Complet list of 2pdd con file
Complete list of 2pdd.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 171
C A 0001 VAL CA 3.798 C A 0002 ILE CA
C A 0001 VAL C 2.410 C A 0002 ILE CA
C A 0001 VAL C 2.932 C A 0002 ILE C
C A 0001 VAL C 3.682 C A 0002 ILE CB
C A 0002 ILE CA 3.794 C A 0003 ALA CA
C A 0002 ILE C 2.411 C A 0003 ALA CA
C A 0002 ILE C 2.943 C A 0003 ALA C
C A 0002 ILE C 3.682 C A 0003 ALA CB
C A 0003 ALA CA 3.790 C A 0004 MET CA
C A 0003 ALA C 2.408 C A 0004 MET CA
C A 0003 ALA C 3.031 C A 0004 MET C
C A 0003 ALA C 3.673 C A 0004 MET CB
C A 0004 MET CA 2.897 C A 0005 PRO CD
C A 0004 MET C 2.441 C A 0005 PRO CA
C A 0004 MET C 3.009 C A 0005 PRO C
C A 0004 MET C 3.693 C A 0005 PRO CB
C A 0004 MET C 3.707 C A 0005 PRO CG
C A 0004 MET C 2.495 C A 0005 PRO CD
C A 0004 MET CB 3.526 C A 0005 PRO CD
C A 0005 PRO C 2.415 C A 0006 SER CA
C A 0005 PRO C 2.894 C A 0006 SER C
C A 0005 PRO C 3.664 C A 0006 SER CB
C A 0005 PRO C 3.691 H A 0009 LYS CD
C A 0006 SER C 2.421 H A 0007 VAL CA
C A 0006 SER C 3.233 H A 0007 VAL C
C A 0006 SER C 3.636 H A 0007 VAL CB
H A 0007 VAL CA 3.790 H A 0008 ARG CA
H A 0007 VAL C 2.398 H A 0008 ARG CA
H A 0007 VAL C 2.982 H A 0008 ARG C
H A 0007 VAL C 3.669 H A 0008 ARG CB
H A 0008 ARG CA 3.794 H A 0009 LYS CA
H A 0008 ARG C 2.403 H A 0009 LYS CA
H A 0008 ARG C 2.900 H A 0009 LYS C
H A 0008 ARG C 3.674 H A 0009 LYS CB
H A 0009 LYS CA 3.761 H A 0010 TYR CA
H A 0009 LYS C 2.380 H A 0010 TYR CA
H A 0009 LYS C 2.905 H A 0010 TYR C
H A 0009 LYS C 3.658 H A 0010 TYR CB
H A 0010 TYR CA 3.771 H A 0011 ALA CA
H A 0010 TYR C 2.391 H A 0011 ALA CA
H A 0010 TYR C 2.850 H A 0011 ALA C
H A 0010 TYR C 3.644 H A 0011 ALA CB
H A 0010 TYR CD2 3.712 H A 0011 ALA CA
H A 0010 TYR CZ 3.442 H A 0014 LYS CE
H A 0010 TYR CE2 3.748 H A 0035 ILE CB
H A 0010 TYR CE2 3.651 H A 0035 ILE CG2
H A 0011 ALA CA 3.762 H A 0012 ARG CA
H A 0011 ALA C 2.398 H A 0012 ARG CA
H A 0011 ALA C 3.025 H A 0012 ARG C
H A 0011 ALA C 3.663 H A 0012 ARG CB
H A 0011 ALA CB 3.565 H A 0035 ILE CD1
H A 0012 ARG C 2.415 H A 0013 GLU CA
H A 0012 ARG C 2.886 H A 0013 GLU C
H A 0012 ARG C 3.688 H A 0013 GLU CB
H A 0013 GLU C 2.416 H A 0014 LYS CA
H A 0013 GLU C 3.126 H A 0014 LYS C
H A 0013 GLU C 3.694 H A 0014 LYS CB
H A 0014 LYS C 2.440 H A 0015 GLY CA
H A 0014 LYS C 3.309 H A 0015 GLY C
H A 0014 LYS CD 3.454 C A 0016 VAL CG2
H A 0015 GLY C 2.432 C A 0016 VAL CA
H A 0015 GLY C 3.653 C A 0016 VAL C
H A 0015 GLY C 3.239 C A 0016 VAL CB
H A 0015 GLY C 3.264 C A 0016 VAL CG2
C A 0016 VAL C 2.411 H A 0017 ASP CA
C A 0016 VAL C 3.089 H A 0017 ASP C
C A 0016 VAL C 3.663 H A 0017 ASP CB
C A 0016 VAL CG1 3.449 H A 0035 ILE CG2
C A 0016 VAL CG1 3.512 H A 0038 PHE CG
C A 0016 VAL CG1 3.061 H A 0038 PHE CD2
C A 0016 VAL CG1 3.447 H A 0038 PHE CE2
C A 0016 VAL CG2 3.452 H A 0038 PHE CD2
H A 0017 ASP C 2.423 H A 0018 ILE CA
H A 0017 ASP C 2.922 H A 0018 ILE C
H A 0017 ASP C 3.683 H A 0018 ILE CB
H A 0017 ASP CB 3.739 H A 0020 LEU CG
H A 0017 ASP CB 3.631 H A 0020 LEU CD1
H A 0017 ASP CG 3.763 H A 0020 LEU CG
H A 0018 ILE CA 3.792 H A 0019 ARG CA
H A 0018 ILE C 2.409 H A 0019 ARG CA
H A 0018 ILE C 2.920 H A 0019 ARG C
H A 0018 ILE C 3.666 H A 0019 ARG CB
H A 0018 ILE CA 3.629 H A 0021 VAL CG2
H A 0018 ILE C 3.735 H A 0021 VAL CG2
H A 0019 ARG C 2.413 H A 0020 LEU CA
H A 0019 ARG C 2.976 H A 0020 LEU C
H A 0019 ARG C 3.688 H A 0020 LEU CB
H A 0020 LEU CA 3.797 H A 0021 VAL CA
H A 0020 LEU C 2.404 H A 0021 VAL CA
H A 0020 LEU C 2.894 H A 0021 VAL C
H A 0020 LEU C 3.684 H A 0021 VAL CB
H A 0021 VAL C 2.433 C A 0022 GLN CA
H A 0021 VAL C 3.637 C A 0022 GLN C
H A 0021 VAL C 3.274 C A 0022 GLN CB
H A 0021 VAL CG1 3.640 H A 0034 ASP C
H A 0021 VAL CG2 3.609 H A 0038 PHE CD1
C A 0022 GLN C 2.416 C A 0023 GLY CA
C A 0022 GLN C 3.122 C A 0023 GLY C
C A 0023 GLY CA 3.794 C A 0024 THR CA
C A 0023 GLY C 2.409 C A 0024 THR CA
C A 0023 GLY C 3.130 C A 0024 THR C
C A 0023 GLY C 3.636 C A 0024 THR CB
C A 0023 GLY CA 3.452 H A 0034 ASP CG
C A 0024 THR CA 3.781 C A 0025 GLY CA
C A 0024 THR C 2.416 C A 0025 GLY CA
C A 0024 THR C 3.660 C A 0025 GLY C
C A 0025 GLY C 2.413 C A 0026 LYS CA
C A 0025 GLY C 3.103 C A 0026 LYS C
C A 0025 GLY C 3.675 C A 0026 LYS CB
C A 0026 LYS C 2.429 C A 0027 ASN CA
C A 0026 LYS C 3.607 C A 0027 ASN C
C A 0026 LYS C 3.288 C A 0027 ASN CB
C A 0027 ASN CA 3.770 C A 0028 GLY CA
C A 0027 ASN C 2.394 C A 0028 GLY CA
C A 0027 ASN C 2.893 C A 0028 GLY C
C A 0028 GLY C 2.444 C A 0029 ARG CA
C A 0028 GLY C 3.384 C A 0029 ARG C
C A 0028 GLY C 3.589 C A 0029 ARG CB
C A 0028 GLY C 3.764 C A 0029 ARG CG
C A 0029 ARG CA 3.796 C A 0030 VAL CA
C A 0029 ARG C 2.416 C A 0030 VAL CA
C A 0029 ARG C 3.157 C A 0030 VAL C
C A 0029 ARG C 3.654 C A 0030 VAL CB
C A 0029 ARG C 3.733 C A 0031 LEU CD1
C A 0030 VAL C 2.434 C A 0031 LEU CA
C A 0030 VAL C 3.330 C A 0031 LEU C
C A 0030 VAL C 3.616 C A 0031 LEU CB
C A 0030 VAL C 3.346 C A 0031 LEU CD1
C A 0031 LEU CA 3.778 H A 0032 LYS CA
C A 0031 LEU C 2.406 H A 0032 LYS CA
C A 0031 LEU C 3.019 H A 0032 LYS C
C A 0031 LEU C 3.675 H A 0032 LYS CB
C A 0031 LEU C 3.572 H A 0034 ASP CB
H A 0032 LYS CA 3.775 H A 0033 GLU CA
H A 0032 LYS C 2.411 H A 0033 GLU CA
H A 0032 LYS C 3.113 H A 0033 GLU C
H A 0032 LYS C 3.658 H A 0033 GLU CB
H A 0033 GLU CA 3.772 H A 0034 ASP CA
H A 0033 GLU C 2.409 H A 0034 ASP CA
H A 0033 GLU C 2.992 H A 0034 ASP C
H A 0033 GLU C 3.673 H A 0034 ASP CB
H A 0034 ASP CA 3.777 H A 0035 ILE CA
H A 0034 ASP C 2.401 H A 0035 ILE CA
H A 0034 ASP C 3.094 H A 0035 ILE C
H A 0034 ASP C 3.649 H A 0035 ILE CB
H A 0035 ILE CA 3.790 H A 0036 ASP CA
H A 0035 ILE C 2.401 H A 0036 ASP CA
H A 0035 ILE C 2.859 H A 0036 ASP C
H A 0035 ILE C 3.669 H A 0036 ASP CB
H A 0035 ILE C 3.778 H A 0038 PHE CB
H A 0036 ASP CA 3.779 H A 0037 ALA CA
H A 0036 ASP C 2.408 H A 0037 ALA CA
H A 0036 ASP C 3.080 H A 0037 ALA C
H A 0036 ASP C 3.669 H A 0037 ALA CB
H A 0037 ALA C 2.424 H A 0038 PHE CA
H A 0037 ALA C 2.877 H A 0038 PHE C
H A 0037 ALA C 3.660 H A 0038 PHE CB
H A 0038 PHE CA 3.772 H A 0039 LEU CA
H A 0038 PHE C 2.402 H A 0039 LEU CA
H A 0038 PHE C 3.101 H A 0039 LEU C
H A 0038 PHE C 3.661 H A 0039 LEU CB
H A 0039 LEU C 2.421 C A 0040 ALA CA
H A 0039 LEU C 2.859 C A 0040 ALA C
H A 0039 LEU C 3.665 C A 0040 ALA CB
C A 0040 ALA C 2.414 C A 0041 GLY CA
C A 0040 ALA C 2.870 C A 0041 GLY C
C A 0041 GLY C 2.423 C A 0042 GLY CA
C A 0041 GLY C 3.192 C A 0042 GLY C
C A 0042 GLY C 2.417 C A 0043 ALA CA
C A 0042 GLY C 3.673 C A 0043 ALA C
C A 0042 GLY C 3.127 C A 0043 ALA CB
CHARGE_ATTR 2.00 12.00 27
H A 0013 GLU OE1 7.821 H A 0009 LYS NZ
H A 0013 GLU OE2 7.033 H A 0009 LYS NZ
H A 0013 GLU OE1 10.73 H A 0012 ARG NH1
H A 0013 GLU OE1 8.777 H A 0012 ARG NH2
H A 0013 GLU OE2 8.731 H A 0012 ARG NH1
H A 0013 GLU OE2 6.680 H A 0012 ARG NH2
H A 0013 GLU OE1 10.51 H A 0014 LYS NZ
H A 0013 GLU OE2 11.68 H A 0014 LYS NZ
H A 0013 GLU OE1 11.20 H A 0032 LYS NZ
H A 0017 ASP OD1 10.09 H A 0008 ARG NH1
H A 0017 ASP OD1 11.12 H A 0008 ARG NH2
H A 0017 ASP OD2 11.18 H A 0008 ARG NH1
H A 0017 ASP OD1 6.435 H A 0019 ARG NH1
H A 0017 ASP OD1 7.424 H A 0019 ARG NH2
H A 0017 ASP OD2 6.245 H A 0019 ARG NH1
H A 0017 ASP OD2 7.823 H A 0019 ARG NH2
H A 0017 ASP OD1 10.74 C A 0026 LYS NZ
H A 0033 GLU OE1 10.31 H A 0032 LYS NZ
H A 0033 GLU OE2 8.840 H A 0032 LYS NZ
H A 0034 ASP OD1 10.85 H A 0014 LYS NZ
H A 0034 ASP OD1 10.85 C A 0026 LYS NZ
H A 0034 ASP OD2 10.89 C A 0026 LYS NZ
H A 0034 ASP OD2 10.30 C A 0029 ARG NH1
H A 0036 ASP OD1 4.738 H A 0014 LYS NZ
H A 0036 ASP OD2 6.032 H A 0014 LYS NZ
H A 0036 ASP OD1 8.139 H A 0032 LYS NZ
H A 0036 ASP OD2 9.640 H A 0032 LYS NZ
CHARGE_REPU 2.00 12.00 30
H A 0008 ARG NH1 10.99 H A 0009 LYS NZ
H A 0008 ARG NH2 10.66 H A 0009 LYS NZ
H A 0008 ARG NH1 6.877 H A 0012 ARG NH1
H A 0008 ARG NH1 8.684 H A 0012 ARG NH2
H A 0008 ARG NH2 8.560 H A 0012 ARG NH1
H A 0008 ARG NH2 10.06 H A 0012 ARG NH2
H A 0008 ARG NH1 10.84 H A 0019 ARG NH1
H A 0008 ARG NH1 10.24 H A 0019 ARG NH2
H A 0008 ARG NH2 11.98 H A 0019 ARG NH1
H A 0008 ARG NH2 11.02 H A 0019 ARG NH2
H A 0009 LYS NZ 9.188 H A 0012 ARG NH1
H A 0009 LYS NZ 7.979 H A 0012 ARG NH2
H A 0009 LYS NZ 8.956 H A 0032 LYS NZ
H A 0014 LYS NZ 10.62 H A 0032 LYS NZ
H A 0017 ASP OD1 10.83 H A 0034 ASP OD1
H A 0017 ASP OD1 11.97 H A 0034 ASP OD2
H A 0019 ARG NH1 9.880 C A 0026 LYS NZ
H A 0019 ARG NH2 8.784 C A 0026 LYS NZ
H A 0033 GLU OE1 9.262 H A 0034 ASP OD1
H A 0033 GLU OE1 8.939 H A 0034 ASP OD2
H A 0033 GLU OE2 10.76 H A 0034 ASP OD1
H A 0033 GLU OE2 10.32 H A 0034 ASP OD2
H A 0033 GLU OE1 8.121 H A 0036 ASP OD1
H A 0033 GLU OE1 6.915 H A 0036 ASP OD2
H A 0033 GLU OE2 8.003 H A 0036 ASP OD1
H A 0033 GLU OE2 7.219 H A 0036 ASP OD2
H A 0034 ASP OD1 10.48 H A 0036 ASP OD1
H A 0034 ASP OD1 9.946 H A 0036 ASP OD2
H A 0034 ASP OD2 11.43 H A 0036 ASP OD1
H A 0034 ASP OD2 10.95 H A 0036 ASP OD2
HB_MM 2.00 3.20 73
C A 0002 ILE N 2.216 C A 0001 VAL O
C A 0003 ALA N 2.214 C A 0002 ILE O
C A 0004 MET N 2.214 C A 0003 ALA O
C A 0005 PRO N 2.235 C A 0004 MET O
C A 0006 SER N 2.220 C A 0005 PRO O
H A 0007 VAL N 3.119 C A 0004 MET O
H A 0007 VAL N 2.753 C A 0005 PRO O
H A 0007 VAL N 2.216 C A 0006 SER O
H A 0008 ARG N 2.895 C A 0005 PRO O
H A 0008 ARG N 2.203 H A 0007 VAL O
H A 0009 LYS N 2.893 C A 0005 PRO O
H A 0009 LYS N 2.216 H A 0008 ARG O
H A 0010 TYR N 3.180 H A 0007 VAL O
H A 0010 TYR N 3.049 H A 0008 ARG O
H A 0010 TYR N 2.207 H A 0009 LYS O
H A 0011 ALA N 2.916 H A 0008 ARG O
H A 0011 ALA N 2.199 H A 0010 TYR O
H A 0012 ARG N 3.084 H A 0008 ARG O
H A 0012 ARG N 3.088 H A 0009 LYS O
H A 0012 ARG N 2.980 H A 0010 TYR O
H A 0012 ARG N 2.213 H A 0011 ALA O
H A 0013 GLU N 2.861 H A 0009 LYS O
H A 0013 GLU N 2.878 H A 0010 TYR O
H A 0013 GLU N 2.220 H A 0012 ARG O
H A 0014 LYS N 2.222 H A 0013 GLU O
H A 0015 GLY N 2.753 H A 0011 ALA O
H A 0015 GLY N 2.980 H A 0012 ARG O
H A 0015 GLY N 2.222 H A 0014 LYS O
C A 0016 VAL N 2.781 H A 0011 ALA O
C A 0016 VAL N 2.218 H A 0015 GLY O
H A 0017 ASP N 2.219 C A 0016 VAL O
H A 0018 ILE N 3.039 C A 0016 VAL O
H A 0018 ILE N 2.218 H A 0017 ASP O
H A 0019 ARG N 3.048 H A 0017 ASP O
H A 0019 ARG N 2.205 H A 0018 ILE O
H A 0020 LEU N 3.077 H A 0017 ASP O
H A 0020 LEU N 2.215 H A 0019 ARG O
H A 0021 VAL N 2.902 H A 0018 ILE O
H A 0021 VAL N 3.152 H A 0019 ARG O
H A 0021 VAL N 2.210 H A 0020 LEU O
C A 0022 GLN N 2.227 H A 0021 VAL O
C A 0023 GLY N 2.213 C A 0022 GLN O
C A 0024 THR N 2.217 C A 0023 GLY O
C A 0025 GLY N 2.220 C A 0024 THR O
C A 0026 LYS N 2.213 C A 0025 GLY O
C A 0027 ASN N 2.638 C A 0025 GLY O
C A 0027 ASN N 2.219 C A 0026 LYS O
C A 0028 GLY N 2.202 C A 0027 ASN O
C A 0029 ARG N 2.495 C A 0027 ASN O
C A 0029 ARG N 2.230 C A 0028 GLY O
C A 0030 VAL N 2.870 C A 0027 ASN O
C A 0030 VAL N 2.213 C A 0029 ARG O
C A 0031 LEU N 2.219 C A 0030 VAL O
H A 0032 LYS N 2.222 C A 0031 LEU O
H A 0033 GLU N 2.228 H A 0032 LYS O
H A 0034 ASP N 3.115 C A 0031 LEU O
H A 0034 ASP N 2.223 H A 0033 GLU O
H A 0035 ILE N 2.226 H A 0034 ASP O
H A 0036 ASP N 2.212 H A 0035 ILE O
H A 0037 ALA N 2.990 H A 0035 ILE O
H A 0037 ALA N 2.215 H A 0036 ASP O
H A 0038 PHE N 2.752 H A 0035 ILE O
H A 0038 PHE N 2.221 H A 0037 ALA O
H A 0039 LEU N 2.217 H A 0038 PHE O
C A 0040 ALA N 2.218 H A 0039 LEU O
C A 0041 GLY N 3.043 H A 0037 ALA O
C A 0041 GLY N 2.896 H A 0039 LEU O
C A 0041 GLY N 2.212 C A 0040 ALA O
C A 0042 GLY N 2.604 H A 0039 LEU O
C A 0042 GLY N 2.872 C A 0040 ALA O
C A 0042 GLY N 2.219 C A 0041 GLY O
C A 0043 ALA N 3.106 C A 0041 GLY O
C A 0043 ALA N 2.217 C A 0042 GLY O
HB_MS 2.00 3.20 4
H A 0018 ILE N 3.086 H A 0017 ASP OD1
H A 0019 ARG N 2.745 H A 0017 ASP OD1
C A 0023 GLY N 2.675 H A 0034 ASP OD1
C A 0025 GLY N 3.059 C A 0024 THR OG1
HB_SS 2.00 3.20 1
H A 0014 LYS NZ 2.381 H A 0010 TYR OH
AROMATIC 0.00 8.00 3
H A 0014 LYS 4.758 H A 0010 TYR
H A 0032 LYS 6.893 H A 0010 TYR
H A 0014 LYS 7.859 H A 0038 PHE