Complet list of 1jkz con file
Complete list of 1jkz.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 187
C A 0001 LYS C 2.448 E A 0002 THR CA
C A 0001 LYS C 3.580 E A 0002 THR C
C A 0001 LYS C 3.416 E A 0002 THR CB
C A 0001 LYS C 3.439 E A 0002 THR CG2
E A 0002 THR C 2.434 E A 0003 CYS CA
E A 0002 THR C 3.472 E A 0003 CYS C
E A 0002 THR C 3.491 E A 0003 CYS CB
E A 0003 CYS C 2.437 E A 0004 GLU CA
E A 0003 CYS C 3.406 E A 0004 GLU C
E A 0003 CYS C 3.564 E A 0004 GLU CB
E A 0003 CYS C 3.765 E A 0004 GLU CG
E A 0004 GLU C 2.431 E A 0005 HIS CA
E A 0004 GLU C 3.588 E A 0005 HIS C
E A 0004 GLU C 3.365 E A 0005 HIS CB
E A 0004 GLU C 3.364 E A 0005 HIS CG
E A 0005 HIS C 2.447 E A 0006 LEU CA
E A 0005 HIS C 3.271 E A 0006 LEU C
E A 0005 HIS C 3.642 E A 0006 LEU CB
E A 0006 LEU C 2.444 C A 0007 ALA CA
E A 0006 LEU C 3.213 C A 0007 ALA C
E A 0006 LEU C 3.675 C A 0007 ALA CB
E A 0006 LEU CD2 3.436 C A 0007 ALA C
E A 0006 LEU CD1 3.391 E A 0039 LYS CB
E A 0006 LEU CD1 3.322 E A 0039 LYS CD
E A 0006 LEU CD1 3.455 E A 0041 PHE CE1
E A 0006 LEU CD1 3.656 E A 0041 PHE CZ
C A 0007 ALA C 2.447 C A 0008 ASP CA
C A 0007 ALA C 3.186 C A 0008 ASP C
C A 0007 ALA C 3.688 C A 0008 ASP CB
C A 0007 ALA CB 3.761 H A 0023 HIS CE1
C A 0008 ASP C 2.439 C A 0009 THR CA
C A 0008 ASP C 3.398 C A 0009 THR C
C A 0008 ASP C 3.570 C A 0009 THR CB
C A 0009 THR C 2.453 C A 0010 TYR CA
C A 0009 THR C 3.403 C A 0010 TYR C
C A 0009 THR C 3.553 C A 0010 TYR CB
C A 0009 THR C 3.437 H A 0023 HIS CE1
C A 0009 THR CG2 3.478 H A 0027 LYS CE
C A 0010 TYR C 2.438 C A 0011 ARG CA
C A 0010 TYR C 3.412 C A 0011 ARG C
C A 0010 TYR C 3.559 C A 0011 ARG CB
C A 0010 TYR C 3.671 C A 0011 ARG CG
C A 0010 TYR CE2 3.785 C A 0012 GLY C
C A 0010 TYR CE2 3.732 C A 0013 VAL C
C A 0010 TYR CA 3.527 H A 0023 HIS CE1
C A 0010 TYR CD1 3.699 H A 0023 HIS CG
C A 0010 TYR CD1 3.082 H A 0023 HIS CD2
C A 0011 ARG C 2.423 C A 0012 GLY CA
C A 0011 ARG C 3.181 C A 0012 GLY C
C A 0012 GLY C 2.448 C A 0013 VAL CA
C A 0012 GLY C 3.330 C A 0013 VAL C
C A 0012 GLY C 3.665 C A 0013 VAL CB
C A 0013 VAL C 2.462 C A 0014 CYS CA
C A 0013 VAL C 3.514 C A 0014 CYS C
C A 0013 VAL C 3.522 C A 0014 CYS CB
C A 0013 VAL CG1 3.383 C A 0038 TRP CE3
C A 0013 VAL CG1 3.745 C A 0038 TRP CZ3
C A 0014 CYS C 2.449 C A 0015 PHE CA
C A 0014 CYS C 3.513 C A 0015 PHE C
C A 0014 CYS C 3.508 C A 0015 PHE CB
C A 0014 CYS C 3.647 C A 0015 PHE CG
C A 0014 CYS C 3.225 C A 0015 PHE CD1
C A 0014 CYS CB 3.782 E A 0035 CYS CB
C A 0015 PHE C 2.451 H A 0016 THR CA
C A 0015 PHE C 3.620 H A 0016 THR C
C A 0015 PHE C 3.371 H A 0016 THR CB
C A 0015 PHE C 3.346 H A 0016 THR CG2
H A 0016 THR C 2.461 H A 0017 ASN CA
H A 0016 THR C 2.992 H A 0017 ASN C
H A 0016 THR C 3.731 H A 0017 ASN CB
H A 0017 ASN C 2.447 H A 0018 ALA CA
H A 0017 ASN C 3.115 H A 0018 ALA C
H A 0017 ASN C 3.709 H A 0018 ALA CB
H A 0018 ALA C 2.447 H A 0019 SER CA
H A 0018 ALA C 3.019 H A 0019 SER C
H A 0018 ALA C 3.738 H A 0019 SER CB
H A 0019 SER C 2.452 H A 0020 CYS CA
H A 0019 SER C 3.149 H A 0020 CYS C
H A 0019 SER C 3.721 H A 0020 CYS CB
H A 0020 CYS C 2.452 H A 0021 ASP CA
H A 0020 CYS C 2.951 H A 0021 ASP C
H A 0020 CYS C 3.723 H A 0021 ASP CB
H A 0020 CYS C 3.777 H A 0023 HIS CB
H A 0020 CYS CB 3.502 E A 0033 GLY C
H A 0020 CYS CB 3.727 E A 0034 THR CA
H A 0020 CYS CB 3.553 E A 0034 THR C
H A 0020 CYS CB 3.785 E A 0040 CYS CB
H A 0021 ASP C 2.461 H A 0022 ASP CA
H A 0021 ASP C 2.923 H A 0022 ASP C
H A 0021 ASP C 3.727 H A 0022 ASP CB
H A 0021 ASP CG 3.382 H A 0025 LYS CE
H A 0022 ASP CA 3.794 H A 0023 HIS CA
H A 0022 ASP C 2.455 H A 0023 HIS CA
H A 0022 ASP C 2.938 H A 0023 HIS C
H A 0022 ASP C 3.684 H A 0023 HIS CB
H A 0023 HIS C 2.432 H A 0024 CYS CA
H A 0023 HIS C 2.946 H A 0024 CYS C
H A 0023 HIS C 3.722 H A 0024 CYS CB
H A 0023 HIS CE1 3.255 H A 0027 LYS CG
H A 0023 HIS CD2 3.390 E A 0040 CYS CB
H A 0024 CYS C 2.458 H A 0025 LYS CA
H A 0024 CYS C 2.964 H A 0025 LYS C
H A 0024 CYS C 3.731 H A 0025 LYS CB
H A 0025 LYS C 2.447 H A 0026 ASN CA
H A 0025 LYS C 3.215 H A 0026 ASN C
H A 0025 LYS C 3.679 H A 0026 ASN CB
H A 0026 ASN C 2.445 H A 0027 LYS CA
H A 0026 ASN C 3.185 H A 0027 LYS C
H A 0026 ASN C 3.700 H A 0027 LYS CB
H A 0027 LYS C 2.434 H A 0028 ALA CA
H A 0027 LYS C 3.526 H A 0028 ALA C
H A 0027 LYS C 3.406 H A 0028 ALA CB
H A 0028 ALA C 2.495 C A 0029 HIS CA
H A 0028 ALA C 2.993 C A 0029 HIS C
H A 0028 ALA C 3.720 C A 0029 HIS CB
H A 0028 ALA C 3.380 C A 0030 LEU CD2
C A 0029 HIS C 2.446 C A 0030 LEU CA
C A 0029 HIS C 3.478 C A 0030 LEU C
C A 0029 HIS C 3.516 C A 0030 LEU CB
C A 0029 HIS C 3.360 C A 0030 LEU CD2
C A 0030 LEU C 2.442 C A 0031 ILE CA
C A 0030 LEU C 3.177 C A 0031 ILE C
C A 0030 LEU C 3.730 C A 0031 ILE CB
C A 0030 LEU CD1 3.800 E A 0044 GLN CG
C A 0031 ILE C 2.446 C A 0032 SER CA
C A 0031 ILE C 3.726 C A 0032 SER C
C A 0031 ILE C 3.177 C A 0032 SER CB
C A 0031 ILE CG1 3.776 E A 0043 THR CB
C A 0031 ILE CD1 3.456 E A 0043 THR CG2
C A 0032 SER C 2.447 E A 0033 GLY CA
C A 0032 SER C 3.708 E A 0033 GLY C
E A 0033 GLY C 2.447 E A 0034 THR CA
E A 0033 GLY C 3.525 E A 0034 THR C
E A 0033 GLY C 3.493 E A 0034 THR CB
E A 0034 THR C 2.453 E A 0035 CYS CA
E A 0034 THR C 3.320 E A 0035 CYS C
E A 0034 THR C 3.659 E A 0035 CYS CB
E A 0034 THR CG2 3.595 E A 0036 HIS CE1
E A 0035 CYS C 2.458 E A 0036 HIS CA
E A 0035 CYS C 3.556 E A 0036 HIS C
E A 0035 CYS C 3.452 E A 0036 HIS CB
E A 0035 CYS C 3.561 E A 0036 HIS CG
E A 0036 HIS C 2.444 C A 0037 ASN CA
E A 0036 HIS C 2.947 C A 0037 ASN C
E A 0036 HIS C 3.074 C A 0037 ASN CB
E A 0036 HIS C 3.757 C A 0037 ASN CG
E A 0036 HIS CB 3.545 E A 0041 PHE CD1
E A 0036 HIS CB 3.332 E A 0041 PHE CE1
E A 0036 HIS CG 3.742 E A 0041 PHE CD1
E A 0036 HIS CD2 3.374 E A 0041 PHE CB
E A 0036 HIS CD2 3.200 E A 0041 PHE CG
E A 0036 HIS CD2 3.282 E A 0041 PHE CD1
C A 0037 ASN C 2.470 C A 0038 TRP CA
C A 0037 ASN C 3.182 C A 0038 TRP C
C A 0037 ASN C 2.963 C A 0038 TRP CB
C A 0037 ASN C 3.350 C A 0038 TRP CG
C A 0037 ASN C 3.223 C A 0038 TRP CD1
C A 0038 TRP C 2.456 E A 0039 LYS CA
C A 0038 TRP C 3.444 E A 0039 LYS C
C A 0038 TRP C 3.555 E A 0039 LYS CB
C A 0038 TRP C 3.694 E A 0039 LYS CG
E A 0039 LYS C 2.439 E A 0040 CYS CA
E A 0039 LYS C 3.459 E A 0040 CYS C
E A 0039 LYS C 3.545 E A 0040 CYS CB
E A 0039 LYS CB 3.712 E A 0041 PHE CE1
E A 0040 CYS CA 3.786 E A 0041 PHE CA
E A 0040 CYS C 2.438 E A 0041 PHE CA
E A 0040 CYS C 3.464 E A 0041 PHE C
E A 0040 CYS C 3.506 E A 0041 PHE CB
E A 0040 CYS C 3.674 E A 0041 PHE CG
E A 0040 CYS C 3.145 E A 0041 PHE CD1
E A 0041 PHE CA 3.784 E A 0042 CYS CA
E A 0041 PHE C 2.408 E A 0042 CYS CA
E A 0041 PHE C 3.355 E A 0042 CYS C
E A 0041 PHE C 3.531 E A 0042 CYS CB
E A 0042 CYS C 2.434 E A 0043 THR CA
E A 0042 CYS C 3.392 E A 0043 THR C
E A 0042 CYS C 3.568 E A 0043 THR CB
E A 0043 THR C 2.437 E A 0044 GLN CA
E A 0043 THR C 3.600 E A 0044 GLN C
E A 0043 THR C 3.358 E A 0044 GLN CB
E A 0044 GLN C 2.445 E A 0045 ASN CA
E A 0044 GLN C 3.152 E A 0045 ASN C
E A 0044 GLN C 3.687 E A 0045 ASN CB
E A 0045 ASN C 2.450 C A 0046 CYS CA
E A 0045 ASN C 3.695 C A 0046 CYS C
E A 0045 ASN C 3.232 C A 0046 CYS CB
CHARGE_ATTR 2.00 12.00 45
E A 0004 GLU OE1 8.954 E A 0005 HIS ND1
E A 0004 GLU OE1 9.553 E A 0005 HIS NE2
E A 0004 GLU OE2 9.357 E A 0005 HIS ND1
E A 0004 GLU OE2 9.774 E A 0005 HIS NE2
E A 0004 GLU OE1 5.876 E A 0036 HIS ND1
E A 0004 GLU OE1 3.867 E A 0036 HIS NE2
E A 0004 GLU OE2 6.816 E A 0036 HIS ND1
E A 0004 GLU OE2 5.179 E A 0036 HIS NE2
C A 0008 ASP OD1 10.09 E A 0005 HIS ND1
C A 0008 ASP OD1 11.82 E A 0005 HIS NE2
C A 0008 ASP OD2 9.308 E A 0005 HIS ND1
C A 0008 ASP OD2 10.78 E A 0005 HIS NE2
C A 0008 ASP OD1 10.54 H A 0023 HIS ND1
C A 0008 ASP OD1 8.926 H A 0023 HIS NE2
C A 0008 ASP OD2 10.56 H A 0023 HIS ND1
C A 0008 ASP OD2 9.210 H A 0023 HIS NE2
C A 0008 ASP OD1 11.97 H A 0027 LYS NZ
C A 0008 ASP OD2 11.46 H A 0027 LYS NZ
C A 0008 ASP OD1 8.518 E A 0039 LYS NZ
C A 0008 ASP OD2 10.53 E A 0039 LYS NZ
H A 0021 ASP OD2 11.15 C A 0011 ARG NH2
H A 0021 ASP OD1 10.41 H A 0023 HIS ND1
H A 0021 ASP OD1 10.93 H A 0023 HIS NE2
H A 0021 ASP OD2 10.60 H A 0023 HIS ND1
H A 0021 ASP OD2 11.44 H A 0023 HIS NE2
H A 0021 ASP OD1 3.179 H A 0025 LYS NZ
H A 0021 ASP OD2 2.472 H A 0025 LYS NZ
H A 0021 ASP OD1 10.29 C A 0029 HIS ND1
H A 0021 ASP OD1 11.70 C A 0029 HIS NE2
H A 0021 ASP OD2 10.66 C A 0029 HIS ND1
H A 0021 ASP OD1 11.76 E A 0036 HIS NE2
H A 0022 ASP OD1 8.008 C A 0011 ARG NH1
H A 0022 ASP OD1 6.303 C A 0011 ARG NH2
H A 0022 ASP OD2 5.996 C A 0011 ARG NH1
H A 0022 ASP OD2 4.190 C A 0011 ARG NH2
H A 0022 ASP OD1 8.470 H A 0023 HIS ND1
H A 0022 ASP OD1 10.26 H A 0023 HIS NE2
H A 0022 ASP OD2 7.022 H A 0023 HIS ND1
H A 0022 ASP OD2 8.838 H A 0023 HIS NE2
H A 0022 ASP OD1 7.134 H A 0025 LYS NZ
H A 0022 ASP OD2 8.775 H A 0025 LYS NZ
H A 0022 ASP OD1 10.20 H A 0027 LYS NZ
H A 0022 ASP OD2 8.748 H A 0027 LYS NZ
H A 0022 ASP OD1 10.44 C A 0029 HIS ND1
H A 0022 ASP OD2 11.66 C A 0029 HIS ND1
CHARGE_REPU 2.00 12.00 20
E A 0004 GLU OE1 11.30 H A 0021 ASP OD1
E A 0005 HIS ND1 11.29 E A 0036 HIS NE2
C A 0011 ARG NH1 8.395 H A 0023 HIS ND1
C A 0011 ARG NH1 9.539 H A 0023 HIS NE2
C A 0011 ARG NH2 7.185 H A 0023 HIS ND1
C A 0011 ARG NH2 8.732 H A 0023 HIS NE2
C A 0011 ARG NH1 9.733 H A 0027 LYS NZ
C A 0011 ARG NH2 8.057 H A 0027 LYS NZ
H A 0021 ASP OD1 7.964 H A 0022 ASP OD1
H A 0021 ASP OD1 8.932 H A 0022 ASP OD2
H A 0021 ASP OD2 6.432 H A 0022 ASP OD1
H A 0021 ASP OD2 7.629 H A 0022 ASP OD2
H A 0023 HIS ND1 11.89 H A 0025 LYS NZ
H A 0023 HIS ND1 5.619 H A 0027 LYS NZ
H A 0023 HIS NE2 7.107 H A 0027 LYS NZ
H A 0023 HIS NE2 11.55 E A 0036 HIS NE2
H A 0025 LYS NZ 9.120 C A 0029 HIS ND1
H A 0025 LYS NZ 10.39 C A 0029 HIS NE2
E A 0036 HIS ND1 10.64 E A 0039 LYS NZ
E A 0036 HIS NE2 11.43 E A 0039 LYS NZ
HB_MM 2.00 3.20 69
E A 0002 THR N 2.252 C A 0001 LYS O
E A 0003 CYS N 2.247 E A 0002 THR O
E A 0003 CYS N 3.129 E A 0044 GLN O
E A 0004 GLU N 2.250 E A 0003 CYS O
E A 0005 HIS N 2.253 E A 0004 GLU O
E A 0006 LEU N 2.261 E A 0005 HIS O
C A 0007 ALA N 2.250 E A 0006 LEU O
C A 0007 ALA N 3.173 E A 0040 CYS O
C A 0008 ASP N 2.256 C A 0007 ALA O
C A 0009 THR N 2.249 C A 0008 ASP O
C A 0010 TYR N 2.259 C A 0009 THR O
C A 0011 ARG N 2.238 C A 0010 TYR O
C A 0012 GLY N 2.252 C A 0011 ARG O
C A 0013 VAL N 3.017 C A 0011 ARG O
C A 0013 VAL N 2.251 C A 0012 GLY O
C A 0014 CYS N 2.258 C A 0013 VAL O
C A 0015 PHE N 2.257 C A 0014 CYS O
H A 0016 THR N 2.254 C A 0015 PHE O
H A 0017 ASN N 2.262 H A 0016 THR O
H A 0018 ALA N 2.863 H A 0016 THR O
H A 0018 ALA N 2.252 H A 0017 ASN O
H A 0019 SER N 2.806 H A 0016 THR O
H A 0019 SER N 2.254 H A 0018 ALA O
H A 0020 CYS N 2.254 H A 0019 SER O
H A 0021 ASP N 2.258 H A 0020 CYS O
H A 0021 ASP N 3.055 E A 0033 GLY O
H A 0022 ASP N 3.084 H A 0018 ALA O
H A 0022 ASP N 2.267 H A 0021 ASP O
H A 0023 HIS N 2.261 H A 0022 ASP O
H A 0024 CYS N 2.484 H A 0020 CYS O
H A 0024 CYS N 3.184 H A 0021 ASP O
H A 0024 CYS N 2.247 H A 0023 HIS O
H A 0025 LYS N 2.790 H A 0021 ASP O
H A 0025 LYS N 2.254 H A 0024 CYS O
H A 0026 ASN N 2.711 H A 0022 ASP O
H A 0026 ASN N 3.165 H A 0023 HIS O
H A 0026 ASN N 3.132 H A 0024 CYS O
H A 0026 ASN N 2.255 H A 0025 LYS O
H A 0027 LYS N 2.511 H A 0023 HIS O
H A 0027 LYS N 3.119 H A 0024 CYS O
H A 0027 LYS N 2.246 H A 0026 ASN O
H A 0028 ALA N 2.538 H A 0024 CYS O
H A 0028 ALA N 2.247 H A 0027 LYS O
C A 0029 HIS N 2.269 H A 0028 ALA O
C A 0030 LEU N 2.369 H A 0028 ALA O
C A 0030 LEU N 2.247 C A 0029 HIS O
C A 0031 ILE N 2.251 C A 0030 LEU O
C A 0032 SER N 2.247 C A 0031 ILE O
E A 0033 GLY N 2.267 C A 0032 SER O
E A 0034 THR N 2.252 E A 0033 GLY O
E A 0034 THR N 3.061 E A 0041 PHE O
E A 0035 CYS N 2.263 E A 0034 THR O
E A 0036 HIS N 2.258 E A 0035 CYS O
E A 0036 HIS N 2.550 E A 0039 LYS O
C A 0037 ASN N 2.249 E A 0036 HIS O
C A 0038 TRP N 3.068 E A 0036 HIS O
C A 0038 TRP N 2.264 C A 0037 ASN O
E A 0039 LYS N 2.625 E A 0036 HIS O
E A 0039 LYS N 2.253 C A 0038 TRP O
E A 0040 CYS N 2.251 E A 0039 LYS O
E A 0041 PHE N 3.027 E A 0034 THR O
E A 0041 PHE N 2.257 E A 0040 CYS O
E A 0042 CYS N 2.731 E A 0005 HIS O
E A 0042 CYS N 2.241 E A 0041 PHE O
E A 0043 THR N 2.745 C A 0032 SER O
E A 0043 THR N 2.250 E A 0042 CYS O
E A 0044 GLN N 2.257 E A 0043 THR O
E A 0045 ASN N 2.251 E A 0044 GLN O
C A 0046 CYS N 2.254 E A 0045 ASN O
HB_MS 2.00 3.20 5
E A 0004 GLU O 3.150 E A 0005 HIS ND1
C A 0013 VAL O 2.962 C A 0010 TYR OH
H A 0022 ASP O 2.867 H A 0026 ASN ND2
C A 0031 ILE O 2.713 C A 0032 SER OG
E A 0035 CYS N 2.645 E A 0034 THR OG1
HB_SS 2.00 3.20 2
H A 0022 ASP OD1 2.746 H A 0026 ASN ND2
H A 0022 ASP OD2 3.105 H A 0026 ASN ND2
AROMATIC 0.00 8.00 3
E A 0036 HIS 4.347 E A 0041 PHE
C A 0011 ARG 7.735 H A 0023 HIS
H A 0027 LYS 6.754 H A 0023 HIS
SS_BOND 1.50 2.80 4
E A 0003 CYS SG 2.026 C A 0046 CYS SG
C A 0014 CYS SG 2.031 E A 0035 CYS SG
H A 0020 CYS SG 2.029 E A 0040 CYS SG
H A 0024 CYS SG 2.036 E A 0042 CYS SG