Complet list of 3cti con file
Complete list of 3cti.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 94
C A 0001 ARG C 2.421 C A 0002 VAL CA
C A 0001 ARG C 3.066 C A 0002 VAL C
C A 0001 ARG C 3.711 C A 0002 VAL CB
C A 0002 VAL C 2.441 C A 0003 CYS CA
C A 0002 VAL C 3.718 C A 0003 CYS C
C A 0002 VAL C 3.214 C A 0003 CYS CB
C A 0003 CYS CA 2.948 C A 0004 PRO CD
C A 0003 CYS C 2.422 C A 0004 PRO CA
C A 0003 CYS C 2.959 C A 0004 PRO C
C A 0003 CYS C 3.642 C A 0004 PRO CB
C A 0003 CYS C 3.656 C A 0004 PRO CG
C A 0003 CYS C 2.500 C A 0004 PRO CD
C A 0004 PRO C 2.444 C A 0005 ARG CA
C A 0004 PRO C 3.136 C A 0005 ARG C
C A 0004 PRO C 3.756 C A 0005 ARG CB
C A 0005 ARG C 2.457 C A 0006 ILE CA
C A 0005 ARG C 3.645 C A 0006 ILE C
C A 0005 ARG C 3.329 C A 0006 ILE CB
C A 0005 ARG C 3.119 C A 0006 ILE CG1
C A 0006 ILE C 2.466 C A 0007 LEU CA
C A 0006 ILE C 2.959 C A 0007 LEU C
C A 0006 ILE C 3.691 C A 0007 LEU CB
C A 0007 LEU C 2.469 C A 0008 MET CA
C A 0007 LEU C 3.687 C A 0008 MET C
C A 0007 LEU C 3.224 C A 0008 MET CB
C A 0008 MET C 2.447 C A 0009 GLU CA
C A 0008 MET C 3.063 C A 0009 GLU C
C A 0008 MET C 3.771 C A 0009 GLU CB
C A 0009 GLU C 2.445 C A 0010 CYS CA
C A 0009 GLU C 3.642 C A 0010 CYS C
C A 0009 GLU C 3.275 C A 0010 CYS CB
C A 0010 CYS C 2.455 C A 0011 LYS CA
C A 0010 CYS C 3.318 C A 0011 LYS C
C A 0010 CYS C 3.649 C A 0011 LYS CB
C A 0011 LYS C 2.436 C A 0012 LYS CA
C A 0011 LYS C 3.688 C A 0012 LYS C
C A 0011 LYS C 3.087 C A 0012 LYS CB
C A 0011 LYS C 3.487 C A 0012 LYS CG
C A 0012 LYS C 2.419 H A 0013 ASP CA
C A 0012 LYS C 2.953 H A 0013 ASP C
C A 0012 LYS C 3.692 H A 0013 ASP CB
C A 0012 LYS C 3.790 C A 0022 CYS CB
H A 0013 ASP C 2.418 H A 0014 SER CA
H A 0013 ASP C 3.027 H A 0014 SER C
H A 0013 ASP C 3.721 H A 0014 SER CB
H A 0014 SER C 2.422 H A 0015 ASP CA
H A 0014 SER C 2.975 H A 0015 ASP C
H A 0014 SER C 3.715 H A 0015 ASP CB
H A 0015 ASP C 2.446 C A 0016 CYS CA
H A 0015 ASP C 3.293 C A 0016 CYS C
H A 0015 ASP C 3.625 C A 0016 CYS CB
C A 0016 CYS C 2.475 C A 0017 LEU CA
C A 0016 CYS C 3.326 C A 0017 LEU C
C A 0016 CYS C 3.613 C A 0017 LEU CB
C A 0016 CYS C 3.717 C A 0017 LEU CG
C A 0016 CYS C 3.715 C A 0017 LEU CD2
C A 0017 LEU C 2.434 C A 0018 ALA CA
C A 0017 LEU C 2.945 C A 0018 ALA C
C A 0017 LEU C 3.014 C A 0018 ALA CB
C A 0018 ALA C 2.451 C A 0019 GLU CA
C A 0018 ALA C 3.186 C A 0019 GLU C
C A 0018 ALA C 3.667 C A 0019 GLU CB
C A 0019 GLU C 2.415 C A 0020 CYS CA
C A 0019 GLU C 2.976 C A 0020 CYS C
C A 0019 GLU C 3.700 C A 0020 CYS CB
C A 0020 CYS C 2.462 C A 0021 VAL CA
C A 0020 CYS C 3.583 C A 0021 VAL C
C A 0020 CYS C 3.412 C A 0021 VAL CB
C A 0020 CYS C 3.336 C A 0021 VAL CG1
C A 0021 VAL C 2.438 C A 0022 CYS CA
C A 0021 VAL C 3.285 C A 0022 CYS C
C A 0021 VAL C 3.627 C A 0022 CYS CB
C A 0022 CYS C 2.439 C A 0023 LEU CA
C A 0022 CYS C 3.170 C A 0023 LEU C
C A 0022 CYS C 3.686 C A 0023 LEU CB
C A 0023 LEU C 2.441 C A 0024 GLU CA
C A 0023 LEU C 3.085 C A 0024 GLU C
C A 0023 LEU C 3.754 C A 0024 GLU CB
C A 0024 GLU C 2.417 C A 0025 HIS CA
C A 0024 GLU C 2.974 C A 0025 HIS C
C A 0024 GLU C 3.705 C A 0025 HIS CB
C A 0025 HIS C 2.441 C A 0026 GLY CA
C A 0025 HIS C 3.287 C A 0026 GLY C
C A 0025 HIS C 3.672 C A 0027 TYR CD1
C A 0026 GLY C 2.467 C A 0027 TYR CA
C A 0026 GLY C 3.592 C A 0027 TYR C
C A 0026 GLY C 3.420 C A 0027 TYR CB
C A 0026 GLY C 3.437 C A 0027 TYR CG
C A 0026 GLY C 3.190 C A 0027 TYR CD1
C A 0027 TYR C 2.429 C A 0028 CYS CA
C A 0027 TYR C 3.057 C A 0028 CYS C
C A 0027 TYR C 3.723 C A 0028 CYS CB
C A 0028 CYS C 2.431 C A 0029 GLY CA
C A 0028 CYS C 3.711 C A 0029 GLY C
CHARGE_ATTR 2.00 12.00 13
C A 0009 GLU OE1 9.530 C A 0011 LYS NZ
C A 0009 GLU OE2 10.95 C A 0011 LYS NZ
H A 0013 ASP OD1 9.490 C A 0012 LYS NZ
H A 0013 ASP OD2 8.000 C A 0012 LYS NZ
H A 0015 ASP OD1 7.421 C A 0011 LYS NZ
H A 0015 ASP OD2 5.415 C A 0011 LYS NZ
H A 0015 ASP OD1 9.972 C A 0012 LYS NZ
H A 0015 ASP OD2 8.845 C A 0012 LYS NZ
C A 0019 GLU OE1 11.77 C A 0001 ARG NH2
C A 0024 GLU OE1 7.464 C A 0025 HIS ND1
C A 0024 GLU OE1 9.173 C A 0025 HIS NE2
C A 0024 GLU OE2 7.154 C A 0025 HIS ND1
C A 0024 GLU OE2 9.079 C A 0025 HIS NE2
CHARGE_REPU 2.00 12.00 19
C A 0005 ARG NH2 11.91 C A 0025 HIS ND1
C A 0005 ARG NH2 11.31 C A 0025 HIS NE2
C A 0009 GLU OE1 8.639 H A 0015 ASP OD1
C A 0009 GLU OE1 8.929 H A 0015 ASP OD2
C A 0009 GLU OE2 9.486 H A 0015 ASP OD1
C A 0009 GLU OE2 9.954 H A 0015 ASP OD2
C A 0011 LYS NZ 8.826 C A 0012 LYS NZ
H A 0013 ASP OD1 9.754 H A 0015 ASP OD1
H A 0013 ASP OD1 10.69 H A 0015 ASP OD2
H A 0013 ASP OD2 10.31 H A 0015 ASP OD1
H A 0013 ASP OD2 10.82 H A 0015 ASP OD2
H A 0013 ASP OD1 10.15 C A 0019 GLU OE1
H A 0013 ASP OD1 8.111 C A 0019 GLU OE2
H A 0013 ASP OD2 11.34 C A 0019 GLU OE1
H A 0013 ASP OD2 9.214 C A 0019 GLU OE2
H A 0013 ASP OD1 10.92 C A 0024 GLU OE1
H A 0013 ASP OD1 10.52 C A 0024 GLU OE2
H A 0013 ASP OD2 10.56 C A 0024 GLU OE1
H A 0013 ASP OD2 10.16 C A 0024 GLU OE2
HB_MM 2.00 3.20 41
C A 0002 VAL N 2.213 C A 0001 ARG O
C A 0003 CYS N 2.907 C A 0001 ARG O
C A 0003 CYS N 2.231 C A 0002 VAL O
C A 0004 PRO N 2.206 C A 0003 CYS O
C A 0005 ARG N 2.219 C A 0004 PRO O
C A 0006 ILE N 2.222 C A 0005 ARG O
C A 0007 LEU N 2.224 C A 0006 ILE O
C A 0008 MET N 2.826 C A 0006 ILE O
C A 0008 MET N 2.219 C A 0007 LEU O
C A 0009 GLU N 2.225 C A 0008 MET O
C A 0010 CYS N 2.218 C A 0009 GLU O
C A 0010 CYS N 3.086 C A 0026 GLY O
C A 0011 LYS N 2.223 C A 0010 CYS O
C A 0012 LYS N 2.219 C A 0011 LYS O
H A 0013 ASP N 2.214 C A 0012 LYS O
H A 0014 SER N 3.050 C A 0012 LYS O
H A 0014 SER N 2.212 H A 0013 ASP O
H A 0015 ASP N 2.894 C A 0012 LYS O
H A 0015 ASP N 2.211 H A 0014 SER O
C A 0016 CYS N 3.143 H A 0013 ASP O
C A 0016 CYS N 2.952 H A 0014 SER O
C A 0016 CYS N 2.213 H A 0015 ASP O
C A 0017 LEU N 2.226 C A 0016 CYS O
C A 0018 ALA N 2.203 C A 0017 LEU O
C A 0019 GLU N 3.120 C A 0002 VAL O
C A 0019 GLU N 2.200 C A 0018 ALA O
C A 0020 CYS N 2.951 C A 0018 ALA O
C A 0020 CYS N 2.210 C A 0019 GLU O
C A 0021 VAL N 2.220 C A 0020 CYS O
C A 0022 CYS N 2.217 C A 0021 VAL O
C A 0023 LEU N 2.211 C A 0022 CYS O
C A 0023 LEU N 3.191 C A 0027 TYR O
C A 0024 GLU N 2.219 C A 0023 LEU O
C A 0025 HIS N 2.209 C A 0024 GLU O
C A 0026 GLY N 3.091 C A 0023 LEU O
C A 0026 GLY N 2.719 C A 0024 GLU O
C A 0026 GLY N 2.218 C A 0025 HIS O
C A 0027 TYR N 2.215 C A 0026 GLY O
C A 0028 CYS N 2.218 C A 0027 TYR O
C A 0029 GLY N 3.029 C A 0021 VAL O
C A 0029 GLY N 2.211 C A 0028 CYS O
HB_MS 2.00 3.20 2
H A 0015 ASP N 2.933 H A 0014 SER OG
C A 0022 CYS N 3.047 H A 0013 ASP OD1
SS_BOND 1.50 2.80 3
C A 0003 CYS SG 2.020 C A 0020 CYS SG
C A 0010 CYS SG 2.021 C A 0022 CYS SG
C A 0016 CYS SG 2.021 C A 0028 CYS SG