Complet list of 2pta con file
Complete list of 2pta.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 140
C A 0004 THR C 2.424 C A 0005 ILE CA
C A 0004 THR C 3.454 C A 0005 ILE C
C A 0004 THR C 3.500 C A 0005 ILE CB
C A 0004 THR C 3.433 C A 0005 ILE CG1
C A 0005 ILE C 2.425 C A 0006 SER CA
C A 0005 ILE C 3.358 C A 0006 SER C
C A 0005 ILE C 3.560 C A 0006 SER CB
C A 0005 ILE CD1 2.852 H A 0016 HIS CD2
C A 0006 SER C 2.416 C A 0007 CYS CA
C A 0006 SER C 3.580 C A 0007 CYS C
C A 0006 SER C 3.322 C A 0007 CYS CB
C A 0007 CYS C 2.420 C A 0008 THR CA
C A 0007 CYS C 3.172 C A 0008 THR C
C A 0007 CYS C 3.652 C A 0008 THR CB
C A 0008 THR C 2.430 C A 0009 ASN CA
C A 0008 THR C 3.626 C A 0009 ASN C
C A 0008 THR C 3.254 C A 0009 ASN CB
C A 0008 THR C 3.076 C A 0009 ASN CG
C A 0009 ASN CA 2.791 C A 0010 PRO CD
C A 0009 ASN C 2.439 C A 0010 PRO CA
C A 0009 ASN C 3.154 C A 0010 PRO C
C A 0009 ASN C 3.604 C A 0010 PRO CB
C A 0009 ASN C 3.645 C A 0010 PRO CG
C A 0009 ASN C 2.452 C A 0010 PRO CD
C A 0009 ASN CB 3.206 C A 0010 PRO CD
C A 0009 ASN C 3.701 E A 0028 CYS CB
C A 0010 PRO C 2.426 H A 0011 LYS CA
C A 0010 PRO C 2.935 H A 0011 LYS C
C A 0010 PRO C 3.694 H A 0011 LYS CB
C A 0010 PRO C 3.471 H A 0014 TYR CD1
C A 0010 PRO CB 3.568 H A 0014 TYR CE1
H A 0011 LYS C 2.423 H A 0012 GLN CA
H A 0011 LYS C 3.154 H A 0012 GLN C
H A 0011 LYS C 3.666 H A 0012 GLN CB
H A 0011 LYS C 3.540 H A 0015 PRO CD
H A 0012 GLN C 2.419 H A 0013 CYS CA
H A 0012 GLN C 3.091 H A 0013 CYS C
H A 0012 GLN C 3.676 H A 0013 CYS CB
H A 0012 GLN C 3.489 H A 0015 PRO CD
H A 0013 CYS C 2.416 H A 0014 TYR CA
H A 0013 CYS C 3.020 H A 0014 TYR C
H A 0013 CYS C 3.681 H A 0014 TYR CB
H A 0013 CYS C 3.699 H A 0015 PRO CD
H A 0013 CYS C 3.653 E A 0026 ALA CB
H A 0013 CYS CB 3.457 E A 0026 ALA CB
H A 0014 TYR CA 2.823 H A 0015 PRO CD
H A 0014 TYR C 2.439 H A 0015 PRO CA
H A 0014 TYR C 3.153 H A 0015 PRO C
H A 0014 TYR C 3.615 H A 0015 PRO CB
H A 0014 TYR C 3.664 H A 0015 PRO CG
H A 0014 TYR C 2.467 H A 0015 PRO CD
H A 0014 TYR CB 2.897 H A 0015 PRO CD
H A 0015 PRO C 2.417 H A 0016 HIS CA
H A 0015 PRO C 2.911 H A 0016 HIS C
H A 0015 PRO C 3.692 H A 0016 HIS CB
H A 0015 PRO CA 3.709 H A 0018 LYS CB
H A 0015 PRO C 3.771 H A 0018 LYS CB
H A 0016 HIS C 2.418 H A 0017 CYS CA
H A 0016 HIS C 3.146 H A 0017 CYS C
H A 0016 HIS C 3.663 H A 0017 CYS CB
H A 0016 HIS CE1 3.751 H A 0020 GLU CG
H A 0016 HIS CE1 3.590 H A 0020 GLU CD
H A 0017 CYS C 2.419 H A 0018 LYS CA
H A 0017 CYS C 2.908 H A 0018 LYS C
H A 0017 CYS C 3.690 H A 0018 LYS CB
H A 0018 LYS C 2.421 H A 0019 LYS CA
H A 0018 LYS C 3.475 H A 0019 LYS C
H A 0018 LYS C 3.459 H A 0019 LYS CB
H A 0018 LYS C 3.792 C A 0022 GLY CA
H A 0018 LYS CA 3.705 C A 0024 PRO CA
H A 0018 LYS CB 3.635 C A 0024 PRO CB
H A 0018 LYS CG 3.639 C A 0024 PRO CB
H A 0018 LYS CE 3.689 C A 0024 PRO CB
H A 0018 LYS CE 3.750 C A 0024 PRO CG
H A 0019 LYS C 2.419 H A 0020 GLU CA
H A 0019 LYS C 2.939 H A 0020 GLU C
H A 0019 LYS C 3.693 H A 0020 GLU CB
H A 0020 GLU C 2.420 H A 0021 THR CA
H A 0020 GLU C 3.496 H A 0021 THR C
H A 0020 GLU C 3.434 H A 0021 THR CB
H A 0021 THR C 2.420 C A 0022 GLY CA
H A 0021 THR C 3.216 C A 0022 GLY C
C A 0022 GLY C 2.420 C A 0023 TYR CA
C A 0022 GLY C 3.193 C A 0023 TYR C
C A 0022 GLY C 3.648 C A 0023 TYR CB
C A 0023 TYR CA 2.807 C A 0024 PRO CD
C A 0023 TYR C 2.438 C A 0024 PRO CA
C A 0023 TYR C 3.148 C A 0024 PRO C
C A 0023 TYR C 3.605 C A 0024 PRO CB
C A 0023 TYR C 3.650 C A 0024 PRO CG
C A 0023 TYR C 2.456 C A 0024 PRO CD
C A 0024 PRO C 2.422 C A 0025 ASN CA
C A 0024 PRO C 2.981 C A 0025 ASN C
C A 0024 PRO C 3.694 C A 0025 ASN CB
C A 0025 ASN C 2.422 E A 0026 ALA CA
C A 0025 ASN C 3.541 E A 0026 ALA C
C A 0025 ASN C 3.386 E A 0026 ALA CB
C A 0025 ASN C 3.520 C A 0036 PHE CD1
C A 0025 ASN CB 3.523 C A 0036 PHE CG
C A 0025 ASN CB 3.455 C A 0036 PHE CD2
E A 0026 ALA C 2.423 E A 0027 LYS CA
E A 0026 ALA C 3.282 E A 0027 LYS C
E A 0026 ALA C 3.605 E A 0027 LYS CB
E A 0026 ALA CA 3.662 E A 0035 CYS CA
E A 0026 ALA CB 3.538 E A 0035 CYS CA
E A 0027 LYS C 2.423 E A 0028 CYS CA
E A 0027 LYS C 3.579 E A 0028 CYS C
E A 0027 LYS C 3.332 E A 0028 CYS CB
E A 0028 CYS C 2.424 C A 0029 MET CA
E A 0028 CYS C 3.548 C A 0029 MET C
E A 0028 CYS C 3.373 C A 0029 MET CB
E A 0028 CYS C 3.398 C A 0029 MET CG
C A 0029 MET C 2.421 C A 0030 ASN CA
C A 0029 MET C 2.882 C A 0030 ASN C
C A 0029 MET C 3.691 C A 0030 ASN CB
C A 0030 ASN C 2.422 C A 0031 ARG CA
C A 0030 ASN C 2.927 C A 0031 ARG C
C A 0030 ASN C 2.994 C A 0031 ARG CB
C A 0031 ARG C 2.423 C A 0032 LYS CA
C A 0031 ARG C 3.610 C A 0032 LYS C
C A 0031 ARG C 3.276 C A 0032 LYS CB
C A 0031 ARG C 3.586 C A 0032 LYS CG
C A 0032 LYS C 2.421 E A 0033 CYS CA
C A 0032 LYS C 3.634 E A 0033 CYS C
C A 0032 LYS C 3.231 E A 0033 CYS CB
E A 0033 CYS C 2.427 E A 0034 LYS CA
E A 0033 CYS C 3.458 E A 0034 LYS C
E A 0033 CYS C 3.482 E A 0034 LYS CB
E A 0034 LYS C 2.423 E A 0035 CYS CA
E A 0034 LYS C 3.001 E A 0035 CYS C
E A 0034 LYS C 3.689 E A 0035 CYS CB
E A 0035 CYS C 2.426 C A 0036 PHE CA
E A 0035 CYS C 3.285 C A 0036 PHE C
E A 0035 CYS C 3.609 C A 0036 PHE CB
E A 0035 CYS C 3.452 C A 0036 PHE CD1
C A 0036 PHE C 2.422 C A 0037 GLY CA
C A 0036 PHE C 3.632 C A 0037 GLY C
C A 0037 GLY C 2.418 C A 0038 ARG CA
C A 0037 GLY C 3.051 C A 0038 ARG C
C A 0037 GLY C 3.684 C A 0038 ARG CB
CHARGE_ATTR 2.00 12.00 10
H A 0020 GLU OE1 4.997 H A 0016 HIS ND1
H A 0020 GLU OE1 3.502 H A 0016 HIS NE2
H A 0020 GLU OE2 4.455 H A 0016 HIS ND1
H A 0020 GLU OE2 3.606 H A 0016 HIS NE2
H A 0020 GLU OE1 9.193 H A 0019 LYS NZ
H A 0020 GLU OE2 7.743 H A 0019 LYS NZ
H A 0020 GLU OE1 8.341 C A 0038 ARG NH1
H A 0020 GLU OE1 7.740 C A 0038 ARG NH2
H A 0020 GLU OE2 10.28 C A 0038 ARG NH1
H A 0020 GLU OE2 9.483 C A 0038 ARG NH2
CHARGE_REPU 2.00 12.00 11
H A 0011 LYS NZ 8.008 H A 0018 LYS NZ
H A 0016 HIS ND1 5.875 H A 0019 LYS NZ
H A 0016 HIS NE2 7.871 H A 0019 LYS NZ
H A 0016 HIS NE2 10.25 C A 0038 ARG NH1
H A 0016 HIS NE2 10.23 C A 0038 ARG NH2
H A 0018 LYS NZ 9.943 H A 0019 LYS NZ
E A 0027 LYS NZ 9.061 E A 0034 LYS NZ
C A 0032 LYS NZ 9.136 E A 0034 LYS NZ
C A 0032 LYS NZ 8.062 C A 0038 ARG NH1
C A 0032 LYS NZ 10.19 C A 0038 ARG NH2
E A 0034 LYS NZ 11.29 C A 0038 ARG NH1
HB_MM 2.00 3.20 54
C A 0005 ILE N 2.196 C A 0004 THR O
C A 0006 SER N 2.199 C A 0005 ILE O
C A 0007 CYS N 2.195 C A 0006 SER O
C A 0008 THR N 2.194 C A 0007 CYS O
C A 0009 ASN N 2.201 C A 0008 THR O
C A 0010 PRO N 2.224 C A 0009 ASN O
H A 0011 LYS N 2.195 C A 0010 PRO O
H A 0012 GLN N 2.796 C A 0010 PRO O
H A 0012 GLN N 2.196 H A 0011 LYS O
H A 0013 CYS N 3.031 C A 0010 PRO O
H A 0013 CYS N 2.198 H A 0012 GLN O
H A 0014 TYR N 2.749 C A 0010 PRO O
H A 0014 TYR N 3.149 H A 0012 GLN O
H A 0014 TYR N 2.199 H A 0013 CYS O
H A 0015 PRO N 2.226 H A 0014 TYR O
H A 0016 HIS N 2.190 H A 0015 PRO O
H A 0017 CYS N 3.130 H A 0015 PRO O
H A 0017 CYS N 2.196 H A 0016 HIS O
H A 0018 LYS N 3.032 H A 0014 TYR O
H A 0018 LYS N 2.909 H A 0015 PRO O
H A 0018 LYS N 2.195 H A 0017 CYS O
H A 0019 LYS N 2.689 H A 0017 CYS O
H A 0019 LYS N 2.196 H A 0018 LYS O
H A 0020 GLU N 3.183 H A 0016 HIS O
H A 0020 GLU N 2.194 H A 0019 LYS O
H A 0021 THR N 3.118 H A 0017 CYS O
H A 0021 THR N 2.196 H A 0020 GLU O
C A 0022 GLY N 3.057 H A 0017 CYS O
C A 0022 GLY N 2.196 H A 0021 THR O
C A 0023 TYR N 3.100 H A 0021 THR O
C A 0023 TYR N 2.195 C A 0022 GLY O
C A 0024 PRO N 2.223 C A 0023 TYR O
C A 0025 ASN N 2.194 C A 0024 PRO O
E A 0026 ALA N 2.599 C A 0024 PRO O
E A 0026 ALA N 2.197 C A 0025 ASN O
E A 0027 LYS N 2.197 E A 0026 ALA O
E A 0027 LYS N 3.108 E A 0034 LYS O
E A 0028 CYS N 2.195 E A 0027 LYS O
C A 0029 MET N 2.197 E A 0028 CYS O
C A 0029 MET N 3.058 C A 0032 LYS O
C A 0030 ASN N 2.197 C A 0029 MET O
C A 0031 ARG N 2.423 C A 0029 MET O
C A 0031 ARG N 2.196 C A 0030 ASN O
C A 0032 LYS N 2.991 C A 0029 MET O
C A 0032 LYS N 3.179 C A 0030 ASN O
C A 0032 LYS N 2.197 C A 0031 ARG O
E A 0033 CYS N 2.195 C A 0032 LYS O
E A 0034 LYS N 3.010 E A 0027 LYS O
E A 0034 LYS N 2.198 E A 0033 CYS O
E A 0035 CYS N 2.196 E A 0034 LYS O
C A 0036 PHE N 2.967 C A 0025 ASN O
C A 0036 PHE N 2.199 E A 0035 CYS O
C A 0037 GLY N 2.195 C A 0036 PHE O
C A 0038 ARG N 2.196 C A 0037 GLY O
HB_MS 2.00 3.20 1
C A 0037 GLY O 2.957 H A 0021 THR OG1
HB_SS 2.00 3.20 1
C A 0009 ASN ND2 2.965 C A 0008 THR OG1
AROMATIC 0.00 8.00 3
H A 0011 LYS 6.903 H A 0014 TYR
H A 0019 LYS 7.048 H A 0016 HIS
E A 0027 LYS 7.114 C A 0036 PHE
SS_BOND 1.50 2.80 3
C A 0007 CYS SG 2.021 E A 0028 CYS SG
H A 0013 CYS SG 2.021 E A 0033 CYS SG
H A 0017 CYS SG 2.017 E A 0035 CYS SG