Complet list of 1ctd con file
Complete list of 1ctd.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 124
H A 0001 LYS C 2.515 H A 0002 SER CA
H A 0001 LYS C 3.096 H A 0002 SER C
H A 0001 LYS C 3.738 H A 0002 SER CB
H A 0002 SER C 2.492 H A 0003 GLU CA
H A 0002 SER C 3.110 H A 0003 GLU C
H A 0002 SER C 3.767 H A 0003 GLU CB
H A 0003 GLU C 2.491 H A 0004 GLU CA
H A 0003 GLU C 3.080 H A 0004 GLU C
H A 0003 GLU C 3.757 H A 0004 GLU CB
H A 0004 GLU C 2.491 H A 0005 GLU CA
H A 0004 GLU C 3.032 H A 0005 GLU C
H A 0004 GLU C 3.726 H A 0005 GLU CB
H A 0005 GLU C 2.472 H A 0006 LEU CA
H A 0005 GLU C 3.078 H A 0006 LEU C
H A 0005 GLU C 3.685 H A 0006 LEU CB
H A 0006 LEU C 2.480 H A 0007 ALA CA
H A 0006 LEU C 3.058 H A 0007 ALA C
H A 0006 LEU C 3.746 H A 0007 ALA CB
H A 0007 ALA C 2.472 H A 0008 ASN CA
H A 0007 ALA C 3.178 H A 0008 ASN C
H A 0007 ALA C 3.707 H A 0008 ASN CB
H A 0008 ASN C 2.462 H A 0009 ALA CA
H A 0008 ASN C 3.197 H A 0009 ALA C
H A 0008 ASN C 3.711 H A 0009 ALA CB
H A 0008 ASN C 3.728 H A 0012 ILE CD1
H A 0009 ALA CA 3.782 H A 0010 PHE CA
H A 0009 ALA C 2.443 H A 0010 PHE CA
H A 0009 ALA C 3.098 H A 0010 PHE C
H A 0009 ALA C 3.717 H A 0010 PHE CB
H A 0010 PHE CA 3.786 H A 0011 ARG CA
H A 0010 PHE C 2.485 H A 0011 ARG CA
H A 0010 PHE C 3.261 H A 0011 ARG C
H A 0010 PHE C 3.726 H A 0011 ARG CB
H A 0010 PHE C 3.445 C A 0014 ASP CB
H A 0010 PHE CE2 3.635 C A 0018 ASP C
H A 0010 PHE CZ 3.254 C A 0019 GLY C
H A 0011 ARG C 2.457 H A 0012 ILE CA
H A 0011 ARG C 3.125 H A 0012 ILE C
H A 0011 ARG C 3.749 H A 0012 ILE CB
H A 0012 ILE C 2.499 C A 0013 PHE CA
H A 0012 ILE C 3.311 C A 0013 PHE C
H A 0012 ILE C 3.636 C A 0013 PHE CB
C A 0013 PHE CA 3.799 C A 0014 ASP CA
C A 0013 PHE C 2.498 C A 0014 ASP CA
C A 0013 PHE C 3.307 C A 0014 ASP C
C A 0013 PHE C 3.611 C A 0014 ASP CB
C A 0013 PHE CD1 3.618 H A 0028 GLU CB
C A 0013 PHE CD2 3.683 H A 0029 ILE CG1
C A 0013 PHE CZ 3.795 H A 0032 ALA CB
C A 0014 ASP CA 3.759 C A 0015 LYS CA
C A 0014 ASP C 2.515 C A 0015 LYS CA
C A 0014 ASP C 3.211 C A 0015 LYS C
C A 0014 ASP C 3.739 C A 0015 LYS CB
C A 0014 ASP C 3.284 C A 0018 ASP CG
C A 0014 ASP CB 3.662 C A 0018 ASP CB
C A 0014 ASP CB 3.517 C A 0018 ASP CG
C A 0014 ASP CG 3.191 C A 0018 ASP CB
C A 0014 ASP CG 3.620 C A 0018 ASP CG
C A 0014 ASP CG 3.531 C A 0020 TYR C
C A 0014 ASP CG 3.390 C A 0021 ILE CG1
C A 0014 ASP CG 3.329 C A 0021 ILE CD1
C A 0015 LYS C 2.528 C A 0016 ASN CA
C A 0015 LYS C 3.449 C A 0016 ASN C
C A 0015 LYS C 3.658 C A 0016 ASN CB
C A 0016 ASN C 2.520 C A 0017 ALA CA
C A 0016 ASN C 3.084 C A 0017 ALA C
C A 0016 ASN C 3.251 C A 0017 ALA CB
C A 0017 ALA CA 3.739 C A 0018 ASP CA
C A 0017 ALA C 2.471 C A 0018 ASP CA
C A 0017 ALA C 3.453 C A 0018 ASP C
C A 0017 ALA C 3.506 C A 0018 ASP CB
C A 0018 ASP CA 3.187 C A 0019 GLY CA
C A 0018 ASP CA 3.492 C A 0019 GLY C
C A 0018 ASP C 2.427 C A 0019 GLY CA
C A 0018 ASP C 3.306 C A 0019 GLY C
C A 0019 GLY C 2.488 C A 0020 TYR CA
C A 0019 GLY C 3.740 C A 0020 TYR C
C A 0019 GLY C 3.397 C A 0020 TYR CB
C A 0019 GLY C 3.292 C A 0020 TYR CG
C A 0019 GLY C 3.503 C A 0020 TYR CD1
C A 0020 TYR C 2.543 C A 0021 ILE CA
C A 0020 TYR C 3.555 C A 0021 ILE C
C A 0020 TYR C 3.548 C A 0021 ILE CB
C A 0021 ILE C 2.501 H A 0022 ASP CA
C A 0021 ILE C 3.540 H A 0022 ASP C
C A 0021 ILE C 3.582 H A 0022 ASP CB
C A 0021 ILE CG1 3.543 H A 0025 GLU CB
C A 0021 ILE CD1 3.744 H A 0029 ILE CD1
H A 0022 ASP C 2.482 H A 0023 ILE CA
H A 0022 ASP C 3.152 H A 0023 ILE C
H A 0022 ASP C 3.750 H A 0023 ILE CB
H A 0022 ASP CG 3.715 H A 0025 GLU CD
H A 0023 ILE C 2.468 H A 0024 GLU CA
H A 0023 ILE C 3.175 H A 0024 GLU C
H A 0023 ILE C 3.761 H A 0024 GLU CB
H A 0024 GLU C 2.498 H A 0025 GLU CA
H A 0024 GLU C 3.145 H A 0025 GLU C
H A 0024 GLU C 3.669 H A 0025 GLU CB
H A 0025 GLU C 2.493 H A 0026 LEU CA
H A 0025 GLU C 3.082 H A 0026 LEU C
H A 0025 GLU C 3.748 H A 0026 LEU CB
H A 0026 LEU C 2.489 H A 0027 GLY CA
H A 0026 LEU C 3.006 H A 0027 GLY C
H A 0026 LEU CA 3.701 H A 0029 ILE CD1
H A 0027 GLY C 2.487 H A 0028 GLU CA
H A 0027 GLY C 3.109 H A 0028 GLU C
H A 0027 GLY C 3.753 H A 0028 GLU CB
H A 0028 GLU C 2.486 H A 0029 ILE CA
H A 0028 GLU C 3.061 H A 0029 ILE C
H A 0028 GLU C 3.770 H A 0029 ILE CB
H A 0029 ILE C 2.466 H A 0030 LEU CA
H A 0029 ILE C 3.075 H A 0030 LEU C
H A 0029 ILE C 3.765 H A 0030 LEU CB
H A 0030 LEU C 2.491 H A 0031 ARG CA
H A 0030 LEU C 3.111 H A 0031 ARG C
H A 0030 LEU C 3.772 H A 0031 ARG CB
H A 0031 ARG C 2.486 H A 0032 ALA CA
H A 0031 ARG C 3.206 H A 0032 ALA C
H A 0031 ARG C 3.732 H A 0032 ALA CB
H A 0032 ALA C 2.464 H A 0033 THR CA
H A 0032 ALA C 3.473 H A 0033 THR C
H A 0032 ALA C 3.622 H A 0033 THR CB
H A 0033 THR C 2.496 H A 0034 GLY CA
H A 0033 THR C 3.169 H A 0034 GLY C
CHARGE_ATTR 2.00 12.00 41
H A 0003 GLU OE1 10.26 H A 0001 LYS NZ
H A 0003 GLU OE2 11.76 H A 0001 LYS NZ
H A 0004 GLU OE1 7.482 H A 0001 LYS NZ
H A 0004 GLU OE2 9.382 H A 0001 LYS NZ
H A 0005 GLU OE1 8.525 H A 0001 LYS NZ
H A 0005 GLU OE2 8.973 H A 0001 LYS NZ
C A 0014 ASP OD1 10.05 H A 0011 ARG NH1
C A 0014 ASP OD1 9.419 H A 0011 ARG NH2
C A 0014 ASP OD2 8.779 H A 0011 ARG NH1
C A 0014 ASP OD2 7.998 H A 0011 ARG NH2
C A 0014 ASP OD1 9.602 C A 0015 LYS NZ
C A 0014 ASP OD2 11.21 C A 0015 LYS NZ
C A 0018 ASP OD1 5.456 H A 0011 ARG NH1
C A 0018 ASP OD1 4.807 H A 0011 ARG NH2
C A 0018 ASP OD2 7.665 H A 0011 ARG NH1
C A 0018 ASP OD2 6.980 H A 0011 ARG NH2
C A 0018 ASP OD1 10.14 C A 0015 LYS NZ
C A 0018 ASP OD2 8.985 C A 0015 LYS NZ
H A 0022 ASP OD1 9.444 C A 0015 LYS NZ
H A 0022 ASP OD2 10.40 C A 0015 LYS NZ
H A 0022 ASP OD1 11.80 H A 0031 ARG NH1
H A 0022 ASP OD1 10.32 H A 0031 ARG NH2
H A 0024 GLU OE1 10.57 C A 0015 LYS NZ
H A 0024 GLU OE2 9.696 C A 0015 LYS NZ
H A 0024 GLU OE1 10.74 H A 0031 ARG NH1
H A 0024 GLU OE1 9.005 H A 0031 ARG NH2
H A 0024 GLU OE2 10.63 H A 0031 ARG NH1
H A 0024 GLU OE2 9.123 H A 0031 ARG NH2
H A 0025 GLU OE1 11.98 H A 0011 ARG NH2
H A 0025 GLU OE2 11.73 H A 0011 ARG NH1
H A 0025 GLU OE2 11.44 H A 0011 ARG NH2
H A 0025 GLU OE1 8.929 C A 0015 LYS NZ
H A 0025 GLU OE2 6.784 C A 0015 LYS NZ
H A 0025 GLU OE1 11.46 H A 0031 ARG NH2
H A 0025 GLU OE2 11.43 H A 0031 ARG NH2
H A 0028 GLU OE1 6.456 C A 0015 LYS NZ
H A 0028 GLU OE2 6.786 C A 0015 LYS NZ
H A 0028 GLU OE1 6.745 H A 0031 ARG NH1
H A 0028 GLU OE1 7.026 H A 0031 ARG NH2
H A 0028 GLU OE2 7.079 H A 0031 ARG NH1
H A 0028 GLU OE2 6.636 H A 0031 ARG NH2
CHARGE_REPU 2.00 12.00 71
H A 0003 GLU OE1 6.198 H A 0004 GLU OE1
H A 0003 GLU OE1 7.524 H A 0004 GLU OE2
H A 0003 GLU OE2 8.334 H A 0004 GLU OE1
H A 0003 GLU OE2 9.623 H A 0004 GLU OE2
H A 0003 GLU OE1 9.156 H A 0005 GLU OE1
H A 0003 GLU OE1 10.75 H A 0005 GLU OE2
H A 0003 GLU OE2 9.388 H A 0005 GLU OE1
H A 0003 GLU OE2 11.20 H A 0005 GLU OE2
H A 0004 GLU OE1 9.578 H A 0005 GLU OE1
H A 0004 GLU OE1 10.08 H A 0005 GLU OE2
H A 0004 GLU OE2 11.22 H A 0005 GLU OE1
H A 0004 GLU OE2 11.48 H A 0005 GLU OE2
C A 0014 ASP OD1 5.158 C A 0018 ASP OD1
C A 0014 ASP OD1 3.911 C A 0018 ASP OD2
C A 0014 ASP OD2 4.606 C A 0018 ASP OD1
C A 0014 ASP OD2 4.333 C A 0018 ASP OD2
C A 0014 ASP OD1 5.739 H A 0022 ASP OD1
C A 0014 ASP OD1 5.270 H A 0022 ASP OD2
C A 0014 ASP OD2 7.835 H A 0022 ASP OD1
C A 0014 ASP OD2 7.129 H A 0022 ASP OD2
C A 0014 ASP OD1 8.392 H A 0024 GLU OE1
C A 0014 ASP OD1 9.596 H A 0024 GLU OE2
C A 0014 ASP OD2 10.46 H A 0024 GLU OE1
C A 0014 ASP OD2 11.78 H A 0024 GLU OE2
C A 0014 ASP OD1 2.903 H A 0025 GLU OE1
C A 0014 ASP OD1 3.416 H A 0025 GLU OE2
C A 0014 ASP OD2 5.050 H A 0025 GLU OE1
C A 0014 ASP OD2 5.556 H A 0025 GLU OE2
C A 0014 ASP OD1 8.856 H A 0028 GLU OE1
C A 0014 ASP OD1 7.507 H A 0028 GLU OE2
C A 0014 ASP OD2 10.38 H A 0028 GLU OE1
C A 0014 ASP OD2 9.278 H A 0028 GLU OE2
C A 0015 LYS NZ 11.89 H A 0031 ARG NH1
C A 0018 ASP OD1 9.925 H A 0022 ASP OD1
C A 0018 ASP OD1 8.930 H A 0022 ASP OD2
C A 0018 ASP OD2 7.841 H A 0022 ASP OD1
C A 0018 ASP OD2 6.824 H A 0022 ASP OD2
C A 0018 ASP OD2 10.53 H A 0024 GLU OE1
C A 0018 ASP OD2 11.12 H A 0024 GLU OE2
C A 0018 ASP OD1 7.391 H A 0025 GLU OE1
C A 0018 ASP OD1 6.680 H A 0025 GLU OE2
C A 0018 ASP OD2 5.510 H A 0025 GLU OE1
C A 0018 ASP OD2 4.791 H A 0025 GLU OE2
C A 0018 ASP OD1 11.89 H A 0028 GLU OE1
C A 0018 ASP OD1 11.18 H A 0028 GLU OE2
C A 0018 ASP OD2 10.77 H A 0028 GLU OE1
C A 0018 ASP OD2 9.762 H A 0028 GLU OE2
H A 0022 ASP OD1 2.750 H A 0024 GLU OE1
H A 0022 ASP OD1 4.082 H A 0024 GLU OE2
H A 0022 ASP OD2 4.492 H A 0024 GLU OE1
H A 0022 ASP OD2 5.678 H A 0024 GLU OE2
H A 0022 ASP OD1 2.846 H A 0025 GLU OE1
H A 0022 ASP OD1 3.992 H A 0025 GLU OE2
H A 0022 ASP OD2 2.945 H A 0025 GLU OE1
H A 0022 ASP OD2 4.403 H A 0025 GLU OE2
H A 0022 ASP OD1 8.476 H A 0028 GLU OE1
H A 0022 ASP OD1 6.318 H A 0028 GLU OE2
H A 0022 ASP OD2 10.25 H A 0028 GLU OE1
H A 0022 ASP OD2 8.191 H A 0028 GLU OE2
H A 0024 GLU OE1 5.510 H A 0025 GLU OE1
H A 0024 GLU OE1 6.405 H A 0025 GLU OE2
H A 0024 GLU OE2 6.727 H A 0025 GLU OE1
H A 0024 GLU OE2 6.976 H A 0025 GLU OE2
H A 0024 GLU OE1 9.078 H A 0028 GLU OE1
H A 0024 GLU OE1 6.904 H A 0028 GLU OE2
H A 0024 GLU OE2 9.151 H A 0028 GLU OE1
H A 0024 GLU OE2 7.195 H A 0028 GLU OE2
H A 0025 GLU OE1 8.014 H A 0028 GLU OE1
H A 0025 GLU OE1 6.154 H A 0028 GLU OE2
H A 0025 GLU OE2 6.875 H A 0028 GLU OE1
H A 0025 GLU OE2 5.356 H A 0028 GLU OE2
HB_MM 2.00 3.20 65
H A 0002 SER N 2.265 H A 0001 LYS O
H A 0003 GLU N 3.167 H A 0001 LYS O
H A 0003 GLU N 2.258 H A 0002 SER O
H A 0004 GLU N 3.112 H A 0001 LYS O
H A 0004 GLU N 2.265 H A 0003 GLU O
H A 0005 GLU N 3.012 H A 0001 LYS O
H A 0005 GLU N 2.265 H A 0004 GLU O
H A 0006 LEU N 2.261 H A 0005 GLU O
H A 0007 ALA N 3.108 H A 0004 GLU O
H A 0007 ALA N 2.260 H A 0006 LEU O
H A 0008 ASN N 3.157 H A 0004 GLU O
H A 0008 ASN N 3.160 H A 0006 LEU O
H A 0008 ASN N 2.244 H A 0007 ALA O
H A 0009 ALA N 2.973 H A 0005 GLU O
H A 0009 ALA N 2.253 H A 0008 ASN O
H A 0010 PHE N 2.982 H A 0006 LEU O
H A 0010 PHE N 3.079 H A 0008 ASN O
H A 0010 PHE N 2.254 H A 0009 ALA O
H A 0011 ARG N 3.026 H A 0007 ALA O
H A 0011 ARG N 2.964 H A 0008 ASN O
H A 0011 ARG N 2.234 H A 0010 PHE O
H A 0012 ILE N 2.775 H A 0008 ASN O
H A 0012 ILE N 3.073 H A 0010 PHE O
H A 0012 ILE N 2.259 H A 0011 ARG O
C A 0013 PHE N 2.260 H A 0012 ILE O
C A 0014 ASP N 3.033 H A 0010 PHE O
C A 0014 ASP N 2.250 C A 0013 PHE O
C A 0015 LYS N 3.135 C A 0013 PHE O
C A 0015 LYS N 2.283 C A 0014 ASP O
C A 0016 ASN N 2.243 C A 0015 LYS O
C A 0017 ALA N 2.223 C A 0016 ASN O
C A 0018 ASP N 2.855 C A 0016 ASN O
C A 0018 ASP N 2.246 C A 0017 ALA O
C A 0019 GLY N 2.826 C A 0017 ALA O
C A 0019 GLY N 2.272 C A 0018 ASP O
C A 0020 TYR N 3.068 C A 0017 ALA O
C A 0020 TYR N 2.250 C A 0019 GLY O
C A 0021 ILE N 2.274 C A 0020 TYR O
H A 0022 ASP N 2.262 C A 0021 ILE O
H A 0023 ILE N 2.252 H A 0022 ASP O
H A 0024 GLU N 2.246 H A 0023 ILE O
H A 0025 GLU N 3.055 H A 0022 ASP O
H A 0025 GLU N 2.256 H A 0024 GLU O
H A 0026 LEU N 2.704 H A 0022 ASP O
H A 0026 LEU N 2.256 H A 0025 GLU O
H A 0027 GLY N 2.914 H A 0023 ILE O
H A 0027 GLY N 3.179 H A 0024 GLU O
H A 0027 GLY N 2.278 H A 0026 LEU O
H A 0028 GLU N 2.967 H A 0024 GLU O
H A 0028 GLU N 2.258 H A 0027 GLY O
H A 0029 ILE N 3.002 H A 0025 GLU O
H A 0029 ILE N 3.054 H A 0026 LEU O
H A 0029 ILE N 2.260 H A 0028 GLU O
H A 0030 LEU N 3.010 H A 0026 LEU O
H A 0030 LEU N 3.107 H A 0027 GLY O
H A 0030 LEU N 2.253 H A 0029 ILE O
H A 0031 ARG N 2.903 H A 0027 GLY O
H A 0031 ARG N 2.262 H A 0030 LEU O
H A 0032 ALA N 2.996 H A 0028 GLU O
H A 0032 ALA N 3.076 H A 0029 ILE O
H A 0032 ALA N 2.266 H A 0031 ARG O
H A 0033 THR N 3.116 H A 0029 ILE O
H A 0033 THR N 2.255 H A 0032 ALA O
H A 0034 GLY N 2.796 H A 0030 LEU O
H A 0034 GLY N 2.265 H A 0033 THR O
HB_MS 2.00 3.20 5
H A 0004 GLU O 2.829 H A 0008 ASN ND2
C A 0015 LYS N 2.970 H A 0025 GLU OE2
C A 0016 ASN N 2.934 C A 0018 ASP OD2
H A 0022 ASP N 3.007 H A 0025 GLU OE1
H A 0034 GLY N 3.057 H A 0033 THR OG1
HB_SS 2.00 3.20 1
H A 0022 ASP OD2 2.792 C A 0016 ASN ND2
AROMATIC 0.00 8.00 1
H A 0011 ARG 7.328 H A 0010 PHE
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 24
H A 0006 LEU CD1 3.643 H B 0026 LEU CD2
H A 0006 LEU CD1 3.583 H B 0027 GLY CA
H A 0006 LEU CD1 3.792 H B 0030 LEU CD1
H A 0009 ALA C 3.788 H B 0026 LEU CD2
H A 0009 ALA CB 3.750 H B 0030 LEU CD2
H A 0010 PHE CE1 3.679 H B 0022 ASP C
H A 0010 PHE CB 3.695 H B 0023 ILE CD1
H A 0010 PHE CG 3.762 H B 0023 ILE CD1
H A 0010 PHE CA 3.737 H B 0026 LEU CD2
C A 0020 TYR CD1 3.714 C B 0020 TYR CD2
C A 0020 TYR CE1 3.721 C B 0020 TYR CD2
C A 0021 ILE CG2 3.674 C B 0021 ILE CB
C A 0021 ILE CG2 3.736 C B 0021 ILE CG2
C A 0021 ILE CD1 3.638 H B 0026 LEU CD1
H A 0022 ASP CA 3.760 H B 0010 PHE CE1
H A 0022 ASP C 3.449 H B 0010 PHE CE1
H A 0026 LEU CD2 3.740 H B 0010 PHE CD1
H A 0026 LEU CD1 3.665 H B 0013 PHE CD2
H A 0026 LEU CD1 3.699 H B 0029 ILE CD1
H A 0029 ILE CD1 3.529 H B 0026 LEU CD1
H A 0029 ILE CG2 3.757 H B 0029 ILE CG2
H A 0029 ILE CG2 3.793 H B 0030 LEU CD2
H A 0030 LEU CD1 3.762 H B 0029 ILE CG2
H A 0034 GLY C 3.779 H B 0032 ALA C
CHARGE_ATTR 2.00 12.00 13
H A 0003 GLU OE1 9.087 H B 0031 ARG NH1
H A 0003 GLU OE1 8.524 H B 0031 ARG NH2
H A 0003 GLU OE2 8.392 H B 0031 ARG NH1
H A 0003 GLU OE2 7.320 H B 0031 ARG NH2
H A 0004 GLU OE1 11.86 H B 0031 ARG NH1
H A 0005 GLU OE1 4.159 H B 0031 ARG NH1
H A 0005 GLU OE1 5.998 H B 0031 ARG NH2
H A 0005 GLU OE2 6.174 H B 0031 ARG NH1
H A 0005 GLU OE2 8.023 H B 0031 ARG NH2
H A 0031 ARG NH1 11.04 H B 0003 GLU OE1
H A 0031 ARG NH1 10.80 H B 0003 GLU OE2
H A 0031 ARG NH2 9.418 H B 0003 GLU OE1
H A 0031 ARG NH2 8.985 H B 0003 GLU OE2
CHARGE_REPU 2.00 12.00 42
H A 0001 LYS NZ 10.80 H B 0031 ARG NH1
H A 0003 GLU OE1 10.75 H B 0024 GLU OE1
H A 0003 GLU OE1 10.83 H B 0024 GLU OE2
H A 0003 GLU OE2 9.131 H B 0024 GLU OE1
H A 0003 GLU OE2 9.583 H B 0024 GLU OE2
H A 0005 GLU OE1 11.39 H B 0024 GLU OE1
H A 0005 GLU OE1 10.72 H B 0024 GLU OE2
H A 0005 GLU OE2 11.58 H B 0024 GLU OE2
H A 0005 GLU OE1 10.86 H B 0028 GLU OE2
C A 0014 ASP OD1 11.29 C B 0018 ASP OD1
C A 0014 ASP OD1 11.02 C B 0018 ASP OD2
C A 0014 ASP OD2 11.09 C B 0018 ASP OD1
C A 0014 ASP OD2 10.52 C B 0018 ASP OD2
C A 0014 ASP OD1 10.84 H B 0022 ASP OD1
C A 0014 ASP OD1 9.941 H B 0022 ASP OD2
C A 0014 ASP OD2 9.492 H B 0022 ASP OD1
C A 0014 ASP OD2 8.856 H B 0022 ASP OD2
C A 0014 ASP OD2 11.35 H B 0024 GLU OE2
C A 0014 ASP OD1 10.56 H B 0025 GLU OE1
C A 0014 ASP OD2 9.651 H B 0025 GLU OE1
C A 0014 ASP OD2 11.81 H B 0025 GLU OE2
C A 0018 ASP OD1 11.87 H B 0022 ASP OD2
C A 0018 ASP OD2 11.67 H B 0022 ASP OD2
H A 0022 ASP OD1 11.73 H B 0003 GLU OE2
H A 0022 ASP OD1 11.85 H B 0014 ASP OD2
H A 0022 ASP OD2 11.65 H B 0014 ASP OD1
H A 0022 ASP OD2 11.08 H B 0014 ASP OD2
H A 0022 ASP OD1 11.55 C B 0018 ASP OD1
H A 0022 ASP OD2 10.19 C B 0018 ASP OD1
H A 0022 ASP OD2 10.52 C B 0018 ASP OD2
H A 0022 ASP OD2 11.07 H B 0022 ASP OD2
H A 0022 ASP OD2 11.72 H B 0025 GLU OE1
H A 0024 GLU OE1 11.05 H B 0003 GLU OE1
H A 0024 GLU OE1 9.010 H B 0003 GLU OE2
H A 0024 GLU OE2 10.79 H B 0003 GLU OE1
H A 0024 GLU OE2 8.738 H B 0003 GLU OE2
H A 0025 GLU OE1 11.22 C B 0018 ASP OD1
H A 0025 GLU OE1 11.40 C B 0018 ASP OD2
H A 0025 GLU OE1 11.08 H B 0022 ASP OD2
H A 0025 GLU OE1 11.42 H B 0025 GLU OE1
H A 0031 ARG NH1 9.786 C B 0001 LYS NZ
H A 0031 ARG NH2 9.223 C B 0001 LYS NZ
HB_MM 2.00 3.20 3
C A 0021 ILE N 2.726 C B 0021 ILE O
C A 0021 ILE O 2.911 C B 0021 ILE N
H A 0034 GLY O 3.030 C B 0033 THR N
HB_MS 2.00 3.20 2
H A 0033 THR OG1 2.765 H B 0032 ALA O
H A 0034 GLY O 2.748 C B 0033 THR OG1
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 118
C B 0001 LYS C 2.496 H B 0002 SER CA
C B 0001 LYS C 3.698 H B 0002 SER C
C B 0001 LYS C 3.271 H B 0002 SER CB
H B 0002 SER C 2.487 H B 0003 GLU CA
H B 0002 SER C 3.016 H B 0003 GLU C
H B 0002 SER C 3.749 H B 0003 GLU CB
H B 0003 GLU C 2.494 H B 0004 GLU CA
H B 0003 GLU C 3.102 H B 0004 GLU C
H B 0003 GLU C 3.725 H B 0004 GLU CB
H B 0004 GLU C 2.476 H B 0005 GLU CA
H B 0004 GLU C 3.115 H B 0005 GLU C
H B 0004 GLU C 3.759 H B 0005 GLU CB
H B 0005 GLU C 2.473 H B 0006 LEU CA
H B 0005 GLU C 3.151 H B 0006 LEU C
H B 0005 GLU C 3.724 H B 0006 LEU CB
H B 0006 LEU C 2.483 H B 0007 ALA CA
H B 0006 LEU C 3.033 H B 0007 ALA C
H B 0006 LEU C 3.746 H B 0007 ALA CB
H B 0007 ALA C 2.466 H B 0008 ASN CA
H B 0007 ALA C 3.113 H B 0008 ASN C
H B 0007 ALA C 3.708 H B 0008 ASN CB
H B 0008 ASN C 2.469 H B 0009 ALA CA
H B 0008 ASN C 3.082 H B 0009 ALA C
H B 0008 ASN C 3.746 H B 0009 ALA CB
H B 0009 ALA C 2.489 H B 0010 PHE CA
H B 0009 ALA C 3.072 H B 0010 PHE C
H B 0009 ALA C 3.728 H B 0010 PHE CB
H B 0009 ALA C 3.614 H B 0013 PHE CD2
H B 0010 PHE CA 3.786 H B 0011 ARG CA
H B 0010 PHE C 2.466 H B 0011 ARG CA
H B 0010 PHE C 3.152 H B 0011 ARG C
H B 0010 PHE C 3.739 H B 0011 ARG CB
H B 0010 PHE CE2 3.447 C B 0019 GLY C
H B 0010 PHE CZ 3.733 C B 0019 GLY C
H B 0010 PHE CZ 3.726 C B 0020 TYR CA
H B 0010 PHE CD1 3.675 C B 0021 ILE CD1
H B 0010 PHE CE1 3.570 C B 0021 ILE CD1
H B 0011 ARG CA 3.793 H B 0012 ILE CA
H B 0011 ARG C 2.466 H B 0012 ILE CA
H B 0011 ARG C 3.111 H B 0012 ILE C
H B 0011 ARG C 3.761 H B 0012 ILE CB
H B 0012 ILE C 2.494 H B 0013 PHE CA
H B 0012 ILE C 3.302 H B 0013 PHE C
H B 0012 ILE C 3.643 H B 0013 PHE CB
H B 0013 PHE C 2.516 H B 0014 ASP CA
H B 0013 PHE C 3.242 H B 0014 ASP C
H B 0013 PHE C 3.715 H B 0014 ASP CB
H B 0013 PHE CB 3.746 C B 0021 ILE CG1
H B 0013 PHE CG 3.785 H B 0029 ILE CG1
H B 0014 ASP C 2.487 C B 0015 LYS CA
H B 0014 ASP C 3.055 C B 0015 LYS C
H B 0014 ASP C 3.747 C B 0015 LYS CB
C B 0015 LYS C 2.468 C B 0016 ASN CA
C B 0015 LYS C 3.365 C B 0016 ASN C
C B 0015 LYS C 3.632 C B 0016 ASN CB
C B 0016 ASN C 2.518 C B 0017 ALA CA
C B 0016 ASN C 3.206 C B 0017 ALA C
C B 0016 ASN C 3.190 C B 0017 ALA CB
C B 0017 ALA C 2.472 C B 0018 ASP CA
C B 0017 ALA C 3.374 C B 0018 ASP C
C B 0017 ALA C 3.660 C B 0018 ASP CB
C B 0018 ASP C 2.488 C B 0019 GLY CA
C B 0018 ASP C 3.166 C B 0019 GLY C
C B 0018 ASP CB 3.680 C B 0020 TYR CD2
C B 0018 ASP CG 3.577 C B 0020 TYR CB
C B 0018 ASP CG 3.372 C B 0020 TYR CD2
C B 0019 GLY C 2.495 C B 0020 TYR CA
C B 0019 GLY C 3.644 C B 0020 TYR C
C B 0019 GLY C 3.410 C B 0020 TYR CB
C B 0019 GLY C 3.442 C B 0020 TYR CG
C B 0019 GLY C 3.475 C B 0020 TYR CD1
C B 0020 TYR C 2.483 C B 0021 ILE CA
C B 0020 TYR C 3.545 C B 0021 ILE C
C B 0020 TYR C 3.474 C B 0021 ILE CB
C B 0020 TYR C 3.724 C B 0021 ILE CG1
C B 0020 TYR C 3.560 C B 0021 ILE CD1
C B 0021 ILE C 2.475 H B 0022 ASP CA
C B 0021 ILE C 3.563 H B 0022 ASP C
C B 0021 ILE C 3.492 H B 0022 ASP CB
C B 0021 ILE CG2 3.734 H B 0025 GLU CB
C B 0021 ILE CG2 3.593 H B 0029 ILE CD1
H B 0022 ASP C 2.496 H B 0023 ILE CA
H B 0022 ASP C 3.137 H B 0023 ILE C
H B 0022 ASP C 3.730 H B 0023 ILE CB
H B 0023 ILE C 2.455 H B 0024 GLU CA
H B 0023 ILE C 3.203 H B 0024 GLU C
H B 0023 ILE C 3.734 H B 0024 GLU CB
H B 0023 ILE C 3.799 H B 0026 LEU CB
H B 0024 GLU CA 3.795 H B 0025 GLU CA
H B 0024 GLU C 2.497 H B 0025 GLU CA
H B 0024 GLU C 3.067 H B 0025 GLU C
H B 0024 GLU C 3.670 H B 0025 GLU CB
H B 0025 GLU C 2.490 H B 0026 LEU CA
H B 0025 GLU C 3.085 H B 0026 LEU C
H B 0025 GLU C 3.727 H B 0026 LEU CB
H B 0026 LEU C 2.489 H B 0027 GLY CA
H B 0026 LEU C 3.030 H B 0027 GLY C
H B 0027 GLY C 2.485 H B 0028 GLU CA
H B 0027 GLY C 3.071 H B 0028 GLU C
H B 0027 GLY C 3.763 H B 0028 GLU CB
H B 0028 GLU C 2.479 H B 0029 ILE CA
H B 0028 GLU C 3.087 H B 0029 ILE C
H B 0028 GLU C 3.753 H B 0029 ILE CB
H B 0029 ILE C 2.490 H B 0030 LEU CA
H B 0029 ILE C 3.121 H B 0030 LEU C
H B 0029 ILE C 3.768 H B 0030 LEU CB
H B 0030 LEU C 2.482 H B 0031 ARG CA
H B 0030 LEU C 3.097 H B 0031 ARG C
H B 0030 LEU C 3.768 H B 0031 ARG CB
H B 0031 ARG C 2.478 H B 0032 ALA CA
H B 0031 ARG C 3.322 H B 0032 ALA C
H B 0031 ARG C 3.700 H B 0032 ALA CB
H B 0032 ALA CA 2.958 C B 0033 THR CA
H B 0032 ALA C 2.522 C B 0033 THR CA
H B 0032 ALA C 3.544 C B 0033 THR C
H B 0032 ALA C 3.581 C B 0033 THR CB
C B 0033 THR C 2.478 C B 0034 GLY CA
C B 0033 THR C 3.256 C B 0034 GLY C
CHARGE_ATTR 2.00 12.00 28
H B 0005 GLU OE1 11.11 C B 0001 LYS NZ
H B 0014 ASP OD1 6.992 H B 0011 ARG NH1
H B 0014 ASP OD1 5.289 H B 0011 ARG NH2
H B 0014 ASP OD2 5.634 H B 0011 ARG NH1
H B 0014 ASP OD2 4.489 H B 0011 ARG NH2
H B 0014 ASP OD1 10.16 C B 0015 LYS NZ
H B 0014 ASP OD2 11.44 C B 0015 LYS NZ
C B 0018 ASP OD1 8.984 H B 0011 ARG NH1
C B 0018 ASP OD1 7.574 H B 0011 ARG NH2
C B 0018 ASP OD2 10.97 H B 0011 ARG NH1
C B 0018 ASP OD2 9.514 H B 0011 ARG NH2
H B 0022 ASP OD2 11.52 H B 0011 ARG NH2
H B 0022 ASP OD1 10.65 C B 0015 LYS NZ
H B 0024 GLU OE1 9.609 H B 0031 ARG NH1
H B 0024 GLU OE1 7.943 H B 0031 ARG NH2
H B 0024 GLU OE2 9.745 H B 0031 ARG NH1
H B 0024 GLU OE2 8.499 H B 0031 ARG NH2
H B 0025 GLU OE1 10.12 H B 0011 ARG NH2
H B 0025 GLU OE2 10.77 H B 0011 ARG NH1
H B 0025 GLU OE2 8.669 H B 0011 ARG NH2
H B 0025 GLU OE1 9.255 C B 0015 LYS NZ
H B 0025 GLU OE2 7.298 C B 0015 LYS NZ
H B 0028 GLU OE1 6.543 C B 0015 LYS NZ
H B 0028 GLU OE2 7.914 C B 0015 LYS NZ
H B 0028 GLU OE1 9.037 H B 0031 ARG NH1
H B 0028 GLU OE1 8.109 H B 0031 ARG NH2
H B 0028 GLU OE2 7.391 H B 0031 ARG NH1
H B 0028 GLU OE2 6.190 H B 0031 ARG NH2
CHARGE_REPU 2.00 12.00 54
H B 0003 GLU OE1 9.812 H B 0004 GLU OE1
H B 0003 GLU OE1 9.145 H B 0004 GLU OE2
H B 0003 GLU OE2 10.92 H B 0004 GLU OE1
H B 0003 GLU OE2 10.07 H B 0004 GLU OE2
H B 0003 GLU OE1 9.923 H B 0005 GLU OE1
H B 0003 GLU OE1 11.16 H B 0005 GLU OE2
H B 0003 GLU OE2 11.13 H B 0005 GLU OE1
H B 0004 GLU OE1 4.420 H B 0005 GLU OE1
H B 0004 GLU OE1 4.023 H B 0005 GLU OE2
H B 0004 GLU OE2 6.343 H B 0005 GLU OE1
H B 0004 GLU OE2 5.986 H B 0005 GLU OE2
H B 0011 ARG NH2 10.79 C B 0015 LYS NZ
H B 0014 ASP OD1 2.713 C B 0018 ASP OD1
H B 0014 ASP OD1 4.714 C B 0018 ASP OD2
H B 0014 ASP OD2 3.945 C B 0018 ASP OD1
H B 0014 ASP OD2 6.160 C B 0018 ASP OD2
H B 0014 ASP OD1 7.228 H B 0022 ASP OD1
H B 0014 ASP OD1 6.350 H B 0022 ASP OD2
H B 0014 ASP OD2 9.171 H B 0022 ASP OD1
H B 0014 ASP OD2 8.123 H B 0022 ASP OD2
H B 0014 ASP OD1 5.270 H B 0025 GLU OE1
H B 0014 ASP OD1 4.592 H B 0025 GLU OE2
H B 0014 ASP OD2 7.031 H B 0025 GLU OE1
H B 0014 ASP OD2 6.474 H B 0025 GLU OE2
C B 0018 ASP OD1 6.265 H B 0022 ASP OD1
C B 0018 ASP OD1 4.672 H B 0022 ASP OD2
C B 0018 ASP OD2 5.325 H B 0022 ASP OD1
C B 0018 ASP OD2 3.362 H B 0022 ASP OD2
C B 0018 ASP OD1 5.114 H B 0025 GLU OE1
C B 0018 ASP OD1 5.456 H B 0025 GLU OE2
C B 0018 ASP OD2 5.251 H B 0025 GLU OE1
C B 0018 ASP OD2 6.068 H B 0025 GLU OE2
H B 0022 ASP OD1 8.228 H B 0024 GLU OE1
H B 0022 ASP OD1 7.430 H B 0024 GLU OE2
H B 0022 ASP OD2 10.28 H B 0024 GLU OE1
H B 0022 ASP OD2 9.253 H B 0024 GLU OE2
H B 0022 ASP OD1 2.793 H B 0025 GLU OE1
H B 0022 ASP OD1 4.304 H B 0025 GLU OE2
H B 0022 ASP OD2 3.373 H B 0025 GLU OE1
H B 0022 ASP OD2 5.022 H B 0025 GLU OE2
H B 0022 ASP OD1 11.52 H B 0028 GLU OE1
H B 0022 ASP OD1 10.75 H B 0028 GLU OE2
H B 0024 GLU OE1 9.806 H B 0025 GLU OE1
H B 0024 GLU OE1 10.51 H B 0025 GLU OE2
H B 0024 GLU OE2 9.174 H B 0025 GLU OE1
H B 0024 GLU OE2 10.33 H B 0025 GLU OE2
H B 0024 GLU OE1 9.976 H B 0028 GLU OE1
H B 0024 GLU OE1 8.003 H B 0028 GLU OE2
H B 0024 GLU OE2 11.03 H B 0028 GLU OE1
H B 0024 GLU OE2 9.082 H B 0028 GLU OE2
H B 0025 GLU OE1 10.45 H B 0028 GLU OE1
H B 0025 GLU OE1 10.13 H B 0028 GLU OE2
H B 0025 GLU OE2 9.633 H B 0028 GLU OE1
H B 0025 GLU OE2 9.712 H B 0028 GLU OE2
HB_MM 2.00 3.20 59
H B 0002 SER N 2.267 C B 0001 LYS O
H B 0003 GLU N 2.260 H B 0002 SER O
H B 0004 GLU N 2.259 H B 0003 GLU O
H B 0005 GLU N 3.138 H B 0002 SER O
H B 0005 GLU N 2.256 H B 0004 GLU O
H B 0006 LEU N 2.821 H B 0002 SER O
H B 0006 LEU N 2.255 H B 0005 GLU O
H B 0007 ALA N 2.894 H B 0003 GLU O
H B 0007 ALA N 2.246 H B 0006 LEU O
H B 0008 ASN N 2.248 H B 0007 ALA O
H B 0009 ALA N 3.118 H B 0006 LEU O
H B 0009 ALA N 2.258 H B 0008 ASN O
H B 0010 PHE N 2.833 H B 0006 LEU O
H B 0010 PHE N 2.250 H B 0009 ALA O
H B 0011 ARG N 3.121 H B 0007 ALA O
H B 0011 ARG N 3.010 H B 0008 ASN O
H B 0011 ARG N 2.246 H B 0010 PHE O
H B 0012 ILE N 2.908 H B 0008 ASN O
H B 0012 ILE N 3.106 H B 0009 ALA O
H B 0012 ILE N 2.266 H B 0011 ARG O
H B 0013 PHE N 3.100 H B 0009 ALA O
H B 0013 PHE N 3.139 H B 0010 PHE O
H B 0013 PHE N 2.257 H B 0012 ILE O
H B 0014 ASP N 2.794 H B 0010 PHE O
H B 0014 ASP N 2.254 H B 0013 PHE O
C B 0015 LYS N 2.870 H B 0013 PHE O
C B 0015 LYS N 2.258 H B 0014 ASP O
C B 0016 ASN N 2.255 C B 0015 LYS O
C B 0017 ALA N 2.938 H B 0014 ASP O
C B 0017 ALA N 2.260 C B 0016 ASN O
C B 0018 ASP N 2.983 C B 0016 ASN O
C B 0018 ASP N 2.228 C B 0017 ALA O
C B 0019 GLY N 2.260 C B 0018 ASP O
C B 0020 TYR N 2.262 C B 0019 GLY O
C B 0021 ILE N 2.257 C B 0020 TYR O
H B 0022 ASP N 2.245 C B 0021 ILE O
H B 0023 ILE N 2.254 H B 0022 ASP O
H B 0024 GLU N 3.105 H B 0022 ASP O
H B 0024 GLU N 2.236 H B 0023 ILE O
H B 0025 GLU N 3.125 H B 0022 ASP O
H B 0025 GLU N 2.264 H B 0024 GLU O
H B 0026 LEU N 2.821 H B 0022 ASP O
H B 0026 LEU N 2.266 H B 0025 GLU O
H B 0027 GLY N 3.005 H B 0024 GLU O
H B 0027 GLY N 2.261 H B 0026 LEU O
H B 0028 GLU N 3.169 H B 0025 GLU O
H B 0028 GLU N 2.258 H B 0027 GLY O
H B 0029 ILE N 3.029 H B 0026 LEU O
H B 0029 ILE N 2.259 H B 0028 GLU O
H B 0030 LEU N 2.893 H B 0026 LEU O
H B 0030 LEU N 3.075 H B 0027 GLY O
H B 0030 LEU N 2.263 H B 0029 ILE O
H B 0031 ARG N 3.034 H B 0027 GLY O
H B 0031 ARG N 2.256 H B 0030 LEU O
H B 0032 ALA N 3.049 H B 0029 ILE O
H B 0032 ALA N 2.255 H B 0031 ARG O
C B 0033 THR N 2.225 H B 0032 ALA O
C B 0034 GLY N 2.904 H B 0031 ARG O
C B 0034 GLY N 2.269 C B 0033 THR O
HB_MS 2.00 3.20 7
H B 0005 GLU N 2.931 H B 0002 SER OG
C B 0015 LYS N 3.009 H B 0025 GLU OE2
C B 0017 ALA N 3.122 H B 0014 ASP OD1
C B 0018 ASP N 2.967 H B 0014 ASP OD1
C B 0019 GLY N 2.999 H B 0014 ASP OD2
C B 0020 TYR N 2.891 C B 0018 ASP OD1
H B 0022 ASP N 2.838 H B 0025 GLU OE1
HB_SS 2.00 3.20 2
H B 0005 GLU OE1 2.673 H B 0002 SER OG
C B 0018 ASP OD2 3.023 C B 0016 ASN ND2