Complet list of 2cug con file
Complete list of 2cug.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 350
C A 0001 GLY CA 3.796 C A 0002 SER CA
C A 0001 GLY C 2.434 C A 0002 SER CA
C A 0001 GLY C 2.865 C A 0002 SER C
C A 0001 GLY C 3.699 C A 0002 SER CB
C A 0002 SER C 2.433 C A 0003 SER CA
C A 0002 SER C 3.706 C A 0003 SER C
C A 0002 SER C 3.086 C A 0003 SER CB
C A 0003 SER CA 3.792 C A 0004 GLY CA
C A 0003 SER C 2.417 C A 0004 GLY CA
C A 0003 SER C 3.716 C A 0004 GLY C
C A 0004 GLY CA 3.797 C A 0005 SER CA
C A 0004 GLY C 2.434 C A 0005 SER CA
C A 0004 GLY C 3.707 C A 0005 SER C
C A 0004 GLY C 3.083 C A 0005 SER CB
C A 0005 SER C 2.434 C A 0006 SER CA
C A 0005 SER C 3.648 C A 0006 SER C
C A 0005 SER C 3.254 C A 0006 SER CB
C A 0006 SER CA 3.791 C A 0007 GLY CA
C A 0006 SER C 2.418 C A 0007 GLY CA
C A 0006 SER C 3.682 C A 0007 GLY C
C A 0007 GLY CA 3.795 C A 0008 ILE CA
C A 0007 GLY C 2.434 C A 0008 ILE CA
C A 0007 GLY C 3.031 C A 0008 ILE C
C A 0007 GLY C 3.735 C A 0008 ILE CB
C A 0008 ILE C 2.433 C A 0009 LEU CA
C A 0008 ILE C 3.670 C A 0009 LEU C
C A 0008 ILE C 3.202 C A 0009 LEU CB
C A 0008 ILE C 3.404 C A 0009 LEU CG
C A 0009 LEU C 2.434 C A 0010 GLN CA
C A 0009 LEU C 3.149 C A 0010 GLN C
C A 0009 LEU C 3.689 C A 0010 GLN CB
C A 0010 GLN C 2.434 C A 0011 SER CA
C A 0010 GLN C 3.670 C A 0011 SER C
C A 0010 GLN C 3.205 C A 0011 SER CB
C A 0011 SER C 2.435 C A 0012 LEU CA
C A 0011 SER C 3.670 C A 0012 LEU C
C A 0011 SER C 3.206 C A 0012 LEU CB
C A 0011 SER C 3.798 C A 0012 LEU CG
C A 0011 SER C 3.463 C A 0012 LEU CD2
C A 0012 LEU C 2.434 C A 0013 SER CA
C A 0012 LEU C 3.251 C A 0013 SER C
C A 0012 LEU C 3.650 C A 0013 SER CB
C A 0013 SER C 2.433 C A 0014 ALA CA
C A 0013 SER C 3.240 C A 0014 ALA C
C A 0013 SER C 3.646 C A 0014 ALA CB
C A 0014 ALA C 2.434 C A 0015 LEU CA
C A 0014 ALA C 3.524 C A 0015 LEU C
C A 0014 ALA C 3.442 C A 0015 LEU CB
C A 0015 LEU C 2.434 C A 0016 ASP CA
C A 0015 LEU C 2.820 C A 0016 ASP C
C A 0015 LEU C 3.679 C A 0016 ASP CB
C A 0015 LEU CG 3.675 C A 0017 PHE C
C A 0016 ASP C 2.435 C A 0017 PHE CA
C A 0016 ASP C 3.664 C A 0017 PHE C
C A 0016 ASP C 3.221 C A 0017 PHE CB
C A 0017 PHE C 2.434 C A 0018 ASP CA
C A 0017 PHE C 3.234 C A 0018 ASP C
C A 0017 PHE C 3.657 C A 0018 ASP CB
C A 0017 PHE CD1 3.783 C A 0018 ASP C
C A 0017 PHE CD1 3.600 H A 0022 VAL CG2
C A 0018 ASP CA 2.866 H A 0019 PRO CD
C A 0018 ASP C 2.464 H A 0019 PRO CA
C A 0018 ASP C 3.135 H A 0019 PRO C
C A 0018 ASP C 3.646 H A 0019 PRO CB
C A 0018 ASP C 3.635 H A 0019 PRO CG
C A 0018 ASP C 2.498 H A 0019 PRO CD
C A 0018 ASP CB 3.552 H A 0019 PRO CD
H A 0019 PRO C 2.434 H A 0020 TYR CA
H A 0019 PRO C 2.964 H A 0020 TYR C
H A 0019 PRO C 3.714 H A 0020 TYR CB
H A 0019 PRO CA 3.671 H A 0065 ALA CB
H A 0020 TYR C 2.434 H A 0021 ARG CA
H A 0020 TYR C 3.038 H A 0021 ARG C
H A 0020 TYR C 3.712 H A 0021 ARG CB
H A 0020 TYR CD1 3.724 C A 0025 VAL CG2
H A 0020 TYR CD1 3.632 C A 0026 SER C
H A 0020 TYR CE2 3.172 H A 0069 LEU CD2
H A 0020 TYR CZ 3.434 H A 0069 LEU CD2
H A 0021 ARG C 2.435 H A 0022 VAL CA
H A 0021 ARG C 3.034 H A 0022 VAL C
H A 0021 ARG C 3.735 H A 0022 VAL CB
H A 0022 VAL C 2.435 H A 0023 LEU CA
H A 0022 VAL C 3.013 H A 0023 LEU C
H A 0022 VAL C 3.713 H A 0023 LEU CB
H A 0022 VAL CB 3.431 H A 0065 ALA CB
H A 0022 VAL CG1 3.479 H A 0065 ALA CB
H A 0023 LEU CA 3.792 C A 0024 GLY CA
H A 0023 LEU C 2.418 C A 0024 GLY CA
H A 0023 LEU C 3.303 C A 0024 GLY C
H A 0023 LEU CD1 3.321 H A 0034 ILE CG2
H A 0023 LEU CD2 3.627 H A 0038 TYR CA
H A 0023 LEU C 3.759 H A 0041 LEU CD1
H A 0023 LEU CD2 3.771 H A 0062 ILE CG2
C A 0024 GLY CA 3.797 C A 0025 VAL CA
C A 0024 GLY C 2.434 C A 0025 VAL CA
C A 0024 GLY C 3.583 C A 0025 VAL C
C A 0024 GLY C 3.397 C A 0025 VAL CB
C A 0024 GLY C 3.529 C A 0025 VAL CG1
C A 0025 VAL C 2.434 C A 0026 SER CA
C A 0025 VAL C 3.464 C A 0026 SER C
C A 0025 VAL C 3.505 C A 0026 SER CB
C A 0025 VAL CB 3.539 C A 0029 ALA CB
C A 0026 SER C 2.434 C A 0027 ARG CA
C A 0026 SER C 2.941 C A 0027 ARG C
C A 0026 SER C 3.713 C A 0027 ARG CB
C A 0027 ARG C 2.434 C A 0028 THR CA
C A 0027 ARG C 2.986 C A 0028 THR C
C A 0027 ARG C 3.737 C A 0028 THR CB
C A 0028 THR C 2.433 C A 0029 ALA CA
C A 0028 THR C 3.073 C A 0029 ALA C
C A 0028 THR C 3.698 C A 0029 ALA CB
C A 0029 ALA C 2.434 C A 0030 SER CA
C A 0029 ALA C 3.395 C A 0030 SER C
C A 0029 ALA C 3.562 C A 0030 SER CB
C A 0029 ALA CB 3.731 H A 0033 ASP CB
C A 0030 SER C 2.433 H A 0031 GLN CA
C A 0030 SER C 2.822 H A 0031 GLN C
C A 0030 SER C 3.682 H A 0031 GLN CB
C A 0030 SER C 3.701 H A 0034 ILE CD1
H A 0031 GLN C 2.434 H A 0032 ALA CA
H A 0031 GLN C 3.072 H A 0032 ALA C
H A 0031 GLN C 3.698 H A 0032 ALA CB
H A 0032 ALA C 2.433 H A 0033 ASP CA
H A 0032 ALA C 2.970 H A 0033 ASP C
H A 0032 ALA C 3.714 H A 0033 ASP CB
H A 0033 ASP C 2.433 H A 0034 ILE CA
H A 0033 ASP C 3.014 H A 0034 ILE C
H A 0033 ASP C 3.736 H A 0034 ILE CB
H A 0034 ILE C 2.434 H A 0035 LYS CA
H A 0034 ILE C 2.950 H A 0035 LYS C
H A 0034 ILE C 3.714 H A 0035 LYS CB
H A 0034 ILE CG2 3.317 H A 0066 TYR CD1
H A 0034 ILE CG2 3.474 H A 0066 TYR CE1
H A 0034 ILE CG2 3.774 H A 0069 LEU CD1
H A 0035 LYS C 2.434 H A 0036 LYS CA
H A 0035 LYS C 2.939 H A 0036 LYS C
H A 0035 LYS C 3.713 H A 0036 LYS CB
H A 0035 LYS CA 3.666 H A 0066 TYR CZ
H A 0036 LYS C 2.433 H A 0037 ALA CA
H A 0036 LYS C 3.037 H A 0037 ALA C
H A 0036 LYS C 3.703 H A 0037 ALA CB
H A 0037 ALA C 2.433 H A 0038 TYR CA
H A 0037 ALA C 3.055 H A 0038 TYR C
H A 0037 ALA C 3.709 H A 0038 TYR CB
H A 0038 TYR C 2.434 H A 0039 LYS CA
H A 0038 TYR C 2.945 H A 0039 LYS C
H A 0038 TYR C 3.714 H A 0039 LYS CB
H A 0038 TYR CD2 3.718 H A 0039 LYS CA
H A 0038 TYR CD2 3.542 H A 0039 LYS CG
H A 0038 TYR CE2 3.686 H A 0039 LYS CG
H A 0038 TYR CB 3.562 H A 0066 TYR CG
H A 0038 TYR CB 3.550 H A 0066 TYR CD2
H A 0038 TYR CG 3.777 H A 0066 TYR CB
H A 0038 TYR CG 3.547 H A 0066 TYR CG
H A 0038 TYR CG 3.093 H A 0066 TYR CD2
H A 0038 TYR CG 3.739 H A 0066 TYR CE2
H A 0038 TYR CD1 3.556 H A 0066 TYR CB
H A 0038 TYR CD1 3.538 H A 0066 TYR CD2
H A 0038 TYR CD2 3.123 H A 0066 TYR CD2
H A 0038 TYR CD2 3.340 H A 0066 TYR CE2
H A 0038 TYR CE2 3.598 H A 0066 TYR CD2
H A 0039 LYS C 2.434 H A 0040 LYS CA
H A 0039 LYS C 2.988 H A 0040 LYS C
H A 0039 LYS C 3.715 H A 0040 LYS CB
H A 0040 LYS C 2.434 H A 0041 LEU CA
H A 0040 LYS C 3.106 H A 0041 LEU C
H A 0040 LYS C 3.699 H A 0041 LEU CB
H A 0041 LEU C 2.434 H A 0042 ALA CA
H A 0041 LEU C 3.065 H A 0042 ALA C
H A 0041 LEU C 3.700 H A 0042 ALA CB
H A 0041 LEU CD2 3.179 C A 0045 TRP CD1
H A 0041 LEU CB 3.558 H A 0062 ILE CG2
H A 0042 ALA C 2.434 H A 0043 ARG CA
H A 0042 ALA C 3.121 H A 0043 ARG C
H A 0042 ALA C 3.696 H A 0043 ARG CB
H A 0043 ARG C 2.433 H A 0044 GLU CA
H A 0043 ARG C 3.080 H A 0044 GLU C
H A 0043 ARG C 3.706 H A 0044 GLU CB
H A 0043 ARG C 3.713 C A 0046 HIS CB
H A 0044 GLU C 2.433 C A 0045 TRP CA
H A 0044 GLU C 3.202 C A 0045 TRP C
H A 0044 GLU C 3.668 C A 0045 TRP CB
C A 0045 TRP C 2.434 C A 0046 HIS CA
C A 0045 TRP C 2.987 C A 0046 HIS C
C A 0045 TRP C 3.715 C A 0046 HIS CB
C A 0046 HIS CA 2.868 C A 0047 PRO CD
C A 0046 HIS C 2.465 C A 0047 PRO CA
C A 0046 HIS C 3.136 C A 0047 PRO C
C A 0046 HIS C 3.646 C A 0047 PRO CB
C A 0046 HIS C 3.636 C A 0047 PRO CG
C A 0046 HIS C 2.499 C A 0047 PRO CD
C A 0046 HIS CB 3.655 C A 0047 PRO CD
C A 0046 HIS CG 3.422 C A 0047 PRO CD
C A 0046 HIS CD2 3.385 C A 0047 PRO CD
C A 0046 HIS CE1 3.755 C A 0048 ASP CB
C A 0046 HIS CD2 3.505 H A 0059 PHE CE1
C A 0047 PRO C 2.433 C A 0048 ASP CA
C A 0047 PRO C 2.990 C A 0048 ASP C
C A 0047 PRO C 3.714 C A 0048 ASP CB
C A 0047 PRO CB 3.732 H A 0056 GLU CG
C A 0047 PRO CB 3.694 H A 0056 GLU CD
C A 0048 ASP C 2.434 C A 0049 LYS CA
C A 0048 ASP C 3.321 C A 0049 LYS C
C A 0048 ASP C 3.614 C A 0049 LYS CB
C A 0049 LYS C 2.434 C A 0050 ASN CA
C A 0049 LYS C 3.102 C A 0050 ASN C
C A 0049 LYS C 3.702 C A 0050 ASN CB
C A 0050 ASN C 2.434 C A 0051 LYS CA
C A 0050 ASN C 3.429 C A 0051 LYS C
C A 0050 ASN C 3.537 C A 0051 LYS CB
C A 0050 ASN CB 3.251 H A 0055 ALA CB
C A 0050 ASN CG 3.513 H A 0055 ALA CB
C A 0051 LYS C 2.434 C A 0052 ASP CA
C A 0051 LYS C 2.958 C A 0052 ASP C
C A 0051 LYS C 3.714 C A 0052 ASP CB
C A 0052 ASP CA 2.866 C A 0053 PRO CD
C A 0052 ASP C 2.464 C A 0053 PRO CA
C A 0052 ASP C 3.136 C A 0053 PRO C
C A 0052 ASP C 3.645 C A 0053 PRO CB
C A 0052 ASP C 3.635 C A 0053 PRO CG
C A 0052 ASP C 2.498 C A 0053 PRO CD
C A 0052 ASP CB 3.531 C A 0053 PRO CD
C A 0053 PRO CA 3.792 C A 0054 GLY CA
C A 0053 PRO C 2.417 C A 0054 GLY CA
C A 0053 PRO C 3.547 C A 0054 GLY C
C A 0054 GLY CA 3.796 H A 0055 ALA CA
C A 0054 GLY C 2.433 H A 0055 ALA CA
C A 0054 GLY C 2.858 H A 0055 ALA C
C A 0054 GLY C 3.688 H A 0055 ALA CB
H A 0055 ALA C 2.434 H A 0056 GLU CA
H A 0055 ALA C 2.864 H A 0056 GLU C
H A 0055 ALA C 3.699 H A 0056 GLU CB
H A 0056 GLU C 2.434 H A 0057 ASP CA
H A 0056 GLU C 2.826 H A 0057 ASP C
H A 0056 GLU C 3.683 H A 0057 ASP CB
H A 0057 ASP C 2.433 H A 0058 ARG CA
H A 0057 ASP C 2.920 H A 0058 ARG C
H A 0057 ASP C 3.710 H A 0058 ARG CB
H A 0058 ARG C 2.435 H A 0059 PHE CA
H A 0058 ARG C 2.933 H A 0059 PHE C
H A 0058 ARG C 3.713 H A 0059 PHE CB
H A 0058 ARG C 3.740 H A 0062 ILE CD1
H A 0059 PHE C 2.433 H A 0060 ILE CA
H A 0059 PHE C 2.885 H A 0060 ILE C
H A 0059 PHE C 3.725 H A 0060 ILE CB
H A 0060 ILE C 2.434 H A 0061 GLN CA
H A 0060 ILE C 3.107 H A 0061 GLN C
H A 0060 ILE C 3.699 H A 0061 GLN CB
H A 0061 GLN C 2.433 H A 0062 ILE CA
H A 0061 GLN C 2.869 H A 0062 ILE C
H A 0061 GLN C 3.720 H A 0062 ILE CB
H A 0062 ILE C 2.434 H A 0063 SER CA
H A 0062 ILE C 3.037 H A 0063 SER C
H A 0062 ILE C 3.711 H A 0063 SER CB
H A 0063 SER C 2.434 H A 0064 LYS CA
H A 0063 SER C 3.028 H A 0064 LYS C
H A 0063 SER C 3.712 H A 0064 LYS CB
H A 0064 LYS C 2.433 H A 0065 ALA CA
H A 0064 LYS C 2.930 H A 0065 ALA C
H A 0064 LYS C 3.704 H A 0065 ALA CB
H A 0065 ALA C 2.434 H A 0066 TYR CA
H A 0065 ALA C 3.079 H A 0066 TYR C
H A 0065 ALA C 3.705 H A 0066 TYR CB
H A 0066 TYR C 2.434 H A 0067 GLU CA
H A 0066 TYR C 2.846 H A 0067 GLU C
H A 0066 TYR C 3.693 H A 0067 GLU CB
H A 0066 TYR C 3.767 H A 0070 SER CB
H A 0066 TYR CG 3.523 H A 0070 SER CB
H A 0066 TYR CD1 3.375 H A 0070 SER CB
H A 0066 TYR CD2 3.454 H A 0070 SER CB
H A 0066 TYR CE1 3.419 H A 0070 SER CA
H A 0066 TYR CE1 3.178 H A 0070 SER CB
H A 0066 TYR CE2 3.263 H A 0070 SER CB
H A 0066 TYR CZ 3.725 H A 0070 SER CA
H A 0066 TYR CZ 3.117 H A 0070 SER CB
H A 0067 GLU C 2.433 H A 0068 ILE CA
H A 0067 GLU C 3.064 H A 0068 ILE C
H A 0067 GLU C 3.730 H A 0068 ILE CB
H A 0068 ILE C 2.434 H A 0069 LEU CA
H A 0068 ILE C 3.000 H A 0069 LEU C
H A 0068 ILE C 3.714 H A 0069 LEU CB
H A 0068 ILE CA 3.759 H A 0074 LYS CB
H A 0068 ILE C 3.764 H A 0074 LYS CB
H A 0069 LEU C 2.434 H A 0070 SER CA
H A 0069 LEU C 2.817 H A 0070 SER C
H A 0069 LEU C 3.679 H A 0070 SER CB
H A 0069 LEU CA 3.749 H A 0075 ARG CD
H A 0069 LEU C 3.757 H A 0075 ARG CD
H A 0070 SER C 2.434 C A 0071 ASN CA
H A 0070 SER C 3.096 C A 0071 ASN C
H A 0070 SER C 3.703 C A 0071 ASN CB
C A 0071 ASN C 2.434 H A 0072 GLU CA
C A 0071 ASN C 3.043 H A 0072 GLU C
C A 0071 ASN C 3.712 H A 0072 GLU CB
C A 0071 ASN CB 3.651 H A 0074 LYS CB
C A 0071 ASN CB 3.718 H A 0074 LYS CD
H A 0072 GLU C 2.433 H A 0073 GLU CA
H A 0072 GLU C 2.980 H A 0073 GLU C
H A 0072 GLU C 3.715 H A 0073 GLU CB
H A 0073 GLU C 2.435 H A 0074 LYS CA
H A 0073 GLU C 3.005 H A 0074 LYS C
H A 0073 GLU C 3.715 H A 0074 LYS CB
H A 0074 LYS C 2.433 H A 0075 ARG CA
H A 0074 LYS C 2.957 H A 0075 ARG C
H A 0074 LYS C 3.714 H A 0075 ARG CB
H A 0075 ARG C 2.434 H A 0076 THR CA
H A 0075 ARG C 2.913 H A 0076 THR C
H A 0075 ARG C 3.730 H A 0076 THR CB
H A 0076 THR C 2.434 H A 0077 ASN CA
H A 0076 THR C 2.838 H A 0077 ASN C
H A 0076 THR C 3.689 H A 0077 ASN CB
H A 0076 THR CG2 3.356 H A 0080 HIS CE1
H A 0077 ASN C 2.433 H A 0078 TYR CA
H A 0077 ASN C 2.900 H A 0078 TYR C
H A 0077 ASN C 3.707 H A 0078 TYR CB
H A 0077 ASN C 3.710 H A 0081 TYR CD2
H A 0078 TYR C 2.433 H A 0079 ASP CA
H A 0078 TYR C 2.922 H A 0079 ASP C
H A 0078 TYR C 3.710 H A 0079 ASP CB
H A 0079 ASP C 2.434 H A 0080 HIS CA
H A 0079 ASP C 2.909 H A 0080 HIS C
H A 0079 ASP C 3.709 H A 0080 HIS CB
H A 0080 HIS C 2.433 H A 0081 TYR CA
H A 0080 HIS C 3.086 H A 0081 TYR C
H A 0080 HIS C 3.703 H A 0081 TYR CB
H A 0081 TYR CA 3.792 C A 0082 GLY CA
H A 0081 TYR C 2.418 C A 0082 GLY CA
H A 0081 TYR C 2.966 C A 0082 GLY C
C A 0082 GLY CA 3.797 C A 0083 SER CA
C A 0082 GLY C 2.435 C A 0083 SER CA
C A 0082 GLY C 2.975 C A 0083 SER C
C A 0082 GLY C 3.028 C A 0083 SER CB
C A 0083 SER CA 3.791 C A 0084 GLY CA
C A 0083 SER C 2.418 C A 0084 GLY CA
C A 0083 SER C 3.514 C A 0084 GLY C
C A 0084 GLY CA 2.866 C A 0085 PRO CD
C A 0084 GLY C 2.464 C A 0085 PRO CA
C A 0084 GLY C 3.136 C A 0085 PRO C
C A 0084 GLY C 3.646 C A 0085 PRO CB
C A 0084 GLY C 3.636 C A 0085 PRO CG
C A 0084 GLY C 2.498 C A 0085 PRO CD
C A 0085 PRO C 2.434 C A 0086 SER CA
C A 0085 PRO C 3.052 C A 0086 SER C
C A 0085 PRO C 3.710 C A 0086 SER CB
C A 0086 SER C 2.434 C A 0087 SER CA
C A 0086 SER C 2.907 C A 0087 SER C
C A 0086 SER C 3.709 C A 0087 SER CB
C A 0087 SER CA 3.791 C A 0088 GLY CA
C A 0087 SER C 2.418 C A 0088 GLY CA
C A 0087 SER C 3.426 C A 0088 GLY C
CHARGE_ATTR 2.00 12.00 75
C A 0016 ASP OD2 10.91 H A 0064 LYS NZ
C A 0018 ASP OD1 7.189 H A 0021 ARG NH1
C A 0018 ASP OD1 7.144 H A 0021 ARG NH2
C A 0018 ASP OD2 6.197 H A 0021 ARG NH1
C A 0018 ASP OD2 6.526 H A 0021 ARG NH2
H A 0033 ASP OD1 11.18 H A 0035 LYS NZ
H A 0033 ASP OD1 5.810 H A 0036 LYS NZ
H A 0033 ASP OD2 7.925 H A 0036 LYS NZ
H A 0033 ASP OD1 9.174 H A 0040 LYS NZ
H A 0033 ASP OD2 10.68 H A 0040 LYS NZ
H A 0044 GLU OE1 7.371 H A 0040 LYS NZ
H A 0044 GLU OE2 7.465 H A 0040 LYS NZ
H A 0044 GLU OE1 10.95 H A 0043 ARG NH1
H A 0044 GLU OE1 10.14 H A 0043 ARG NH2
H A 0044 GLU OE2 9.052 H A 0043 ARG NH1
H A 0044 GLU OE2 8.055 H A 0043 ARG NH2
H A 0044 GLU OE1 10.94 C A 0046 HIS ND1
H A 0044 GLU OE2 9.790 C A 0046 HIS ND1
H A 0044 GLU OE2 11.11 C A 0046 HIS NE2
H A 0044 GLU OE1 11.40 C A 0049 LYS NZ
H A 0044 GLU OE2 10.59 C A 0049 LYS NZ
C A 0048 ASP OD1 9.026 H A 0043 ARG NH1
C A 0048 ASP OD1 8.639 H A 0043 ARG NH2
C A 0048 ASP OD2 9.123 H A 0043 ARG NH1
C A 0048 ASP OD2 9.257 H A 0043 ARG NH2
C A 0048 ASP OD1 5.143 C A 0046 HIS ND1
C A 0048 ASP OD1 6.908 C A 0046 HIS NE2
C A 0048 ASP OD2 4.701 C A 0046 HIS ND1
C A 0048 ASP OD2 5.906 C A 0046 HIS NE2
C A 0048 ASP OD1 6.995 C A 0049 LYS NZ
C A 0048 ASP OD2 9.122 C A 0049 LYS NZ
C A 0048 ASP OD1 10.35 C A 0051 LYS NZ
C A 0048 ASP OD2 10.83 C A 0051 LYS NZ
C A 0052 ASP OD1 10.67 C A 0049 LYS NZ
C A 0052 ASP OD1 9.460 C A 0051 LYS NZ
C A 0052 ASP OD2 10.38 C A 0051 LYS NZ
H A 0056 GLU OE1 10.53 C A 0046 HIS ND1
H A 0056 GLU OE1 10.79 C A 0046 HIS NE2
H A 0056 GLU OE2 8.371 C A 0046 HIS ND1
H A 0056 GLU OE2 8.762 C A 0046 HIS NE2
H A 0056 GLU OE1 8.566 C A 0051 LYS NZ
H A 0056 GLU OE2 8.339 C A 0051 LYS NZ
H A 0057 ASP OD1 5.894 H A 0058 ARG NH1
H A 0057 ASP OD1 7.704 H A 0058 ARG NH2
H A 0057 ASP OD2 7.788 H A 0058 ARG NH1
H A 0057 ASP OD2 9.745 H A 0058 ARG NH2
H A 0067 GLU OE1 4.436 H A 0064 LYS NZ
H A 0067 GLU OE2 4.551 H A 0064 LYS NZ
H A 0067 GLU OE1 5.855 H A 0074 LYS NZ
H A 0067 GLU OE2 7.858 H A 0074 LYS NZ
H A 0072 GLU OE1 11.39 H A 0074 LYS NZ
H A 0072 GLU OE1 9.070 H A 0075 ARG NH1
H A 0072 GLU OE1 7.154 H A 0075 ARG NH2
H A 0072 GLU OE2 7.774 H A 0075 ARG NH1
H A 0072 GLU OE2 5.622 H A 0075 ARG NH2
H A 0072 GLU OE1 11.31 H A 0080 HIS ND1
H A 0072 GLU OE1 11.28 H A 0080 HIS NE2
H A 0072 GLU OE2 11.99 H A 0080 HIS NE2
H A 0073 GLU OE1 8.635 H A 0074 LYS NZ
H A 0073 GLU OE2 9.354 H A 0074 LYS NZ
H A 0073 GLU OE1 11.32 H A 0075 ARG NH2
H A 0073 GLU OE2 11.45 H A 0075 ARG NH2
H A 0073 GLU OE1 9.104 H A 0080 HIS ND1
H A 0073 GLU OE1 10.01 H A 0080 HIS NE2
H A 0073 GLU OE2 7.091 H A 0080 HIS ND1
H A 0073 GLU OE2 8.155 H A 0080 HIS NE2
H A 0079 ASP OD1 11.04 C A 0027 ARG NH1
H A 0079 ASP OD1 8.150 H A 0075 ARG NH1
H A 0079 ASP OD1 9.785 H A 0075 ARG NH2
H A 0079 ASP OD2 7.552 H A 0075 ARG NH1
H A 0079 ASP OD2 8.757 H A 0075 ARG NH2
H A 0079 ASP OD1 7.436 H A 0080 HIS ND1
H A 0079 ASP OD1 7.037 H A 0080 HIS NE2
H A 0079 ASP OD2 6.115 H A 0080 HIS ND1
H A 0079 ASP OD2 5.382 H A 0080 HIS NE2
CHARGE_REPU 2.00 12.00 48
C A 0016 ASP OD1 9.533 C A 0018 ASP OD1
C A 0016 ASP OD1 11.44 C A 0018 ASP OD2
C A 0016 ASP OD2 9.536 C A 0018 ASP OD1
C A 0016 ASP OD2 11.20 C A 0018 ASP OD2
H A 0021 ARG NH1 10.23 C A 0027 ARG NH1
H A 0021 ARG NH1 10.82 C A 0027 ARG NH2
H A 0021 ARG NH2 10.66 C A 0027 ARG NH1
H A 0021 ARG NH2 11.30 C A 0027 ARG NH2
H A 0021 ARG NH1 11.73 H A 0058 ARG NH2
H A 0035 LYS NZ 10.89 H A 0036 LYS NZ
H A 0035 LYS NZ 6.077 H A 0039 LYS NZ
H A 0036 LYS NZ 5.656 H A 0040 LYS NZ
H A 0039 LYS NZ 6.934 H A 0043 ARG NH1
H A 0039 LYS NZ 8.896 H A 0043 ARG NH2
H A 0039 LYS NZ 11.21 C A 0046 HIS ND1
H A 0039 LYS NZ 10.17 C A 0046 HIS NE2
H A 0040 LYS NZ 11.92 H A 0043 ARG NH2
H A 0043 ARG NH1 6.392 C A 0046 HIS ND1
H A 0043 ARG NH1 6.717 C A 0046 HIS NE2
H A 0043 ARG NH2 7.139 C A 0046 HIS ND1
H A 0043 ARG NH2 8.057 C A 0046 HIS NE2
H A 0043 ARG NH2 11.59 C A 0049 LYS NZ
H A 0044 GLU OE2 11.59 C A 0048 ASP OD1
C A 0046 HIS ND1 10.39 C A 0049 LYS NZ
C A 0048 ASP OD1 11.50 H A 0056 GLU OE1
C A 0048 ASP OD1 9.416 H A 0056 GLU OE2
C A 0048 ASP OD2 11.10 H A 0056 GLU OE1
C A 0048 ASP OD2 9.024 H A 0056 GLU OE2
C A 0049 LYS NZ 9.901 C A 0051 LYS NZ
C A 0052 ASP OD1 9.769 H A 0056 GLU OE1
C A 0052 ASP OD1 9.884 H A 0056 GLU OE2
C A 0052 ASP OD2 9.975 H A 0056 GLU OE1
C A 0052 ASP OD2 10.55 H A 0056 GLU OE2
H A 0056 GLU OE1 9.582 H A 0057 ASP OD1
H A 0056 GLU OE1 9.275 H A 0057 ASP OD2
H A 0056 GLU OE2 10.45 H A 0057 ASP OD1
H A 0056 GLU OE2 10.53 H A 0057 ASP OD2
H A 0064 LYS NZ 9.331 H A 0074 LYS NZ
H A 0072 GLU OE1 6.295 H A 0073 GLU OE1
H A 0072 GLU OE1 7.435 H A 0073 GLU OE2
H A 0072 GLU OE2 8.309 H A 0073 GLU OE1
H A 0072 GLU OE2 9.273 H A 0073 GLU OE2
H A 0072 GLU OE2 11.82 H A 0079 ASP OD2
H A 0073 GLU OE2 11.42 H A 0079 ASP OD2
H A 0075 ARG NH1 11.11 H A 0080 HIS ND1
H A 0075 ARG NH1 11.03 H A 0080 HIS NE2
H A 0075 ARG NH2 11.54 H A 0080 HIS ND1
H A 0075 ARG NH2 11.37 H A 0080 HIS NE2
HB_MM 2.00 3.20 161
C A 0002 SER N 2.251 C A 0001 GLY O
C A 0003 SER N 3.086 C A 0001 GLY O
C A 0003 SER N 2.251 C A 0002 SER O
C A 0004 GLY N 2.250 C A 0003 SER O
C A 0005 SER N 2.250 C A 0004 GLY O
C A 0006 SER N 2.251 C A 0005 SER O
C A 0007 GLY N 2.250 C A 0006 SER O
C A 0008 ILE N 2.251 C A 0007 GLY O
C A 0009 LEU N 3.038 C A 0007 GLY O
C A 0009 LEU N 2.250 C A 0008 ILE O
C A 0010 GLN N 2.251 C A 0009 LEU O
C A 0011 SER N 2.250 C A 0010 GLN O
C A 0012 LEU N 2.250 C A 0011 SER O
C A 0013 SER N 2.251 C A 0012 LEU O
C A 0014 ALA N 2.249 C A 0013 SER O
C A 0015 LEU N 2.250 C A 0014 ALA O
C A 0016 ASP N 2.250 C A 0015 LEU O
C A 0017 PHE N 2.820 C A 0015 LEU O
C A 0017 PHE N 2.249 C A 0016 ASP O
C A 0018 ASP N 2.249 C A 0017 PHE O
H A 0019 PRO N 2.253 C A 0018 ASP O
H A 0020 TYR N 2.250 H A 0019 PRO O
H A 0021 ARG N 2.250 H A 0020 TYR O
H A 0022 VAL N 3.153 C A 0018 ASP O
H A 0022 VAL N 3.030 H A 0019 PRO O
H A 0022 VAL N 2.250 H A 0021 ARG O
H A 0023 LEU N 2.921 H A 0019 PRO O
H A 0023 LEU N 2.250 H A 0022 VAL O
C A 0024 GLY N 2.805 H A 0020 TYR O
C A 0024 GLY N 2.250 H A 0023 LEU O
C A 0025 VAL N 2.853 H A 0020 TYR O
C A 0025 VAL N 2.249 C A 0024 GLY O
C A 0026 SER N 2.250 C A 0025 VAL O
C A 0027 ARG N 2.251 C A 0026 SER O
C A 0028 THR N 3.080 C A 0026 SER O
C A 0028 THR N 2.251 C A 0027 ARG O
C A 0029 ALA N 2.740 C A 0026 SER O
C A 0029 ALA N 3.007 C A 0027 ARG O
C A 0029 ALA N 2.249 C A 0028 THR O
C A 0030 SER N 2.250 C A 0029 ALA O
H A 0031 GLN N 2.250 C A 0030 SER O
H A 0032 ALA N 2.493 C A 0030 SER O
H A 0032 ALA N 2.249 H A 0031 GLN O
H A 0033 ASP N 2.680 C A 0030 SER O
H A 0033 ASP N 2.250 H A 0032 ALA O
H A 0034 ILE N 2.850 C A 0030 SER O
H A 0034 ILE N 2.251 H A 0033 ASP O
H A 0035 LYS N 2.854 H A 0031 GLN O
H A 0035 LYS N 2.249 H A 0034 ILE O
H A 0036 LYS N 2.973 H A 0032 ALA O
H A 0036 LYS N 2.249 H A 0035 LYS O
H A 0037 ALA N 2.919 H A 0033 ASP O
H A 0037 ALA N 3.165 H A 0034 ILE O
H A 0037 ALA N 3.157 H A 0035 LYS O
H A 0037 ALA N 2.249 H A 0036 LYS O
H A 0038 TYR N 2.728 H A 0034 ILE O
H A 0038 TYR N 2.851 H A 0035 LYS O
H A 0038 TYR N 2.250 H A 0037 ALA O
H A 0039 LYS N 2.992 H A 0035 LYS O
H A 0039 LYS N 2.249 H A 0038 TYR O
H A 0040 LYS N 2.933 H A 0036 LYS O
H A 0040 LYS N 3.189 H A 0038 TYR O
H A 0040 LYS N 2.250 H A 0039 LYS O
H A 0041 LEU N 3.031 H A 0037 ALA O
H A 0041 LEU N 2.952 H A 0038 TYR O
H A 0041 LEU N 2.250 H A 0040 LYS O
H A 0042 ALA N 2.740 H A 0038 TYR O
H A 0042 ALA N 2.250 H A 0041 LEU O
H A 0043 ARG N 2.708 H A 0039 LYS O
H A 0043 ARG N 2.251 H A 0042 ALA O
H A 0044 GLU N 2.951 H A 0040 LYS O
H A 0044 GLU N 2.251 H A 0043 ARG O
C A 0045 TRP N 2.729 H A 0041 LEU O
C A 0045 TRP N 2.249 H A 0044 GLU O
C A 0046 HIS N 2.918 H A 0042 ALA O
C A 0046 HIS N 3.173 H A 0044 GLU O
C A 0046 HIS N 2.251 C A 0045 TRP O
C A 0047 PRO N 2.253 C A 0046 HIS O
C A 0048 ASP N 2.250 C A 0047 PRO O
C A 0049 LYS N 2.249 C A 0048 ASP O
C A 0050 ASN N 3.082 C A 0046 HIS O
C A 0050 ASN N 2.249 C A 0049 LYS O
C A 0051 LYS N 2.249 C A 0050 ASN O
C A 0052 ASP N 2.249 C A 0051 LYS O
C A 0053 PRO N 2.253 C A 0052 ASP O
C A 0054 GLY N 2.250 C A 0053 PRO O
H A 0055 ALA N 2.249 C A 0054 GLY O
H A 0056 GLU N 3.076 C A 0054 GLY O
H A 0056 GLU N 2.251 H A 0055 ALA O
H A 0057 ASP N 2.916 C A 0054 GLY O
H A 0057 ASP N 3.175 H A 0055 ALA O
H A 0057 ASP N 2.249 H A 0056 GLU O
H A 0058 ARG N 2.952 H A 0055 ALA O
H A 0058 ARG N 2.987 H A 0056 GLU O
H A 0058 ARG N 2.250 H A 0057 ASP O
H A 0059 PHE N 3.183 H A 0055 ALA O
H A 0059 PHE N 2.723 H A 0056 GLU O
H A 0059 PHE N 2.251 H A 0058 ARG O
H A 0060 ILE N 2.840 H A 0056 GLU O
H A 0060 ILE N 3.175 H A 0057 ASP O
H A 0060 ILE N 2.250 H A 0059 PHE O
H A 0061 GLN N 3.103 H A 0057 ASP O
H A 0061 GLN N 2.982 H A 0058 ARG O
H A 0061 GLN N 2.919 H A 0059 PHE O
H A 0061 GLN N 2.250 H A 0060 ILE O
H A 0062 ILE N 2.777 H A 0058 ARG O
H A 0062 ILE N 2.978 H A 0059 PHE O
H A 0062 ILE N 2.250 H A 0061 GLN O
H A 0063 SER N 2.956 H A 0059 PHE O
H A 0063 SER N 2.914 H A 0061 GLN O
H A 0063 SER N 2.250 H A 0062 ILE O
H A 0064 LYS N 2.627 H A 0061 GLN O
H A 0064 LYS N 2.250 H A 0063 SER O
H A 0065 ALA N 2.810 H A 0061 GLN O
H A 0065 ALA N 2.250 H A 0064 LYS O
H A 0066 TYR N 2.250 H A 0065 ALA O
H A 0067 GLU N 2.870 H A 0063 SER O
H A 0067 GLU N 3.086 H A 0064 LYS O
H A 0067 GLU N 2.250 H A 0066 TYR O
H A 0068 ILE N 2.754 H A 0066 TYR O
H A 0068 ILE N 2.251 H A 0067 GLU O
H A 0069 LEU N 2.915 H A 0066 TYR O
H A 0069 LEU N 2.250 H A 0068 ILE O
H A 0070 SER N 2.554 H A 0066 TYR O
H A 0070 SER N 2.251 H A 0069 LEU O
C A 0071 ASN N 2.784 H A 0069 LEU O
C A 0071 ASN N 2.250 H A 0070 SER O
H A 0072 GLU N 2.251 C A 0071 ASN O
H A 0073 GLU N 2.250 H A 0072 GLU O
H A 0074 LYS N 2.249 H A 0073 GLU O
H A 0075 ARG N 3.007 H A 0068 ILE O
H A 0075 ARG N 2.830 C A 0071 ASN O
H A 0075 ARG N 2.250 H A 0074 LYS O
H A 0076 THR N 2.883 H A 0072 GLU O
H A 0076 THR N 2.251 H A 0075 ARG O
H A 0077 ASN N 3.078 H A 0073 GLU O
H A 0077 ASN N 2.249 H A 0076 THR O
H A 0078 TYR N 3.116 H A 0075 ARG O
H A 0078 TYR N 3.025 H A 0076 THR O
H A 0078 TYR N 2.250 H A 0077 ASN O
H A 0079 ASP N 2.765 H A 0076 THR O
H A 0079 ASP N 2.250 H A 0078 TYR O
H A 0080 HIS N 2.962 H A 0076 THR O
H A 0080 HIS N 2.976 H A 0077 ASN O
H A 0080 HIS N 2.251 H A 0079 ASP O
H A 0081 TYR N 3.096 H A 0077 ASN O
H A 0081 TYR N 2.949 H A 0078 TYR O
H A 0081 TYR N 3.095 H A 0079 ASP O
H A 0081 TYR N 2.249 H A 0080 HIS O
C A 0082 GLY N 2.939 H A 0078 TYR O
C A 0082 GLY N 2.621 H A 0079 ASP O
C A 0082 GLY N 2.250 H A 0081 TYR O
C A 0083 SER N 3.173 H A 0081 TYR O
C A 0083 SER N 2.250 C A 0082 GLY O
C A 0084 GLY N 2.997 H A 0081 TYR O
C A 0084 GLY N 2.250 C A 0083 SER O
C A 0085 PRO N 2.252 C A 0084 GLY O
C A 0086 SER N 2.251 C A 0085 PRO O
C A 0087 SER N 2.250 C A 0086 SER O
C A 0088 GLY N 3.193 C A 0086 SER O
C A 0088 GLY N 2.249 C A 0087 SER O
HB_MS 2.00 3.20 6
C A 0004 GLY O 2.714 C A 0005 SER OG
C A 0012 LEU N 3.121 C A 0011 SER OG
C A 0045 TRP O 3.082 C A 0050 ASN ND2
H A 0072 GLU O 2.941 H A 0076 THR OG1
H A 0073 GLU O 3.051 H A 0077 ASN ND2
C A 0087 SER N 3.114 C A 0086 SER OG
AROMATIC 0.00 8.00 3
H A 0021 ARG 7.885 H A 0020 TYR
H A 0039 LYS 6.779 H A 0038 TYR
C A 0046 HIS 5.214 H A 0059 PHE