Complet list of 1edk con file
Complete list of 1edk.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 201
C A 0001 ALA C 2.484 C A 0002 GLN CA
C A 0001 ALA C 3.036 C A 0002 GLN C
C A 0001 ALA C 3.747 C A 0002 GLN CB
C A 0001 ALA C 3.736 C A 0004 ASP CB
C A 0002 GLN C 2.505 C A 0003 HIS CA
C A 0002 GLN C 3.034 C A 0003 HIS C
C A 0002 GLN C 3.297 C A 0003 HIS CB
C A 0002 GLN C 3.307 C A 0003 HIS CG
C A 0002 GLN C 3.698 C A 0003 HIS CD2
C A 0003 HIS C 2.460 C A 0004 ASP CA
C A 0003 HIS C 3.122 C A 0004 ASP C
C A 0003 HIS C 3.703 C A 0004 ASP CB
C A 0004 ASP C 2.463 H A 0005 GLU CA
C A 0004 ASP C 3.065 H A 0005 GLU C
C A 0004 ASP C 3.735 H A 0005 GLU CB
H A 0005 GLU C 2.451 H A 0006 ALA CA
H A 0005 GLU C 3.055 H A 0006 ALA C
H A 0005 GLU C 3.722 H A 0006 ALA CB
H A 0006 ALA C 2.460 H A 0007 GLN CA
H A 0006 ALA C 3.041 H A 0007 GLN C
H A 0006 ALA C 3.727 H A 0007 GLN CB
H A 0007 GLN C 2.463 H A 0008 GLN CA
H A 0007 GLN C 3.077 H A 0008 GLN C
H A 0007 GLN C 3.732 H A 0008 GLN CB
H A 0008 GLN C 2.458 H A 0009 ASN CA
H A 0008 GLN C 3.022 H A 0009 ASN C
H A 0008 GLN C 3.740 H A 0009 ASN CB
H A 0009 ASN C 2.451 H A 0010 ALA CA
H A 0009 ASN C 3.003 H A 0010 ALA C
H A 0009 ASN C 3.731 H A 0010 ALA CB
H A 0009 ASN CG 3.668 H A 0013 GLN CD
H A 0010 ALA C 2.464 H A 0011 PHE CA
H A 0010 ALA C 3.010 H A 0011 PHE C
H A 0010 ALA C 3.742 H A 0011 PHE CB
H A 0011 PHE C 2.461 H A 0012 TYR CA
H A 0011 PHE C 3.008 H A 0012 TYR C
H A 0011 PHE C 3.733 H A 0012 TYR CB
H A 0011 PHE CE1 3.762 H A 0032 LEU CB
H A 0012 TYR C 2.447 H A 0013 GLN CA
H A 0012 TYR C 3.073 H A 0013 GLN C
H A 0012 TYR C 3.715 H A 0013 GLN CB
H A 0012 TYR CE2 3.799 H A 0016 ASN CG
H A 0012 TYR CZ 3.588 H A 0016 ASN CG
H A 0013 GLN C 2.457 H A 0014 VAL CA
H A 0013 GLN C 2.993 H A 0014 VAL C
H A 0013 GLN C 3.749 H A 0014 VAL CB
H A 0014 VAL C 2.455 H A 0015 LEU CA
H A 0014 VAL C 3.042 H A 0015 LEU C
H A 0014 VAL C 3.739 H A 0015 LEU CB
H A 0014 VAL CG1 3.743 H A 0028 PHE CB
H A 0014 VAL CG1 3.788 H A 0029 ILE CG1
H A 0015 LEU C 2.480 H A 0016 ASN CA
H A 0015 LEU C 3.246 H A 0016 ASN C
H A 0015 LEU C 3.697 H A 0016 ASN CB
H A 0015 LEU CD2 3.559 H A 0029 ILE CD1
H A 0016 ASN C 2.489 C A 0017 MET CA
H A 0016 ASN C 3.573 C A 0017 MET C
H A 0016 ASN C 3.398 C A 0017 MET CB
H A 0016 ASN C 3.708 C A 0017 MET CG
C A 0017 MET CA 2.955 C A 0018 PRO CD
C A 0017 MET C 2.469 C A 0018 PRO CA
C A 0017 MET C 3.185 C A 0018 PRO C
C A 0017 MET C 3.667 C A 0018 PRO CB
C A 0017 MET C 3.686 C A 0018 PRO CG
C A 0017 MET C 2.499 C A 0018 PRO CD
C A 0017 MET CB 3.678 C A 0020 LEU CD1
C A 0017 MET CE 3.631 H A 0047 GLN CA
C A 0017 MET CE 3.765 H A 0047 GLN CB
C A 0018 PRO C 2.449 C A 0019 ASN CA
C A 0018 PRO C 3.268 C A 0019 ASN C
C A 0018 PRO C 3.664 C A 0019 ASN CB
C A 0019 ASN C 2.447 C A 0020 LEU CA
C A 0019 ASN C 3.116 C A 0020 LEU C
C A 0019 ASN C 3.730 C A 0020 LEU CB
C A 0019 ASN CB 3.749 H A 0050 ASN CG
C A 0020 LEU C 2.449 C A 0021 ASN CA
C A 0020 LEU C 3.238 C A 0021 ASN C
C A 0020 LEU C 3.660 C A 0021 ASN CB
C A 0021 ASN C 2.462 H A 0022 ALA CA
C A 0021 ASN C 3.006 H A 0022 ALA C
C A 0021 ASN C 3.726 H A 0022 ALA CB
C A 0021 ASN CG 3.738 H A 0024 GLN CG
C A 0021 ASN CG 3.597 H A 0024 GLN CD
H A 0022 ALA C 2.469 H A 0023 ASP CA
H A 0022 ALA C 3.010 H A 0023 ASP C
H A 0022 ALA C 3.740 H A 0023 ASP CB
H A 0023 ASP C 2.466 H A 0024 GLN CA
H A 0023 ASP C 3.047 H A 0024 GLN C
H A 0023 ASP C 3.727 H A 0024 GLN CB
H A 0024 GLN C 2.442 H A 0025 ARG CA
H A 0024 GLN C 3.060 H A 0025 ARG C
H A 0024 GLN C 3.736 H A 0025 ARG CB
H A 0024 GLN CD 3.555 H A 0049 LEU CD2
H A 0025 ARG C 2.458 H A 0026 ASN CA
H A 0025 ARG C 3.028 H A 0026 ASN C
H A 0025 ARG C 3.748 H A 0026 ASN CB
H A 0026 ASN C 2.464 H A 0027 GLY CA
H A 0026 ASN C 2.991 H A 0027 GLY C
H A 0027 GLY C 2.453 H A 0028 PHE CA
H A 0027 GLY C 3.035 H A 0028 PHE C
H A 0027 GLY C 3.739 H A 0028 PHE CB
H A 0028 PHE C 2.470 H A 0029 ILE CA
H A 0028 PHE C 3.012 H A 0029 ILE C
H A 0028 PHE C 3.753 H A 0029 ILE CB
H A 0028 PHE CE1 3.704 H A 0045 GLU CB
H A 0028 PHE CD2 3.674 H A 0046 ALA CB
H A 0028 PHE CE2 3.659 H A 0046 ALA CA
H A 0028 PHE CZ 3.787 H A 0046 ALA CA
H A 0028 PHE CE2 3.797 H A 0049 LEU CD2
H A 0029 ILE C 2.454 H A 0030 GLN CA
H A 0029 ILE C 3.009 H A 0030 GLN C
H A 0029 ILE C 3.743 H A 0030 GLN CB
H A 0030 GLN C 2.460 H A 0031 SER CA
H A 0030 GLN C 3.017 H A 0031 SER C
H A 0030 GLN C 3.735 H A 0031 SER CB
H A 0031 SER C 2.482 H A 0032 LEU CA
H A 0031 SER C 3.084 H A 0032 LEU C
H A 0031 SER C 3.734 H A 0032 LEU CB
H A 0032 LEU C 2.473 H A 0033 LYS CA
H A 0032 LEU C 3.055 H A 0033 LYS C
H A 0032 LEU C 3.745 H A 0033 LYS CB
H A 0032 LEU CD2 3.790 H A 0039 SER CB
H A 0032 LEU CG 3.781 H A 0042 VAL CG1
H A 0033 LYS C 2.463 H A 0034 ASP CA
H A 0033 LYS C 3.060 H A 0034 ASP C
H A 0033 LYS C 3.737 H A 0034 ASP CB
H A 0034 ASP C 2.473 C A 0035 ASP CA
H A 0034 ASP C 3.553 C A 0035 ASP C
H A 0034 ASP C 3.453 C A 0035 ASP CB
H A 0034 ASP C 3.496 C A 0035 ASP CG
H A 0034 ASP C 3.566 H A 0036 PRO CD
C A 0035 ASP CA 2.959 H A 0036 PRO CD
C A 0035 ASP C 2.462 H A 0036 PRO CA
C A 0035 ASP C 3.068 H A 0036 PRO C
C A 0035 ASP C 3.675 H A 0036 PRO CB
C A 0035 ASP C 3.679 H A 0036 PRO CG
C A 0035 ASP C 2.504 H A 0036 PRO CD
H A 0036 PRO C 2.466 H A 0037 SER CA
H A 0036 PRO C 3.004 H A 0037 SER C
H A 0036 PRO C 3.716 H A 0037 SER CB
H A 0037 SER C 2.477 H A 0038 GLN CA
H A 0037 SER C 3.403 H A 0038 GLN C
H A 0037 SER C 3.605 H A 0038 GLN CB
H A 0037 SER C 3.783 H A 0038 GLN CG
H A 0038 GLN C 2.458 H A 0039 SER CA
H A 0038 GLN C 2.997 H A 0039 SER C
H A 0038 GLN C 3.746 H A 0039 SER CB
H A 0039 SER C 2.471 H A 0040 ALA CA
H A 0039 SER C 3.048 H A 0040 ALA C
H A 0039 SER C 3.727 H A 0040 ALA CB
H A 0040 ALA C 2.457 H A 0041 ASN CA
H A 0040 ALA C 3.046 H A 0041 ASN C
H A 0040 ALA C 3.721 H A 0041 ASN CB
H A 0041 ASN C 2.470 H A 0042 VAL CA
H A 0041 ASN C 3.018 H A 0042 VAL C
H A 0041 ASN C 3.733 H A 0042 VAL CB
H A 0042 VAL C 2.478 H A 0043 LEU CA
H A 0042 VAL C 2.997 H A 0043 LEU C
H A 0042 VAL C 3.727 H A 0043 LEU CB
H A 0043 LEU C 2.472 H A 0044 GLY CA
H A 0043 LEU C 3.040 H A 0044 GLY C
H A 0044 GLY C 2.472 H A 0045 GLU CA
H A 0044 GLY C 3.048 H A 0045 GLU C
H A 0044 GLY C 3.732 H A 0045 GLU CB
H A 0045 GLU C 2.460 H A 0046 ALA CA
H A 0045 GLU C 3.041 H A 0046 ALA C
H A 0045 GLU C 3.723 H A 0046 ALA CB
H A 0046 ALA C 2.461 H A 0047 GLN CA
H A 0046 ALA C 3.049 H A 0047 GLN C
H A 0046 ALA C 3.729 H A 0047 GLN CB
H A 0047 GLN C 2.458 H A 0048 LYS CA
H A 0047 GLN C 3.050 H A 0048 LYS C
H A 0047 GLN C 3.722 H A 0048 LYS CB
H A 0048 LYS C 2.453 H A 0049 LEU CA
H A 0048 LYS C 3.068 H A 0049 LEU C
H A 0048 LYS C 3.726 H A 0049 LEU CB
H A 0049 LEU C 2.465 H A 0050 ASN CA
H A 0049 LEU C 3.006 H A 0050 ASN C
H A 0049 LEU C 3.734 H A 0050 ASN CB
H A 0050 ASN C 2.468 H A 0051 ASP CA
H A 0050 ASN C 3.042 H A 0051 ASP C
H A 0050 ASN C 3.727 H A 0051 ASP CB
H A 0051 ASP C 2.457 H A 0052 SER CA
H A 0051 ASP C 3.048 H A 0052 SER C
H A 0051 ASP C 3.730 H A 0052 SER CB
H A 0052 SER C 2.471 C A 0053 GLN CA
H A 0052 SER C 3.319 C A 0053 GLN C
H A 0052 SER C 3.657 C A 0053 GLN CB
C A 0053 GLN C 2.450 C A 0054 ALA CA
C A 0053 GLN C 3.063 C A 0054 ALA C
C A 0053 GLN C 3.720 C A 0054 ALA CB
C A 0054 ALA CA 2.967 C A 0055 PRO CD
C A 0054 ALA C 2.479 C A 0055 PRO CA
C A 0054 ALA C 3.010 C A 0055 PRO C
C A 0054 ALA C 3.683 C A 0055 PRO CB
C A 0054 ALA C 3.683 C A 0055 PRO CG
C A 0054 ALA C 2.501 C A 0055 PRO CD
C A 0055 PRO C 2.475 C A 0056 LYS CA
C A 0055 PRO C 3.397 C A 0056 LYS C
C A 0055 PRO C 3.604 C A 0056 LYS CB
C A 0055 PRO C 3.665 C A 0056 LYS CD
CHARGE_ATTR 2.00 12.00 18
C A 0004 ASP OD1 7.391 C A 0003 HIS ND1
C A 0004 ASP OD1 9.037 C A 0003 HIS NE2
C A 0004 ASP OD2 8.293 C A 0003 HIS ND1
C A 0004 ASP OD2 10.05 C A 0003 HIS NE2
H A 0005 GLU OE1 8.551 C A 0003 HIS ND1
H A 0005 GLU OE1 10.54 C A 0003 HIS NE2
H A 0005 GLU OE2 8.882 C A 0003 HIS ND1
H A 0005 GLU OE2 10.96 C A 0003 HIS NE2
H A 0023 ASP OD1 11.12 H A 0025 ARG NH1
H A 0023 ASP OD1 10.06 H A 0025 ARG NH2
H A 0023 ASP OD2 11.11 H A 0025 ARG NH2
H A 0034 ASP OD1 7.026 H A 0033 LYS NZ
H A 0034 ASP OD2 8.451 H A 0033 LYS NZ
C A 0035 ASP OD1 11.39 H A 0033 LYS NZ
H A 0045 GLU OE1 10.19 H A 0048 LYS NZ
H A 0045 GLU OE2 9.468 H A 0048 LYS NZ
H A 0051 ASP OD1 8.203 H A 0048 LYS NZ
H A 0051 ASP OD2 6.690 H A 0048 LYS NZ
CHARGE_REPU 2.00 12.00 13
C A 0004 ASP OD1 6.190 H A 0005 GLU OE1
C A 0004 ASP OD1 7.680 H A 0005 GLU OE2
C A 0004 ASP OD2 7.163 H A 0005 GLU OE1
C A 0004 ASP OD2 8.214 H A 0005 GLU OE2
H A 0034 ASP OD1 5.774 C A 0035 ASP OD1
H A 0034 ASP OD1 7.449 C A 0035 ASP OD2
H A 0034 ASP OD2 4.960 C A 0035 ASP OD1
H A 0034 ASP OD2 7.015 C A 0035 ASP OD2
H A 0034 ASP OD2 10.86 H A 0045 GLU OE1
C A 0035 ASP OD1 9.109 H A 0045 GLU OE1
C A 0035 ASP OD1 9.898 H A 0045 GLU OE2
C A 0035 ASP OD2 10.11 H A 0045 GLU OE1
C A 0035 ASP OD2 10.54 H A 0045 GLU OE2
HB_MM 2.00 3.20 103
C A 0002 GLN N 2.263 C A 0001 ALA O
C A 0003 HIS N 2.937 C A 0001 ALA O
C A 0003 HIS N 2.265 C A 0002 GLN O
C A 0004 ASP N 2.990 C A 0001 ALA O
C A 0004 ASP N 3.082 C A 0002 GLN O
C A 0004 ASP N 2.254 C A 0003 HIS O
H A 0005 GLU N 2.258 C A 0004 ASP O
H A 0006 ALA N 2.251 H A 0005 GLU O
H A 0007 GLN N 2.256 H A 0006 ALA O
H A 0008 GLN N 2.927 C A 0004 ASP O
H A 0008 GLN N 2.258 H A 0007 GLN O
H A 0009 ASN N 3.029 H A 0005 GLU O
H A 0009 ASN N 2.257 H A 0008 GLN O
H A 0010 ALA N 2.972 H A 0006 ALA O
H A 0010 ALA N 3.152 H A 0007 GLN O
H A 0010 ALA N 2.252 H A 0009 ASN O
H A 0011 PHE N 2.257 H A 0010 ALA O
H A 0012 TYR N 2.910 H A 0008 GLN O
H A 0012 TYR N 2.259 H A 0011 PHE O
H A 0013 GLN N 2.879 H A 0009 ASN O
H A 0013 GLN N 2.246 H A 0012 TYR O
H A 0014 VAL N 3.035 H A 0010 ALA O
H A 0014 VAL N 2.251 H A 0013 GLN O
H A 0015 LEU N 3.062 H A 0011 PHE O
H A 0015 LEU N 2.253 H A 0014 VAL O
H A 0016 ASN N 2.875 H A 0012 TYR O
H A 0016 ASN N 3.103 H A 0013 GLN O
H A 0016 ASN N 2.258 H A 0015 LEU O
C A 0017 MET N 2.958 H A 0015 LEU O
C A 0017 MET N 2.258 H A 0016 ASN O
C A 0018 PRO N 2.253 C A 0017 MET O
C A 0019 ASN N 2.251 C A 0018 PRO O
C A 0020 LEU N 2.254 C A 0019 ASN O
C A 0021 ASN N 2.259 C A 0020 LEU O
H A 0022 ALA N 2.258 C A 0021 ASN O
H A 0023 ASP N 2.254 H A 0022 ALA O
H A 0024 GLN N 2.256 H A 0023 ASP O
H A 0025 ARG N 3.093 C A 0021 ASN O
H A 0025 ARG N 2.257 H A 0024 GLN O
H A 0026 ASN N 2.906 H A 0022 ALA O
H A 0026 ASN N 2.251 H A 0025 ARG O
H A 0027 GLY N 2.892 H A 0023 ASP O
H A 0027 GLY N 3.078 H A 0024 GLN O
H A 0027 GLY N 2.251 H A 0026 ASN O
H A 0028 PHE N 2.977 H A 0024 GLN O
H A 0028 PHE N 2.259 H A 0027 GLY O
H A 0029 ILE N 2.904 H A 0025 ARG O
H A 0029 ILE N 3.157 H A 0026 ASN O
H A 0029 ILE N 2.247 H A 0028 PHE O
H A 0030 GLN N 2.918 H A 0026 ASN O
H A 0030 GLN N 2.252 H A 0029 ILE O
H A 0031 SER N 3.043 H A 0027 GLY O
H A 0031 SER N 3.145 H A 0028 PHE O
H A 0031 SER N 2.253 H A 0030 GLN O
H A 0032 LEU N 2.841 H A 0028 PHE O
H A 0032 LEU N 3.115 H A 0029 ILE O
H A 0032 LEU N 2.255 H A 0031 SER O
H A 0033 LYS N 2.933 H A 0029 ILE O
H A 0033 LYS N 3.170 H A 0030 GLN O
H A 0033 LYS N 2.257 H A 0032 LEU O
H A 0034 ASP N 2.903 H A 0030 GLN O
H A 0034 ASP N 2.257 H A 0033 LYS O
C A 0035 ASP N 2.887 H A 0031 SER O
C A 0035 ASP N 2.261 H A 0034 ASP O
H A 0036 PRO N 3.126 H A 0032 LEU O
H A 0036 PRO N 2.250 C A 0035 ASP O
H A 0037 SER N 2.248 H A 0036 PRO O
H A 0038 GLN N 2.969 C A 0035 ASP O
H A 0038 GLN N 2.259 H A 0037 SER O
H A 0039 SER N 2.249 H A 0038 GLN O
H A 0040 ALA N 2.257 H A 0039 SER O
H A 0041 ASN N 2.254 H A 0040 ALA O
H A 0042 VAL N 2.973 H A 0038 GLN O
H A 0042 VAL N 2.253 H A 0041 ASN O
H A 0043 LEU N 2.900 H A 0039 SER O
H A 0043 LEU N 2.256 H A 0042 VAL O
H A 0044 GLY N 2.945 H A 0040 ALA O
H A 0044 GLY N 3.102 H A 0041 ASN O
H A 0044 GLY N 2.254 H A 0043 LEU O
H A 0045 GLU N 2.889 H A 0041 ASN O
H A 0045 GLU N 2.254 H A 0044 GLY O
H A 0046 ALA N 2.929 H A 0042 VAL O
H A 0046 ALA N 2.254 H A 0045 GLU O
H A 0047 GLN N 2.891 H A 0043 LEU O
H A 0047 GLN N 2.256 H A 0046 ALA O
H A 0048 LYS N 2.885 H A 0044 GLY O
H A 0048 LYS N 2.253 H A 0047 GLN O
H A 0049 LEU N 2.907 H A 0045 GLU O
H A 0049 LEU N 2.254 H A 0048 LYS O
H A 0050 ASN N 2.890 H A 0046 ALA O
H A 0050 ASN N 2.250 H A 0049 LEU O
H A 0051 ASP N 2.877 H A 0047 GLN O
H A 0051 ASP N 2.255 H A 0050 ASN O
H A 0052 SER N 2.910 H A 0048 LYS O
H A 0052 SER N 2.252 H A 0051 ASP O
C A 0053 GLN N 3.119 H A 0049 LEU O
C A 0053 GLN N 3.171 H A 0050 ASN O
C A 0053 GLN N 2.256 H A 0052 SER O
C A 0054 ALA N 3.168 H A 0050 ASN O
C A 0054 ALA N 3.016 H A 0051 ASP O
C A 0054 ALA N 2.246 C A 0053 GLN O
C A 0055 PRO N 2.257 C A 0054 ALA O
C A 0056 LYS N 2.262 C A 0055 PRO O
HB_MS 2.00 3.20 17
C A 0002 GLN O 3.121 C A 0003 HIS ND1
H A 0006 ALA N 3.146 C A 0004 ASP OD2
H A 0007 GLN N 3.005 C A 0004 ASP OD2
H A 0012 TYR O 2.876 H A 0016 ASN ND2
H A 0015 LEU O 2.969 H A 0025 ARG NH1
C A 0019 ASN N 3.003 H A 0050 ASN OD1
C A 0021 ASN N 3.118 H A 0024 GLN OE1
H A 0022 ALA O 2.826 H A 0026 ASN ND2
H A 0023 ASP N 3.114 C A 0021 ASN OD1
H A 0024 GLN N 2.961 C A 0021 ASN OD1
H A 0027 GLY O 2.907 H A 0031 SER OG
H A 0036 PRO O 2.781 H A 0039 SER OG
H A 0038 GLN N 3.101 H A 0037 SER OG
H A 0049 LEU O 2.818 H A 0052 SER OG
H A 0049 LEU O 3.083 C A 0053 GLN NE2
H A 0050 ASN O 2.925 C A 0019 ASN ND2
C A 0053 GLN N 3.120 H A 0052 SER OG
HB_SS 2.00 3.20 6
H A 0007 GLN NE2 2.899 H A 0039 SER OG
H A 0009 ASN ND2 2.930 H A 0013 GLN OE1
H A 0024 GLN NE2 2.939 C A 0053 GLN OE1
C A 0035 ASP OD2 3.072 H A 0038 GLN NE2
H A 0045 GLU OE2 3.042 H A 0041 ASN ND2
C A 0053 GLN NE2 2.934 H A 0024 GLN OE1