Complet list of 1irh con file
Complete list of 1irh.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 233
C A 0001 GLU C 2.434 C A 0002 PHE CA
C A 0001 GLU C 3.244 C A 0002 PHE C
C A 0001 GLU C 3.598 C A 0002 PHE CB
C A 0002 PHE C 2.433 C A 0003 HIS CA
C A 0002 PHE C 2.993 C A 0003 HIS C
C A 0002 PHE C 3.655 C A 0003 HIS CB
C A 0003 HIS C 2.432 C A 0004 GLY CA
C A 0003 HIS C 3.289 C A 0004 GLY C
C A 0004 GLY CA 2.854 C A 0005 PRO CD
C A 0004 GLY C 2.434 C A 0005 PRO CA
C A 0004 GLY C 2.995 C A 0005 PRO C
C A 0004 GLY C 3.630 C A 0005 PRO CB
C A 0004 GLY C 3.649 C A 0005 PRO CG
C A 0004 GLY C 2.479 C A 0005 PRO CD
C A 0005 PRO C 2.427 C A 0006 SER CA
C A 0005 PRO C 3.624 C A 0006 SER C
C A 0005 PRO C 3.223 C A 0006 SER CB
C A 0005 PRO CB 3.786 C A 0007 TRP CD1
C A 0006 SER C 2.431 C A 0007 TRP CA
C A 0006 SER C 3.700 C A 0007 TRP C
C A 0006 SER C 3.124 C A 0007 TRP CB
C A 0006 SER C 3.589 C A 0007 TRP CG
C A 0006 SER C 3.453 C A 0007 TRP CD1
C A 0007 TRP C 2.438 C A 0008 CYS CA
C A 0007 TRP C 3.437 C A 0008 CYS C
C A 0007 TRP C 3.493 C A 0008 CYS CB
C A 0008 CYS C 2.438 C A 0009 LEU CA
C A 0008 CYS C 3.431 C A 0009 LEU C
C A 0008 CYS C 3.489 C A 0009 LEU CB
C A 0008 CYS C 3.744 C A 0009 LEU CG
C A 0009 LEU C 2.441 C A 0010 THR CA
C A 0009 LEU C 3.154 C A 0010 THR C
C A 0009 LEU C 3.646 C A 0010 THR CB
C A 0009 LEU CD2 3.131 C A 0028 SER CB
C A 0010 THR CA 2.870 C A 0011 PRO CD
C A 0010 THR C 2.435 C A 0011 PRO CA
C A 0010 THR C 2.990 C A 0011 PRO C
C A 0010 THR C 3.633 C A 0011 PRO CB
C A 0010 THR C 3.652 C A 0011 PRO CG
C A 0010 THR C 2.484 C A 0011 PRO CD
C A 0010 THR CB 3.536 C A 0011 PRO CD
C A 0011 PRO C 2.438 C A 0012 ALA CA
C A 0011 PRO C 2.982 C A 0012 ALA C
C A 0011 PRO C 3.660 C A 0012 ALA CB
C A 0012 ALA C 2.431 C A 0013 ASP CA
C A 0012 ALA C 3.010 C A 0013 ASP C
C A 0012 ALA C 3.654 C A 0013 ASP CB
C A 0012 ALA CA 3.727 E A 0025 TYR CD1
C A 0012 ALA CA 3.656 E A 0025 TYR CE1
C A 0012 ALA CB 3.189 E A 0025 TYR CG
C A 0012 ALA CB 3.407 E A 0025 TYR CD1
C A 0012 ALA CB 3.202 E A 0025 TYR CD2
C A 0012 ALA CB 3.624 E A 0025 TYR CE1
C A 0012 ALA CB 3.432 E A 0025 TYR CE2
C A 0012 ALA CB 3.637 E A 0025 TYR CZ
C A 0013 ASP C 2.427 C A 0014 ARG CA
C A 0013 ASP C 3.601 C A 0014 ARG C
C A 0013 ASP C 3.251 C A 0014 ARG CB
C A 0013 ASP CG 3.697 C A 0016 LEU CD1
C A 0013 ASP CG 3.244 C A 0043 GLY CA
C A 0014 ARG C 2.433 C A 0015 GLY CA
C A 0014 ARG C 3.719 C A 0015 GLY C
C A 0015 GLY C 2.438 C A 0016 LEU CA
C A 0015 GLY C 3.687 C A 0016 LEU C
C A 0015 GLY C 3.115 C A 0016 LEU CB
C A 0015 GLY C 3.438 C A 0016 LEU CG
C A 0015 GLY C 3.318 C A 0016 LEU CD1
C A 0016 LEU C 2.431 C A 0017 CYS CA
C A 0016 LEU C 3.076 C A 0017 CYS C
C A 0016 LEU C 3.651 C A 0017 CYS CB
C A 0016 LEU CD2 3.655 C A 0042 GLY CA
C A 0016 LEU CD2 3.751 C A 0042 GLY C
C A 0017 CYS C 2.430 C A 0018 ARG CA
C A 0017 CYS C 3.565 C A 0018 ARG C
C A 0017 CYS C 3.317 C A 0018 ARG CB
C A 0017 CYS CB 3.742 C A 0039 SER C
C A 0017 CYS CB 3.800 C A 0040 GLY CA
C A 0018 ARG C 2.434 C A 0019 ALA CA
C A 0018 ARG C 3.568 C A 0019 ALA C
C A 0018 ARG C 3.320 C A 0019 ALA CB
C A 0019 ALA C 2.433 C A 0020 ASN CA
C A 0019 ALA C 3.221 C A 0020 ASN C
C A 0019 ALA C 3.610 C A 0020 ASN CB
C A 0020 ASN C 2.436 C A 0021 GLU CA
C A 0020 ASN C 3.230 C A 0021 GLU C
C A 0020 ASN C 3.606 C A 0021 GLU CB
C A 0021 GLU C 2.438 C A 0022 ASN CA
C A 0021 GLU C 3.665 C A 0022 ASN C
C A 0021 GLU C 3.151 C A 0022 ASN CB
C A 0021 GLU C 3.763 C A 0022 ASN CG
C A 0022 ASN C 2.436 E A 0023 ARG CA
C A 0022 ASN C 3.254 E A 0023 ARG C
C A 0022 ASN C 3.590 E A 0023 ARG CB
E A 0023 ARG C 2.438 E A 0024 PHE CA
E A 0023 ARG C 3.279 E A 0024 PHE C
E A 0023 ARG C 3.577 E A 0024 PHE CB
E A 0023 ARG C 3.620 E A 0036 PHE CD1
E A 0023 ARG C 3.639 E A 0036 PHE CE1
E A 0023 ARG CB 3.316 E A 0036 PHE CE1
E A 0023 ARG CB 3.756 C A 0038 TYR CB
E A 0023 ARG CG 3.379 C A 0038 TYR CB
E A 0023 ARG CG 3.751 C A 0038 TYR CD2
E A 0024 PHE C 2.444 E A 0025 TYR CA
E A 0024 PHE C 3.275 E A 0025 TYR C
E A 0024 PHE C 3.580 E A 0025 TYR CB
E A 0024 PHE CE2 3.633 E A 0035 PRO CG
E A 0024 PHE CD1 3.702 C A 0049 THR C
E A 0024 PHE CD1 3.791 C A 0050 SER C
E A 0025 TYR C 2.438 E A 0026 TYR CA
E A 0025 TYR C 3.154 E A 0026 TYR C
E A 0025 TYR C 3.639 E A 0026 TYR CB
E A 0025 TYR CB 3.253 E A 0036 PHE CD1
E A 0025 TYR CB 3.579 E A 0036 PHE CE1
E A 0026 TYR C 2.432 C A 0027 ASN CA
E A 0026 TYR C 3.125 C A 0027 ASN C
E A 0026 TYR C 3.637 C A 0027 ASN CB
C A 0027 ASN C 2.435 C A 0028 SER CA
C A 0027 ASN C 3.205 C A 0028 SER C
C A 0027 ASN C 3.615 C A 0028 SER CB
C A 0027 ASN CB 3.575 C A 0030 ILE CG1
C A 0028 SER C 2.434 C A 0029 VAL CA
C A 0028 SER C 3.339 C A 0029 VAL C
C A 0028 SER C 3.544 C A 0029 VAL CB
C A 0028 SER C 3.651 C A 0029 VAL CG2
C A 0029 VAL C 2.430 C A 0030 ILE CA
C A 0029 VAL C 3.251 C A 0030 ILE C
C A 0029 VAL C 3.593 C A 0030 ILE CB
C A 0029 VAL C 3.781 C A 0030 ILE CG2
C A 0030 ILE C 2.436 C A 0031 GLY CA
C A 0030 ILE C 3.303 C A 0031 GLY C
C A 0030 ILE CD1 3.580 C A 0032 LYS CB
C A 0031 GLY C 2.435 C A 0032 LYS CA
C A 0031 GLY C 3.061 C A 0032 LYS C
C A 0031 GLY C 3.650 C A 0032 LYS CB
C A 0032 LYS C 2.435 E A 0033 CYS CA
C A 0032 LYS C 3.154 E A 0033 CYS C
C A 0032 LYS C 3.626 E A 0033 CYS CB
E A 0033 CYS C 2.436 E A 0034 ARG CA
E A 0033 CYS C 3.237 E A 0034 ARG C
E A 0033 CYS C 3.602 E A 0034 ARG CB
E A 0033 CYS CB 3.694 H A 0054 CYS CB
E A 0034 ARG CA 2.888 E A 0035 PRO CD
E A 0034 ARG C 2.441 E A 0035 PRO CA
E A 0034 ARG C 3.037 E A 0035 PRO C
E A 0034 ARG C 3.637 E A 0035 PRO CB
E A 0034 ARG C 3.656 E A 0035 PRO CG
E A 0034 ARG C 2.489 E A 0035 PRO CD
E A 0035 PRO C 2.435 E A 0036 PHE CA
E A 0035 PRO C 3.584 E A 0036 PHE C
E A 0035 PRO C 3.302 E A 0036 PHE CB
E A 0036 PHE C 2.430 C A 0037 LYS CA
E A 0036 PHE C 3.081 C A 0037 LYS C
E A 0036 PHE C 3.644 C A 0037 LYS CB
E A 0036 PHE CE2 3.697 C A 0038 TYR CA
E A 0036 PHE CE2 3.561 C A 0038 TYR CD1
E A 0036 PHE CZ 3.767 C A 0038 TYR CB
E A 0036 PHE CZ 3.544 C A 0038 TYR CD1
C A 0037 LYS C 2.437 C A 0038 TYR CA
C A 0037 LYS C 3.099 C A 0038 TYR C
C A 0037 LYS C 3.642 C A 0038 TYR CB
C A 0038 TYR C 2.433 C A 0039 SER CA
C A 0038 TYR C 3.008 C A 0039 SER C
C A 0038 TYR C 3.651 C A 0039 SER CB
C A 0038 TYR CE2 3.725 C A 0040 GLY CA
C A 0038 TYR CE2 3.688 C A 0040 GLY C
C A 0038 TYR CE1 3.616 C A 0047 ASN CG
C A 0038 TYR CE2 3.685 C A 0047 ASN CG
C A 0038 TYR CZ 3.415 C A 0047 ASN CG
C A 0039 SER C 2.433 C A 0040 GLY CA
C A 0039 SER C 3.628 C A 0040 GLY C
C A 0040 GLY C 2.445 C A 0041 CYS CA
C A 0040 GLY C 2.983 C A 0041 CYS C
C A 0040 GLY C 3.671 C A 0041 CYS CB
C A 0041 CYS C 2.442 C A 0042 GLY CA
C A 0041 CYS C 3.099 C A 0042 GLY C
C A 0042 GLY C 2.438 C A 0043 GLY CA
C A 0042 GLY C 3.569 C A 0043 GLY C
C A 0043 GLY C 2.433 C A 0044 ASN CA
C A 0043 GLY C 3.147 C A 0044 ASN C
C A 0043 GLY C 3.630 C A 0044 ASN CB
C A 0044 ASN C 2.432 C A 0045 GLU CA
C A 0044 ASN C 3.393 C A 0045 GLU C
C A 0044 ASN C 3.497 C A 0045 GLU CB
C A 0044 ASN C 3.713 C A 0045 GLU CG
C A 0045 GLU C 2.431 C A 0046 ASN CA
C A 0045 GLU C 3.473 C A 0046 ASN C
C A 0045 GLU C 3.427 C A 0046 ASN CB
C A 0046 ASN C 2.430 C A 0047 ASN CA
C A 0046 ASN C 3.240 C A 0047 ASN C
C A 0046 ASN C 3.585 C A 0047 ASN CB
C A 0046 ASN CG 3.368 C A 0048 PHE CE2
C A 0047 ASN C 2.434 C A 0048 PHE CA
C A 0047 ASN C 3.238 C A 0048 PHE C
C A 0047 ASN C 3.595 C A 0048 PHE CB
C A 0048 PHE C 2.432 C A 0049 THR CA
C A 0048 PHE C 3.360 C A 0049 THR C
C A 0048 PHE C 3.532 C A 0049 THR CB
C A 0049 THR C 2.435 C A 0050 SER CA
C A 0049 THR C 3.499 C A 0050 SER C
C A 0049 THR C 3.409 C A 0050 SER CB
C A 0050 SER C 2.433 H A 0051 LYS CA
C A 0050 SER C 3.392 H A 0051 LYS C
C A 0050 SER C 3.506 H A 0051 LYS CB
H A 0051 LYS C 2.434 H A 0052 GLN CA
H A 0051 LYS C 3.028 H A 0052 GLN C
H A 0051 LYS C 3.654 H A 0052 GLN CB
H A 0052 GLN C 2.434 H A 0053 GLU CA
H A 0052 GLN C 3.159 H A 0053 GLU C
H A 0052 GLN C 3.625 H A 0053 GLU CB
H A 0053 GLU C 2.438 H A 0054 CYS CA
H A 0053 GLU C 2.994 H A 0054 CYS C
H A 0053 GLU C 3.661 H A 0054 CYS CB
H A 0054 CYS C 2.432 H A 0055 LEU CA
H A 0054 CYS C 3.083 H A 0055 LEU C
H A 0054 CYS C 3.641 H A 0055 LEU CB
H A 0055 LEU C 2.432 H A 0056 ARG CA
H A 0055 LEU C 3.032 H A 0056 ARG C
H A 0055 LEU C 3.650 H A 0056 ARG CB
H A 0055 LEU C 3.680 H A 0059 LYS CB
H A 0056 ARG C 2.432 H A 0057 ALA CA
H A 0056 ARG C 3.323 H A 0057 ALA C
H A 0056 ARG C 3.553 H A 0057 ALA CB
H A 0057 ALA C 2.440 H A 0058 CYS CA
H A 0057 ALA C 3.125 H A 0058 CYS C
H A 0057 ALA C 3.658 H A 0058 CYS CB
H A 0058 CYS C 2.435 H A 0059 LYS CA
H A 0058 CYS C 3.243 H A 0059 LYS C
H A 0058 CYS C 3.603 H A 0059 LYS CB
H A 0059 LYS C 2.451 C A 0060 LYS CA
H A 0059 LYS C 2.972 C A 0060 LYS C
H A 0059 LYS C 2.968 C A 0060 LYS CB
C A 0060 LYS C 2.432 C A 0061 GLY CA
C A 0060 LYS C 3.494 C A 0061 GLY C
CHARGE_ATTR 2.00 12.00 23
C A 0001 GLU OE1 11.18 C A 0003 HIS ND1
C A 0001 GLU OE1 11.19 C A 0060 LYS NZ
C A 0001 GLU OE2 11.71 C A 0060 LYS NZ
C A 0013 ASP OD1 10.59 C A 0014 ARG NH1
C A 0013 ASP OD1 9.595 C A 0014 ARG NH2
C A 0013 ASP OD2 11.55 C A 0014 ARG NH1
C A 0013 ASP OD2 10.42 C A 0014 ARG NH2
C A 0013 ASP OD1 11.90 E A 0023 ARG NH1
C A 0013 ASP OD1 11.09 E A 0023 ARG NH2
C A 0021 GLU OE1 5.531 E A 0023 ARG NH1
C A 0021 GLU OE1 7.674 E A 0023 ARG NH2
C A 0021 GLU OE2 3.618 E A 0023 ARG NH1
C A 0021 GLU OE2 5.785 E A 0023 ARG NH2
C A 0021 GLU OE1 10.22 C A 0037 LYS NZ
C A 0045 GLU OE1 10.67 E A 0023 ARG NH2
H A 0053 GLU OE1 9.563 E A 0023 ARG NH1
H A 0053 GLU OE1 8.494 E A 0023 ARG NH2
H A 0053 GLU OE2 10.14 E A 0023 ARG NH1
H A 0053 GLU OE2 9.187 E A 0023 ARG NH2
H A 0053 GLU OE1 8.340 H A 0056 ARG NH1
H A 0053 GLU OE1 6.514 H A 0056 ARG NH2
H A 0053 GLU OE2 7.481 H A 0056 ARG NH1
H A 0053 GLU OE2 5.408 H A 0056 ARG NH2
CHARGE_REPU 2.00 12.00 14
C A 0013 ASP OD2 11.41 C A 0045 GLU OE2
C A 0014 ARG NH1 8.370 C A 0037 LYS NZ
C A 0014 ARG NH2 10.15 C A 0037 LYS NZ
C A 0032 LYS NZ 7.882 E A 0034 ARG NH1
C A 0032 LYS NZ 6.049 E A 0034 ARG NH2
C A 0032 LYS NZ 4.979 H A 0051 LYS NZ
C A 0032 LYS NZ 9.118 H A 0059 LYS NZ
E A 0034 ARG NH1 9.366 H A 0051 LYS NZ
E A 0034 ARG NH2 7.533 H A 0051 LYS NZ
C A 0045 GLU OE1 11.17 H A 0053 GLU OE1
C A 0045 GLU OE1 11.97 H A 0053 GLU OE2
H A 0051 LYS NZ 9.883 H A 0059 LYS NZ
H A 0056 ARG NH1 10.83 C A 0060 LYS NZ
H A 0059 LYS NZ 10.90 C A 0060 LYS NZ
HB_MM 2.00 3.20 78
C A 0002 PHE N 2.205 C A 0001 GLU O
C A 0003 HIS N 2.204 C A 0002 PHE O
C A 0004 GLY N 2.205 C A 0003 HIS O
C A 0005 PRO N 2.234 C A 0004 GLY O
C A 0006 SER N 2.203 C A 0005 PRO O
C A 0007 TRP N 2.206 C A 0006 SER O
C A 0008 CYS N 2.200 C A 0007 TRP O
C A 0009 LEU N 2.208 C A 0008 CYS O
C A 0010 THR N 2.206 C A 0009 LEU O
C A 0011 PRO N 2.233 C A 0010 THR O
C A 0012 ALA N 2.205 C A 0011 PRO O
C A 0013 ASP N 2.935 C A 0011 PRO O
C A 0013 ASP N 2.205 C A 0012 ALA O
C A 0014 ARG N 2.994 C A 0012 ALA O
C A 0014 ARG N 2.204 C A 0013 ASP O
C A 0015 GLY N 2.206 C A 0014 ARG O
C A 0016 LEU N 2.206 C A 0015 GLY O
C A 0017 CYS N 2.202 C A 0016 LEU O
C A 0018 ARG N 2.205 C A 0017 CYS O
C A 0019 ALA N 2.207 C A 0018 ARG O
C A 0019 ALA N 3.013 C A 0039 SER O
C A 0020 ASN N 2.205 C A 0019 ALA O
C A 0021 GLU N 3.045 C A 0019 ALA O
C A 0021 GLU N 2.204 C A 0020 ASN O
C A 0022 ASN N 2.204 C A 0021 GLU O
E A 0023 ARG N 2.204 C A 0022 ASN O
E A 0023 ARG N 3.050 E A 0036 PHE O
E A 0024 PHE N 2.205 E A 0023 ARG O
E A 0024 PHE N 2.792 C A 0048 PHE O
E A 0025 TYR N 2.205 E A 0024 PHE O
E A 0025 TYR N 2.992 E A 0034 ARG O
E A 0026 TYR N 2.205 E A 0025 TYR O
C A 0027 ASN N 2.203 E A 0026 TYR O
C A 0028 SER N 2.206 C A 0027 ASN O
C A 0029 VAL N 2.205 C A 0028 SER O
C A 0030 ILE N 2.205 C A 0029 VAL O
C A 0031 GLY N 3.021 C A 0027 ASN O
C A 0031 GLY N 2.206 C A 0030 ILE O
C A 0032 LYS N 2.203 C A 0031 GLY O
E A 0033 CYS N 2.205 C A 0032 LYS O
E A 0034 ARG N 2.762 E A 0025 TYR O
E A 0034 ARG N 3.182 C A 0032 LYS O
E A 0034 ARG N 2.204 E A 0033 CYS O
E A 0035 PRO N 2.234 E A 0034 ARG O
E A 0036 PHE N 2.759 E A 0023 ARG O
E A 0036 PHE N 2.205 E A 0035 PRO O
C A 0037 LYS N 2.205 E A 0036 PHE O
C A 0038 TYR N 2.861 E A 0036 PHE O
C A 0038 TYR N 2.205 C A 0037 LYS O
C A 0039 SER N 2.208 C A 0038 TYR O
C A 0040 GLY N 2.207 C A 0039 SER O
C A 0041 CYS N 2.208 C A 0040 GLY O
C A 0042 GLY N 2.204 C A 0041 CYS O
C A 0043 GLY N 2.207 C A 0042 GLY O
C A 0044 ASN N 2.206 C A 0043 GLY O
C A 0045 GLU N 2.205 C A 0044 ASN O
C A 0046 ASN N 2.205 C A 0045 GLU O
C A 0047 ASN N 2.204 C A 0046 ASN O
C A 0048 PHE N 2.204 C A 0047 ASN O
C A 0049 THR N 2.205 C A 0048 PHE O
C A 0050 SER N 2.206 C A 0049 THR O
H A 0051 LYS N 2.205 C A 0050 SER O
H A 0052 GLN N 2.204 H A 0051 LYS O
H A 0053 GLU N 2.205 H A 0052 GLN O
H A 0054 CYS N 2.205 H A 0053 GLU O
H A 0055 LEU N 2.204 H A 0054 CYS O
H A 0056 ARG N 3.123 H A 0052 GLN O
H A 0056 ARG N 2.198 H A 0055 LEU O
H A 0057 ALA N 2.918 H A 0053 GLU O
H A 0057 ALA N 2.975 H A 0055 LEU O
H A 0057 ALA N 2.205 H A 0056 ARG O
H A 0058 CYS N 3.175 H A 0054 CYS O
H A 0058 CYS N 2.207 H A 0057 ALA O
H A 0059 LYS N 2.869 H A 0055 LEU O
H A 0059 LYS N 2.205 H A 0058 CYS O
C A 0060 LYS N 2.746 H A 0055 LEU O
C A 0060 LYS N 2.206 H A 0059 LYS O
C A 0061 GLY N 2.203 C A 0060 LYS O
HB_MS 2.00 3.20 6
C A 0007 TRP O 2.625 C A 0046 ASN ND2
C A 0011 PRO N 3.126 C A 0010 THR OG1
C A 0022 ASN N 3.057 C A 0021 GLU OE1
C A 0040 GLY O 3.013 C A 0038 TYR OH
C A 0042 GLY O 2.487 C A 0038 TYR OH
C A 0044 ASN O 3.050 C A 0047 ASN ND2
HB_SS 2.00 3.20 2
C A 0044 ASN ND2 3.069 C A 0010 THR OG1
C A 0047 ASN ND2 3.071 C A 0038 TYR OH
AROMATIC 0.00 8.00 1
H A 0051 LYS 7.843 E A 0024 PHE
SS_BOND 1.50 2.80 3
C A 0008 CYS SG 2.028 H A 0058 CYS SG
C A 0017 CYS SG 2.020 C A 0041 CYS SG
E A 0033 CYS SG 2.019 H A 0054 CYS SG