Complet list of 1ry3 con file
Complete list of 1ry3.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 246
C A -001 GLY CA 3.796 C A 0001 VAL CA
C A -001 GLY C 2.433 C A 0001 VAL CA
C A -001 GLY C 3.447 C A 0001 VAL C
C A -001 GLY C 3.547 C A 0001 VAL CB
C A -001 GLY C 3.728 C A 0001 VAL CG1
C A -002 GLY CA 3.783 C A -001 GLY CA
C A -002 GLY C 2.416 C A -001 GLY CA
C A -002 GLY C 3.705 C A -001 GLY C
C A -003 HIS CA 3.793 C A -002 GLY CA
C A -003 HIS C 2.417 C A -002 GLY CA
C A -003 HIS C 3.476 C A -002 GLY C
C A -004 LEU CA 3.785 C A -003 HIS CA
C A -004 LEU C 2.431 C A -003 HIS CA
C A -004 LEU C 3.011 C A -003 HIS C
C A -004 LEU C 3.709 C A -003 HIS CB
H A -005 GLN CA 3.800 C A -004 LEU CA
H A -005 GLN C 2.430 C A -004 LEU CA
H A -005 GLN C 3.238 C A -004 LEU C
H A -005 GLN C 3.646 C A -004 LEU CB
C A -006 LYS C 2.431 H A -005 GLN CA
C A -006 LYS C 3.226 H A -005 GLN C
C A -006 LYS C 3.648 H A -005 GLN CB
C A -006 LYS C 3.723 H A -005 GLN CD
C A -006 LYS CB 3.758 H A -005 GLN CD
C A -007 MET CA 3.503 C A -004 LEU CB
C A -007 MET C 3.588 C A -004 LEU CB
C A -007 MET C 2.438 C A -006 LYS CA
C A -007 MET C 2.956 C A -006 LYS C
C A -007 MET C 3.719 C A -006 LYS CB
C A -008 GLU CA 3.792 C A -007 MET CA
C A -008 GLU C 2.434 C A -007 MET CA
C A -008 GLU C 2.935 C A -007 MET C
C A -008 GLU C 3.711 C A -007 MET CB
C A -009 LYS C 3.732 C A -006 LYS CB
C A -009 LYS C 2.435 C A -008 GLU CA
C A -009 LYS C 2.988 C A -008 GLU C
C A -009 LYS C 3.717 C A -008 GLU CB
C A -010 VAL CA 3.772 C A -007 MET CG
C A -010 VAL C 3.684 C A -007 MET CG
C A -010 VAL C 2.433 C A -009 LYS CA
C A -010 VAL C 2.995 C A -009 LYS C
C A -010 VAL C 3.713 C A -009 LYS CB
C A -011 ASN CA 3.791 C A -010 VAL CA
C A -011 ASN C 2.429 C A -010 VAL CA
C A -011 ASN C 3.102 C A -010 VAL C
C A -011 ASN C 3.718 C A -010 VAL CB
C A -012 LEU C 2.434 C A -011 ASN CA
C A -012 LEU C 3.043 C A -011 ASN C
C A -012 LEU C 3.716 C A -011 ASN CB
C A -013 GLU CA 3.789 C A -012 LEU CA
C A -013 GLU C 2.430 C A -012 LEU CA
C A -013 GLU C 3.120 C A -012 LEU C
C A -013 GLU C 3.693 C A -012 LEU CB
C A -014 LYS CA 3.791 C A -013 GLU CA
C A -014 LYS C 2.431 C A -013 GLU CA
C A -014 LYS C 3.121 C A -013 GLU C
C A -014 LYS C 3.692 C A -013 GLU CB
C A -015 VAL CA 3.789 C A -014 LYS CA
C A -015 VAL C 2.424 C A -014 LYS CA
C A -015 VAL C 3.151 C A -014 LYS C
C A -015 VAL C 3.673 C A -014 LYS CB
H A -016 SER CB 3.646 C A -013 GLU CB
H A -016 SER C 2.429 C A -015 VAL CA
H A -016 SER C 3.289 C A -015 VAL C
H A -016 SER C 3.646 C A -015 VAL CB
C A -017 ASN C 2.434 H A -016 SER CA
C A -017 ASN C 3.240 H A -016 SER C
C A -017 ASN C 3.655 H A -016 SER CB
C A -018 MET C 2.433 C A -017 ASN CA
C A -018 MET C 3.243 C A -017 ASN C
C A -018 MET C 3.653 C A -017 ASN CB
C A 0001 VAL C 2.434 C A 0002 ASN CA
C A 0001 VAL C 3.614 C A 0002 ASN C
C A 0001 VAL C 3.315 C A 0002 ASN CB
C A 0002 ASN C 2.435 C A 0003 TYR CA
C A 0002 ASN C 3.024 C A 0003 TYR C
C A 0002 ASN C 2.984 C A 0003 TYR CB
C A 0003 TYR CA 3.792 C A 0004 GLY CA
C A 0003 TYR C 2.418 C A 0004 GLY CA
C A 0003 TYR C 3.274 C A 0004 GLY C
C A 0004 GLY CA 3.797 C A 0005 ASN CA
C A 0004 GLY C 2.434 C A 0005 ASN CA
C A 0004 GLY C 3.280 C A 0005 ASN C
C A 0004 GLY C 3.637 C A 0005 ASN CB
C A 0005 ASN CA 3.795 C A 0006 GLY CA
C A 0005 ASN C 2.417 C A 0006 GLY CA
C A 0005 ASN C 3.303 C A 0006 GLY C
C A 0006 GLY CA 3.798 C A 0007 VAL CA
C A 0006 GLY C 2.434 C A 0007 VAL CA
C A 0006 GLY C 3.204 C A 0007 VAL C
C A 0006 GLY C 3.697 C A 0007 VAL CB
C A 0007 VAL C 2.434 C A 0008 SER CA
C A 0007 VAL C 3.584 C A 0008 SER C
C A 0007 VAL C 3.370 C A 0008 SER CB
C A 0008 SER C 2.437 C A 0009 CYS CA
C A 0008 SER C 3.160 C A 0009 CYS C
C A 0008 SER C 3.702 C A 0009 CYS CB
C A 0008 SER C 3.539 C A 0014 CYS CB
C A 0009 CYS C 2.435 C A 0010 SER CA
C A 0009 CYS C 3.694 C A 0010 SER C
C A 0009 CYS C 3.138 C A 0010 SER CB
C A 0009 CYS CA 3.408 C A 0014 CYS CB
C A 0009 CYS CB 3.574 C A 0014 CYS CB
C A 0010 SER C 2.442 C A 0011 LYS CA
C A 0010 SER C 3.086 C A 0011 LYS C
C A 0010 SER C 2.959 C A 0011 LYS CB
C A 0011 LYS C 2.426 C A 0012 THR CA
C A 0011 LYS C 3.655 C A 0012 THR C
C A 0011 LYS C 3.181 C A 0012 THR CB
C A 0012 THR C 2.434 C A 0013 LYS CA
C A 0012 THR C 2.945 C A 0013 LYS C
C A 0012 THR C 3.714 C A 0013 LYS CB
C A 0013 LYS C 2.435 C A 0014 CYS CA
C A 0013 LYS C 3.373 C A 0014 CYS C
C A 0013 LYS C 3.590 C A 0014 CYS CB
C A 0014 CYS C 2.434 C A 0015 SER CA
C A 0014 CYS C 3.569 C A 0015 SER C
C A 0014 CYS C 3.386 C A 0015 SER CB
C A 0015 SER C 2.433 C A 0016 VAL CA
C A 0015 SER C 3.493 C A 0016 VAL C
C A 0015 SER C 3.503 C A 0016 VAL CB
C A 0015 SER C 3.488 C A 0016 VAL CG2
C A 0016 VAL C 2.435 C A 0017 ASN CA
C A 0016 VAL C 3.392 C A 0017 ASN C
C A 0016 VAL C 3.564 C A 0017 ASN CB
C A 0017 ASN C 2.436 C A 0018 TRP CA
C A 0017 ASN C 3.172 C A 0018 TRP C
C A 0017 ASN C 3.688 C A 0018 TRP CB
C A 0017 ASN CG 3.623 H A 0020 GLN CB
C A 0018 TRP C 2.418 H A 0019 GLY CA
C A 0018 TRP C 3.437 H A 0019 GLY C
C A 0018 TRP C 3.538 H A 0022 PHE CB
C A 0018 TRP C 3.637 H A 0022 PHE CD1
C A 0018 TRP CD2 3.387 H A 0022 PHE CE1
C A 0018 TRP CE2 3.570 H A 0022 PHE CE1
C A 0018 TRP CE3 3.386 H A 0022 PHE CE1
C A 0018 TRP CZ2 3.769 H A 0022 PHE CE1
C A 0018 TRP CZ3 3.560 H A 0022 PHE CE1
C A 0018 TRP CZ3 3.692 H A 0022 PHE CZ
C A 0018 TRP CH2 3.747 H A 0022 PHE CE1
H A 0019 GLY CA 3.793 H A 0020 GLN CA
H A 0019 GLY C 2.430 H A 0020 GLN CA
H A 0019 GLY C 2.942 H A 0020 GLN C
H A 0019 GLY C 3.715 H A 0020 GLN CB
H A 0019 GLY CA 3.569 H A 0022 PHE CB
H A 0019 GLY C 3.384 H A 0022 PHE CB
H A 0020 GLN C 2.422 H A 0021 ALA CA
H A 0020 GLN C 3.039 H A 0021 ALA C
H A 0020 GLN C 3.709 H A 0021 ALA CB
H A 0021 ALA CA 3.763 H A 0022 PHE CA
H A 0021 ALA C 2.410 H A 0022 PHE CA
H A 0021 ALA C 3.002 H A 0022 PHE C
H A 0021 ALA C 3.688 H A 0022 PHE CB
H A 0021 ALA CA 3.483 H A 0024 GLU CB
H A 0021 ALA CA 3.643 H A 0024 GLU CG
H A 0021 ALA C 3.573 H A 0024 GLU CB
H A 0022 PHE CA 3.769 H A 0023 GLN CA
H A 0022 PHE C 2.432 H A 0023 GLN CA
H A 0022 PHE C 3.100 H A 0023 GLN C
H A 0022 PHE C 3.692 H A 0023 GLN CB
H A 0023 GLN C 2.446 H A 0024 GLU CA
H A 0023 GLN C 3.053 H A 0024 GLU C
H A 0023 GLN C 3.723 H A 0024 GLU CB
H A 0024 GLU C 2.437 H A 0025 ARG CA
H A 0024 GLU C 3.018 H A 0025 ARG C
H A 0024 GLU C 3.715 H A 0025 ARG CB
H A 0025 ARG CA 3.795 H A 0026 TYR CA
H A 0025 ARG C 2.429 H A 0026 TYR CA
H A 0025 ARG C 3.049 H A 0026 TYR C
H A 0025 ARG C 3.705 H A 0026 TYR CB
H A 0026 TYR C 2.434 H A 0027 THR CA
H A 0026 TYR C 3.152 H A 0027 THR C
H A 0026 TYR C 3.687 H A 0027 THR CB
H A 0027 THR C 2.433 H A 0028 ALA CA
H A 0027 THR C 3.035 H A 0028 ALA C
H A 0027 THR C 3.703 H A 0028 ALA CB
H A 0028 ALA CA 3.791 H A 0029 GLY CA
H A 0028 ALA C 2.418 H A 0029 GLY CA
H A 0028 ALA C 3.078 H A 0029 GLY C
H A 0029 GLY CA 3.797 H A 0030 ILE CA
H A 0029 GLY C 2.434 H A 0030 ILE CA
H A 0029 GLY C 2.994 H A 0030 ILE C
H A 0029 GLY C 3.738 H A 0030 ILE CB
H A 0030 ILE C 2.435 H A 0031 ASN CA
H A 0030 ILE C 2.957 H A 0031 ASN C
H A 0030 ILE C 3.716 H A 0031 ASN CB
H A 0031 ASN C 2.431 H A 0032 SER CA
H A 0031 ASN C 3.003 H A 0032 SER C
H A 0031 ASN C 3.712 H A 0032 SER CB
H A 0032 SER C 2.434 H A 0033 PHE CA
H A 0032 SER C 3.035 H A 0033 PHE C
H A 0032 SER C 3.711 H A 0033 PHE CB
H A 0033 PHE C 2.435 H A 0034 VAL CA
H A 0033 PHE C 2.956 H A 0034 VAL C
H A 0033 PHE C 3.740 H A 0034 VAL CB
H A 0034 VAL C 2.426 H A 0035 SER CA
H A 0034 VAL C 2.918 H A 0035 SER C
H A 0034 VAL C 3.709 H A 0035 SER CB
H A 0035 SER CA 3.768 H A 0036 GLY CA
H A 0035 SER C 2.392 H A 0036 GLY CA
H A 0035 SER C 2.726 H A 0036 GLY C
H A 0035 SER CA 3.157 C A 0039 SER CA
H A 0035 SER CA 2.987 C A 0039 SER C
H A 0035 SER CA 3.125 C A 0039 SER CB
H A 0035 SER C 3.624 C A 0039 SER C
H A 0035 SER CB 3.611 C A 0039 SER CA
H A 0035 SER CB 3.055 C A 0039 SER C
H A 0035 SER CB 3.300 C A 0039 SER CB
H A 0035 SER CA 3.641 C A 0040 GLY CA
H A 0035 SER C 3.289 C A 0040 GLY CA
H A 0035 SER CB 3.624 C A 0040 GLY CA
H A 0036 GLY CA 3.769 H A 0037 VAL CA
H A 0036 GLY C 2.435 H A 0037 VAL CA
H A 0036 GLY C 3.290 H A 0037 VAL C
H A 0036 GLY C 3.660 H A 0037 VAL CB
H A 0037 VAL C 2.457 H A 0038 ALA CA
H A 0037 VAL C 3.280 H A 0038 ALA C
H A 0037 VAL C 3.671 H A 0038 ALA CB
H A 0038 ALA CA 3.786 C A 0039 SER CA
H A 0038 ALA C 2.451 C A 0039 SER CA
H A 0038 ALA C 3.113 C A 0039 SER C
H A 0038 ALA C 3.684 C A 0039 SER CB
C A 0039 SER C 2.417 C A 0040 GLY CA
C A 0039 SER C 3.497 C A 0040 GLY C
C A 0040 GLY CA 3.799 C A 0041 ALA CA
C A 0040 GLY C 2.436 C A 0041 ALA CA
C A 0040 GLY C 2.956 C A 0041 ALA C
C A 0040 GLY C 3.062 C A 0041 ALA CB
C A 0041 ALA CA 3.792 C A 0042 GLY CA
C A 0041 ALA C 2.417 C A 0042 GLY CA
C A 0041 ALA C 3.632 C A 0042 GLY C
C A 0042 GLY CA 3.798 C A 0043 SER CA
C A 0042 GLY C 2.433 C A 0043 SER CA
C A 0042 GLY C 3.357 C A 0043 SER C
C A 0042 GLY C 3.590 C A 0043 SER CB
C A 0043 SER C 2.447 C A 0044 ILE CA
C A 0043 SER C 2.906 C A 0044 ILE C
C A 0043 SER C 3.199 C A 0044 ILE CB
C A 0043 SER C 3.062 C A 0044 ILE CG2
C A 0044 ILE CA 3.794 C A 0045 GLY CA
C A 0044 ILE C 2.417 C A 0045 GLY CA
C A 0044 ILE C 3.446 C A 0045 GLY C
C A 0045 GLY C 2.448 C A 0046 ARG CA
C A 0045 GLY C 2.900 C A 0046 ARG C
C A 0045 GLY C 3.180 C A 0046 ARG CB
C A 0045 GLY C 2.965 C A 0046 ARG CG
CHARGE_ATTR 2.00 12.00 11
C A -008 GLU OE2 11.86 C A -003 HIS ND1
C A -013 GLU OE1 7.915 C A -006 LYS NZ
C A -013 GLU OE2 9.075 C A -006 LYS NZ
C A -013 GLU OE1 5.763 C A -009 LYS NZ
C A -013 GLU OE2 5.031 C A -009 LYS NZ
C A -013 GLU OE1 9.943 C A -014 LYS NZ
C A -013 GLU OE2 11.73 C A -014 LYS NZ
H A 0024 GLU OE1 7.072 H A 0025 ARG NH1
H A 0024 GLU OE1 8.888 H A 0025 ARG NH2
H A 0024 GLU OE2 9.157 H A 0025 ARG NH1
H A 0024 GLU OE2 10.84 H A 0025 ARG NH2
CHARGE_REPU 2.00 12.00 3
C A -006 LYS NZ 11.40 H A 0025 ARG NH2
C A -009 LYS NZ 7.372 C A -006 LYS NZ
C A 0011 LYS NZ 11.36 C A 0013 LYS NZ
HB_MM 2.00 3.20 98
C A -001 GLY N 2.250 C A -002 GLY O
C A -002 GLY N 2.249 C A -003 HIS O
C A -002 GLY N 3.037 C A -004 LEU O
C A -003 HIS N 2.248 C A -004 LEU O
C A -004 LEU N 2.244 H A -005 GLN O
C A -004 LEU N 3.188 C A -006 LYS O
C A -004 LEU N 3.125 C A -007 MET O
C A -004 LEU N 3.001 C A -008 GLU O
H A -005 GLN N 2.251 C A -006 LYS O
H A -005 GLN N 3.171 C A -008 GLU O
C A -006 LYS N 2.254 C A -007 MET O
C A -006 LYS N 2.932 C A -008 GLU O
C A -006 LYS N 3.000 C A -010 VAL O
C A -007 MET N 2.248 C A -008 GLU O
C A -008 GLU N 2.251 C A -009 LYS O
C A -008 GLU N 2.918 C A -012 LEU O
C A -009 LYS N 2.251 C A -010 VAL O
C A -010 VAL N 2.247 C A -011 ASN O
C A -011 ASN N 2.250 C A -012 LEU O
C A -011 ASN N 3.038 C A -015 VAL O
C A -012 LEU N 2.250 C A -013 GLU O
C A -013 GLU N 2.255 C A -014 LYS O
C A -014 LYS N 2.246 C A -015 VAL O
C A -015 VAL N 2.249 H A -016 SER O
H A -016 SER N 2.249 C A -017 ASN O
H A -016 SER N 3.052 C A -018 MET O
C A -017 ASN N 2.250 C A -018 MET O
C A 0001 VAL N 2.250 C A -001 GLY O
C A 0002 ASN N 2.250 C A 0001 VAL O
C A 0003 TYR N 2.250 C A 0002 ASN O
C A 0004 GLY N 2.250 C A 0003 TYR O
C A 0005 ASN N 3.147 C A 0003 TYR O
C A 0005 ASN N 2.250 C A 0004 GLY O
C A 0006 GLY N 2.250 C A 0005 ASN O
C A 0007 VAL N 2.251 C A 0006 GLY O
C A 0008 SER N 2.250 C A 0007 VAL O
C A 0009 CYS N 2.251 C A 0008 SER O
C A 0010 SER N 2.249 C A 0009 CYS O
C A 0011 LYS N 2.252 C A 0010 SER O
C A 0012 THR N 2.683 C A 0010 SER O
C A 0012 THR N 2.245 C A 0011 LYS O
C A 0013 LYS N 2.249 C A 0012 THR O
C A 0014 CYS N 2.250 C A 0013 LYS O
C A 0015 SER N 2.251 C A 0014 CYS O
C A 0016 VAL N 2.250 C A 0015 SER O
C A 0017 ASN N 2.250 C A 0016 VAL O
C A 0018 TRP N 2.252 C A 0017 ASN O
H A 0019 GLY N 3.080 C A 0017 ASN O
H A 0019 GLY N 2.248 C A 0018 TRP O
H A 0020 GLN N 2.253 H A 0019 GLY O
H A 0021 ALA N 2.250 H A 0020 GLN O
H A 0022 PHE N 2.926 H A 0019 GLY O
H A 0022 PHE N 2.832 H A 0020 GLN O
H A 0022 PHE N 2.237 H A 0021 ALA O
H A 0023 GLN N 2.879 H A 0020 GLN O
H A 0023 GLN N 2.259 H A 0022 PHE O
H A 0024 GLU N 3.172 H A 0021 ALA O
H A 0024 GLU N 2.260 H A 0023 GLN O
H A 0025 ARG N 3.124 H A 0021 ALA O
H A 0025 ARG N 2.252 H A 0024 GLU O
H A 0026 TYR N 3.189 H A 0024 GLU O
H A 0026 TYR N 2.248 H A 0025 ARG O
H A 0027 THR N 3.046 H A 0024 GLU O
H A 0027 THR N 2.249 H A 0026 TYR O
H A 0028 ALA N 3.028 H A 0024 GLU O
H A 0028 ALA N 2.250 H A 0027 THR O
H A 0029 GLY N 2.824 H A 0025 ARG O
H A 0029 GLY N 2.251 H A 0028 ALA O
H A 0030 ILE N 2.250 H A 0029 GLY O
H A 0031 ASN N 3.078 H A 0027 THR O
H A 0031 ASN N 2.251 H A 0030 ILE O
H A 0032 SER N 2.250 H A 0031 ASN O
H A 0033 PHE N 3.108 H A 0029 GLY O
H A 0033 PHE N 3.059 H A 0030 ILE O
H A 0033 PHE N 2.251 H A 0032 SER O
H A 0034 VAL N 2.796 H A 0030 ILE O
H A 0034 VAL N 3.137 H A 0031 ASN O
H A 0034 VAL N 2.252 H A 0033 PHE O
H A 0035 SER N 2.244 H A 0034 VAL O
H A 0036 GLY N 3.145 H A 0032 SER O
H A 0036 GLY N 2.240 H A 0035 SER O
H A 0037 VAL N 2.758 H A 0034 VAL O
H A 0037 VAL N 2.549 H A 0035 SER O
H A 0037 VAL N 2.262 H A 0036 GLY O
H A 0038 ALA N 2.422 H A 0034 VAL O
H A 0038 ALA N 2.263 H A 0037 VAL O
C A 0039 SER N 2.257 H A 0038 ALA O
C A 0040 GLY N 2.397 H A 0035 SER O
C A 0040 GLY N 2.808 H A 0038 ALA O
C A 0040 GLY N 2.245 C A 0039 SER O
C A 0041 ALA N 2.250 C A 0040 GLY O
C A 0042 GLY N 3.135 C A 0040 GLY O
C A 0042 GLY N 2.250 C A 0041 ALA O
C A 0043 SER N 2.250 C A 0042 GLY O
C A 0044 ILE N 2.255 C A 0043 SER O
C A 0045 GLY N 2.983 C A 0043 SER O
C A 0045 GLY N 2.248 C A 0044 ILE O
C A 0046 ARG N 2.254 C A 0045 GLY O
HB_MS 2.00 3.20 6
C A -009 LYS O 2.964 H A -005 GLN NE2
C A -015 VAL O 2.590 C A -011 ASN ND2
C A 0011 LYS O 3.113 C A 0012 THR OG1
H A 0023 GLN O 3.090 H A 0027 THR OG1
H A 0036 GLY N 2.631 H A 0035 SER OG
H A 0036 GLY O 3.113 C A 0043 SER OG
SS_BOND 1.50 2.80 1
C A 0009 CYS SG 2.030 C A 0014 CYS SG