Complet list of 1wqd con file
Complete list of 1wqd.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 105
H A 0001 ASP CA 2.906 H A 0002 PRO CD
H A 0001 ASP C 2.466 H A 0002 PRO CA
H A 0001 ASP C 3.129 H A 0002 PRO C
H A 0001 ASP C 3.651 H A 0002 PRO CB
H A 0001 ASP C 3.641 H A 0002 PRO CG
H A 0001 ASP C 2.506 H A 0002 PRO CD
H A 0001 ASP CB 3.509 H A 0002 PRO CD
H A 0002 PRO C 2.433 H A 0003 CYS CA
H A 0002 PRO C 3.000 H A 0003 CYS C
H A 0002 PRO C 3.704 H A 0003 CYS CB
H A 0003 CYS CA 3.797 H A 0004 TYR CA
H A 0003 CYS C 2.432 H A 0004 TYR CA
H A 0003 CYS C 2.978 H A 0004 TYR C
H A 0003 CYS C 3.708 H A 0004 TYR CB
H A 0004 TYR C 2.435 H A 0005 GLU CA
H A 0004 TYR C 2.977 H A 0005 GLU C
H A 0004 TYR C 3.718 H A 0005 GLU CB
H A 0004 TYR CG 3.720 H A 0008 LEU CD1
H A 0004 TYR CD2 3.165 H A 0008 LEU CD1
H A 0004 TYR CE2 3.180 H A 0008 LEU CD1
H A 0004 TYR CZ 3.736 H A 0008 LEU CD1
H A 0004 TYR CZ 3.730 H A 0008 LEU CD2
H A 0004 TYR CZ 3.677 H A 0014 VAL CG2
H A 0005 GLU C 2.434 H A 0006 VAL CA
H A 0005 GLU C 2.920 H A 0006 VAL C
H A 0005 GLU C 3.732 H A 0006 VAL CB
H A 0006 VAL CA 3.797 H A 0007 CYS CA
H A 0006 VAL C 2.438 H A 0007 CYS CA
H A 0006 VAL C 2.999 H A 0007 CYS C
H A 0006 VAL C 3.693 H A 0007 CYS CB
H A 0006 VAL C 3.777 H A 0009 GLN CB
H A 0007 CYS CA 3.781 H A 0008 LEU CA
H A 0007 CYS C 2.445 H A 0008 LEU CA
H A 0007 CYS C 2.897 H A 0008 LEU C
H A 0007 CYS C 3.668 H A 0008 LEU CB
H A 0007 CYS C 3.641 C A 0011 HIS CB
H A 0008 LEU CA 3.792 H A 0009 GLN CA
H A 0008 LEU C 2.438 H A 0009 GLN CA
H A 0008 LEU C 2.908 H A 0009 GLN C
H A 0008 LEU C 3.706 H A 0009 GLN CB
H A 0009 GLN C 2.435 C A 0010 GLN CA
H A 0009 GLN C 3.671 C A 0010 GLN C
H A 0009 GLN C 3.207 C A 0010 GLN CB
H A 0009 GLN C 3.058 C A 0010 GLN CG
C A 0010 GLN C 2.434 C A 0011 HIS CA
C A 0010 GLN C 3.683 C A 0011 HIS C
C A 0010 GLN C 3.171 C A 0011 HIS CB
C A 0011 HIS CA 3.793 C A 0012 GLY CA
C A 0011 HIS C 2.419 C A 0012 GLY CA
C A 0011 HIS C 3.099 C A 0012 GLY C
C A 0012 GLY CA 3.795 H A 0013 ASN CA
C A 0012 GLY C 2.431 H A 0013 ASN CA
C A 0012 GLY C 3.191 H A 0013 ASN C
C A 0012 GLY C 3.678 H A 0013 ASN CB
H A 0013 ASN C 2.441 H A 0014 VAL CA
H A 0013 ASN C 2.916 H A 0014 VAL C
H A 0013 ASN C 3.720 H A 0014 VAL CB
H A 0013 ASN C 3.750 H A 0017 CYS CB
H A 0014 VAL C 2.473 H A 0015 LYS CA
H A 0014 VAL C 2.836 H A 0015 LYS C
H A 0014 VAL C 3.457 H A 0015 LYS CB
H A 0014 VAL CG1 3.632 H A 0018 GLU CB
H A 0014 VAL CG1 3.601 H A 0018 GLU CG
H A 0015 LYS C 2.440 H A 0016 GLU CA
H A 0015 LYS C 3.005 H A 0016 GLU C
H A 0015 LYS C 3.721 H A 0016 GLU CB
H A 0016 GLU C 2.439 H A 0017 CYS CA
H A 0016 GLU C 2.905 H A 0017 CYS C
H A 0016 GLU C 3.702 H A 0017 CYS CB
H A 0017 CYS C 2.433 H A 0018 GLU CA
H A 0017 CYS C 3.026 H A 0018 GLU C
H A 0017 CYS C 3.713 H A 0018 GLU CB
H A 0018 GLU C 2.432 H A 0019 GLU CA
H A 0018 GLU C 2.993 H A 0019 GLU C
H A 0018 GLU C 3.715 H A 0019 GLU CB
H A 0019 GLU C 2.434 H A 0020 ALA CA
H A 0019 GLU C 3.163 H A 0020 ALA C
H A 0019 GLU C 3.677 H A 0020 ALA CB
H A 0020 ALA C 2.435 H A 0021 CYS CA
H A 0020 ALA C 3.180 H A 0021 CYS C
H A 0020 ALA C 3.682 H A 0021 CYS CB
H A 0021 CYS C 2.446 H A 0022 LYS CA
H A 0021 CYS C 2.913 H A 0022 LYS C
H A 0021 CYS C 3.152 H A 0022 LYS CB
H A 0021 CYS C 3.105 H A 0022 LYS CG
H A 0022 LYS C 2.436 C A 0023 HIS CA
H A 0022 LYS C 3.478 C A 0023 HIS C
H A 0022 LYS C 3.495 C A 0023 HIS CB
H A 0022 LYS C 3.730 C A 0024 PRO CD
C A 0023 HIS CA 2.913 C A 0024 PRO CD
C A 0023 HIS C 2.467 C A 0024 PRO CA
C A 0023 HIS C 3.145 C A 0024 PRO C
C A 0023 HIS C 3.649 C A 0024 PRO CB
C A 0023 HIS C 3.644 C A 0024 PRO CG
C A 0023 HIS C 2.508 C A 0024 PRO CD
C A 0024 PRO CA 3.795 C A 0025 VAL CA
C A 0024 PRO C 2.428 C A 0025 VAL CA
C A 0024 PRO C 3.180 C A 0025 VAL C
C A 0024 PRO C 3.693 C A 0025 VAL CB
C A 0025 VAL C 2.430 C A 0026 GLU CA
C A 0025 VAL C 3.093 C A 0026 GLU C
C A 0025 VAL C 3.698 C A 0026 GLU CB
C A 0026 GLU C 2.435 C A 0027 TYR CA
C A 0026 GLU C 3.002 C A 0027 TYR C
C A 0026 GLU C 3.002 C A 0027 TYR CB
CHARGE_ATTR 2.00 12.00 23
H A 0001 ASP OD1 6.883 C A 0023 HIS ND1
H A 0001 ASP OD1 8.795 C A 0023 HIS NE2
H A 0001 ASP OD2 4.721 C A 0023 HIS ND1
H A 0001 ASP OD2 6.699 C A 0023 HIS NE2
H A 0005 GLU OE1 11.53 C A 0023 HIS ND1
H A 0016 GLU OE1 5.737 C A 0011 HIS ND1
H A 0016 GLU OE1 4.748 C A 0011 HIS NE2
H A 0016 GLU OE2 7.411 C A 0011 HIS ND1
H A 0016 GLU OE2 6.753 C A 0011 HIS NE2
H A 0016 GLU OE1 9.691 H A 0015 LYS NZ
H A 0016 GLU OE2 8.595 H A 0015 LYS NZ
H A 0018 GLU OE1 11.33 C A 0011 HIS ND1
H A 0018 GLU OE2 11.67 C A 0011 HIS ND1
H A 0018 GLU OE1 11.93 H A 0015 LYS NZ
H A 0018 GLU OE2 10.82 H A 0015 LYS NZ
H A 0018 GLU OE1 9.567 C A 0023 HIS ND1
H A 0018 GLU OE1 10.60 C A 0023 HIS NE2
H A 0018 GLU OE2 10.19 C A 0023 HIS ND1
H A 0018 GLU OE2 11.55 C A 0023 HIS NE2
H A 0019 GLU OE1 10.05 C A 0011 HIS ND1
H A 0019 GLU OE1 9.843 C A 0011 HIS NE2
H A 0019 GLU OE2 11.13 C A 0011 HIS ND1
H A 0019 GLU OE2 11.20 C A 0011 HIS NE2
CHARGE_REPU 2.00 12.00 27
H A 0001 ASP OD1 7.087 H A 0005 GLU OE1
H A 0001 ASP OD1 9.200 H A 0005 GLU OE2
H A 0001 ASP OD2 8.402 H A 0005 GLU OE1
H A 0001 ASP OD2 10.39 H A 0005 GLU OE2
H A 0001 ASP OD1 11.86 H A 0018 GLU OE1
H A 0001 ASP OD1 11.10 H A 0018 GLU OE2
H A 0001 ASP OD2 10.61 H A 0018 GLU OE1
H A 0001 ASP OD2 10.22 H A 0018 GLU OE2
H A 0001 ASP OD1 9.584 C A 0026 GLU OE1
H A 0001 ASP OD1 10.31 C A 0026 GLU OE2
H A 0001 ASP OD2 9.827 C A 0026 GLU OE1
H A 0001 ASP OD2 10.39 C A 0026 GLU OE2
C A 0011 HIS ND1 10.27 H A 0015 LYS NZ
C A 0011 HIS NE2 11.30 H A 0015 LYS NZ
H A 0016 GLU OE1 7.554 H A 0019 GLU OE1
H A 0016 GLU OE1 8.578 H A 0019 GLU OE2
H A 0016 GLU OE2 7.809 H A 0019 GLU OE1
H A 0016 GLU OE2 8.344 H A 0019 GLU OE2
H A 0018 GLU OE1 8.842 H A 0019 GLU OE1
H A 0018 GLU OE1 7.833 H A 0019 GLU OE2
H A 0018 GLU OE2 10.48 H A 0019 GLU OE1
H A 0018 GLU OE2 9.378 H A 0019 GLU OE2
H A 0018 GLU OE1 11.20 C A 0026 GLU OE2
H A 0018 GLU OE2 11.34 C A 0026 GLU OE1
H A 0018 GLU OE2 9.805 C A 0026 GLU OE2
H A 0022 LYS NZ 8.533 C A 0023 HIS ND1
H A 0022 LYS NZ 6.692 C A 0023 HIS NE2
HB_MM 2.00 3.20 51
H A 0002 PRO N 2.252 H A 0001 ASP O
H A 0003 CYS N 2.250 H A 0002 PRO O
H A 0004 TYR N 2.251 H A 0003 CYS O
H A 0005 GLU N 3.179 H A 0001 ASP O
H A 0005 GLU N 2.241 H A 0004 TYR O
H A 0006 VAL N 2.968 H A 0002 PRO O
H A 0006 VAL N 2.249 H A 0005 GLU O
H A 0007 CYS N 2.939 H A 0003 CYS O
H A 0007 CYS N 3.085 H A 0004 TYR O
H A 0007 CYS N 3.170 H A 0005 GLU O
H A 0007 CYS N 2.251 H A 0006 VAL O
H A 0008 LEU N 2.683 H A 0004 TYR O
H A 0008 LEU N 2.256 H A 0007 CYS O
H A 0009 GLN N 2.671 H A 0005 GLU O
H A 0009 GLN N 2.841 H A 0007 CYS O
H A 0009 GLN N 2.252 H A 0008 LEU O
C A 0010 GLN N 2.714 H A 0007 CYS O
C A 0010 GLN N 2.868 H A 0008 LEU O
C A 0010 GLN N 2.250 H A 0009 GLN O
C A 0011 HIS N 2.917 H A 0007 CYS O
C A 0011 HIS N 2.250 C A 0010 GLN O
C A 0012 GLY N 2.251 C A 0011 HIS O
H A 0013 ASN N 2.250 C A 0012 GLY O
H A 0014 VAL N 2.252 H A 0013 ASN O
H A 0015 LYS N 2.259 H A 0014 VAL O
H A 0016 GLU N 2.854 H A 0014 VAL O
H A 0016 GLU N 2.251 H A 0015 LYS O
H A 0017 CYS N 2.522 H A 0014 VAL O
H A 0017 CYS N 2.251 H A 0016 GLU O
H A 0018 GLU N 2.698 H A 0014 VAL O
H A 0018 GLU N 3.185 H A 0015 LYS O
H A 0018 GLU N 2.911 H A 0016 GLU O
H A 0018 GLU N 2.250 H A 0017 CYS O
H A 0019 GLU N 2.811 H A 0016 GLU O
H A 0019 GLU N 2.251 H A 0018 GLU O
H A 0020 ALA N 2.898 H A 0016 GLU O
H A 0020 ALA N 3.155 H A 0018 GLU O
H A 0020 ALA N 2.250 H A 0019 GLU O
H A 0021 CYS N 2.799 H A 0017 CYS O
H A 0021 CYS N 3.064 H A 0018 GLU O
H A 0021 CYS N 2.250 H A 0020 ALA O
H A 0022 LYS N 2.744 H A 0018 GLU O
H A 0022 LYS N 2.253 H A 0021 CYS O
C A 0023 HIS N 2.892 H A 0021 CYS O
C A 0023 HIS N 2.251 H A 0022 LYS O
C A 0024 PRO N 2.251 C A 0023 HIS O
C A 0025 VAL N 2.620 C A 0023 HIS O
C A 0025 VAL N 2.249 C A 0024 PRO O
C A 0026 GLU N 2.246 C A 0025 VAL O
C A 0027 TYR N 2.598 C A 0025 VAL O
C A 0027 TYR N 2.251 C A 0026 GLU O
SS_BOND 1.50 2.80 2
H A 0003 CYS SG 2.030 H A 0021 CYS SG
H A 0007 CYS SG 2.029 H A 0017 CYS SG