Complet list of 1jjd con file
Complete list of 1jjd.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 199
C A 0005 THR C 2.446 C A 0006 LEU CA
C A 0005 THR C 3.221 C A 0006 LEU C
C A 0005 THR C 3.711 C A 0006 LEU CB
C A 0006 LEU C 2.470 C A 0007 VAL CA
C A 0006 LEU C 3.446 C A 0007 VAL C
C A 0006 LEU C 3.549 C A 0007 VAL CB
C A 0006 LEU C 3.586 C A 0007 VAL CG1
C A 0007 VAL C 2.457 C A 0008 LYS CA
C A 0007 VAL C 3.038 C A 0008 LYS C
C A 0007 VAL C 3.782 C A 0008 LYS CB
C A 0007 VAL CG1 3.799 C A 0020 PRO CD
C A 0007 VAL CG2 3.146 E A 0030 TYR CD2
C A 0007 VAL CG2 3.229 E A 0030 TYR CE2
C A 0008 LYS C 2.463 C A 0009 CYS CA
C A 0008 LYS C 3.294 C A 0009 CYS C
C A 0008 LYS C 3.643 C A 0009 CYS CB
C A 0009 CYS C 2.446 C A 0010 ALA CA
C A 0009 CYS C 3.210 C A 0010 ALA C
C A 0009 CYS C 3.693 C A 0010 ALA CB
C A 0010 ALA C 2.446 C A 0011 CYS CA
C A 0010 ALA C 3.231 C A 0011 CYS C
C A 0010 ALA C 3.658 C A 0011 CYS CB
C A 0010 ALA CB 3.608 C A 0029 LEU CG
C A 0010 ALA CB 3.446 C A 0029 LEU CD1
C A 0010 ALA CB 3.655 E A 0031 TYR CD1
C A 0010 ALA CB 3.471 E A 0031 TYR CE1
C A 0011 CYS C 2.451 C A 0012 GLU CA
C A 0011 CYS C 2.922 C A 0012 GLU C
C A 0011 CYS C 3.648 C A 0013 PRO CD
C A 0011 CYS CB 3.374 C A 0014 CYS CB
C A 0012 GLU CA 2.984 C A 0013 PRO CD
C A 0012 GLU C 2.424 C A 0013 PRO CA
C A 0012 GLU C 3.134 C A 0013 PRO C
C A 0012 GLU C 3.610 C A 0013 PRO CB
C A 0012 GLU C 3.638 C A 0013 PRO CG
C A 0012 GLU C 2.482 C A 0013 PRO CD
C A 0012 GLU CB 3.259 C A 0013 PRO CD
C A 0013 PRO C 2.450 C A 0014 CYS CA
C A 0013 PRO C 3.093 C A 0014 CYS C
C A 0013 PRO C 3.727 C A 0014 CYS CB
C A 0014 CYS C 2.462 C A 0015 LEU CA
C A 0014 CYS C 3.255 C A 0015 LEU C
C A 0014 CYS C 3.701 C A 0015 LEU CB
C A 0014 CYS CA 3.756 C A 0054 CYS CB
C A 0014 CYS CB 3.742 C A 0054 CYS CB
C A 0015 LEU C 2.450 C A 0016 CYS CA
C A 0015 LEU C 3.143 C A 0016 CYS C
C A 0015 LEU C 3.750 C A 0016 CYS CB
C A 0016 CYS C 2.449 C A 0017 ASN CA
C A 0016 CYS C 3.381 C A 0017 ASN C
C A 0016 CYS C 3.507 C A 0017 ASN CB
C A 0016 CYS C 3.606 C A 0017 ASN CG
C A 0017 ASN C 2.464 C A 0018 VAL CA
C A 0017 ASN C 3.470 C A 0018 VAL C
C A 0017 ASN C 3.539 C A 0018 VAL CB
C A 0017 ASN C 3.468 C A 0018 VAL CG1
C A 0018 VAL C 2.467 C A 0019 ASP CA
C A 0018 VAL C 3.414 C A 0019 ASP C
C A 0018 VAL C 3.550 C A 0019 ASP CB
C A 0018 VAL CG2 3.696 C A 0023 ALA CB
C A 0018 VAL CG1 3.450 C A 0032 CYS CB
C A 0019 ASP CA 2.994 C A 0020 PRO CD
C A 0019 ASP C 2.443 C A 0020 PRO CA
C A 0019 ASP C 3.233 C A 0020 PRO C
C A 0019 ASP C 3.533 C A 0020 PRO CB
C A 0019 ASP C 3.646 C A 0020 PRO CG
C A 0019 ASP C 2.474 C A 0020 PRO CD
C A 0019 ASP CB 3.575 C A 0020 PRO CD
C A 0019 ASP CG 3.481 C A 0020 PRO CD
C A 0020 PRO C 2.464 C A 0021 SER CA
C A 0020 PRO C 3.243 C A 0021 SER C
C A 0020 PRO C 3.701 C A 0021 SER CB
C A 0020 PRO CB 3.528 E A 0030 TYR CD1
C A 0020 PRO CB 3.748 E A 0030 TYR CE1
C A 0021 SER C 2.480 C A 0022 LYS CA
C A 0021 SER C 3.480 C A 0022 LYS C
C A 0021 SER C 3.573 C A 0022 LYS CB
C A 0022 LYS C 2.452 C A 0023 ALA CA
C A 0022 LYS C 3.108 C A 0023 ALA C
C A 0022 LYS C 3.731 C A 0023 ALA CB
C A 0023 ALA C 2.445 E A 0024 ILE CA
C A 0023 ALA C 3.101 E A 0024 ILE C
C A 0023 ALA C 3.696 E A 0024 ILE CB
E A 0024 ILE C 2.443 E A 0025 ASP CA
E A 0024 ILE C 3.195 E A 0025 ASP C
E A 0024 ILE C 3.707 E A 0025 ASP CB
E A 0024 ILE CD1 3.670 H A 0033 SER C
E A 0025 ASP C 2.452 C A 0026 ARG CA
E A 0025 ASP C 3.222 C A 0026 ARG C
E A 0025 ASP C 3.730 C A 0026 ARG CB
C A 0026 ARG C 2.450 C A 0027 ASN CA
C A 0026 ARG C 3.638 C A 0027 ASN C
C A 0026 ARG C 3.194 C A 0027 ASN CB
C A 0027 ASN C 2.458 C A 0028 GLY CA
C A 0027 ASN C 3.293 C A 0028 GLY C
C A 0028 GLY C 2.476 C A 0029 LEU CA
C A 0028 GLY C 3.444 C A 0029 LEU C
C A 0028 GLY C 3.540 C A 0029 LEU CB
C A 0029 LEU C 2.485 E A 0030 TYR CA
C A 0029 LEU C 3.304 E A 0030 TYR C
C A 0029 LEU C 3.734 E A 0030 TYR CB
C A 0029 LEU C 3.737 E A 0030 TYR CG
C A 0029 LEU CD2 3.465 E A 0031 TYR CZ
E A 0030 TYR C 2.458 E A 0031 TYR CA
E A 0030 TYR C 3.463 E A 0031 TYR C
E A 0030 TYR C 3.591 E A 0031 TYR CB
E A 0030 TYR C 3.698 E A 0031 TYR CG
E A 0031 TYR C 2.441 C A 0032 CYS CA
E A 0031 TYR C 2.968 C A 0032 CYS C
E A 0031 TYR C 3.783 C A 0032 CYS CB
E A 0031 TYR CD1 3.218 H A 0036 CYS C
E A 0031 TYR CE1 3.622 H A 0036 CYS C
E A 0031 TYR CG 3.416 H A 0037 ALA CA
E A 0031 TYR CG 3.639 H A 0037 ALA CB
E A 0031 TYR CD1 3.509 H A 0037 ALA CA
E A 0031 TYR CD2 3.682 H A 0037 ALA CA
E A 0031 TYR CD2 3.619 H A 0037 ALA CB
E A 0031 TYR CE1 3.713 H A 0037 ALA CA
C A 0032 CYS C 2.478 H A 0033 SER CA
C A 0032 CYS C 3.378 H A 0033 SER C
C A 0032 CYS C 3.607 H A 0033 SER CB
H A 0033 SER CA 3.799 H A 0034 GLU CA
H A 0033 SER C 2.431 H A 0034 GLU CA
H A 0033 SER C 2.891 H A 0034 GLU C
H A 0033 SER C 3.795 H A 0034 GLU CB
H A 0034 GLU C 2.429 H A 0035 ALA CA
H A 0034 GLU C 2.981 H A 0035 ALA C
H A 0034 GLU C 3.758 H A 0035 ALA CB
H A 0035 ALA C 2.433 H A 0036 CYS CA
H A 0035 ALA C 3.067 H A 0036 CYS C
H A 0035 ALA C 3.755 H A 0036 CYS CB
H A 0035 ALA CB 3.623 C A 0040 HIS CE1
H A 0036 CYS C 2.452 H A 0037 ALA CA
H A 0036 CYS C 3.150 H A 0037 ALA C
H A 0036 CYS C 3.751 H A 0037 ALA CB
H A 0037 ALA C 2.436 H A 0038 ASP CA
H A 0037 ALA C 3.062 H A 0038 ASP C
H A 0037 ALA C 3.749 H A 0038 ASP CB
H A 0038 ASP C 2.444 H A 0039 GLY CA
H A 0038 ASP C 3.199 H A 0039 GLY C
H A 0039 GLY C 2.452 C A 0040 HIS CA
H A 0039 GLY C 2.884 C A 0040 HIS C
H A 0039 GLY C 3.071 C A 0040 HIS CB
H A 0039 GLY C 3.511 C A 0040 HIS CG
H A 0039 GLY C 3.548 C A 0040 HIS CD2
C A 0040 HIS C 2.436 C A 0041 THR CA
C A 0040 HIS C 2.960 C A 0041 THR C
C A 0040 HIS C 3.784 C A 0041 THR CB
C A 0040 HIS CE1 3.492 C A 0046 GLY C
C A 0040 HIS CD2 3.212 C A 0055 HIS C
C A 0041 THR C 2.450 C A 0042 GLY CA
C A 0041 THR C 3.007 C A 0042 GLY C
C A 0042 GLY C 2.452 C A 0043 GLY CA
C A 0042 GLY C 3.195 C A 0043 GLY C
C A 0043 GLY CA 3.776 C A 0044 SER CA
C A 0043 GLY C 2.467 C A 0044 SER CA
C A 0043 GLY C 3.305 C A 0044 SER C
C A 0043 GLY C 3.698 C A 0044 SER CB
C A 0044 SER CA 3.799 C A 0045 LYS CA
C A 0044 SER C 2.451 C A 0045 LYS CA
C A 0044 SER C 3.294 C A 0045 LYS C
C A 0044 SER C 3.791 C A 0045 LYS CB
C A 0044 SER CB 3.679 C A 0045 LYS CD
C A 0044 SER CB 3.721 C A 0045 LYS CE
C A 0045 LYS CA 3.569 C A 0046 GLY CA
C A 0045 LYS C 2.432 C A 0046 GLY CA
C A 0045 LYS C 3.124 C A 0046 GLY C
C A 0045 LYS CB 3.555 C A 0046 GLY CA
C A 0046 GLY CA 3.741 C A 0047 CYS CA
C A 0046 GLY C 2.476 C A 0047 CYS CA
C A 0046 GLY C 3.550 C A 0047 CYS C
C A 0046 GLY C 3.407 C A 0047 CYS CB
C A 0047 CYS C 2.444 C A 0048 GLY CA
C A 0047 CYS C 3.221 C A 0048 GLY C
C A 0048 GLY C 2.467 C A 0049 HIS CA
C A 0048 GLY C 3.391 C A 0049 HIS C
C A 0048 GLY C 3.516 C A 0049 HIS CB
C A 0049 HIS CA 3.800 C A 0050 THR CA
C A 0049 HIS C 2.432 C A 0050 THR CA
C A 0049 HIS C 3.218 C A 0050 THR C
C A 0049 HIS C 3.744 C A 0050 THR CB
C A 0050 THR C 2.461 C A 0051 GLY CA
C A 0050 THR C 3.121 C A 0051 GLY C
C A 0051 GLY C 2.429 C A 0052 CYS CA
C A 0051 GLY C 3.174 C A 0052 CYS C
C A 0051 GLY C 3.695 C A 0052 CYS CB
C A 0052 CYS C 2.454 C A 0053 ASN CA
C A 0052 CYS C 3.290 C A 0053 ASN C
C A 0052 CYS C 3.633 C A 0053 ASN CB
C A 0053 ASN C 2.445 C A 0054 CYS CA
C A 0053 ASN C 3.209 C A 0054 CYS C
C A 0053 ASN C 3.764 C A 0054 CYS CB
C A 0054 CYS C 2.462 C A 0055 HIS CA
C A 0054 CYS C 3.221 C A 0055 HIS C
C A 0054 CYS C 3.667 C A 0055 HIS CB
C A 0054 CYS C 3.783 C A 0055 HIS CG
C A 0054 CYS C 3.357 C A 0055 HIS CD2
C A 0055 HIS C 2.455 C A 0056 GLY CA
C A 0055 HIS C 3.493 C A 0056 GLY C
CHARGE_ATTR 2.00 12.00 24
C A 0012 GLU OE1 8.544 C A 0008 LYS NZ
C A 0012 GLU OE2 7.017 C A 0008 LYS NZ
C A 0012 GLU OE1 10.14 C A 0055 HIS ND1
C A 0012 GLU OE1 11.36 C A 0055 HIS NE2
C A 0012 GLU OE2 11.80 C A 0055 HIS ND1
C A 0019 ASP OD1 9.419 C A 0022 LYS NZ
C A 0019 ASP OD2 8.289 C A 0022 LYS NZ
E A 0025 ASP OD1 11.42 C A 0022 LYS NZ
E A 0025 ASP OD2 11.53 C A 0026 ARG NH1
E A 0025 ASP OD2 11.74 C A 0026 ARG NH2
H A 0034 GLU OE1 11.54 C A 0026 ARG NH1
H A 0034 GLU OE1 11.42 C A 0026 ARG NH2
H A 0034 GLU OE2 11.42 C A 0026 ARG NH1
H A 0034 GLU OE2 11.02 C A 0026 ARG NH2
H A 0034 GLU OE1 10.70 C A 0040 HIS ND1
H A 0034 GLU OE1 11.37 C A 0040 HIS NE2
H A 0038 ASP OD1 7.947 C A 0026 ARG NH1
H A 0038 ASP OD1 8.206 C A 0026 ARG NH2
H A 0038 ASP OD2 8.994 C A 0026 ARG NH1
H A 0038 ASP OD2 9.510 C A 0026 ARG NH2
H A 0038 ASP OD1 9.224 C A 0040 HIS ND1
H A 0038 ASP OD1 9.732 C A 0040 HIS NE2
H A 0038 ASP OD2 7.735 C A 0040 HIS ND1
H A 0038 ASP OD2 8.283 C A 0040 HIS NE2
CHARGE_REPU 2.00 12.00 20
C A 0019 ASP OD1 10.16 E A 0025 ASP OD1
C A 0019 ASP OD1 11.74 E A 0025 ASP OD2
C A 0019 ASP OD2 9.122 E A 0025 ASP OD1
C A 0019 ASP OD2 10.71 E A 0025 ASP OD2
H A 0034 GLU OE1 5.378 H A 0038 ASP OD1
H A 0034 GLU OE1 4.264 H A 0038 ASP OD2
H A 0034 GLU OE2 6.622 H A 0038 ASP OD1
H A 0034 GLU OE2 5.826 H A 0038 ASP OD2
C A 0040 HIS ND1 10.35 C A 0045 LYS NZ
C A 0040 HIS NE2 11.71 C A 0045 LYS NZ
C A 0040 HIS ND1 10.38 C A 0049 HIS ND1
C A 0040 HIS ND1 9.281 C A 0049 HIS NE2
C A 0040 HIS NE2 10.05 C A 0049 HIS ND1
C A 0040 HIS NE2 8.662 C A 0049 HIS NE2
C A 0040 HIS ND1 8.400 C A 0055 HIS ND1
C A 0040 HIS ND1 8.280 C A 0055 HIS NE2
C A 0040 HIS NE2 8.255 C A 0055 HIS ND1
C A 0040 HIS NE2 8.300 C A 0055 HIS NE2
C A 0045 LYS NZ 9.337 C A 0055 HIS ND1
C A 0045 LYS NZ 7.846 C A 0055 HIS NE2
HB_MM 2.00 3.20 69
C A 0006 LEU N 2.258 C A 0005 THR O
C A 0007 VAL N 2.275 C A 0006 LEU O
C A 0007 VAL N 2.845 C A 0018 VAL O
C A 0008 LYS N 2.256 C A 0007 VAL O
C A 0009 CYS N 2.265 C A 0008 LYS O
C A 0010 ALA N 2.246 C A 0009 CYS O
C A 0010 ALA N 3.031 E A 0030 TYR O
C A 0011 CYS N 3.166 C A 0009 CYS O
C A 0011 CYS N 2.252 C A 0010 ALA O
C A 0012 GLU N 2.256 C A 0011 CYS O
C A 0013 PRO N 2.241 C A 0012 GLU O
C A 0014 CYS N 3.024 C A 0011 CYS O
C A 0014 CYS N 3.036 C A 0012 GLU O
C A 0014 CYS N 2.256 C A 0013 PRO O
C A 0015 LEU N 2.274 C A 0014 CYS O
C A 0016 CYS N 2.255 C A 0015 LEU O
C A 0017 ASN N 2.272 C A 0016 CYS O
C A 0018 VAL N 2.928 C A 0007 VAL O
C A 0018 VAL N 2.269 C A 0017 ASN O
C A 0019 ASP N 2.273 C A 0018 VAL O
C A 0020 PRO N 2.237 C A 0019 ASP O
C A 0021 SER N 2.265 C A 0020 PRO O
C A 0022 LYS N 2.267 C A 0021 SER O
C A 0023 ALA N 3.104 C A 0019 ASP O
C A 0023 ALA N 2.250 C A 0022 LYS O
E A 0024 ILE N 2.266 C A 0023 ALA O
E A 0024 ILE N 3.094 E A 0031 TYR O
E A 0025 ASP N 2.987 C A 0023 ALA O
E A 0025 ASP N 2.268 E A 0024 ILE O
C A 0026 ARG N 2.267 E A 0025 ASP O
C A 0027 ASN N 2.263 C A 0026 ARG O
C A 0028 GLY N 2.265 C A 0027 ASN O
C A 0029 LEU N 2.268 C A 0028 GLY O
E A 0030 TYR N 2.264 C A 0029 LEU O
E A 0031 TYR N 2.264 E A 0030 TYR O
C A 0032 CYS N 2.262 E A 0031 TYR O
H A 0033 SER N 2.261 C A 0032 CYS O
H A 0034 GLU N 2.260 H A 0033 SER O
H A 0035 ALA N 2.246 H A 0034 GLU O
H A 0036 CYS N 2.254 H A 0035 ALA O
H A 0037 ALA N 2.790 H A 0034 GLU O
H A 0037 ALA N 2.256 H A 0036 CYS O
H A 0038 ASP N 2.715 H A 0034 GLU O
H A 0038 ASP N 2.255 H A 0037 ALA O
H A 0039 GLY N 2.807 H A 0035 ALA O
H A 0039 GLY N 2.262 H A 0038 ASP O
C A 0040 HIS N 2.829 H A 0035 ALA O
C A 0040 HIS N 2.267 H A 0039 GLY O
C A 0041 THR N 3.043 H A 0039 GLY O
C A 0041 THR N 2.258 C A 0040 HIS O
C A 0042 GLY N 2.264 C A 0041 THR O
C A 0043 GLY N 2.572 C A 0041 THR O
C A 0043 GLY N 2.253 C A 0042 GLY O
C A 0044 SER N 2.282 C A 0043 GLY O
C A 0045 LYS N 2.253 C A 0044 SER O
C A 0046 GLY N 2.278 C A 0045 LYS O
C A 0046 GLY N 2.959 C A 0054 CYS O
C A 0047 CYS N 2.285 C A 0046 GLY O
C A 0048 GLY N 2.243 C A 0047 CYS O
C A 0049 HIS N 3.088 C A 0047 CYS O
C A 0049 HIS N 2.257 C A 0048 GLY O
C A 0050 THR N 2.243 C A 0049 HIS O
C A 0051 GLY N 2.267 C A 0050 THR O
C A 0052 CYS N 2.922 C A 0050 THR O
C A 0052 CYS N 2.256 C A 0051 GLY O
C A 0053 ASN N 2.254 C A 0052 CYS O
C A 0054 CYS N 2.257 C A 0053 ASN O
C A 0055 HIS N 2.269 C A 0054 CYS O
C A 0056 GLY N 2.263 C A 0055 HIS O
HB_MS 2.00 3.20 3
H A 0034 GLU N 2.869 H A 0033 SER OG
C A 0051 GLY N 3.136 C A 0050 THR OG1
C A 0053 ASN O 3.182 C A 0055 HIS NE2
AROMATIC 0.00 8.00 1
C A 0026 ARG 6.309 E A 0031 TYR