Complet list of 1qky con file
Complete list of 1qky.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 140
C A 0001 ASP C 2.475 C A 0002 GLU CA
C A 0001 ASP C 3.607 C A 0002 GLU C
C A 0001 ASP C 3.344 C A 0002 GLU CB
C A 0002 GLU C 2.476 C A 0003 ALA CA
C A 0002 GLU C 2.966 C A 0003 ALA C
C A 0002 GLU C 3.176 C A 0003 ALA CB
C A 0003 ALA C 2.483 C A 0004 ILE CA
C A 0003 ALA C 3.537 C A 0004 ILE C
C A 0003 ALA C 3.420 C A 0004 ILE CB
C A 0003 ALA C 3.456 C A 0004 ILE CG1
C A 0004 ILE C 2.460 C A 0005 ARG CA
C A 0004 ILE C 3.497 C A 0005 ARG C
C A 0004 ILE C 3.483 C A 0005 ARG CB
C A 0004 ILE C 3.559 C A 0005 ARG CG
C A 0004 ILE CG2 3.798 H A 0015 PRO CB
C A 0004 ILE CG2 3.742 H A 0015 PRO CG
C A 0004 ILE CD1 3.357 H A 0019 ILE CD1
C A 0004 ILE CG2 3.634 E A 0032 CYS CB
C A 0005 ARG C 2.471 C A 0006 CYS CA
C A 0005 ARG C 3.661 C A 0006 CYS C
C A 0005 ARG C 3.328 C A 0006 CYS CB
C A 0006 CYS C 2.458 C A 0007 THR CA
C A 0006 CYS C 3.002 C A 0007 THR C
C A 0006 CYS C 3.740 C A 0007 THR CB
C A 0006 CYS CB 3.566 H A 0012 CYS CB
C A 0006 CYS C 3.743 C A 0030 LYS CE
C A 0007 THR C 2.478 H A 0008 GLY CA
C A 0007 THR C 3.692 H A 0008 GLY C
H A 0008 GLY C 2.485 H A 0009 THR CA
H A 0008 GLY C 2.979 H A 0009 THR C
H A 0008 GLY C 3.709 H A 0009 THR CB
H A 0009 THR C 2.444 H A 0010 LYS CA
H A 0009 THR C 3.112 H A 0010 LYS C
H A 0009 THR C 3.727 H A 0010 LYS CB
H A 0010 LYS C 2.435 H A 0011 ASP CA
H A 0010 LYS C 3.103 H A 0011 ASP C
H A 0010 LYS C 3.709 H A 0011 ASP CB
H A 0010 LYS CA 3.711 H A 0013 TYR CD2
H A 0010 LYS CA 3.743 H A 0013 TYR CE2
H A 0011 ASP C 2.482 H A 0012 CYS CA
H A 0011 ASP C 3.088 H A 0012 CYS C
H A 0011 ASP C 3.728 H A 0012 CYS CB
H A 0012 CYS C 2.445 H A 0013 TYR CA
H A 0012 CYS C 2.981 H A 0013 TYR C
H A 0012 CYS C 3.721 H A 0013 TYR CB
H A 0012 CYS C 3.735 H A 0015 PRO CD
H A 0013 TYR C 2.465 H A 0014 ILE CA
H A 0013 TYR C 3.049 H A 0014 ILE C
H A 0013 TYR C 3.766 H A 0014 ILE CB
H A 0013 TYR CG 3.705 C A 0023 PHE CE1
H A 0013 TYR CG 3.560 C A 0023 PHE CZ
H A 0013 TYR CD2 3.795 C A 0023 PHE CE1
H A 0013 TYR CD2 3.430 C A 0023 PHE CZ
H A 0013 TYR CE2 3.535 C A 0023 PHE CZ
H A 0013 TYR CZ 3.772 C A 0023 PHE CZ
H A 0014 ILE CA 3.113 H A 0015 PRO CD
H A 0014 ILE C 2.449 H A 0015 PRO CA
H A 0014 ILE C 3.064 H A 0015 PRO C
H A 0014 ILE C 3.684 H A 0015 PRO CB
H A 0014 ILE C 3.703 H A 0015 PRO CG
H A 0014 ILE C 2.545 H A 0015 PRO CD
H A 0014 ILE CB 3.287 H A 0015 PRO CD
H A 0015 PRO C 2.433 H A 0016 CYS CA
H A 0015 PRO C 2.963 H A 0016 CYS C
H A 0015 PRO C 3.744 H A 0016 CYS CB
H A 0016 CYS C 2.447 H A 0017 ARG CA
H A 0016 CYS C 3.091 H A 0017 ARG C
H A 0016 CYS C 3.701 H A 0017 ARG CB
H A 0017 ARG C 2.437 H A 0018 TYR CA
H A 0017 ARG C 3.183 H A 0018 TYR C
H A 0017 ARG C 3.711 H A 0018 TYR CB
H A 0017 ARG CZ 3.665 C A 0023 PHE CD1
H A 0018 TYR C 2.477 H A 0019 ILE CA
H A 0018 TYR C 3.284 H A 0019 ILE C
H A 0018 TYR C 3.679 H A 0019 ILE CB
H A 0019 ILE C 2.470 H A 0020 THR CA
H A 0019 ILE C 3.047 H A 0020 THR C
H A 0019 ILE C 3.706 H A 0020 THR CB
H A 0020 THR C 2.478 C A 0021 GLY CA
H A 0020 THR C 3.216 C A 0021 GLY C
H A 0020 THR CG2 3.748 C A 0022 CYS CB
H A 0020 THR CG2 3.771 E A 0034 CYS CB
C A 0021 GLY CA 3.792 C A 0022 CYS CA
C A 0021 GLY C 2.444 C A 0022 CYS CA
C A 0021 GLY C 3.029 C A 0022 CYS C
C A 0021 GLY C 3.683 C A 0022 CYS CB
C A 0022 CYS C 2.459 C A 0023 PHE CA
C A 0022 CYS C 3.392 C A 0023 PHE C
C A 0022 CYS C 3.618 C A 0023 PHE CB
C A 0022 CYS CB 3.239 C A 0036 GLY C
C A 0022 CYS CB 3.437 C A 0037 CYS CA
C A 0022 CYS CB 3.785 C A 0037 CYS CB
C A 0023 PHE C 2.493 C A 0024 ASN CA
C A 0023 PHE C 3.057 C A 0024 ASN C
C A 0023 PHE C 3.778 C A 0024 ASN CB
C A 0024 ASN C 2.475 E A 0025 SER CA
C A 0024 ASN C 3.683 E A 0025 SER C
C A 0024 ASN C 3.304 E A 0025 SER CB
C A 0024 ASN CG 3.569 C A 0035 TYR CD2
E A 0025 SER C 2.481 E A 0026 ARG CA
E A 0025 SER C 3.672 E A 0026 ARG C
E A 0025 SER C 3.222 E A 0026 ARG CB
E A 0026 ARG C 2.468 E A 0027 CYS CA
E A 0026 ARG C 3.312 E A 0027 CYS C
E A 0026 ARG C 3.663 E A 0027 CYS CB
E A 0027 CYS C 2.467 E A 0028 ILE CA
E A 0027 CYS C 3.588 E A 0028 ILE C
E A 0027 CYS C 3.291 E A 0028 ILE CB
E A 0028 ILE C 2.487 C A 0029 ASN CA
E A 0028 ILE C 2.957 C A 0029 ASN C
E A 0028 ILE C 3.246 C A 0029 ASN CB
E A 0028 ILE CG2 3.708 E A 0033 LYS CG
C A 0029 ASN C 2.522 C A 0030 LYS CA
C A 0029 ASN C 3.149 C A 0030 LYS C
C A 0029 ASN C 3.200 C A 0030 LYS CB
C A 0030 LYS C 2.472 E A 0031 SER CA
C A 0030 LYS C 3.331 E A 0031 SER C
C A 0030 LYS C 3.609 E A 0031 SER CB
E A 0031 SER C 2.439 E A 0032 CYS CA
E A 0031 SER C 3.067 E A 0032 CYS C
E A 0031 SER C 3.718 E A 0032 CYS CB
E A 0032 CYS C 2.480 E A 0033 LYS CA
E A 0032 CYS C 3.556 E A 0033 LYS C
E A 0032 CYS C 3.387 E A 0033 LYS CB
E A 0032 CYS C 3.478 E A 0033 LYS CG
E A 0033 LYS C 2.442 E A 0034 CYS CA
E A 0033 LYS C 3.276 E A 0034 CYS C
E A 0033 LYS C 3.646 E A 0034 CYS CB
E A 0034 CYS C 2.454 C A 0035 TYR CA
E A 0034 CYS C 3.206 C A 0035 TYR C
E A 0034 CYS C 3.673 C A 0035 TYR CB
C A 0035 TYR C 2.468 C A 0036 GLY CA
C A 0035 TYR C 3.375 C A 0036 GLY C
C A 0036 GLY CA 3.794 C A 0037 CYS CA
C A 0036 GLY C 2.430 C A 0037 CYS CA
C A 0036 GLY C 3.067 C A 0037 CYS C
C A 0036 GLY C 3.684 C A 0037 CYS CB
C A 0037 CYS C 2.459 C A 0038 THR CA
C A 0037 CYS C 2.945 C A 0038 THR C
C A 0037 CYS C 3.713 C A 0038 THR CB
CHARGE_ATTR 2.00 12.00 10
C A 0002 GLU OE1 7.384 C A 0005 ARG NH1
C A 0002 GLU OE1 5.947 C A 0005 ARG NH2
C A 0002 GLU OE2 8.245 C A 0005 ARG NH1
C A 0002 GLU OE2 7.165 C A 0005 ARG NH2
H A 0011 ASP OD1 9.994 H A 0010 LYS NZ
H A 0011 ASP OD2 11.51 H A 0010 LYS NZ
H A 0011 ASP OD1 11.52 H A 0017 ARG NH2
H A 0011 ASP OD2 11.96 H A 0017 ARG NH2
H A 0011 ASP OD1 9.186 C A 0030 LYS NZ
H A 0011 ASP OD2 7.948 C A 0030 LYS NZ
CHARGE_REPU 2.00 12.00 11
C A 0001 ASP OD1 9.615 C A 0002 GLU OE1
C A 0001 ASP OD1 10.39 C A 0002 GLU OE2
C A 0001 ASP OD2 8.304 C A 0002 GLU OE1
C A 0001 ASP OD2 9.214 C A 0002 GLU OE2
C A 0005 ARG NH1 8.421 C A 0030 LYS NZ
C A 0005 ARG NH2 8.640 C A 0030 LYS NZ
C A 0005 ARG NH1 9.225 E A 0033 LYS NZ
C A 0005 ARG NH2 11.21 E A 0033 LYS NZ
H A 0010 LYS NZ 10.52 H A 0017 ARG NH2
E A 0026 ARG NH1 9.935 E A 0033 LYS NZ
E A 0026 ARG NH2 11.76 E A 0033 LYS NZ
HB_MM 2.00 3.20 60
C A 0002 GLU N 2.242 C A 0001 ASP O
C A 0003 ALA N 2.266 C A 0002 GLU O
C A 0004 ILE N 2.247 C A 0003 ALA O
C A 0005 ARG N 2.257 C A 0004 ILE O
C A 0006 CYS N 2.260 C A 0005 ARG O
C A 0006 CYS N 2.780 C A 0030 LYS O
C A 0007 THR N 2.238 C A 0006 CYS O
H A 0008 GLY N 2.243 C A 0007 THR O
H A 0009 THR N 2.257 H A 0008 GLY O
H A 0010 LYS N 2.245 H A 0009 THR O
H A 0011 ASP N 2.979 H A 0008 GLY O
H A 0011 ASP N 2.249 H A 0010 LYS O
H A 0012 CYS N 3.094 H A 0008 GLY O
H A 0012 CYS N 3.084 H A 0009 THR O
H A 0012 CYS N 2.252 H A 0011 ASP O
H A 0013 TYR N 3.142 H A 0011 ASP O
H A 0013 TYR N 2.254 H A 0012 CYS O
H A 0014 ILE N 2.929 H A 0011 ASP O
H A 0014 ILE N 3.132 H A 0012 CYS O
H A 0014 ILE N 2.251 H A 0013 TYR O
H A 0015 PRO N 2.250 H A 0014 ILE O
H A 0016 CYS N 3.038 H A 0012 CYS O
H A 0016 CYS N 2.250 H A 0015 PRO O
H A 0017 ARG N 2.868 H A 0013 TYR O
H A 0017 ARG N 3.196 H A 0014 ILE O
H A 0017 ARG N 2.241 H A 0016 CYS O
H A 0018 TYR N 2.778 H A 0014 ILE O
H A 0018 TYR N 2.237 H A 0017 ARG O
H A 0019 ILE N 2.782 H A 0015 PRO O
H A 0019 ILE N 2.246 H A 0018 TYR O
H A 0020 THR N 2.846 H A 0016 CYS O
H A 0020 THR N 2.246 H A 0019 ILE O
C A 0021 GLY N 2.880 H A 0016 CYS O
C A 0021 GLY N 2.247 H A 0020 THR O
C A 0022 CYS N 2.930 H A 0020 THR O
C A 0022 CYS N 2.254 C A 0021 GLY O
C A 0023 PHE N 2.252 C A 0022 CYS O
C A 0024 ASN N 2.253 C A 0023 PHE O
E A 0025 SER N 2.900 C A 0023 PHE O
E A 0025 SER N 2.256 C A 0024 ASN O
E A 0026 ARG N 2.260 E A 0025 SER O
E A 0026 ARG N 2.781 E A 0033 LYS O
E A 0027 CYS N 2.256 E A 0026 ARG O
E A 0028 ILE N 2.248 E A 0027 CYS O
E A 0028 ILE N 2.780 E A 0031 SER O
C A 0029 ASN N 2.228 E A 0028 ILE O
C A 0030 LYS N 2.249 C A 0029 ASN O
E A 0031 SER N 2.748 E A 0028 ILE O
E A 0031 SER N 2.869 C A 0029 ASN O
E A 0031 SER N 2.213 C A 0030 LYS O
E A 0032 CYS N 2.898 C A 0004 ILE O
E A 0032 CYS N 2.252 E A 0031 SER O
E A 0033 LYS N 2.774 E A 0026 ARG O
E A 0033 LYS N 2.262 E A 0032 CYS O
E A 0034 CYS N 2.252 E A 0033 LYS O
C A 0035 TYR N 2.779 C A 0024 ASN O
C A 0035 TYR N 2.244 E A 0034 CYS O
C A 0036 GLY N 2.253 C A 0035 TYR O
C A 0037 CYS N 2.242 C A 0036 GLY O
C A 0038 THR N 2.255 C A 0037 CYS O
HB_MS 2.00 3.20 3
C A 0023 PHE O 2.711 E A 0025 SER OG
E A 0027 CYS O 2.950 E A 0026 ARG NH1
C A 0029 ASN O 2.795 E A 0031 SER OG
HB_SS 2.00 3.20 1
C A 0005 ARG NH1 2.801 E A 0031 SER OG
AROMATIC 0.00 8.00 2
H A 0010 LYS 7.798 H A 0013 TYR
H A 0017 ARG 4.590 C A 0023 PHE
SS_BOND 1.50 2.80 4
C A 0006 CYS SG 2.034 E A 0027 CYS SG
H A 0012 CYS SG 2.036 E A 0032 CYS SG
H A 0016 CYS SG 2.033 E A 0034 CYS SG
C A 0022 CYS SG 2.034 C A 0037 CYS SG