Complet list of 1b4o con file
Complete list of 1b4o.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 203
C A 0001 ALA C 2.496 C A 0002 THR CA
C A 0001 ALA C 3.366 C A 0002 THR C
C A 0001 ALA C 3.717 C A 0002 THR CB
C A 0002 THR C 2.504 C A 0003 VAL CA
C A 0002 THR C 3.262 C A 0003 VAL C
C A 0002 THR C 3.780 C A 0003 VAL CB
C A 0003 VAL C 2.500 C A 0004 LYS CA
C A 0003 VAL C 3.303 C A 0004 LYS C
C A 0003 VAL C 3.737 C A 0004 LYS CB
C A 0003 VAL CB 3.780 C A 0005 PHE CE1
C A 0003 VAL CG2 3.738 C A 0005 PHE CZ
C A 0003 VAL CG2 3.577 C A 0019 ILE CD1
C A 0003 VAL CG1 3.734 C A 0051 PRO CG
C A 0003 VAL CG1 3.795 C A 0051 PRO CD
C A 0004 LYS C 2.489 C A 0005 PHE CA
C A 0004 LYS C 3.371 C A 0005 PHE C
C A 0004 LYS C 3.632 C A 0005 PHE CB
C A 0005 PHE C 2.522 C A 0006 LYS CA
C A 0005 PHE C 3.171 C A 0006 LYS C
C A 0005 PHE C 3.281 C A 0006 LYS CB
C A 0005 PHE CZ 3.756 C A 0023 TRP CH2
C A 0006 LYS C 2.489 C A 0007 TYR CA
C A 0006 LYS C 3.298 C A 0007 TYR C
C A 0006 LYS C 3.739 C A 0007 TYR CB
C A 0007 TYR C 2.498 C A 0008 LYS CA
C A 0007 TYR C 3.442 C A 0008 LYS C
C A 0007 TYR C 3.675 C A 0008 LYS CB
C A 0007 TYR CE2 3.720 E A 0044 ALA CB
C A 0008 LYS C 2.489 C A 0009 GLY CA
C A 0008 LYS C 3.532 C A 0009 GLY C
C A 0009 GLY C 2.502 C A 0010 GLU CA
C A 0009 GLY C 3.189 C A 0010 GLU C
C A 0009 GLY C 3.738 C A 0010 GLU CB
C A 0010 GLU C 2.505 C A 0011 GLU CA
C A 0010 GLU C 3.329 C A 0011 GLU C
C A 0010 GLU C 3.719 C A 0011 GLU CB
C A 0011 GLU C 2.495 C A 0012 LYS CA
C A 0011 GLU C 3.225 C A 0012 LYS C
C A 0011 GLU C 3.767 C A 0012 LYS CB
C A 0012 LYS C 2.495 C A 0013 GLN CA
C A 0012 LYS C 3.268 C A 0013 GLN C
C A 0012 LYS C 3.744 C A 0013 GLN CB
C A 0013 GLN C 2.498 C A 0014 VAL CA
C A 0013 GLN C 3.399 C A 0014 VAL C
C A 0013 GLN C 3.676 C A 0014 VAL CB
C A 0014 VAL C 2.500 C A 0015 ASP CA
C A 0014 VAL C 3.271 C A 0015 ASP C
C A 0014 VAL C 3.751 C A 0015 ASP CB
C A 0014 VAL CG2 3.776 C A 0033 TYR CE2
C A 0015 ASP C 2.511 C A 0016 ILE CA
C A 0015 ASP C 3.285 C A 0016 ILE C
C A 0015 ASP C 3.770 C A 0016 ILE CB
C A 0016 ILE C 2.501 C A 0017 SER CA
C A 0016 ILE C 3.241 C A 0017 SER C
C A 0016 ILE C 3.756 C A 0017 SER CB
C A 0017 SER C 2.504 C A 0018 LYS CA
C A 0017 SER C 3.320 C A 0018 LYS C
C A 0017 SER C 3.721 C A 0018 LYS CB
C A 0018 LYS C 2.498 C A 0019 ILE CA
C A 0018 LYS C 3.676 C A 0019 ILE C
C A 0018 LYS C 3.355 C A 0019 ILE CB
C A 0018 LYS C 3.353 C A 0019 ILE CG1
C A 0018 LYS C 3.779 C A 0019 ILE CD1
C A 0019 ILE C 2.499 C A 0020 LYS CA
C A 0019 ILE C 3.365 C A 0020 LYS C
C A 0019 ILE C 3.751 C A 0020 LYS CB
C A 0020 LYS C 2.523 C A 0021 LYS CA
C A 0020 LYS C 3.304 C A 0021 LYS C
C A 0020 LYS C 3.121 C A 0021 LYS CB
C A 0020 LYS CG 3.798 C A 0040 THR CG2
C A 0021 LYS C 2.501 C A 0022 VAL CA
C A 0021 LYS C 3.536 C A 0022 VAL C
C A 0021 LYS C 3.499 C A 0022 VAL CB
C A 0021 LYS C 3.564 C A 0022 VAL CG2
C A 0022 VAL C 2.522 C A 0023 TRP CA
C A 0022 VAL C 3.258 C A 0023 TRP C
C A 0022 VAL C 3.233 C A 0023 TRP CB
C A 0022 VAL C 3.685 C A 0023 TRP CG
C A 0022 VAL CG2 3.760 C A 0032 THR CG2
C A 0023 TRP C 2.492 C A 0024 ARG CA
C A 0023 TRP C 3.699 C A 0024 ARG C
C A 0023 TRP C 3.386 C A 0024 ARG CB
C A 0023 TRP C 3.481 C A 0024 ARG CG
C A 0023 TRP CZ3 3.798 E A 0031 ALA CA
C A 0023 TRP CZ3 3.703 C A 0045 VAL CG1
C A 0024 ARG C 2.490 C A 0025 VAL CA
C A 0024 ARG C 3.234 C A 0025 VAL C
C A 0024 ARG C 3.767 C A 0025 VAL CB
C A 0025 VAL C 2.476 C A 0026 GLY CA
C A 0025 VAL C 3.314 C A 0026 GLY C
C A 0026 GLY C 2.499 C A 0027 LYS CA
C A 0026 GLY C 3.261 C A 0027 LYS C
C A 0026 GLY C 3.741 C A 0027 LYS CB
C A 0027 LYS C 2.504 C A 0028 MET CA
C A 0027 LYS C 3.235 C A 0028 MET C
C A 0027 LYS C 3.758 C A 0028 MET CB
C A 0028 MET C 2.493 C A 0029 ILE CA
C A 0028 MET C 3.370 C A 0029 ILE C
C A 0028 MET C 3.644 C A 0029 ILE CB
C A 0029 ILE C 2.495 E A 0030 SER CA
C A 0029 ILE C 3.183 E A 0030 SER C
C A 0029 ILE C 3.740 E A 0030 SER CB
E A 0030 SER C 2.482 E A 0031 ALA CA
E A 0030 SER C 3.301 E A 0031 ALA C
E A 0030 SER C 3.693 E A 0031 ALA CB
E A 0031 ALA C 2.490 C A 0032 THR CA
E A 0031 ALA C 3.570 C A 0032 THR C
E A 0031 ALA C 3.500 C A 0032 THR CB
E A 0031 ALA C 3.620 C A 0032 THR CG2
E A 0031 ALA CB 3.653 E A 0043 GLY C
C A 0032 THR C 2.495 C A 0033 TYR CA
C A 0032 THR C 3.625 C A 0033 TYR C
C A 0032 THR C 3.461 C A 0033 TYR CB
C A 0033 TYR C 2.488 C A 0034 ASP CA
C A 0033 TYR C 3.205 C A 0034 ASP C
C A 0033 TYR C 3.754 C A 0034 ASP CB
C A 0034 ASP C 2.487 C A 0035 GLU CA
C A 0034 ASP C 3.254 C A 0035 GLU C
C A 0034 ASP C 3.708 C A 0035 GLU CB
C A 0035 GLU C 2.488 C A 0036 GLY CA
C A 0035 GLU C 3.653 C A 0036 GLY C
C A 0036 GLY C 2.483 C A 0037 GLY CA
C A 0036 GLY C 3.289 C A 0037 GLY C
C A 0037 GLY C 2.477 C A 0038 GLY CA
C A 0037 GLY C 3.672 C A 0038 GLY C
C A 0038 GLY C 2.498 C A 0039 LYS CA
C A 0038 GLY C 3.603 C A 0039 LYS C
C A 0038 GLY C 3.446 C A 0039 LYS CB
C A 0038 GLY C 3.602 C A 0039 LYS CG
C A 0039 LYS C 2.492 C A 0040 THR CA
C A 0039 LYS C 3.361 C A 0040 THR C
C A 0039 LYS C 3.712 C A 0040 THR CB
C A 0040 THR C 2.474 C A 0041 GLY CA
C A 0040 THR C 3.312 C A 0041 GLY C
C A 0041 GLY C 2.494 C A 0042 ARG CA
C A 0041 GLY C 3.195 C A 0042 ARG C
C A 0041 GLY C 3.784 C A 0042 ARG CB
C A 0042 ARG C 2.473 E A 0043 GLY CA
C A 0042 ARG C 3.772 E A 0043 GLY C
E A 0043 GLY C 2.488 E A 0044 ALA CA
E A 0043 GLY C 3.694 E A 0044 ALA C
E A 0043 GLY C 3.333 E A 0044 ALA CB
E A 0044 ALA C 2.499 C A 0045 VAL CA
E A 0044 ALA C 3.644 C A 0045 VAL C
E A 0044 ALA C 3.378 C A 0045 VAL CB
C A 0045 VAL C 2.493 C A 0046 SER CA
C A 0045 VAL C 3.287 C A 0046 SER C
C A 0045 VAL C 3.705 C A 0046 SER CB
C A 0045 VAL CG2 3.799 C A 0049 ASP C
C A 0046 SER C 2.504 C A 0047 GLU CA
C A 0046 SER C 3.799 C A 0047 GLU C
C A 0046 SER C 3.235 C A 0047 GLU CB
C A 0047 GLU C 2.511 C A 0048 LYS CA
C A 0047 GLU C 3.253 C A 0048 LYS C
C A 0047 GLU C 3.772 C A 0048 LYS CB
C A 0048 LYS C 2.502 C A 0049 ASP CA
C A 0048 LYS C 3.337 C A 0049 ASP C
C A 0048 LYS C 3.745 C A 0049 ASP CB
C A 0049 ASP C 2.506 C A 0050 ALA CA
C A 0049 ASP C 3.270 C A 0050 ALA C
C A 0049 ASP C 3.744 C A 0050 ALA CB
C A 0050 ALA CA 3.027 C A 0051 PRO CD
C A 0050 ALA C 2.517 C A 0051 PRO CA
C A 0050 ALA C 3.365 C A 0051 PRO C
C A 0050 ALA C 3.643 C A 0051 PRO CB
C A 0050 ALA C 3.707 C A 0051 PRO CG
C A 0050 ALA C 2.509 C A 0051 PRO CD
C A 0051 PRO C 2.513 H A 0052 LYS CA
C A 0051 PRO C 3.247 H A 0052 LYS C
C A 0051 PRO C 3.780 H A 0052 LYS CB
H A 0052 LYS C 2.514 H A 0053 GLU CA
H A 0052 LYS C 3.233 H A 0053 GLU C
H A 0052 LYS C 3.785 H A 0053 GLU CB
H A 0053 GLU C 2.508 H A 0054 LEU CA
H A 0053 GLU C 3.182 H A 0054 LEU C
H A 0053 GLU C 3.746 H A 0054 LEU CB
H A 0054 LEU C 2.508 H A 0055 LEU CA
H A 0054 LEU C 3.206 H A 0055 LEU C
H A 0055 LEU C 2.509 H A 0056 GLN CA
H A 0055 LEU C 3.217 H A 0056 GLN C
H A 0055 LEU C 3.785 H A 0056 GLN CB
H A 0056 GLN C 2.492 H A 0057 MET CA
H A 0056 GLN C 3.289 H A 0057 MET C
H A 0056 GLN C 3.717 H A 0057 MET CB
H A 0057 MET C 2.496 H A 0058 LEU CA
H A 0057 MET C 3.412 H A 0058 LEU C
H A 0057 MET C 3.652 H A 0058 LEU CB
H A 0058 LEU CA 3.352 C A 0059 GLU CA
H A 0058 LEU CA 3.590 C A 0059 GLU CB
H A 0058 LEU C 2.587 C A 0059 GLU CA
H A 0058 LEU C 3.462 C A 0059 GLU C
H A 0058 LEU C 3.295 C A 0059 GLU CB
H A 0058 LEU C 3.676 C A 0059 GLU CG
H A 0058 LEU CB 3.602 C A 0059 GLU CB
H A 0058 LEU CB 3.776 C A 0059 GLU CG
C A 0059 GLU C 2.506 C A 0060 LYS CA
C A 0059 GLU C 3.182 C A 0060 LYS C
C A 0060 LYS C 2.495 C A 0061 GLN CA
C A 0060 LYS C 3.468 C A 0061 GLN C
C A 0060 LYS C 3.589 C A 0061 GLN CB
C A 0061 GLN C 2.500 C A 0062 LYS CA
C A 0061 GLN C 3.306 C A 0062 LYS C
C A 0061 GLN C 3.732 C A 0062 LYS CB
CHARGE_ATTR 2.00 12.00 48
C A 0010 GLU OE1 7.565 C A 0006 LYS NZ
C A 0010 GLU OE2 7.124 C A 0006 LYS NZ
C A 0010 GLU OE1 5.268 C A 0012 LYS NZ
C A 0010 GLU OE2 4.390 C A 0012 LYS NZ
C A 0011 GLU OE1 11.33 C A 0004 LYS NZ
C A 0011 GLU OE2 9.170 C A 0004 LYS NZ
C A 0011 GLU OE1 10.74 C A 0006 LYS NZ
C A 0011 GLU OE2 9.451 C A 0006 LYS NZ
C A 0011 GLU OE1 9.511 C A 0012 LYS NZ
C A 0011 GLU OE2 9.541 C A 0012 LYS NZ
C A 0015 ASP OD1 10.63 C A 0004 LYS NZ
C A 0015 ASP OD2 11.42 C A 0004 LYS NZ
C A 0015 ASP OD1 11.38 C A 0006 LYS NZ
C A 0015 ASP OD2 10.17 C A 0006 LYS NZ
C A 0015 ASP OD1 9.867 C A 0018 LYS NZ
C A 0015 ASP OD2 8.465 C A 0018 LYS NZ
C A 0034 ASP OD1 8.398 C A 0018 LYS NZ
C A 0034 ASP OD2 6.307 C A 0018 LYS NZ
C A 0034 ASP OD1 4.761 C A 0020 LYS NZ
C A 0034 ASP OD2 6.697 C A 0020 LYS NZ
C A 0034 ASP OD1 11.88 C A 0039 LYS NZ
C A 0035 GLU OE1 11.90 C A 0006 LYS NZ
C A 0035 GLU OE2 11.48 C A 0006 LYS NZ
C A 0035 GLU OE1 10.20 C A 0012 LYS NZ
C A 0035 GLU OE2 9.655 C A 0012 LYS NZ
C A 0035 GLU OE1 9.562 C A 0018 LYS NZ
C A 0035 GLU OE2 7.702 C A 0018 LYS NZ
C A 0035 GLU OE1 6.692 C A 0039 LYS NZ
C A 0035 GLU OE2 8.854 C A 0039 LYS NZ
C A 0047 GLU OE1 10.57 C A 0027 LYS NZ
C A 0047 GLU OE1 7.688 C A 0048 LYS NZ
C A 0047 GLU OE2 6.154 C A 0048 LYS NZ
C A 0049 ASP OD1 5.120 C A 0004 LYS NZ
C A 0049 ASP OD2 7.284 C A 0004 LYS NZ
C A 0049 ASP OD1 10.72 C A 0006 LYS NZ
C A 0049 ASP OD2 11.25 C A 0006 LYS NZ
C A 0049 ASP OD1 9.929 C A 0048 LYS NZ
C A 0049 ASP OD2 8.404 C A 0048 LYS NZ
H A 0053 GLU OE1 10.98 H A 0052 LYS NZ
H A 0053 GLU OE2 10.33 H A 0052 LYS NZ
C A 0059 GLU OE1 8.174 C A 0021 LYS NZ
C A 0059 GLU OE2 8.661 C A 0021 LYS NZ
C A 0059 GLU OE1 4.824 C A 0024 ARG NH1
C A 0059 GLU OE1 6.120 C A 0024 ARG NH2
C A 0059 GLU OE2 6.418 C A 0024 ARG NH1
C A 0059 GLU OE2 7.363 C A 0024 ARG NH2
C A 0059 GLU OE1 11.03 C A 0060 LYS NZ
C A 0059 GLU OE2 10.02 C A 0060 LYS NZ
CHARGE_REPU 2.00 12.00 21
C A 0004 LYS NZ 10.35 C A 0006 LYS NZ
C A 0006 LYS NZ 8.246 C A 0012 LYS NZ
C A 0010 GLU OE1 9.342 C A 0011 GLU OE1
C A 0010 GLU OE1 9.764 C A 0011 GLU OE2
C A 0010 GLU OE2 7.242 C A 0011 GLU OE1
C A 0010 GLU OE2 7.606 C A 0011 GLU OE2
C A 0011 GLU OE2 11.89 C A 0049 ASP OD1
C A 0015 ASP OD2 11.06 C A 0035 GLU OE2
C A 0015 ASP OD1 10.67 H A 0053 GLU OE2
C A 0020 LYS NZ 11.96 C A 0021 LYS NZ
C A 0021 LYS NZ 7.452 C A 0024 ARG NH1
C A 0021 LYS NZ 9.282 C A 0024 ARG NH2
C A 0021 LYS NZ 9.961 C A 0060 LYS NZ
C A 0034 ASP OD1 8.887 C A 0035 GLU OE1
C A 0034 ASP OD1 8.977 C A 0035 GLU OE2
C A 0034 ASP OD2 8.186 C A 0035 GLU OE1
C A 0034 ASP OD2 7.796 C A 0035 GLU OE2
C A 0047 GLU OE1 10.70 C A 0049 ASP OD2
C A 0047 GLU OE2 11.72 C A 0049 ASP OD1
C A 0047 GLU OE2 10.16 C A 0049 ASP OD2
C A 0060 LYS NZ 7.742 C A 0062 LYS NZ
HB_MM 2.00 3.20 63
C A 0002 THR N 2.271 C A 0001 ALA O
C A 0003 VAL N 2.270 C A 0002 THR O
C A 0004 LYS N 3.082 C A 0002 THR O
C A 0004 LYS N 2.263 C A 0003 VAL O
C A 0005 PHE N 2.268 C A 0004 LYS O
C A 0006 LYS N 2.264 C A 0005 PHE O
C A 0007 TYR N 2.264 C A 0006 LYS O
C A 0008 LYS N 2.266 C A 0007 TYR O
C A 0009 GLY N 2.265 C A 0008 LYS O
C A 0010 GLU N 2.273 C A 0009 GLY O
C A 0011 GLU N 2.263 C A 0010 GLU O
C A 0012 LYS N 2.260 C A 0011 GLU O
C A 0013 GLN N 2.260 C A 0012 LYS O
C A 0014 VAL N 2.269 C A 0013 GLN O
C A 0015 ASP N 2.270 C A 0014 VAL O
C A 0016 ILE N 2.270 C A 0015 ASP O
C A 0017 SER N 2.248 C A 0016 ILE O
C A 0018 LYS N 2.265 C A 0017 SER O
C A 0019 ILE N 2.273 C A 0018 LYS O
C A 0020 LYS N 2.266 C A 0019 ILE O
C A 0021 LYS N 2.263 C A 0020 LYS O
C A 0022 VAL N 2.267 C A 0021 LYS O
C A 0023 TRP N 2.267 C A 0022 VAL O
C A 0024 ARG N 2.249 C A 0023 TRP O
C A 0025 VAL N 2.264 C A 0024 ARG O
C A 0026 GLY N 2.275 C A 0025 VAL O
C A 0027 LYS N 2.274 C A 0026 GLY O
C A 0028 MET N 2.271 C A 0027 LYS O
C A 0029 ILE N 2.270 C A 0028 MET O
E A 0030 SER N 2.275 C A 0029 ILE O
E A 0031 ALA N 2.274 E A 0030 SER O
C A 0032 THR N 2.271 E A 0031 ALA O
C A 0033 TYR N 2.272 C A 0032 THR O
C A 0034 ASP N 2.269 C A 0033 TYR O
C A 0035 GLU N 2.265 C A 0034 ASP O
C A 0036 GLY N 2.268 C A 0035 GLU O
C A 0037 GLY N 2.273 C A 0036 GLY O
C A 0038 GLY N 2.275 C A 0037 GLY O
C A 0039 LYS N 2.274 C A 0038 GLY O
C A 0040 THR N 2.263 C A 0039 LYS O
C A 0041 GLY N 2.268 C A 0040 THR O
C A 0042 ARG N 2.277 C A 0041 GLY O
E A 0043 GLY N 2.266 C A 0042 ARG O
E A 0044 ALA N 2.274 E A 0043 GLY O
C A 0045 VAL N 2.271 E A 0044 ALA O
C A 0046 SER N 2.263 C A 0045 VAL O
C A 0047 GLU N 2.264 C A 0046 SER O
C A 0048 LYS N 2.263 C A 0047 GLU O
C A 0049 ASP N 2.262 C A 0048 LYS O
C A 0050 ALA N 2.258 C A 0049 ASP O
C A 0051 PRO N 2.259 C A 0050 ALA O
H A 0052 LYS N 2.268 C A 0051 PRO O
H A 0053 GLU N 2.265 H A 0052 LYS O
H A 0054 LEU N 2.264 H A 0053 GLU O
H A 0055 LEU N 2.265 H A 0054 LEU O
H A 0056 GLN N 2.267 H A 0055 LEU O
H A 0057 MET N 2.267 H A 0056 GLN O
H A 0058 LEU N 2.272 H A 0057 MET O
H A 0058 LEU N 2.885 C A 0059 GLU O
C A 0059 GLU N 2.169 H A 0058 LEU O
C A 0060 LYS N 2.257 C A 0059 GLU O
C A 0061 GLN N 2.274 C A 0060 LYS O
C A 0062 LYS N 2.266 C A 0061 GLN O
HB_MS 2.00 3.20 4
C A 0011 GLU N 3.171 C A 0010 GLU OE2
C A 0012 LYS O 3.037 C A 0006 LYS NZ
C A 0018 LYS N 3.135 C A 0017 SER OG
E A 0044 ALA O 3.193 C A 0007 TYR OH
AROMATIC 0.00 8.00 2
C A 0006 LYS 5.978 C A 0033 TYR
C A 0006 LYS 5.985 C A 0005 PHE