MET O
H A 0046 MET N 2.261 H A 0045 LEU O
H A 0047 GLU N 2.922 H A 0043 ASP O
H A 0047 GLU N 2.752 H A 0044 TRP O
H A 0047 GLU N 2.802 H A 0045 LEU O
H A 0047 GLU N 2.261 H A 0046 MET O
H A 0048 HIS N 2.599 H A 0044 TRP O
H A 0048 HIS N 2.529 H A 0045 LEU O
H A 0048 HIS N 2.262 H A 0047 GLU O
H A 0049 GLU N 2.502 H A 0045 LEU O
H A 0049 GLU N 2.262 H A 0048 HIS O
C A 0050 ASP N 2.834 H A 0048 HIS O
C A 0050 ASP N 2.262 H A 0049 GLU O
C A 0051 ASP N 2.620 H A 0048 HIS O
C A 0051 ASP N 2.261 C A 0050 ASP O
C A 0052 PRO N 2.293 C A 0051 ASP O
C A 0053 ASP N 2.262 C A 0052 PRO O
C A 0054 VAL N 2.261 C A 0053 ASP O
C A 0055 ASP N 2.261 C A 0054 VAL O
C A 0056 GLU N 2.261 C A 0055 ASP O
C A 0057 PRO N 2.292 C A 0056 GLU O
C A 0058 LEU N 2.261 C A 0057 PRO O
C A 0059 SER N 2.261 C A 0058 LEU O
C A 0060 GLY N 2.262 C A 0059 SER O
C A 0061 PRO N 2.292 C A 0060 GLY O
C A 0062 SER N 3.135 C A 0060 GLY O
C A 0062 SER N 2.262 C A 0061 PRO O
C A 0063 SER N 2.261 C A 0062 SER O
C A 0064 GLY N 2.262 C A 0063 SER O
HB_MS 2.00 3.20 4
H A 0029 ALA O 2.505 H A 0033 THR OG1
H A 0030 LEU O 2.518 H A 0033 THR OG1
H A 0034 GLY N 3.099 H A 0033 THR OG1
C A 0058 LEU O 2.659 C A 0059 SER OG
AROMATIC 0.00 8.00 4
H A 0025 ARG 6.453 C A 0021 PHE
H A 0028 LYS 6.079 H A 0044 TRP
H A 0028 LYS 7.518 H A 0048 HIS
H A 0044 TRP 3.303 H A 0048 HIS