Complet list of 1qa4 con file
Complete list of 1qa4.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 195
C A 0002 GLY CA 3.796 C A 0003 GLY CA
C A 0002 GLY C 2.427 C A 0003 GLY CA
C A 0002 GLY C 3.686 C A 0003 GLY C
C A 0003 GLY C 2.444 C A 0004 LYS CA
C A 0003 GLY C 3.688 C A 0004 LYS C
C A 0003 GLY C 3.204 C A 0004 LYS CB
C A 0003 GLY C 3.664 C A 0004 LYS CG
C A 0003 GLY CA 3.339 C A 0005 TRP CZ3
C A 0003 GLY CA 3.300 C A 0005 TRP CH2
C A 0003 GLY C 3.782 C A 0005 TRP CZ3
C A 0004 LYS C 2.445 C A 0005 TRP CA
C A 0004 LYS C 3.627 C A 0005 TRP C
C A 0004 LYS C 3.334 C A 0005 TRP CB
C A 0004 LYS C 3.235 C A 0005 TRP CG
C A 0004 LYS C 3.772 C A 0005 TRP CD1
C A 0004 LYS C 3.514 C A 0005 TRP CD2
C A 0005 TRP C 2.442 C A 0006 SER CA
C A 0005 TRP C 3.171 C A 0006 SER C
C A 0005 TRP C 3.694 C A 0006 SER CB
C A 0005 TRP CB 3.651 C A 0007 LYS CD
C A 0006 SER C 2.443 C A 0007 LYS CA
C A 0006 SER C 3.504 C A 0007 LYS C
C A 0006 SER C 3.483 C A 0007 LYS CB
C A 0007 LYS C 2.445 C A 0008 SER CA
C A 0007 LYS C 3.646 C A 0008 SER C
C A 0007 LYS C 3.295 C A 0008 SER CB
C A 0008 SER C 2.444 C A 0009 SER CA
C A 0008 SER C 3.670 C A 0009 SER C
C A 0008 SER C 3.250 C A 0009 SER CB
C A 0009 SER C 2.445 C A 0010 VAL CA
C A 0009 SER C 3.566 C A 0010 VAL C
C A 0009 SER C 3.449 C A 0010 VAL CB
C A 0010 VAL C 2.445 C A 0011 VAL CA
C A 0010 VAL C 3.496 C A 0011 VAL C
C A 0010 VAL C 3.527 C A 0011 VAL CB
C A 0010 VAL C 3.514 C A 0011 VAL CG2
C A 0011 VAL C 2.428 C A 0012 GLY CA
C A 0011 VAL C 3.687 C A 0012 GLY C
C A 0012 GLY C 2.443 C A 0013 TRP CA
C A 0012 GLY C 3.657 C A 0013 TRP C
C A 0012 GLY C 3.278 C A 0013 TRP CB
C A 0013 TRP CA 2.914 C A 0014 PRO CD
C A 0013 TRP C 2.475 C A 0014 PRO CA
C A 0013 TRP C 3.194 C A 0014 PRO C
C A 0013 TRP C 3.645 C A 0014 PRO CB
C A 0013 TRP C 3.659 C A 0014 PRO CG
C A 0013 TRP C 2.512 C A 0014 PRO CD
C A 0013 TRP CB 3.518 C A 0014 PRO CD
C A 0013 TRP CZ3 3.385 C A 0015 ALA CB
C A 0013 TRP CH2 3.721 C A 0015 ALA CB
C A 0014 PRO C 2.446 C A 0015 ALA CA
C A 0014 PRO C 3.701 C A 0015 ALA C
C A 0014 PRO C 3.160 C A 0015 ALA CB
C A 0015 ALA C 2.442 C A 0016 VAL CA
C A 0015 ALA C 3.576 C A 0016 VAL C
C A 0015 ALA C 3.444 C A 0016 VAL CB
C A 0016 VAL C 2.454 C A 0017 ARG CA
C A 0016 VAL C 3.745 C A 0017 ARG C
C A 0016 VAL C 2.979 C A 0017 ARG CB
C A 0016 VAL C 3.652 C A 0017 ARG CG
C A 0017 ARG C 2.449 C A 0018 GLU CA
C A 0017 ARG C 3.693 C A 0018 GLU C
C A 0017 ARG C 3.202 C A 0018 GLU CB
C A 0018 GLU C 2.443 C A 0019 ARG CA
C A 0018 GLU C 3.585 C A 0019 ARG C
C A 0018 GLU C 3.402 C A 0019 ARG CB
C A 0018 GLU C 3.663 C A 0019 ARG CG
C A 0019 ARG C 2.443 C A 0020 MET CA
C A 0019 ARG C 3.328 C A 0020 MET C
C A 0019 ARG C 3.623 C A 0020 MET CB
C A 0020 MET C 2.443 C A 0021 ARG CA
C A 0020 MET C 3.676 C A 0021 ARG C
C A 0020 MET C 3.234 C A 0021 ARG CB
C A 0020 MET C 3.503 C A 0021 ARG CD
C A 0021 ARG C 2.448 C A 0022 ARG CA
C A 0021 ARG C 3.674 C A 0022 ARG C
C A 0021 ARG C 3.245 C A 0022 ARG CB
C A 0021 ARG C 3.703 C A 0022 ARG CD
C A 0022 ARG C 2.452 C A 0023 ALA CA
C A 0022 ARG C 3.061 C A 0023 ALA C
C A 0022 ARG C 2.998 C A 0023 ALA CB
C A 0023 ALA C 2.445 C A 0024 GLU CA
C A 0023 ALA C 3.319 C A 0024 GLU C
C A 0023 ALA C 3.635 C A 0024 GLU CB
C A 0024 GLU CA 2.912 C A 0025 PRO CD
C A 0024 GLU C 2.474 C A 0025 PRO CA
C A 0024 GLU C 3.166 C A 0025 PRO C
C A 0024 GLU C 3.651 C A 0025 PRO CB
C A 0024 GLU C 3.654 C A 0025 PRO CG
C A 0024 GLU C 2.512 C A 0025 PRO CD
C A 0024 GLU CB 3.755 C A 0025 PRO CD
C A 0025 PRO C 2.442 C A 0026 ALA CA
C A 0025 PRO C 3.185 C A 0026 ALA C
C A 0025 PRO C 3.679 C A 0026 ALA CB
C A 0026 ALA C 2.442 C A 0027 ALA CA
C A 0026 ALA C 3.296 C A 0027 ALA C
C A 0026 ALA C 3.631 C A 0027 ALA CB
C A 0027 ALA C 2.444 C A 0028 ASP CA
C A 0027 ALA C 3.363 C A 0028 ASP C
C A 0027 ALA C 3.604 C A 0028 ASP CB
C A 0028 ASP C 2.430 C A 0029 GLY CA
C A 0028 ASP C 3.376 C A 0029 GLY C
C A 0029 GLY C 2.444 C A 0030 VAL CA
C A 0029 GLY C 3.647 C A 0030 VAL C
C A 0029 GLY C 3.334 C A 0030 VAL CB
C A 0029 GLY C 3.471 C A 0030 VAL CG1
C A 0029 GLY C 3.742 C A 0030 VAL CG2
C A 0030 VAL C 2.428 C A 0031 GLY CA
C A 0030 VAL C 3.584 C A 0031 GLY C
C A 0031 GLY C 2.444 C A 0032 ALA CA
C A 0031 GLY C 3.676 C A 0032 ALA C
C A 0031 GLY C 3.227 C A 0032 ALA CB
C A 0032 ALA C 2.444 C A 0033 ALA CA
C A 0032 ALA C 3.113 C A 0033 ALA C
C A 0032 ALA C 3.703 C A 0033 ALA CB
C A 0033 ALA C 2.447 C A 0034 SER CA
C A 0033 ALA C 3.113 C A 0034 SER C
C A 0033 ALA C 3.717 C A 0034 SER CB
C A 0034 SER C 2.445 C A 0035 ARG CA
C A 0034 SER C 3.116 C A 0035 ARG C
C A 0034 SER C 3.713 C A 0035 ARG CB
C A 0034 SER CB 3.432 H A 0037 LEU CB
C A 0035 ARG C 2.443 C A 0036 ASP CA
C A 0035 ARG C 3.012 C A 0036 ASP C
C A 0035 ARG C 3.727 C A 0036 ASP CB
C A 0036 ASP C 2.450 H A 0037 LEU CA
C A 0036 ASP C 2.941 H A 0037 LEU C
C A 0036 ASP C 3.731 H A 0037 LEU CB
C A 0036 ASP C 3.677 H A 0040 HIS CD2
C A 0036 ASP CB 3.607 H A 0040 HIS CD2
C A 0036 ASP CG 3.725 H A 0040 HIS CD2
H A 0037 LEU C 2.448 H A 0038 GLU CA
H A 0037 LEU C 3.065 H A 0038 GLU C
H A 0037 LEU C 3.724 H A 0038 GLU CB
H A 0038 GLU C 2.448 H A 0039 LYS CA
H A 0038 GLU C 3.087 H A 0039 LYS C
H A 0038 GLU C 3.719 H A 0039 LYS CB
H A 0039 LYS C 2.445 H A 0040 HIS CA
H A 0039 LYS C 3.127 H A 0040 HIS C
H A 0039 LYS C 3.711 H A 0040 HIS CB
H A 0040 HIS C 2.430 C A 0041 GLY CA
H A 0040 HIS C 3.135 C A 0041 GLY C
C A 0041 GLY C 2.444 C A 0042 ALA CA
C A 0041 GLY C 3.344 C A 0042 ALA C
C A 0041 GLY C 3.613 C A 0042 ALA CB
C A 0042 ALA C 2.444 C A 0043 ILE CA
C A 0042 ALA C 3.546 C A 0043 ILE C
C A 0042 ALA C 3.484 C A 0043 ILE CB
C A 0043 ILE C 2.448 C A 0044 THR CA
C A 0043 ILE C 3.536 C A 0044 THR C
C A 0043 ILE C 3.495 C A 0044 THR CB
C A 0043 ILE C 3.710 C A 0044 THR CG2
C A 0044 THR C 2.445 C A 0045 SER CA
C A 0044 THR C 3.422 C A 0045 SER C
C A 0044 THR C 3.563 C A 0045 SER CB
C A 0045 SER C 2.443 C A 0046 SER CA
C A 0045 SER C 3.466 C A 0046 SER C
C A 0045 SER C 3.519 C A 0046 SER CB
C A 0046 SER C 2.442 C A 0047 ASN CA
C A 0046 SER C 3.368 C A 0047 ASN C
C A 0046 SER C 3.598 C A 0047 ASN CB
C A 0047 ASN C 2.452 C A 0048 THR CA
C A 0047 ASN C 3.017 C A 0048 THR C
C A 0047 ASN C 3.072 C A 0048 THR CB
C A 0048 THR C 2.443 C A 0049 ALA CA
C A 0048 THR C 3.344 C A 0049 ALA C
C A 0048 THR C 3.605 C A 0049 ALA CB
C A 0049 ALA C 2.443 C A 0050 ALA CA
C A 0049 ALA C 3.183 C A 0050 ALA C
C A 0049 ALA C 3.682 C A 0050 ALA CB
C A 0050 ALA C 2.468 C A 0051 ASN CA
C A 0050 ALA C 2.974 C A 0051 ASN C
C A 0050 ALA C 3.173 C A 0051 ASN CB
C A 0050 ALA C 3.171 C A 0051 ASN CG
C A 0051 ASN C 2.444 C A 0052 ASN CA
C A 0051 ASN C 3.641 C A 0052 ASN C
C A 0051 ASN C 3.308 C A 0052 ASN CB
C A 0052 ASN C 2.444 C A 0053 ALA CA
C A 0052 ASN C 3.100 C A 0053 ALA C
C A 0052 ASN C 3.706 C A 0053 ALA CB
C A 0053 ALA C 2.458 C A 0054 ALA CA
C A 0053 ALA C 3.148 C A 0054 ALA C
C A 0053 ALA C 2.945 C A 0054 ALA CB
C A 0054 ALA C 2.445 C A 0055 CYS CA
C A 0054 ALA C 3.656 C A 0055 CYS C
C A 0054 ALA C 3.283 C A 0055 CYS CB
C A 0055 CYS C 2.443 C A 0056 ALA CA
C A 0055 CYS C 3.265 C A 0056 ALA C
C A 0055 CYS C 3.648 C A 0056 ALA CB
C A 0056 ALA C 2.460 C A 0057 TRP CA
C A 0056 ALA C 3.110 C A 0057 TRP C
C A 0056 ALA C 2.987 C A 0057 TRP CB
C A 0056 ALA C 3.306 C A 0057 TRP CG
C A 0056 ALA C 3.457 C A 0057 TRP CD1
C A 0056 ALA CB 3.785 C A 0057 TRP CD1
CHARGE_ATTR 2.00 12.00 43
C A 0018 GLU OE1 11.68 C A 0017 ARG NH1
C A 0018 GLU OE2 11.29 C A 0017 ARG NH1
C A 0018 GLU OE1 4.109 C A 0019 ARG NH1
C A 0018 GLU OE1 5.267 C A 0019 ARG NH2
C A 0018 GLU OE2 2.866 C A 0019 ARG NH1
C A 0018 GLU OE2 3.234 C A 0019 ARG NH2
C A 0018 GLU OE1 8.796 C A 0021 ARG NH1
C A 0018 GLU OE1 7.658 C A 0021 ARG NH2
C A 0018 GLU OE2 9.127 C A 0021 ARG NH1
C A 0018 GLU OE2 8.335 C A 0021 ARG NH2
C A 0018 GLU OE1 9.128 C A 0022 ARG NH1
C A 0018 GLU OE1 10.31 C A 0022 ARG NH2
C A 0018 GLU OE2 9.174 C A 0022 ARG NH1
C A 0018 GLU OE2 10.24 C A 0022 ARG NH2
C A 0024 GLU OE2 11.59 C A 0019 ARG NH1
C A 0024 GLU OE1 10.05 C A 0021 ARG NH1
C A 0024 GLU OE1 11.20 C A 0021 ARG NH2
C A 0024 GLU OE2 8.872 C A 0021 ARG NH1
C A 0024 GLU OE2 10.38 C A 0021 ARG NH2
C A 0024 GLU OE1 6.026 C A 0022 ARG NH1
C A 0024 GLU OE1 6.892 C A 0022 ARG NH2
C A 0024 GLU OE2 5.677 C A 0022 ARG NH1
C A 0024 GLU OE2 6.918 C A 0022 ARG NH2
C A 0036 ASP OD1 4.959 C A 0035 ARG NH1
C A 0036 ASP OD1 2.895 C A 0035 ARG NH2
C A 0036 ASP OD2 6.436 C A 0035 ARG NH1
C A 0036 ASP OD2 4.386 C A 0035 ARG NH2
C A 0036 ASP OD1 8.026 H A 0039 LYS NZ
C A 0036 ASP OD2 7.110 H A 0039 LYS NZ
C A 0036 ASP OD1 6.743 H A 0040 HIS ND1
C A 0036 ASP OD1 4.730 H A 0040 HIS NE2
C A 0036 ASP OD2 4.891 H A 0040 HIS ND1
C A 0036 ASP OD2 2.815 H A 0040 HIS NE2
H A 0038 GLU OE1 2.927 C A 0035 ARG NH1
H A 0038 GLU OE1 4.955 C A 0035 ARG NH2
H A 0038 GLU OE2 3.177 C A 0035 ARG NH1
H A 0038 GLU OE2 5.079 C A 0035 ARG NH2
H A 0038 GLU OE1 8.757 H A 0039 LYS NZ
H A 0038 GLU OE2 7.021 H A 0039 LYS NZ
H A 0038 GLU OE1 10.16 H A 0040 HIS ND1
H A 0038 GLU OE1 9.185 H A 0040 HIS NE2
H A 0038 GLU OE2 9.250 H A 0040 HIS ND1
H A 0038 GLU OE2 8.542 H A 0040 HIS NE2
CHARGE_REPU 2.00 12.00 25
C A 0004 LYS NZ 9.018 C A 0007 LYS NZ
C A 0019 ARG NH1 7.261 C A 0021 ARG NH1
C A 0019 ARG NH1 7.152 C A 0021 ARG NH2
C A 0019 ARG NH2 9.128 C A 0021 ARG NH1
C A 0019 ARG NH2 9.040 C A 0021 ARG NH2
C A 0019 ARG NH1 7.211 C A 0022 ARG NH1
C A 0019 ARG NH1 8.556 C A 0022 ARG NH2
C A 0019 ARG NH2 8.805 C A 0022 ARG NH1
C A 0019 ARG NH2 9.803 C A 0022 ARG NH2
C A 0021 ARG NH1 8.586 C A 0022 ARG NH1
C A 0021 ARG NH1 10.86 C A 0022 ARG NH2
C A 0021 ARG NH2 9.629 C A 0022 ARG NH1
C A 0021 ARG NH2 11.84 C A 0022 ARG NH2
C A 0035 ARG NH1 7.508 H A 0039 LYS NZ
C A 0035 ARG NH2 7.079 H A 0039 LYS NZ
C A 0035 ARG NH1 8.893 H A 0040 HIS ND1
C A 0035 ARG NH1 7.509 H A 0040 HIS NE2
C A 0035 ARG NH2 7.612 H A 0040 HIS ND1
C A 0035 ARG NH2 5.881 H A 0040 HIS NE2
C A 0036 ASP OD1 7.042 H A 0038 GLU OE1
C A 0036 ASP OD1 7.431 H A 0038 GLU OE2
C A 0036 ASP OD2 8.417 H A 0038 GLU OE1
C A 0036 ASP OD2 8.380 H A 0038 GLU OE2
H A 0039 LYS NZ 4.730 H A 0040 HIS ND1
H A 0039 LYS NZ 5.132 H A 0040 HIS NE2
HB_MM 2.00 3.20 63
C A 0003 GLY N 2.258 C A 0002 GLY O
C A 0004 LYS N 2.255 C A 0003 GLY O
C A 0005 TRP N 2.255 C A 0004 LYS O
C A 0006 SER N 2.255 C A 0005 TRP O
C A 0007 LYS N 3.124 C A 0005 TRP O
C A 0007 LYS N 2.255 C A 0006 SER O
C A 0008 SER N 2.257 C A 0007 LYS O
C A 0009 SER N 2.256 C A 0008 SER O
C A 0010 VAL N 2.257 C A 0009 SER O
C A 0011 VAL N 2.257 C A 0010 VAL O
C A 0012 GLY N 2.257 C A 0011 VAL O
C A 0013 TRP N 2.255 C A 0012 GLY O
C A 0014 PRO N 2.258 C A 0013 TRP O
C A 0015 ALA N 2.257 C A 0014 PRO O
C A 0016 VAL N 2.256 C A 0015 ALA O
C A 0017 ARG N 2.258 C A 0016 VAL O
C A 0018 GLU N 2.257 C A 0017 ARG O
C A 0019 ARG N 2.254 C A 0018 GLU O
C A 0020 MET N 2.254 C A 0019 ARG O
C A 0021 ARG N 2.255 C A 0020 MET O
C A 0022 ARG N 2.258 C A 0021 ARG O
C A 0023 ALA N 2.259 C A 0022 ARG O
C A 0024 GLU N 2.257 C A 0023 ALA O
C A 0025 PRO N 2.258 C A 0024 GLU O
C A 0026 ALA N 2.256 C A 0025 PRO O
C A 0027 ALA N 2.256 C A 0026 ALA O
C A 0028 ASP N 2.256 C A 0027 ALA O
C A 0029 GLY N 2.257 C A 0028 ASP O
C A 0030 VAL N 2.256 C A 0029 GLY O
C A 0031 GLY N 2.256 C A 0030 VAL O
C A 0032 ALA N 2.256 C A 0031 GLY O
C A 0033 ALA N 2.256 C A 0032 ALA O
C A 0034 SER N 2.258 C A 0033 ALA O
C A 0035 ARG N 2.721 C A 0033 ALA O
C A 0035 ARG N 2.255 C A 0034 SER O
C A 0036 ASP N 2.255 C A 0035 ARG O
H A 0037 LEU N 2.259 C A 0036 ASP O
H A 0038 GLU N 3.080 C A 0035 ARG O
H A 0038 GLU N 3.031 C A 0036 ASP O
H A 0038 GLU N 2.256 H A 0037 LEU O
H A 0039 LYS N 2.896 C A 0036 ASP O
H A 0039 LYS N 2.256 H A 0038 GLU O
H A 0040 HIS N 2.681 C A 0036 ASP O
H A 0040 HIS N 2.254 H A 0039 LYS O
C A 0041 GLY N 2.687 H A 0037 LEU O
C A 0041 GLY N 2.254 H A 0040 HIS O
C A 0042 ALA N 2.881 H A 0038 GLU O
C A 0042 ALA N 2.254 C A 0041 GLY O
C A 0043 ILE N 2.255 C A 0042 ALA O
C A 0044 THR N 2.255 C A 0043 ILE O
C A 0045 SER N 2.255 C A 0044 THR O
C A 0046 SER N 2.255 C A 0045 SER O
C A 0047 ASN N 2.255 C A 0046 SER O
C A 0048 THR N 2.259 C A 0047 ASN O
C A 0049 ALA N 2.255 C A 0048 THR O
C A 0050 ALA N 2.256 C A 0049 ALA O
C A 0051 ASN N 2.265 C A 0050 ALA O
C A 0052 ASN N 2.254 C A 0051 ASN O
C A 0053 ALA N 2.256 C A 0052 ASN O
C A 0054 ALA N 2.263 C A 0053 ALA O
C A 0055 CYS N 2.255 C A 0054 ALA O
C A 0056 ALA N 2.256 C A 0055 CYS O
C A 0057 TRP N 2.262 C A 0056 ALA O
HB_MS 2.00 3.20 8
C A 0016 VAL O 2.669 C A 0017 ARG NH1
C A 0019 ARG N 3.163 C A 0018 GLU OE2
C A 0020 MET N 3.170 C A 0018 GLU OE1
C A 0023 ALA N 3.080 C A 0024 GLU OE1
C A 0029 GLY N 2.983 C A 0028 ASP OD1
H A 0039 LYS N 2.947 H A 0038 GLU OE2
C A 0050 ALA O 2.834 C A 0051 ASN ND2
C A 0052 ASN N 2.818 C A 0051 ASN OD1
HB_SS 2.00 3.20 1
C A 0044 THR OG1 2.695 C A 0047 ASN OD1
AROMATIC 0.00 8.00 2
C A 0035 ARG 6.440 H A 0040 HIS
C A 0004 LYS 6.932 C A 0005 TRP