Complet list of 2aqa con file
Complete list of 2aqa.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 213
C A 0002 HIS C 2.434 C A 0003 LEU CA
C A 0002 HIS C 3.087 C A 0003 LEU C
C A 0002 HIS C 3.704 C A 0003 LEU CB
C A 0003 LEU C 2.433 C A 0004 MET CA
C A 0003 LEU C 3.376 C A 0004 MET C
C A 0003 LEU C 3.577 C A 0004 MET CB
C A 0003 LEU C 3.781 C A 0004 MET CG
C A 0004 MET C 2.434 C A 0005 TYR CA
C A 0004 MET C 3.703 C A 0005 TYR C
C A 0004 MET C 3.098 C A 0005 TYR CB
C A 0004 MET C 3.659 C A 0005 TYR CG
C A 0004 MET C 3.438 C A 0005 TYR CD1
C A 0004 MET CA 3.710 C A 0017 LEU CG
C A 0004 MET CA 3.681 C A 0017 LEU CD2
C A 0004 MET CB 3.561 C A 0017 LEU CG
C A 0004 MET CB 3.661 C A 0017 LEU CD1
C A 0004 MET CB 3.565 C A 0017 LEU CD2
C A 0004 MET CG 3.703 C A 0017 LEU CD2
C A 0005 TYR C 2.434 E A 0006 THR CA
C A 0005 TYR C 3.264 E A 0006 THR C
C A 0005 TYR C 3.669 E A 0006 THR CB
C A 0005 TYR CD2 3.791 E A 0007 LEU CD2
C A 0005 TYR CE2 3.619 E A 0007 LEU CD2
C A 0005 TYR CD2 3.551 E A 0013 ARG CB
C A 0005 TYR CE2 3.779 E A 0013 ARG CB
C A 0005 TYR CE2 3.642 E A 0013 ARG CG
C A 0005 TYR CE2 3.612 E A 0013 ARG CD
C A 0005 TYR CB 3.630 E A 0014 ILE C
E A 0006 THR C 2.434 E A 0007 LEU CA
E A 0006 THR C 3.273 E A 0007 LEU C
E A 0006 THR C 3.639 E A 0007 LEU CB
E A 0007 LEU CA 3.791 C A 0008 GLY CA
E A 0007 LEU C 2.418 C A 0008 GLY CA
E A 0007 LEU C 3.313 C A 0008 GLY C
E A 0007 LEU CD2 3.554 E A 0013 ARG CA
E A 0007 LEU CD2 3.733 E A 0013 ARG CG
C A 0008 GLY CA 2.866 C A 0009 PRO CD
C A 0008 GLY C 2.464 C A 0009 PRO CA
C A 0008 GLY C 3.136 C A 0009 PRO C
C A 0008 GLY C 3.645 C A 0009 PRO CB
C A 0008 GLY C 3.635 C A 0009 PRO CG
C A 0008 GLY C 2.498 C A 0009 PRO CD
C A 0009 PRO C 2.434 C A 0010 ASP CA
C A 0009 PRO C 3.408 C A 0010 ASP C
C A 0009 PRO C 3.552 C A 0010 ASP CB
C A 0010 ASP CA 3.792 C A 0011 GLY CA
C A 0010 ASP C 2.418 C A 0011 GLY CA
C A 0010 ASP C 3.479 C A 0011 GLY C
C A 0011 GLY CA 3.796 C A 0012 LYS CA
C A 0011 GLY C 2.433 C A 0012 LYS CA
C A 0011 GLY C 3.194 C A 0012 LYS C
C A 0011 GLY C 3.674 C A 0012 LYS CB
C A 0012 LYS C 2.434 E A 0013 ARG CA
C A 0012 LYS C 3.123 E A 0013 ARG C
C A 0012 LYS C 3.695 E A 0013 ARG CB
E A 0013 ARG C 2.432 E A 0014 ILE CA
E A 0013 ARG C 3.634 E A 0014 ILE C
E A 0013 ARG C 3.310 E A 0014 ILE CB
E A 0013 ARG C 3.185 E A 0014 ILE CG1
E A 0014 ILE C 2.434 C A 0015 TYR CA
E A 0014 ILE C 3.009 C A 0015 TYR C
E A 0014 ILE C 3.714 C A 0015 TYR CB
E A 0014 ILE CG2 3.575 C A 0016 THR CG2
C A 0015 TYR C 2.434 C A 0016 THR CA
C A 0015 TYR C 3.606 C A 0016 THR C
C A 0015 TYR C 3.361 C A 0016 THR CB
C A 0015 TYR C 3.474 C A 0016 THR CG2
C A 0016 THR C 2.435 C A 0017 LEU CA
C A 0016 THR C 2.934 C A 0017 LEU C
C A 0016 THR C 3.712 C A 0017 LEU CB
C A 0017 LEU C 2.434 C A 0018 LYS CA
C A 0017 LEU C 2.960 C A 0018 LYS C
C A 0017 LEU C 3.045 C A 0018 LYS CB
C A 0017 LEU CD2 3.674 C A 0019 LYS CD
C A 0018 LYS C 2.434 C A 0019 LYS CA
C A 0018 LYS C 2.997 C A 0019 LYS C
C A 0018 LYS C 3.715 C A 0019 LYS CB
C A 0019 LYS C 2.434 C A 0020 VAL CA
C A 0019 LYS C 3.204 C A 0020 VAL C
C A 0019 LYS C 3.693 C A 0020 VAL CB
C A 0020 VAL C 2.434 C A 0021 THR CA
C A 0020 VAL C 2.969 C A 0021 THR C
C A 0020 VAL C 3.737 C A 0021 THR CB
C A 0021 THR C 2.434 C A 0022 GLU CA
C A 0021 THR C 3.344 C A 0022 GLU C
C A 0021 THR C 3.598 C A 0022 GLU CB
C A 0022 GLU C 2.435 C A 0023 SER CA
C A 0022 GLU C 3.572 C A 0023 SER C
C A 0022 GLU C 3.383 C A 0023 SER CB
C A 0023 SER CA 3.790 C A 0024 GLY CA
C A 0023 SER C 2.417 C A 0024 GLY CA
C A 0023 SER C 3.666 C A 0024 GLY C
C A 0024 GLY CA 3.796 C A 0025 GLU CA
C A 0024 GLY C 2.433 C A 0025 GLU CA
C A 0024 GLY C 3.149 C A 0025 GLU C
C A 0024 GLY C 3.690 C A 0025 GLU CB
C A 0025 GLU C 2.433 C A 0026 ILE CA
C A 0025 GLU C 3.087 C A 0026 ILE C
C A 0025 GLU C 3.727 C A 0026 ILE CB
C A 0026 ILE C 2.434 C A 0027 THR CA
C A 0026 ILE C 3.083 C A 0027 THR C
C A 0026 ILE C 3.728 C A 0027 THR CB
C A 0027 THR C 2.433 C A 0028 LYS CA
C A 0027 THR C 3.090 C A 0028 LYS C
C A 0027 THR C 3.703 C A 0028 LYS CB
C A 0028 LYS C 2.434 C A 0029 SER CA
C A 0028 LYS C 3.259 C A 0029 SER C
C A 0028 LYS C 3.646 C A 0029 SER CB
C A 0029 SER C 2.433 C A 0030 ALA CA
C A 0029 SER C 2.962 C A 0030 ALA C
C A 0029 SER C 3.045 C A 0030 ALA CB
C A 0030 ALA C 2.434 C A 0031 HIS CA
C A 0030 ALA C 3.069 C A 0031 HIS C
C A 0030 ALA C 3.707 C A 0031 HIS CB
C A 0031 HIS CA 2.867 C A 0032 PRO CD
C A 0031 HIS C 2.465 C A 0032 PRO CA
C A 0031 HIS C 3.136 C A 0032 PRO C
C A 0031 HIS C 3.645 C A 0032 PRO CB
C A 0031 HIS C 3.636 C A 0032 PRO CG
C A 0031 HIS C 2.499 C A 0032 PRO CD
C A 0031 HIS CB 3.230 C A 0032 PRO CD
C A 0031 HIS CG 3.512 C A 0032 PRO CD
C A 0032 PRO C 2.433 C A 0033 ALA CA
C A 0032 PRO C 3.240 C A 0033 ALA C
C A 0032 PRO C 3.645 C A 0033 ALA CB
C A 0033 ALA C 2.434 C A 0034 ARG CA
C A 0033 ALA C 2.934 C A 0034 ARG C
C A 0033 ALA C 3.712 C A 0034 ARG CB
C A 0034 ARG C 2.435 C A 0035 PHE CA
C A 0034 ARG C 3.256 C A 0035 PHE C
C A 0034 ARG C 3.648 C A 0035 PHE CB
C A 0035 PHE C 2.434 C A 0036 SER CA
C A 0035 PHE C 3.709 C A 0036 SER C
C A 0035 PHE C 3.069 C A 0036 SER CB
C A 0036 SER CA 2.866 C A 0037 PRO CD
C A 0036 SER C 2.463 C A 0037 PRO CA
C A 0036 SER C 3.136 C A 0037 PRO C
C A 0036 SER C 3.646 C A 0037 PRO CB
C A 0036 SER C 3.635 C A 0037 PRO CG
C A 0036 SER C 2.499 C A 0037 PRO CD
C A 0037 PRO C 2.434 C A 0038 ASP CA
C A 0037 PRO C 3.579 C A 0038 ASP C
C A 0037 PRO C 3.369 C A 0038 ASP CB
C A 0038 ASP C 2.434 C A 0039 ASP CA
C A 0038 ASP C 3.211 C A 0039 ASP C
C A 0038 ASP C 3.666 C A 0039 ASP CB
C A 0039 ASP C 2.435 C A 0040 LYS CA
C A 0039 ASP C 3.053 C A 0040 LYS C
C A 0039 ASP C 3.711 C A 0040 LYS CB
C A 0039 ASP CA 3.708 C A 0041 TYR CD1
C A 0039 ASP C 3.500 C A 0041 TYR CD1
C A 0040 LYS C 2.433 C A 0041 TYR CA
C A 0040 LYS C 2.931 C A 0041 TYR C
C A 0040 LYS C 3.710 C A 0041 TYR CB
C A 0041 TYR C 2.434 H A 0042 SER CA
C A 0041 TYR C 3.076 H A 0042 SER C
C A 0041 TYR C 3.707 H A 0042 SER CB
H A 0042 SER C 2.434 H A 0043 ARG CA
H A 0042 SER C 3.067 H A 0043 ARG C
H A 0042 SER C 3.707 H A 0043 ARG CB
H A 0043 ARG C 2.433 H A 0044 GLN CA
H A 0043 ARG C 3.037 H A 0044 GLN C
H A 0043 ARG C 3.710 H A 0044 GLN CB
H A 0044 GLN C 2.433 H A 0045 ARG CA
H A 0044 GLN C 2.998 H A 0045 ARG C
H A 0044 GLN C 3.714 H A 0045 ARG CB
H A 0045 ARG C 2.434 H A 0046 VAL CA
H A 0045 ARG C 3.140 H A 0046 VAL C
H A 0045 ARG C 3.716 H A 0046 VAL CB
H A 0046 VAL C 2.434 H A 0047 THR CA
H A 0046 VAL C 2.982 H A 0047 THR C
H A 0046 VAL C 3.738 H A 0047 THR CB
H A 0047 THR C 2.434 C A 0048 LEU CA
H A 0047 THR C 2.957 C A 0048 LEU C
H A 0047 THR C 3.713 C A 0048 LEU CB
C A 0048 LEU C 2.434 C A 0049 LYS CA
C A 0048 LEU C 2.961 C A 0049 LYS C
C A 0048 LEU C 3.715 C A 0049 LYS CB
C A 0049 LYS C 2.435 C A 0050 LYS CA
C A 0049 LYS C 3.363 C A 0050 LYS C
C A 0049 LYS C 3.586 C A 0050 LYS CB
C A 0050 LYS C 2.434 C A 0051 ARG CA
C A 0050 LYS C 3.317 C A 0051 ARG C
C A 0050 LYS C 3.614 C A 0051 ARG CB
C A 0051 ARG C 2.434 C A 0052 PHE CA
C A 0051 ARG C 2.935 C A 0052 PHE C
C A 0051 ARG C 3.073 C A 0052 PHE CB
C A 0051 ARG C 3.534 C A 0052 PHE CG
C A 0052 PHE CA 3.792 C A 0053 GLY CA
C A 0052 PHE C 2.419 C A 0053 GLY CA
C A 0052 PHE C 3.217 C A 0053 GLY C
C A 0053 GLY CA 3.796 C A 0054 LEU CA
C A 0053 GLY C 2.434 C A 0054 LEU CA
C A 0053 GLY C 3.184 C A 0054 LEU C
C A 0053 GLY C 3.677 C A 0054 LEU CB
C A 0054 LEU C 2.435 C A 0055 VAL CA
C A 0054 LEU C 3.594 C A 0055 VAL C
C A 0054 LEU C 3.381 C A 0055 VAL CB
C A 0054 LEU C 3.269 C A 0055 VAL CG2
C A 0054 LEU C 3.465 C A 0056 PRO CD
C A 0055 VAL CA 2.865 C A 0056 PRO CD
C A 0055 VAL C 2.464 C A 0056 PRO CA
C A 0055 VAL C 3.137 C A 0056 PRO C
C A 0055 VAL C 3.645 C A 0056 PRO CB
C A 0055 VAL C 3.635 C A 0056 PRO CG
C A 0055 VAL C 2.497 C A 0056 PRO CD
C A 0056 PRO CA 3.792 C A 0057 GLY CA
C A 0056 PRO C 2.419 C A 0057 GLY CA
C A 0056 PRO C 3.715 C A 0057 GLY C
C A 0057 GLY CA 3.795 C A 0058 GLN CA
C A 0057 GLY C 2.433 C A 0058 GLN CA
C A 0057 GLY C 3.140 C A 0058 GLN C
C A 0057 GLY C 3.691 C A 0058 GLN CB
CHARGE_ATTR 2.00 12.00 19
C A 0010 ASP OD1 7.412 C A 0012 LYS NZ
C A 0010 ASP OD2 5.368 C A 0012 LYS NZ
C A 0010 ASP OD2 11.73 E A 0013 ARG NH2
C A 0025 GLU OE1 6.739 C A 0028 LYS NZ
C A 0025 GLU OE2 5.335 C A 0028 LYS NZ
C A 0025 GLU OE1 11.15 C A 0031 HIS NE2
C A 0025 GLU OE2 10.77 C A 0031 HIS ND1
C A 0025 GLU OE2 9.009 C A 0031 HIS NE2
C A 0038 ASP OD1 8.733 C A 0040 LYS NZ
C A 0038 ASP OD2 7.464 C A 0040 LYS NZ
C A 0038 ASP OD2 10.72 H A 0045 ARG NH1
C A 0039 ASP OD1 11.18 C A 0034 ARG NH1
C A 0039 ASP OD1 11.35 C A 0034 ARG NH2
C A 0039 ASP OD1 11.21 C A 0040 LYS NZ
C A 0039 ASP OD2 11.26 C A 0040 LYS NZ
C A 0039 ASP OD1 10.10 H A 0045 ARG NH1
C A 0039 ASP OD1 11.95 H A 0045 ARG NH2
C A 0039 ASP OD2 9.576 H A 0045 ARG NH1
C A 0039 ASP OD2 11.53 H A 0045 ARG NH2
CHARGE_REPU 2.00 12.00 19
C A 0002 HIS ND1 11.82 E A 0013 ARG NH2
C A 0012 LYS NZ 11.46 E A 0013 ARG NH1
C A 0012 LYS NZ 11.90 E A 0013 ARG NH2
C A 0028 LYS NZ 8.537 C A 0031 HIS ND1
C A 0028 LYS NZ 6.562 C A 0031 HIS NE2
C A 0034 ARG NH2 11.57 H A 0043 ARG NH1
C A 0038 ASP OD1 6.160 C A 0039 ASP OD1
C A 0038 ASP OD1 5.021 C A 0039 ASP OD2
C A 0038 ASP OD2 6.181 C A 0039 ASP OD1
C A 0038 ASP OD2 5.007 C A 0039 ASP OD2
H A 0043 ARG NH1 9.811 C A 0050 LYS NZ
H A 0043 ARG NH2 7.984 C A 0050 LYS NZ
H A 0045 ARG NH1 9.218 C A 0049 LYS NZ
H A 0045 ARG NH2 7.345 C A 0049 LYS NZ
H A 0045 ARG NH2 11.86 C A 0050 LYS NZ
H A 0045 ARG NH1 11.84 C A 0051 ARG NH1
H A 0045 ARG NH2 10.80 C A 0051 ARG NH1
C A 0049 LYS NZ 6.937 C A 0051 ARG NH1
C A 0049 LYS NZ 8.451 C A 0051 ARG NH2
HB_MM 2.00 3.20 70
C A 0003 LEU N 2.250 C A 0002 HIS O
C A 0004 MET N 2.250 C A 0003 LEU O
C A 0005 TYR N 2.251 C A 0004 MET O
E A 0006 THR N 2.249 C A 0005 TYR O
E A 0006 THR N 2.830 E A 0014 ILE O
E A 0007 LEU N 2.250 E A 0006 THR O
C A 0008 GLY N 2.249 E A 0007 LEU O
C A 0008 GLY N 2.819 C A 0012 LYS O
C A 0009 PRO N 2.253 C A 0008 GLY O
C A 0010 ASP N 3.192 C A 0008 GLY O
C A 0010 ASP N 2.250 C A 0009 PRO O
C A 0011 GLY N 2.250 C A 0010 ASP O
C A 0012 LYS N 2.250 C A 0011 GLY O
E A 0013 ARG N 2.251 C A 0012 LYS O
E A 0014 ILE N 2.809 E A 0006 THR O
E A 0014 ILE N 2.251 E A 0013 ARG O
C A 0015 TYR N 2.249 E A 0014 ILE O
C A 0016 THR N 2.749 E A 0014 ILE O
C A 0016 THR N 2.251 C A 0015 TYR O
C A 0017 LEU N 2.250 C A 0016 THR O
C A 0018 LYS N 3.198 C A 0016 THR O
C A 0018 LYS N 2.249 C A 0017 LEU O
C A 0019 LYS N 3.109 C A 0017 LEU O
C A 0019 LYS N 2.248 C A 0018 LYS O
C A 0020 VAL N 2.250 C A 0019 LYS O
C A 0021 THR N 2.250 C A 0020 VAL O
C A 0022 GLU N 2.250 C A 0021 THR O
C A 0023 SER N 2.250 C A 0022 GLU O
C A 0024 GLY N 2.250 C A 0023 SER O
C A 0025 GLU N 2.250 C A 0024 GLY O
C A 0026 ILE N 2.251 C A 0025 GLU O
C A 0027 THR N 2.249 C A 0026 ILE O
C A 0028 LYS N 2.250 C A 0027 THR O
C A 0029 SER N 2.251 C A 0028 LYS O
C A 0030 ALA N 2.249 C A 0029 SER O
C A 0031 HIS N 2.250 C A 0030 ALA O
C A 0032 PRO N 2.253 C A 0031 HIS O
C A 0033 ALA N 3.068 C A 0031 HIS O
C A 0033 ALA N 2.250 C A 0032 PRO O
C A 0034 ARG N 2.250 C A 0033 ALA O
C A 0035 PHE N 2.250 C A 0034 ARG O
C A 0036 SER N 2.250 C A 0035 PHE O
C A 0037 PRO N 2.253 C A 0036 SER O
C A 0038 ASP N 2.250 C A 0037 PRO O
C A 0039 ASP N 2.251 C A 0038 ASP O
C A 0040 LYS N 2.250 C A 0039 ASP O
C A 0041 TYR N 3.071 C A 0039 ASP O
C A 0041 TYR N 2.249 C A 0040 LYS O
H A 0042 SER N 2.910 C A 0040 LYS O
H A 0042 SER N 2.250 C A 0041 TYR O
H A 0043 ARG N 2.251 H A 0042 SER O
H A 0044 GLN N 2.250 H A 0043 ARG O
H A 0045 ARG N 2.250 H A 0044 GLN O
H A 0046 VAL N 2.249 H A 0045 ARG O
H A 0047 THR N 3.030 H A 0043 ARG O
H A 0047 THR N 3.167 H A 0044 GLN O
H A 0047 THR N 2.250 H A 0046 VAL O
C A 0048 LEU N 2.250 H A 0047 THR O
C A 0049 LYS N 2.249 C A 0048 LEU O
C A 0050 LYS N 3.095 C A 0048 LEU O
C A 0050 LYS N 2.249 C A 0049 LYS O
C A 0051 ARG N 2.251 C A 0050 LYS O
C A 0052 PHE N 2.249 C A 0051 ARG O
C A 0053 GLY N 2.250 C A 0052 PHE O
C A 0054 LEU N 2.966 C A 0052 PHE O
C A 0054 LEU N 2.250 C A 0053 GLY O
C A 0055 VAL N 2.251 C A 0054 LEU O
C A 0056 PRO N 2.254 C A 0055 VAL O
C A 0057 GLY N 2.250 C A 0056 PRO O
C A 0058 GLN N 2.251 C A 0057 GLY O
HB_MS 2.00 3.20 3
E A 0014 ILE O 2.976 C A 0016 THR OG1
C A 0039 ASP O 2.795 H A 0042 SER OG
H A 0043 ARG O 2.605 H A 0047 THR OG1
AROMATIC 0.00 8.00 2
C A 0034 ARG 6.404 C A 0041 TYR
C A 0050 LYS 6.692 C A 0052 PHE