Complet list of 2gut con file
Complete list of 2gut.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 322
C A 0002 GLY CA 3.796 C A 0003 ALA CA
C A 0002 GLY C 2.434 C A 0003 ALA CA
C A 0002 GLY C 3.699 C A 0003 ALA C
C A 0002 GLY C 3.108 C A 0003 ALA CB
C A 0003 ALA C 2.434 C A 0004 MET CA
C A 0003 ALA C 3.678 C A 0004 MET C
C A 0003 ALA C 3.182 C A 0004 MET CB
C A 0003 ALA C 3.766 C A 0004 MET CG
C A 0004 MET CA 3.792 C A 0005 GLY CA
C A 0004 MET C 2.418 C A 0005 GLY CA
C A 0004 MET C 3.363 C A 0005 GLY C
C A 0005 GLY CA 3.795 C A 0006 GLN CA
C A 0005 GLY C 2.433 C A 0006 GLN CA
C A 0005 GLY C 3.033 C A 0006 GLN C
C A 0005 GLY C 3.712 C A 0006 GLN CB
C A 0006 GLN C 2.433 C A 0007 GLU CA
C A 0006 GLN C 3.694 C A 0007 GLU C
C A 0006 GLN C 3.137 C A 0007 GLU CB
C A 0007 GLU C 2.434 C A 0008 THR CA
C A 0007 GLU C 3.529 C A 0008 THR C
C A 0007 GLU C 3.464 C A 0008 THR CB
C A 0008 THR C 2.434 C A 0009 ASP CA
C A 0008 THR C 3.663 C A 0009 ASP C
C A 0008 THR C 3.221 C A 0009 ASP CB
C A 0008 THR C 3.001 C A 0009 ASP CG
C A 0009 ASP C 2.433 C A 0010 TRP CA
C A 0009 ASP C 3.104 C A 0010 TRP C
C A 0009 ASP C 3.699 C A 0010 TRP CB
C A 0010 TRP C 2.434 C A 0011 ARG CA
C A 0010 TRP C 3.207 C A 0011 ARG C
C A 0010 TRP C 3.669 C A 0011 ARG CB
C A 0010 TRP CA 3.784 H A 0015 PHE CG
C A 0010 TRP CA 3.667 H A 0015 PHE CD2
C A 0010 TRP CD2 3.792 H A 0046 PHE CZ
C A 0010 TRP CE3 3.282 H A 0046 PHE CE2
C A 0010 TRP CE3 3.593 H A 0046 PHE CZ
C A 0010 TRP CZ2 3.689 H A 0046 PHE CE1
C A 0010 TRP CZ2 3.701 H A 0046 PHE CZ
C A 0010 TRP CZ3 3.706 H A 0046 PHE CG
C A 0010 TRP CZ3 3.341 H A 0046 PHE CD2
C A 0010 TRP CZ3 3.775 H A 0046 PHE CE1
C A 0010 TRP CZ3 3.190 H A 0046 PHE CE2
C A 0010 TRP CZ3 3.425 H A 0046 PHE CZ
C A 0010 TRP CH2 3.616 H A 0046 PHE CD1
C A 0010 TRP CH2 3.406 H A 0046 PHE CE1
C A 0010 TRP CH2 3.757 H A 0046 PHE CE2
C A 0010 TRP CH2 3.483 H A 0046 PHE CZ
C A 0010 TRP CB 3.360 H A 0052 ARG CB
C A 0010 TRP CG 3.587 H A 0052 ARG CA
C A 0010 TRP CG 3.414 H A 0052 ARG CB
C A 0010 TRP CD2 3.519 H A 0052 ARG CA
C A 0010 TRP CE3 3.798 H A 0052 ARG CA
C A 0010 TRP CZ3 3.271 H A 0055 TYR CB
C A 0010 TRP CZ3 3.726 H A 0055 TYR CG
C A 0011 ARG C 2.434 H A 0012 SER CA
C A 0011 ARG C 3.127 H A 0012 SER C
C A 0011 ARG C 3.695 H A 0012 SER CB
C A 0011 ARG CG 3.533 H A 0046 PHE CZ
H A 0012 SER C 2.434 H A 0013 THR CA
H A 0012 SER C 2.982 H A 0013 THR C
H A 0012 SER C 3.737 H A 0013 THR CB
H A 0013 THR C 2.434 H A 0014 ALA CA
H A 0013 THR C 2.948 H A 0014 ALA C
H A 0013 THR C 3.706 H A 0014 ALA CB
H A 0014 ALA C 2.434 H A 0015 PHE CA
H A 0014 ALA C 3.030 H A 0015 PHE C
H A 0014 ALA C 3.712 H A 0015 PHE CB
H A 0015 PHE C 2.433 H A 0016 ARG CA
H A 0015 PHE C 2.953 H A 0016 ARG C
H A 0015 PHE C 3.714 H A 0016 ARG CB
H A 0016 ARG C 2.434 H A 0017 GLN CA
H A 0016 ARG C 2.966 H A 0017 GLN C
H A 0016 ARG C 3.715 H A 0017 GLN CB
H A 0017 GLN C 2.434 H A 0018 LYS CA
H A 0017 GLN C 2.930 H A 0018 LYS C
H A 0017 GLN C 3.712 H A 0018 LYS CB
H A 0017 GLN CD 3.776 H A 0018 LYS CA
H A 0018 LYS C 2.434 H A 0019 LEU CA
H A 0018 LYS C 2.994 H A 0019 LEU C
H A 0018 LYS C 3.715 H A 0019 LEU CB
H A 0019 LEU C 2.434 H A 0020 VAL CA
H A 0019 LEU C 2.982 H A 0020 VAL C
H A 0019 LEU C 3.736 H A 0020 VAL CB
H A 0019 LEU C 3.717 H A 0023 ILE CD1
H A 0019 LEU CG 3.611 H A 0055 TYR CE2
H A 0019 LEU CD1 3.466 H A 0055 TYR CE2
H A 0020 VAL C 2.434 H A 0021 SER CA
H A 0020 VAL C 3.040 H A 0021 SER C
H A 0020 VAL C 3.712 H A 0021 SER CB
H A 0020 VAL CA 3.727 H A 0042 GLU CG
H A 0020 VAL CA 3.540 H A 0042 GLU CD
H A 0020 VAL CB 3.761 H A 0042 GLU CD
H A 0020 VAL CG1 3.564 H A 0042 GLU CD
H A 0020 VAL CG2 3.603 H A 0042 GLU CB
H A 0020 VAL CG2 3.652 H A 0042 GLU CG
H A 0020 VAL CG2 3.658 H A 0042 GLU CD
H A 0021 SER C 2.433 H A 0022 GLN CA
H A 0021 SER C 2.991 H A 0022 GLN C
H A 0021 SER C 3.715 H A 0022 GLN CB
H A 0022 GLN C 2.433 H A 0023 ILE CA
H A 0022 GLN C 3.011 H A 0023 ILE C
H A 0022 GLN C 3.735 H A 0023 ILE CB
H A 0023 ILE C 2.434 H A 0024 GLU CA
H A 0023 ILE C 3.104 H A 0024 GLU C
H A 0023 ILE C 3.702 H A 0024 GLU CB
H A 0023 ILE CD1 3.161 H A 0042 GLU CG
H A 0023 ILE CG1 3.608 H A 0059 VAL CG1
H A 0023 ILE CD1 3.410 H A 0059 VAL CG1
H A 0023 ILE CG2 3.319 H A 0062 LEU CD2
H A 0024 GLU C 2.434 H A 0025 ASP CA
H A 0024 GLU C 3.095 H A 0025 ASP C
H A 0024 GLU C 3.702 H A 0025 ASP CB
H A 0024 GLU CG 3.199 H A 0038 SER CB
H A 0025 ASP C 2.433 H A 0026 ALA CA
H A 0025 ASP C 3.001 H A 0026 ALA C
H A 0025 ASP C 3.706 H A 0026 ALA CB
H A 0026 ALA C 2.434 H A 0027 MET CA
H A 0026 ALA C 3.009 H A 0027 MET C
H A 0026 ALA C 3.715 H A 0027 MET CB
H A 0026 ALA CB 3.688 H A 0063 ILE CG2
H A 0027 MET C 2.434 H A 0028 ARG CA
H A 0027 MET C 2.933 H A 0028 ARG C
H A 0027 MET C 3.712 H A 0028 ARG CB
H A 0027 MET CA 3.740 H A 0030 ALA CB
H A 0027 MET C 3.764 H A 0030 ALA CB
H A 0027 MET CG 3.410 C A 0032 VAL CG2
H A 0027 MET CE 3.707 H A 0038 SER CA
H A 0027 MET CE 3.742 H A 0038 SER CB
H A 0027 MET CE 3.485 H A 0041 MET CE
H A 0027 MET CG 3.352 H A 0066 PHE CE1
H A 0027 MET CG 3.609 H A 0066 PHE CE2
H A 0027 MET CG 3.195 H A 0066 PHE CZ
H A 0028 ARG C 2.435 H A 0029 LYS CA
H A 0028 ARG C 3.083 H A 0029 LYS C
H A 0028 ARG C 3.705 H A 0029 LYS CB
H A 0029 LYS C 2.434 H A 0030 ALA CA
H A 0029 LYS C 3.087 H A 0030 ALA C
H A 0029 LYS C 3.695 H A 0030 ALA CB
H A 0030 ALA CA 3.791 H A 0031 GLY CA
H A 0030 ALA C 2.418 H A 0031 GLY CA
H A 0030 ALA C 3.036 H A 0031 GLY C
H A 0030 ALA CB 3.633 H A 0066 PHE CB
H A 0030 ALA CB 3.593 H A 0066 PHE CD1
H A 0030 ALA CA 3.579 H A 0070 HIS CB
H A 0031 GLY CA 3.797 C A 0032 VAL CA
H A 0031 GLY C 2.434 C A 0032 VAL CA
H A 0031 GLY C 3.600 C A 0032 VAL C
H A 0031 GLY C 3.368 C A 0032 VAL CB
H A 0031 GLY C 3.343 C A 0032 VAL CG1
C A 0032 VAL C 2.433 C A 0033 ALA CA
C A 0032 VAL C 3.719 C A 0033 ALA C
C A 0032 VAL C 2.974 C A 0033 ALA CB
C A 0032 VAL CG1 3.799 H A 0066 PHE CD1
C A 0032 VAL CG1 3.606 H A 0066 PHE CE1
C A 0032 VAL CG2 3.357 H A 0066 PHE CE1
C A 0033 ALA C 2.435 C A 0034 HIS CA
C A 0033 ALA C 3.718 C A 0034 HIS C
C A 0033 ALA C 2.984 C A 0034 HIS CB
C A 0034 HIS C 2.435 C A 0035 SER CA
C A 0034 HIS C 3.000 C A 0035 SER C
C A 0034 HIS C 3.715 C A 0035 SER CB
C A 0035 SER C 2.434 C A 0036 LYS CA
C A 0035 SER C 3.053 C A 0036 LYS C
C A 0035 SER C 3.710 C A 0036 LYS CB
C A 0035 SER CB 3.566 H A 0041 MET CE
C A 0036 LYS C 2.435 H A 0037 SER CA
C A 0036 LYS C 3.716 H A 0037 SER C
C A 0036 LYS C 3.020 H A 0037 SER CB
C A 0036 LYS CB 3.784 H A 0040 ASP CB
C A 0036 LYS CD 3.183 H A 0040 ASP CG
H A 0037 SER C 2.434 H A 0038 SER CA
H A 0037 SER C 2.930 H A 0038 SER C
H A 0037 SER C 3.713 H A 0038 SER CB
H A 0038 SER C 2.435 H A 0039 LYS CA
H A 0038 SER C 2.911 H A 0039 LYS C
H A 0038 SER C 3.709 H A 0039 LYS CB
H A 0038 SER C 3.264 H A 0042 GLU CD
H A 0039 LYS C 2.433 H A 0040 ASP CA
H A 0039 LYS C 3.105 H A 0040 ASP C
H A 0039 LYS C 3.699 H A 0040 ASP CB
H A 0040 ASP C 2.434 H A 0041 MET CA
H A 0040 ASP C 3.043 H A 0041 MET C
H A 0040 ASP C 3.711 H A 0041 MET CB
H A 0041 MET C 2.433 H A 0042 GLU CA
H A 0041 MET C 3.041 H A 0042 GLU C
H A 0041 MET C 3.712 H A 0042 GLU CB
H A 0042 GLU C 2.434 H A 0043 SER CA
H A 0042 GLU C 2.972 H A 0043 SER C
H A 0042 GLU C 3.715 H A 0043 SER CB
H A 0043 SER C 2.434 H A 0044 HIS CA
H A 0043 SER C 3.029 H A 0044 HIS C
H A 0043 SER C 3.712 H A 0044 HIS CB
H A 0044 HIS C 2.434 H A 0045 VAL CA
H A 0044 HIS C 2.962 H A 0045 VAL C
H A 0044 HIS C 3.737 H A 0045 VAL CB
H A 0045 VAL C 2.434 H A 0046 PHE CA
H A 0045 VAL C 3.002 H A 0046 PHE C
H A 0045 VAL C 3.715 H A 0046 PHE CB
H A 0045 VAL CG1 3.414 H A 0055 TYR CD1
H A 0045 VAL CG1 3.632 H A 0058 LEU CB
H A 0046 PHE C 2.435 H A 0047 LEU CA
H A 0046 PHE C 2.976 H A 0047 LEU C
H A 0046 PHE C 3.714 H A 0047 LEU CB
H A 0047 LEU C 2.434 H A 0048 LYS CA
H A 0047 LEU C 3.209 H A 0048 LYS C
H A 0047 LEU C 3.669 H A 0048 LYS CB
H A 0048 LYS C 2.433 H A 0049 ALA CA
H A 0048 LYS C 3.201 H A 0049 ALA C
H A 0048 LYS C 3.662 H A 0049 ALA CB
H A 0049 ALA C 2.435 C A 0050 LYS CA
H A 0049 ALA C 3.386 C A 0050 LYS C
H A 0049 ALA C 3.570 C A 0050 LYS CB
H A 0049 ALA CA 3.537 H A 0054 GLU CG
H A 0049 ALA CA 3.604 H A 0054 GLU CD
H A 0049 ALA CB 3.559 H A 0054 GLU CB
H A 0049 ALA CB 3.723 H A 0054 GLU CG
H A 0049 ALA CB 3.617 H A 0055 TYR CA
H A 0049 ALA CB 3.636 H A 0055 TYR CB
C A 0050 LYS C 2.434 H A 0051 THR CA
C A 0050 LYS C 3.661 H A 0051 THR C
C A 0050 LYS C 3.261 H A 0051 THR CB
C A 0050 LYS C 3.102 H A 0051 THR CG2
H A 0051 THR C 2.433 H A 0052 ARG CA
H A 0051 THR C 2.960 H A 0052 ARG C
H A 0051 THR C 3.714 H A 0052 ARG CB
H A 0052 ARG C 2.434 H A 0053 ASP CA
H A 0052 ARG C 3.120 H A 0053 ASP C
H A 0052 ARG C 3.696 H A 0053 ASP CB
H A 0053 ASP C 2.434 H A 0054 GLU CA
H A 0053 ASP C 2.933 H A 0054 GLU C
H A 0053 ASP C 3.714 H A 0054 GLU CB
H A 0054 GLU C 2.434 H A 0055 TYR CA
H A 0054 GLU C 3.028 H A 0055 TYR C
H A 0054 GLU C 3.713 H A 0055 TYR CB
H A 0055 TYR C 2.434 H A 0056 LEU CA
H A 0055 TYR C 2.926 H A 0056 LEU C
H A 0055 TYR C 3.711 H A 0056 LEU CB
H A 0055 TYR C 3.657 H A 0059 VAL CG2
H A 0055 TYR CG 3.710 H A 0059 VAL CG2
H A 0055 TYR CD1 3.460 H A 0059 VAL CG2
H A 0055 TYR CD2 3.695 H A 0059 VAL CG2
H A 0055 TYR CE1 3.210 H A 0059 VAL CG2
H A 0055 TYR CE2 3.464 H A 0059 VAL CG2
H A 0055 TYR CZ 3.210 H A 0059 VAL CG2
H A 0056 LEU C 2.434 H A 0057 SER CA
H A 0056 LEU C 3.116 H A 0057 SER C
H A 0056 LEU C 3.698 H A 0057 SER CB
H A 0057 SER C 2.434 H A 0058 LEU CA
H A 0057 SER C 2.994 H A 0058 LEU C
H A 0057 SER C 3.714 H A 0058 LEU CB
H A 0058 LEU C 2.435 H A 0059 VAL CA
H A 0058 LEU C 3.031 H A 0059 VAL C
H A 0058 LEU C 3.735 H A 0059 VAL CB
H A 0059 VAL C 2.434 H A 0060 ALA CA
H A 0059 VAL C 2.921 H A 0060 ALA C
H A 0059 VAL C 3.704 H A 0060 ALA CB
H A 0060 ALA C 2.433 H A 0061 ARG CA
H A 0060 ALA C 2.923 H A 0061 ARG C
H A 0060 ALA C 3.711 H A 0061 ARG CB
H A 0060 ALA C 3.271 H A 0064 ILE CD1
H A 0061 ARG C 2.434 H A 0062 LEU CA
H A 0061 ARG C 2.995 H A 0062 LEU C
H A 0061 ARG C 3.714 H A 0062 LEU CB
H A 0062 LEU C 2.432 H A 0063 ILE CA
H A 0062 LEU C 2.989 H A 0063 ILE C
H A 0062 LEU C 3.736 H A 0063 ILE CB
H A 0062 LEU C 3.757 H A 0066 PHE CD2
H A 0062 LEU CG 3.455 H A 0066 PHE CE2
H A 0062 LEU CD2 3.724 H A 0066 PHE CD2
H A 0062 LEU CD2 3.456 H A 0066 PHE CE2
H A 0063 ILE C 2.433 H A 0064 ILE CA
H A 0063 ILE C 2.973 H A 0064 ILE C
H A 0063 ILE C 3.736 H A 0064 ILE CB
H A 0063 ILE CG2 3.569 H A 0067 ARG CD
H A 0064 ILE C 2.434 H A 0065 HIS CA
H A 0064 ILE C 2.971 H A 0065 HIS C
H A 0064 ILE C 3.715 H A 0065 HIS CB
H A 0065 HIS C 2.433 H A 0066 PHE CA
H A 0065 HIS C 3.059 H A 0066 PHE C
H A 0065 HIS C 3.709 H A 0066 PHE CB
H A 0065 HIS C 3.600 H A 0069 ILE CD1
H A 0066 PHE C 2.433 H A 0067 ARG CA
H A 0066 PHE C 3.001 H A 0067 ARG C
H A 0066 PHE C 3.713 H A 0067 ARG CB
H A 0066 PHE CA 3.769 H A 0069 ILE CD1
H A 0067 ARG C 2.434 H A 0068 ASP CA
H A 0067 ARG C 3.084 H A 0068 ASP C
H A 0067 ARG C 3.704 H A 0068 ASP CB
H A 0068 ASP C 2.433 H A 0069 ILE CA
H A 0068 ASP C 2.935 H A 0069 ILE C
H A 0068 ASP C 3.734 H A 0069 ILE CB
H A 0068 ASP CA 3.757 H A 0071 ASN CB
H A 0068 ASP C 3.794 H A 0071 ASN CB
H A 0069 ILE C 2.435 H A 0070 HIS CA
H A 0069 ILE C 3.153 H A 0070 HIS C
H A 0069 ILE C 3.689 H A 0070 HIS CB
H A 0069 ILE CA 3.797 C A 0076 ALA CB
H A 0069 ILE CD1 3.737 C A 0078 VAL CG1
H A 0070 HIS C 2.434 H A 0071 ASN CA
H A 0070 HIS C 3.036 H A 0071 ASN C
H A 0070 HIS C 3.711 H A 0071 ASN CB
H A 0071 ASN C 2.435 H A 0072 LYS CA
H A 0071 ASN C 3.024 H A 0072 LYS C
H A 0071 ASN C 2.980 H A 0072 LYS CB
H A 0072 LYS C 2.434 C A 0073 LYS CA
H A 0072 LYS C 3.010 C A 0073 LYS C
H A 0072 LYS C 2.992 C A 0073 LYS CB
C A 0073 LYS C 2.434 C A 0074 SER CA
C A 0073 LYS C 3.642 C A 0074 SER C
C A 0073 LYS C 3.268 C A 0074 SER CB
C A 0074 SER C 2.433 C A 0075 GLN CA
C A 0074 SER C 3.100 C A 0075 GLN C
C A 0074 SER C 3.700 C A 0075 GLN CB
C A 0075 GLN C 2.434 C A 0076 ALA CA
C A 0075 GLN C 3.005 C A 0076 ALA C
C A 0075 GLN C 3.000 C A 0076 ALA CB
C A 0076 ALA C 2.434 C A 0077 SER CA
C A 0076 ALA C 3.567 C A 0077 SER C
C A 0076 ALA C 3.389 C A 0077 SER CB
C A 0077 SER C 2.435 C A 0078 VAL CA
C A 0077 SER C 3.227 C A 0078 VAL C
C A 0077 SER C 3.685 C A 0078 VAL CB
CHARGE_ATTR 2.00 12.00 82
C A 0007 GLU OE1 11.10 H A 0018 LYS NZ
C A 0007 GLU OE2 9.140 H A 0018 LYS NZ
C A 0007 GLU OE1 7.513 H A 0052 ARG NH1
C A 0007 GLU OE1 6.099 H A 0052 ARG NH2
C A 0007 GLU OE2 8.691 H A 0052 ARG NH1
C A 0007 GLU OE2 7.715 H A 0052 ARG NH2
C A 0009 ASP OD1 9.549 C A 0011 ARG NH1
C A 0009 ASP OD1 10.55 C A 0011 ARG NH2
C A 0009 ASP OD2 11.45 C A 0011 ARG NH1
C A 0009 ASP OD1 7.595 H A 0052 ARG NH1
C A 0009 ASP OD1 9.401 H A 0052 ARG NH2
C A 0009 ASP OD2 7.456 H A 0052 ARG NH1
C A 0009 ASP OD2 8.857 H A 0052 ARG NH2
H A 0024 GLU OE1 6.745 H A 0028 ARG NH1
H A 0024 GLU OE1 8.833 H A 0028 ARG NH2
H A 0024 GLU OE2 6.030 H A 0028 ARG NH1
H A 0024 GLU OE2 8.196 H A 0028 ARG NH2
H A 0024 GLU OE1 8.090 H A 0039 LYS NZ
H A 0024 GLU OE2 9.310 H A 0039 LYS NZ
H A 0025 ASP OD1 7.413 H A 0028 ARG NH1
H A 0025 ASP OD1 7.876 H A 0028 ARG NH2
H A 0025 ASP OD2 9.595 H A 0028 ARG NH1
H A 0025 ASP OD2 9.932 H A 0028 ARG NH2
H A 0025 ASP OD1 5.776 H A 0029 LYS NZ
H A 0025 ASP OD2 5.976 H A 0029 LYS NZ
H A 0025 ASP OD1 10.48 H A 0067 ARG NH1
H A 0025 ASP OD1 9.016 H A 0067 ARG NH2
H A 0025 ASP OD2 8.718 H A 0067 ARG NH1
H A 0025 ASP OD2 7.060 H A 0067 ARG NH2
H A 0025 ASP OD1 11.96 H A 0070 HIS ND1
H A 0025 ASP OD1 11.48 H A 0070 HIS NE2
H A 0025 ASP OD2 11.48 H A 0070 HIS NE2
H A 0040 ASP OD1 9.550 H A 0016 ARG NH1
H A 0040 ASP OD1 10.25 H A 0016 ARG NH2
H A 0040 ASP OD2 9.979 H A 0016 ARG NH1
H A 0040 ASP OD2 10.19 H A 0016 ARG NH2
H A 0040 ASP OD1 3.893 C A 0036 LYS NZ
H A 0040 ASP OD2 4.551 C A 0036 LYS NZ
H A 0040 ASP OD1 10.55 H A 0039 LYS NZ
H A 0040 ASP OD2 9.399 H A 0039 LYS NZ
H A 0040 ASP OD1 8.388 H A 0044 HIS ND1
H A 0040 ASP OD1 9.108 H A 0044 HIS NE2
H A 0040 ASP OD2 10.18 H A 0044 HIS ND1
H A 0040 ASP OD2 11.12 H A 0044 HIS NE2
H A 0042 GLU OE1 7.395 H A 0016 ARG NH1
H A 0042 GLU OE1 7.032 H A 0016 ARG NH2
H A 0042 GLU OE2 9.426 H A 0016 ARG NH1
H A 0042 GLU OE2 9.173 H A 0016 ARG NH2
H A 0042 GLU OE1 6.488 H A 0039 LYS NZ
H A 0042 GLU OE2 8.317 H A 0039 LYS NZ
H A 0042 GLU OE1 11.07 H A 0044 HIS ND1
H A 0042 GLU OE2 11.08 H A 0044 HIS ND1
H A 0053 ASP OD1 10.48 C A 0050 LYS NZ
H A 0053 ASP OD2 8.543 C A 0050 LYS NZ
H A 0053 ASP OD1 9.963 H A 0052 ARG NH1
H A 0053 ASP OD1 9.173 H A 0052 ARG NH2
H A 0053 ASP OD2 10.07 H A 0052 ARG NH1
H A 0053 ASP OD2 9.475 H A 0052 ARG NH2
H A 0053 ASP OD1 11.42 H A 0061 ARG NH2
H A 0053 ASP OD2 11.49 H A 0061 ARG NH2
H A 0054 GLU OE2 10.39 H A 0044 HIS ND1
H A 0054 GLU OE2 9.954 H A 0044 HIS NE2
H A 0054 GLU OE1 9.805 H A 0048 LYS NZ
H A 0054 GLU OE2 7.775 H A 0048 LYS NZ
H A 0054 GLU OE1 3.353 C A 0050 LYS NZ
H A 0054 GLU OE2 4.369 C A 0050 LYS NZ
H A 0054 GLU OE2 11.82 H A 0061 ARG NH1
H A 0068 ASP OD1 8.496 H A 0065 HIS ND1
H A 0068 ASP OD1 7.656 H A 0065 HIS NE2
H A 0068 ASP OD2 7.051 H A 0065 HIS ND1
H A 0068 ASP OD2 5.838 H A 0065 HIS NE2
H A 0068 ASP OD1 9.357 H A 0067 ARG NH1
H A 0068 ASP OD1 11.48 H A 0067 ARG NH2
H A 0068 ASP OD2 10.90 H A 0067 ARG NH1
H A 0068 ASP OD1 10.80 H A 0070 HIS ND1
H A 0068 ASP OD1 11.01 H A 0070 HIS NE2
H A 0068 ASP OD2 11.31 H A 0070 HIS ND1
H A 0068 ASP OD2 11.90 H A 0070 HIS NE2
H A 0068 ASP OD1 11.07 H A 0072 LYS NZ
H A 0068 ASP OD2 11.39 H A 0072 LYS NZ
H A 0068 ASP OD1 10.61 C A 0073 LYS NZ
H A 0068 ASP OD2 11.67 C A 0073 LYS NZ
CHARGE_REPU 2.00 12.00 53
C A 0007 GLU OE1 11.64 C A 0009 ASP OD1
C A 0007 GLU OE1 10.05 C A 0009 ASP OD2
C A 0007 GLU OE2 11.39 C A 0009 ASP OD1
C A 0007 GLU OE2 9.587 C A 0009 ASP OD2
C A 0007 GLU OE1 10.29 H A 0053 ASP OD1
C A 0007 GLU OE1 11.74 H A 0053 ASP OD2
C A 0007 GLU OE2 11.65 H A 0053 ASP OD1
C A 0011 ARG NH2 11.29 H A 0016 ARG NH1
C A 0011 ARG NH1 11.47 H A 0052 ARG NH1
H A 0016 ARG NH1 7.276 H A 0039 LYS NZ
H A 0016 ARG NH2 5.315 H A 0039 LYS NZ
H A 0024 GLU OE1 7.053 H A 0025 ASP OD1
H A 0024 GLU OE1 8.650 H A 0025 ASP OD2
H A 0024 GLU OE2 7.538 H A 0025 ASP OD1
H A 0024 GLU OE2 9.263 H A 0025 ASP OD2
H A 0024 GLU OE2 11.72 H A 0040 ASP OD2
H A 0024 GLU OE1 7.450 H A 0042 GLU OE1
H A 0024 GLU OE1 7.036 H A 0042 GLU OE2
H A 0024 GLU OE2 7.982 H A 0042 GLU OE1
H A 0024 GLU OE2 7.265 H A 0042 GLU OE2
H A 0025 ASP OD1 10.72 H A 0042 GLU OE2
H A 0025 ASP OD2 11.10 H A 0042 GLU OE2
H A 0028 ARG NH1 9.277 H A 0029 LYS NZ
H A 0028 ARG NH2 8.244 H A 0029 LYS NZ
H A 0029 LYS NZ 10.23 H A 0067 ARG NH1
H A 0029 LYS NZ 9.698 H A 0067 ARG NH2
H A 0029 LYS NZ 9.312 H A 0070 HIS ND1
H A 0029 LYS NZ 8.004 H A 0070 HIS NE2
C A 0036 LYS NZ 10.03 H A 0044 HIS ND1
C A 0036 LYS NZ 10.32 H A 0044 HIS NE2
H A 0040 ASP OD1 8.954 H A 0042 GLU OE1
H A 0040 ASP OD1 10.00 H A 0042 GLU OE2
H A 0040 ASP OD2 8.558 H A 0042 GLU OE1
H A 0040 ASP OD2 9.610 H A 0042 GLU OE2
H A 0044 HIS ND1 5.434 H A 0048 LYS NZ
H A 0044 HIS NE2 4.962 H A 0048 LYS NZ
H A 0048 LYS NZ 10.90 C A 0050 LYS NZ
H A 0048 LYS NZ 10.31 H A 0061 ARG NH1
H A 0048 LYS NZ 11.88 H A 0061 ARG NH2
H A 0053 ASP OD1 8.015 H A 0054 GLU OE1
H A 0053 ASP OD1 9.466 H A 0054 GLU OE2
H A 0053 ASP OD2 6.461 H A 0054 GLU OE1
H A 0053 ASP OD2 8.211 H A 0054 GLU OE2
H A 0061 ARG NH1 6.680 H A 0065 HIS ND1
H A 0061 ARG NH1 8.191 H A 0065 HIS NE2
H A 0061 ARG NH2 8.268 H A 0065 HIS ND1
H A 0061 ARG NH2 9.690 H A 0065 HIS NE2
H A 0067 ARG NH1 10.98 H A 0070 HIS ND1
H A 0067 ARG NH1 10.14 H A 0070 HIS NE2
H A 0067 ARG NH2 11.23 H A 0070 HIS NE2
H A 0070 HIS ND1 8.772 H A 0072 LYS NZ
H A 0070 HIS NE2 9.032 H A 0072 LYS NZ
H A 0072 LYS NZ 10.05 C A 0073 LYS NZ
HB_MM 2.00 3.20 146
C A 0003 ALA N 2.250 C A 0002 GLY O
C A 0004 MET N 2.250 C A 0003 ALA O
C A 0005 GLY N 2.250 C A 0004 MET O
C A 0006 GLN N 2.251 C A 0005 GLY O
C A 0007 GLU N 2.251 C A 0006 GLN O
C A 0008 THR N 2.250 C A 0007 GLU O
C A 0009 ASP N 2.250 C A 0008 THR O
C A 0010 TRP N 2.250 C A 0009 ASP O
C A 0011 ARG N 3.166 C A 0009 ASP O
C A 0011 ARG N 2.250 C A 0010 TRP O
H A 0012 SER N 2.250 C A 0011 ARG O
H A 0013 THR N 2.251 H A 0012 SER O
H A 0014 ALA N 2.249 H A 0013 THR O
H A 0015 PHE N 3.086 H A 0012 SER O
H A 0015 PHE N 3.113 H A 0013 THR O
H A 0015 PHE N 2.250 H A 0014 ALA O
H A 0016 ARG N 3.189 H A 0012 SER O
H A 0016 ARG N 2.250 H A 0015 PHE O
H A 0017 GLN N 2.664 H A 0013 THR O
H A 0017 GLN N 3.151 H A 0015 PHE O
H A 0017 GLN N 2.251 H A 0016 ARG O
H A 0018 LYS N 3.024 H A 0014 ALA O
H A 0018 LYS N 2.250 H A 0017 GLN O
H A 0019 LEU N 3.080 H A 0015 PHE O
H A 0019 LEU N 2.250 H A 0018 LYS O
H A 0020 VAL N 2.730 H A 0016 ARG O
H A 0020 VAL N 2.930 H A 0017 GLN O
H A 0020 VAL N 2.250 H A 0019 LEU O
H A 0021 SER N 3.079 H A 0017 GLN O
H A 0021 SER N 3.124 H A 0018 LYS O
H A 0021 SER N 2.250 H A 0020 VAL O
H A 0022 GLN N 3.196 H A 0018 LYS O
H A 0022 GLN N 3.095 H A 0019 LEU O
H A 0022 GLN N 2.250 H A 0021 SER O
H A 0023 ILE N 3.116 H A 0019 LEU O
H A 0023 ILE N 2.251 H A 0022 GLN O
H A 0024 GLU N 3.070 H A 0020 VAL O
H A 0024 GLU N 3.174 H A 0021 SER O
H A 0024 GLU N 2.250 H A 0023 ILE O
H A 0025 ASP N 2.790 H A 0021 SER O
H A 0025 ASP N 3.106 H A 0022 GLN O
H A 0025 ASP N 2.249 H A 0024 GLU O
H A 0026 ALA N 2.921 H A 0022 GLN O
H A 0026 ALA N 2.250 H A 0025 ASP O
H A 0027 MET N 3.160 H A 0023 ILE O
H A 0027 MET N 2.250 H A 0026 ALA O
H A 0028 ARG N 3.143 H A 0024 GLU O
H A 0028 ARG N 2.250 H A 0027 MET O
H A 0029 LYS N 2.249 H A 0028 ARG O
H A 0030 ALA N 2.733 H A 0026 ALA O
H A 0030 ALA N 2.937 H A 0027 MET O
H A 0030 ALA N 2.250 H A 0029 LYS O
H A 0031 GLY N 2.921 H A 0027 MET O
H A 0031 GLY N 2.250 H A 0030 ALA O
C A 0032 VAL N 2.250 H A 0031 GLY O
C A 0033 ALA N 2.250 C A 0032 VAL O
C A 0034 HIS N 2.250 C A 0033 ALA O
C A 0035 SER N 2.251 C A 0034 HIS O
C A 0036 LYS N 2.250 C A 0035 SER O
H A 0037 SER N 2.250 C A 0036 LYS O
H A 0038 SER N 2.251 H A 0037 SER O
H A 0039 LYS N 2.249 H A 0038 SER O
H A 0040 ASP N 2.958 H A 0037 SER O
H A 0040 ASP N 3.036 H A 0038 SER O
H A 0040 ASP N 2.249 H A 0039 LYS O
H A 0041 MET N 2.736 H A 0037 SER O
H A 0041 MET N 2.771 H A 0038 SER O
H A 0041 MET N 2.250 H A 0040 ASP O
H A 0042 GLU N 2.764 H A 0038 SER O
H A 0042 GLU N 2.250 H A 0041 MET O
H A 0043 SER N 3.124 H A 0039 LYS O
H A 0043 SER N 2.251 H A 0042 GLU O
H A 0044 HIS N 3.144 H A 0040 ASP O
H A 0044 HIS N 2.250 H A 0043 SER O
H A 0045 VAL N 3.167 H A 0041 MET O
H A 0045 VAL N 3.168 H A 0042 GLU O
H A 0045 VAL N 2.250 H A 0044 HIS O
H A 0046 PHE N 3.054 H A 0042 GLU O
H A 0046 PHE N 2.250 H A 0045 VAL O
H A 0047 LEU N 3.181 H A 0043 SER O
H A 0047 LEU N 2.250 H A 0046 PHE O
H A 0048 LYS N 2.776 H A 0044 HIS O
H A 0048 LYS N 2.965 H A 0046 PHE O
H A 0048 LYS N 2.249 H A 0047 LEU O
H A 0049 ALA N 2.742 H A 0045 VAL O
H A 0049 ALA N 2.768 H A 0046 PHE O
H A 0049 ALA N 2.250 H A 0048 LYS O
C A 0050 LYS N 2.250 H A 0049 ALA O
H A 0051 THR N 2.250 C A 0050 LYS O
H A 0052 ARG N 2.250 H A 0051 THR O
H A 0053 ASP N 2.942 H A 0051 THR O
H A 0053 ASP N 2.250 H A 0052 ARG O
H A 0054 GLU N 3.053 H A 0051 THR O
H A 0054 GLU N 2.251 H A 0053 ASP O
H A 0055 TYR N 2.249 H A 0054 GLU O
H A 0056 LEU N 3.105 H A 0052 ARG O
H A 0056 LEU N 2.250 H A 0055 TYR O
H A 0057 SER N 2.749 H A 0053 ASP O
H A 0057 SER N 2.890 H A 0055 TYR O
H A 0057 SER N 2.251 H A 0056 LEU O
H A 0058 LEU N 2.923 H A 0054 GLU O
H A 0058 LEU N 3.041 H A 0055 TYR O
H A 0058 LEU N 2.249 H A 0057 SER O
H A 0059 VAL N 2.736 H A 0055 TYR O
H A 0059 VAL N 2.250 H A 0058 LEU O
H A 0060 ALA N 3.164 H A 0056 LEU O
H A 0060 ALA N 2.249 H A 0059 VAL O
H A 0061 ARG N 3.168 H A 0057 SER O
H A 0061 ARG N 2.250 H A 0060 ALA O
H A 0062 LEU N 3.129 H A 0058 LEU O
H A 0062 LEU N 2.969 H A 0059 VAL O
H A 0062 LEU N 3.142 H A 0060 ALA O
H A 0062 LEU N 2.250 H A 0061 ARG O
H A 0063 ILE N 2.929 H A 0059 VAL O
H A 0063 ILE N 3.046 H A 0060 ALA O
H A 0063 ILE N 2.250 H A 0062 LEU O
H A 0064 ILE N 2.789 H A 0060 ALA O
H A 0064 ILE N 2.250 H A 0063 ILE O
H A 0065 HIS N 2.850 H A 0061 ARG O
H A 0065 HIS N 2.250 H A 0064 ILE O
H A 0066 PHE N 3.081 H A 0062 LEU O
H A 0066 PHE N 3.012 H A 0063 ILE O
H A 0066 PHE N 3.147 H A 0064 ILE O
H A 0066 PHE N 2.250 H A 0065 HIS O
H A 0067 ARG N 3.074 H A 0063 ILE O
H A 0067 ARG N 3.081 H A 0064 ILE O
H A 0067 ARG N 2.250 H A 0066 PHE O
H A 0068 ASP N 3.058 H A 0064 ILE O
H A 0068 ASP N 2.250 H A 0067 ARG O
H A 0069 ILE N 3.063 H A 0065 HIS O
H A 0069 ILE N 2.251 H A 0068 ASP O
H A 0070 HIS N 3.191 H A 0066 PHE O
H A 0070 HIS N 3.197 H A 0068 ASP O
H A 0070 HIS N 2.251 H A 0069 ILE O
H A 0071 ASN N 2.819 H A 0067 ARG O
H A 0071 ASN N 2.863 H A 0068 ASP O
H A 0071 ASN N 2.249 H A 0070 HIS O
H A 0072 LYS N 3.015 H A 0068 ASP O
H A 0072 LYS N 2.250 H A 0071 ASN O
C A 0073 LYS N 2.250 H A 0072 LYS O
C A 0074 SER N 3.148 H A 0072 LYS O
C A 0074 SER N 2.250 C A 0073 LYS O
C A 0075 GLN N 2.250 C A 0074 SER O
C A 0076 ALA N 2.250 C A 0075 GLN O
C A 0077 SER N 2.250 C A 0076 ALA O
C A 0078 VAL N 2.250 C A 0077 SER O
HB_MS 2.00 3.20 7
H A 0013 THR N 2.973 H A 0012 SER OG
H A 0029 LYS O 3.094 H A 0070 HIS ND1
H A 0038 SER N 2.741 H A 0037 SER OG
H A 0039 LYS N 3.197 H A 0042 GLU OE1
H A 0040 ASP O 2.628 H A 0043 SER OG
H A 0044 HIS N 2.832 H A 0043 SER OG
C A 0077 SER O 3.141 H A 0065 HIS NE2
HB_SS 2.00 3.20 1
H A 0042 GLU OE2 2.642 H A 0038 SER OG
AROMATIC 0.00 8.00 3
H A 0048 LYS 5.608 H A 0044 HIS
H A 0061 ARG 7.840 H A 0065 HIS
C A 0010 TRP 3.725 H A 0046 PHE