Complet list of 1cta con file
Complete list of 1cta.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 126
C A 0001 LYS C 2.531 C A 0002 SER CA
C A 0001 LYS C 3.041 C A 0002 SER C
C A 0001 LYS C 3.613 C A 0002 SER CB
C A 0001 LYS C 3.743 H A 0005 GLU CB
C A 0002 SER C 2.522 H A 0003 GLU CA
C A 0002 SER C 3.185 H A 0003 GLU C
C A 0002 SER C 3.151 H A 0003 GLU CB
C A 0002 SER C 3.642 H A 0003 GLU CD
H A 0003 GLU C 2.488 H A 0004 GLU CA
H A 0003 GLU C 3.123 H A 0004 GLU C
H A 0003 GLU C 3.694 H A 0004 GLU CB
H A 0004 GLU C 2.487 H A 0005 GLU CA
H A 0004 GLU C 3.031 H A 0005 GLU C
H A 0004 GLU C 3.736 H A 0005 GLU CB
H A 0005 GLU C 2.463 H A 0006 LEU CA
H A 0005 GLU C 3.050 H A 0006 LEU C
H A 0005 GLU C 3.692 H A 0006 LEU CB
H A 0006 LEU C 2.489 H A 0007 ALA CA
H A 0006 LEU C 3.057 H A 0007 ALA C
H A 0006 LEU C 3.759 H A 0007 ALA CB
H A 0007 ALA C 2.465 H A 0008 ASN CA
H A 0007 ALA C 3.113 H A 0008 ASN C
H A 0007 ALA C 3.721 H A 0008 ASN CB
H A 0008 ASN C 2.456 H A 0009 ALA CA
H A 0008 ASN C 3.058 H A 0009 ALA C
H A 0008 ASN C 3.734 H A 0009 ALA CB
H A 0009 ALA C 2.498 H A 0010 PHE CA
H A 0009 ALA C 3.034 H A 0010 PHE C
H A 0009 ALA C 3.729 H A 0010 PHE CB
H A 0009 ALA C 3.520 H A 0013 PHE CD2
H A 0010 PHE CA 3.777 H A 0011 ARG CA
H A 0010 PHE C 2.458 H A 0011 ARG CA
H A 0010 PHE C 3.201 H A 0011 ARG C
H A 0010 PHE C 3.735 H A 0011 ARG CB
H A 0010 PHE CE2 3.497 C A 0019 GLY C
H A 0010 PHE CZ 3.490 C A 0019 GLY C
H A 0010 PHE CZ 3.716 C A 0020 TYR CA
H A 0010 PHE CD1 3.615 C A 0021 ILE CD1
H A 0010 PHE CE1 3.696 C A 0021 ILE CD1
H A 0011 ARG CA 3.800 H A 0012 ILE CA
H A 0011 ARG C 2.460 H A 0012 ILE CA
H A 0011 ARG C 3.076 H A 0012 ILE C
H A 0011 ARG C 3.758 H A 0012 ILE CB
H A 0012 ILE C 2.500 H A 0013 PHE CA
H A 0012 ILE C 3.325 H A 0013 PHE C
H A 0012 ILE C 3.628 H A 0013 PHE CB
H A 0013 PHE C 2.528 H A 0014 ASP CA
H A 0013 PHE C 3.301 H A 0014 ASP C
H A 0013 PHE C 3.716 H A 0014 ASP CB
H A 0013 PHE CG 3.703 H A 0029 ILE CG1
H A 0013 PHE CD2 3.555 H A 0029 ILE CG1
H A 0013 PHE CE2 3.767 H A 0029 ILE CG1
H A 0014 ASP C 2.493 C A 0015 LYS CA
H A 0014 ASP C 3.100 C A 0015 LYS C
H A 0014 ASP C 3.762 C A 0015 LYS CB
C A 0015 LYS C 2.484 C A 0016 ASN CA
C A 0015 LYS C 3.262 C A 0016 ASN C
C A 0015 LYS C 3.673 C A 0016 ASN CB
C A 0015 LYS CE 3.562 H A 0028 GLU CD
C A 0016 ASN C 2.526 C A 0017 ALA CA
C A 0016 ASN C 3.200 C A 0017 ALA C
C A 0016 ASN C 3.169 C A 0017 ALA CB
C A 0017 ALA C 2.464 C A 0018 ASP CA
C A 0017 ALA C 3.457 C A 0018 ASP C
C A 0017 ALA C 3.588 C A 0018 ASP CB
C A 0018 ASP C 2.480 C A 0019 GLY CA
C A 0018 ASP C 3.146 C A 0019 GLY C
C A 0018 ASP CB 3.631 C A 0020 TYR CD2
C A 0018 ASP CG 3.414 C A 0020 TYR CB
C A 0018 ASP CG 3.334 C A 0020 TYR CD2
C A 0019 GLY C 2.501 C A 0020 TYR CA
C A 0019 GLY C 3.662 C A 0020 TYR C
C A 0019 GLY C 3.413 C A 0020 TYR CB
C A 0019 GLY C 3.429 C A 0020 TYR CG
C A 0019 GLY C 3.663 C A 0020 TYR CD1
C A 0020 TYR C 2.498 C A 0021 ILE CA
C A 0020 TYR C 3.569 C A 0021 ILE C
C A 0020 TYR C 3.453 C A 0021 ILE CB
C A 0020 TYR C 3.621 C A 0021 ILE CD1
C A 0021 ILE C 2.489 H A 0022 ASP CA
C A 0021 ILE C 3.501 H A 0022 ASP C
C A 0021 ILE C 3.589 H A 0022 ASP CB
C A 0021 ILE CG2 3.756 H A 0029 ILE CD1
H A 0022 ASP C 2.476 H A 0023 ILE CA
H A 0022 ASP C 3.120 H A 0023 ILE C
H A 0022 ASP C 3.753 H A 0023 ILE CB
H A 0022 ASP CG 3.725 H A 0025 GLU CD
H A 0023 ILE C 2.473 H A 0024 GLU CA
H A 0023 ILE C 3.197 H A 0024 GLU C
H A 0023 ILE C 3.779 H A 0024 GLU CB
H A 0024 GLU C 2.503 H A 0025 GLU CA
H A 0024 GLU C 3.178 H A 0025 GLU C
H A 0024 GLU C 3.688 H A 0025 GLU CB
H A 0025 GLU C 2.477 H A 0026 LEU CA
H A 0025 GLU C 3.037 H A 0026 LEU C
H A 0025 GLU C 3.759 H A 0026 LEU CB
H A 0026 LEU C 2.487 H A 0027 GLY CA
H A 0026 LEU C 2.999 H A 0027 GLY C
H A 0026 LEU CA 3.744 H A 0029 ILE CD1
H A 0026 LEU CD2 3.756 H A 0030 LEU CD1
H A 0027 GLY C 2.475 H A 0028 GLU CA
H A 0027 GLY C 3.170 H A 0028 GLU C
H A 0027 GLY C 3.749 H A 0028 GLU CB
H A 0028 GLU C 2.479 H A 0029 ILE CA
H A 0028 GLU C 3.171 H A 0029 ILE C
H A 0028 GLU C 3.750 H A 0029 ILE CB
H A 0028 GLU C 3.678 H A 0031 ARG CB
H A 0029 ILE C 2.486 H A 0030 LEU CA
H A 0029 ILE C 3.200 H A 0030 LEU C
H A 0029 ILE C 3.754 H A 0030 LEU CB
H A 0030 LEU CA 3.763 H A 0031 ARG CA
H A 0030 LEU C 2.480 H A 0031 ARG CA
H A 0030 LEU C 2.988 H A 0031 ARG C
H A 0030 LEU C 3.744 H A 0031 ARG CB
H A 0031 ARG C 2.459 C A 0032 ALA CA
H A 0031 ARG C 3.232 C A 0032 ALA C
H A 0031 ARG C 3.679 C A 0032 ALA CB
H A 0031 ARG C 3.335 C A 0033 THR CA
H A 0031 ARG CD 3.668 C A 0033 THR CG2
C A 0032 ALA CA 3.449 C A 0033 THR CA
C A 0032 ALA C 2.476 C A 0033 THR CA
C A 0032 ALA C 2.930 C A 0033 THR C
C A 0032 ALA C 3.707 C A 0033 THR CB
C A 0033 THR CA 3.773 C A 0034 GLY CA
C A 0033 THR C 2.475 C A 0034 GLY CA
C A 0033 THR C 3.219 C A 0034 GLY C
CHARGE_ATTR 2.00 12.00 33
H A 0003 GLU OE1 10.07 C A 0001 LYS NZ
H A 0003 GLU OE2 11.14 C A 0001 LYS NZ
H A 0004 GLU OE1 3.009 C A 0001 LYS NZ
H A 0004 GLU OE2 3.247 C A 0001 LYS NZ
H A 0005 GLU OE1 6.729 C A 0001 LYS NZ
H A 0005 GLU OE2 6.959 C A 0001 LYS NZ
H A 0014 ASP OD1 6.309 H A 0011 ARG NH1
H A 0014 ASP OD1 6.814 H A 0011 ARG NH2
H A 0014 ASP OD2 5.186 H A 0011 ARG NH1
H A 0014 ASP OD2 5.200 H A 0011 ARG NH2
H A 0014 ASP OD1 9.782 C A 0015 LYS NZ
H A 0014 ASP OD2 11.35 C A 0015 LYS NZ
C A 0018 ASP OD1 8.320 H A 0011 ARG NH1
C A 0018 ASP OD1 8.285 H A 0011 ARG NH2
C A 0018 ASP OD2 10.42 H A 0011 ARG NH1
C A 0018 ASP OD2 10.29 H A 0011 ARG NH2
C A 0018 ASP OD1 11.24 C A 0015 LYS NZ
H A 0022 ASP OD1 8.242 C A 0015 LYS NZ
H A 0022 ASP OD2 9.862 C A 0015 LYS NZ
H A 0024 GLU OE1 8.702 C A 0015 LYS NZ
H A 0024 GLU OE2 8.132 C A 0015 LYS NZ
H A 0025 GLU OE1 11.30 H A 0011 ARG NH1
H A 0025 GLU OE1 11.82 H A 0011 ARG NH2
H A 0025 GLU OE2 10.30 H A 0011 ARG NH1
H A 0025 GLU OE2 11.23 H A 0011 ARG NH2
H A 0025 GLU OE1 7.781 C A 0015 LYS NZ
H A 0025 GLU OE2 6.007 C A 0015 LYS NZ
H A 0028 GLU OE1 4.183 C A 0015 LYS NZ
H A 0028 GLU OE2 3.653 C A 0015 LYS NZ
H A 0028 GLU OE1 10.19 H A 0031 ARG NH1
H A 0028 GLU OE1 10.55 H A 0031 ARG NH2
H A 0028 GLU OE2 9.766 H A 0031 ARG NH1
H A 0028 GLU OE2 9.664 H A 0031 ARG NH2
CHARGE_REPU 2.00 12.00 66
H A 0003 GLU OE1 8.904 H A 0004 GLU OE1
H A 0003 GLU OE1 10.18 H A 0004 GLU OE2
H A 0003 GLU OE2 10.08 H A 0004 GLU OE1
H A 0003 GLU OE2 10.97 H A 0004 GLU OE2
H A 0003 GLU OE1 8.225 H A 0005 GLU OE1
H A 0003 GLU OE1 10.38 H A 0005 GLU OE2
H A 0003 GLU OE2 8.226 H A 0005 GLU OE1
H A 0003 GLU OE2 10.30 H A 0005 GLU OE2
H A 0004 GLU OE1 8.143 H A 0005 GLU OE1
H A 0004 GLU OE1 8.885 H A 0005 GLU OE2
H A 0004 GLU OE2 8.119 H A 0005 GLU OE1
H A 0004 GLU OE2 8.401 H A 0005 GLU OE2
H A 0014 ASP OD1 2.743 C A 0018 ASP OD1
H A 0014 ASP OD1 4.856 C A 0018 ASP OD2
H A 0014 ASP OD2 3.926 C A 0018 ASP OD1
H A 0014 ASP OD2 6.112 C A 0018 ASP OD2
H A 0014 ASP OD1 7.198 H A 0022 ASP OD1
H A 0014 ASP OD1 6.170 H A 0022 ASP OD2
H A 0014 ASP OD2 8.961 H A 0022 ASP OD1
H A 0014 ASP OD2 7.823 H A 0022 ASP OD2
H A 0014 ASP OD1 9.901 H A 0024 GLU OE1
H A 0014 ASP OD1 10.62 H A 0024 GLU OE2
H A 0014 ASP OD2 11.62 H A 0024 GLU OE1
H A 0014 ASP OD1 5.192 H A 0025 GLU OE1
H A 0014 ASP OD1 4.674 H A 0025 GLU OE2
H A 0014 ASP OD2 6.684 H A 0025 GLU OE1
H A 0014 ASP OD2 6.432 H A 0025 GLU OE2
H A 0014 ASP OD1 10.67 H A 0028 GLU OE1
H A 0014 ASP OD1 11.57 H A 0028 GLU OE2
H A 0014 ASP OD2 11.69 H A 0028 GLU OE1
C A 0018 ASP OD1 6.351 H A 0022 ASP OD1
C A 0018 ASP OD1 4.611 H A 0022 ASP OD2
C A 0018 ASP OD2 5.697 H A 0022 ASP OD1
C A 0018 ASP OD2 3.550 H A 0022 ASP OD2
C A 0018 ASP OD1 9.082 H A 0024 GLU OE1
C A 0018 ASP OD1 9.958 H A 0024 GLU OE2
C A 0018 ASP OD2 8.223 H A 0024 GLU OE1
C A 0018 ASP OD2 9.103 H A 0024 GLU OE2
C A 0018 ASP OD1 5.025 H A 0025 GLU OE1
C A 0018 ASP OD1 5.473 H A 0025 GLU OE2
C A 0018 ASP OD2 5.308 H A 0025 GLU OE1
C A 0018 ASP OD2 6.255 H A 0025 GLU OE2
H A 0022 ASP OD1 2.763 H A 0024 GLU OE1
H A 0022 ASP OD1 3.891 H A 0024 GLU OE2
H A 0022 ASP OD2 4.681 H A 0024 GLU OE1
H A 0022 ASP OD2 5.772 H A 0024 GLU OE2
H A 0022 ASP OD1 2.724 H A 0025 GLU OE1
H A 0022 ASP OD1 3.926 H A 0025 GLU OE2
H A 0022 ASP OD2 3.076 H A 0025 GLU OE1
H A 0022 ASP OD2 4.557 H A 0025 GLU OE2
H A 0022 ASP OD1 9.035 H A 0028 GLU OE1
H A 0022 ASP OD1 8.656 H A 0028 GLU OE2
H A 0022 ASP OD2 10.71 H A 0028 GLU OE1
H A 0022 ASP OD2 10.61 H A 0028 GLU OE2
H A 0024 GLU OE1 5.044 H A 0025 GLU OE1
H A 0024 GLU OE1 6.087 H A 0025 GLU OE2
H A 0024 GLU OE2 6.290 H A 0025 GLU OE1
H A 0024 GLU OE2 6.666 H A 0025 GLU OE2
H A 0024 GLU OE1 9.204 H A 0028 GLU OE1
H A 0024 GLU OE1 8.296 H A 0028 GLU OE2
H A 0024 GLU OE2 9.511 H A 0028 GLU OE1
H A 0024 GLU OE2 8.228 H A 0028 GLU OE2
H A 0025 GLU OE1 7.966 H A 0028 GLU OE1
H A 0025 GLU OE1 8.275 H A 0028 GLU OE2
H A 0025 GLU OE2 6.925 H A 0028 GLU OE1
H A 0025 GLU OE2 7.295 H A 0028 GLU OE2
HB_MM 2.00 3.20 64
C A 0002 SER N 2.260 C A 0001 LYS O
H A 0003 GLU N 2.277 C A 0002 SER O
H A 0004 GLU N 2.813 C A 0002 SER O
H A 0004 GLU N 2.257 H A 0003 GLU O
H A 0005 GLU N 2.724 C A 0001 LYS O
H A 0005 GLU N 2.246 H A 0004 GLU O
H A 0006 LEU N 3.176 H A 0003 GLU O
H A 0006 LEU N 2.263 H A 0005 GLU O
H A 0007 ALA N 3.106 H A 0003 GLU O
H A 0007 ALA N 2.266 H A 0006 LEU O
H A 0008 ASN N 3.029 H A 0004 GLU O
H A 0008 ASN N 3.139 H A 0005 GLU O
H A 0008 ASN N 2.249 H A 0007 ALA O
H A 0009 ALA N 2.968 H A 0005 GLU O
H A 0009 ALA N 2.251 H A 0008 ASN O
H A 0010 PHE N 2.877 H A 0006 LEU O
H A 0010 PHE N 2.255 H A 0009 ALA O
H A 0011 ARG N 2.952 H A 0007 ALA O
H A 0011 ARG N 3.006 H A 0008 ASN O
H A 0011 ARG N 3.181 H A 0009 ALA O
H A 0011 ARG N 2.248 H A 0010 PHE O
H A 0012 ILE N 2.857 H A 0008 ASN O
H A 0012 ILE N 3.054 H A 0009 ALA O
H A 0012 ILE N 2.255 H A 0011 ARG O
H A 0013 PHE N 3.163 H A 0010 PHE O
H A 0013 PHE N 2.256 H A 0012 ILE O
H A 0014 ASP N 2.783 H A 0010 PHE O
H A 0014 ASP N 2.251 H A 0013 PHE O
C A 0015 LYS N 2.964 H A 0013 PHE O
C A 0015 LYS N 2.253 H A 0014 ASP O
C A 0016 ASN N 2.254 C A 0015 LYS O
C A 0017 ALA N 2.995 C A 0015 LYS O
C A 0017 ALA N 2.237 C A 0016 ASN O
C A 0018 ASP N 3.078 C A 0016 ASN O
C A 0018 ASP N 2.231 C A 0017 ALA O
C A 0019 GLY N 2.260 C A 0018 ASP O
C A 0020 TYR N 2.268 C A 0019 GLY O
C A 0021 ILE N 2.258 C A 0020 TYR O
H A 0022 ASP N 2.270 C A 0021 ILE O
H A 0023 ILE N 2.248 H A 0022 ASP O
H A 0024 GLU N 3.117 H A 0022 ASP O
H A 0024 GLU N 2.240 H A 0023 ILE O
H A 0025 GLU N 2.951 H A 0022 ASP O
H A 0025 GLU N 2.248 H A 0024 GLU O
H A 0026 LEU N 2.718 H A 0022 ASP O
H A 0026 LEU N 2.251 H A 0025 GLU O
H A 0027 GLY N 2.755 H A 0023 ILE O
H A 0027 GLY N 2.267 H A 0026 LEU O
H A 0028 GLU N 2.880 H A 0024 GLU O
H A 0028 GLU N 3.119 H A 0025 GLU O
H A 0028 GLU N 2.250 H A 0027 GLY O
H A 0029 ILE N 3.020 H A 0025 GLU O
H A 0029 ILE N 3.087 H A 0026 LEU O
H A 0029 ILE N 2.253 H A 0028 GLU O
H A 0030 LEU N 2.713 H A 0026 LEU O
H A 0030 LEU N 2.250 H A 0029 ILE O
H A 0031 ARG N 2.672 H A 0027 GLY O
H A 0031 ARG N 3.158 H A 0029 ILE O
H A 0031 ARG N 2.247 H A 0030 LEU O
C A 0032 ALA N 3.054 H A 0030 LEU O
C A 0032 ALA N 2.258 H A 0031 ARG O
C A 0033 THR N 2.935 H A 0031 ARG O
C A 0033 THR N 2.248 C A 0032 ALA O
C A 0034 GLY N 2.274 C A 0033 THR O
HB_MS 2.00 3.20 6
H A 0004 GLU O 2.839 H A 0008 ASN ND2
C A 0015 LYS N 3.054 H A 0025 GLU OE2
C A 0018 ASP N 3.181 H A 0014 ASP OD1
C A 0019 GLY N 3.167 H A 0014 ASP OD2
C A 0020 TYR N 2.857 C A 0018 ASP OD1
H A 0022 ASP N 2.796 H A 0025 GLU OE1
HB_SS 2.00 3.20 2
H A 0004 GLU OE2 2.993 H A 0008 ASN ND2
C A 0018 ASP OD1 2.882 C A 0016 ASN ND2
AROMATIC 0.00 8.00 1
H A 0011 ARG 7.020 H A 0010 PHE
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 12
H A 0006 LEU CD1 3.777 H B 0026 LEU CD2
H A 0006 LEU CD1 3.600 H B 0027 GLY CA
H A 0010 PHE CE1 3.518 H B 0022 ASP C
H A 0010 PHE CA 3.748 H B 0026 LEU CD2
H A 0010 PHE CD1 3.771 H B 0026 LEU CB
H A 0010 PHE CD1 3.712 H B 0026 LEU CD2
C A 0020 TYR CE2 3.596 C B 0020 TYR CE2
H A 0022 ASP CA 3.782 H B 0010 PHE CZ
H A 0022 ASP C 3.765 H B 0010 PHE CE1
H A 0026 LEU CD2 3.728 H B 0010 PHE CA
H A 0026 LEU CD2 3.736 H B 0010 PHE CD1
H A 0027 GLY CA 3.698 H B 0006 LEU CD2
CHARGE_ATTR 2.00 12.00 13
H A 0003 GLU OE1 10.46 H B 0031 ARG NH2
H A 0003 GLU OE2 11.10 H B 0031 ARG NH1
H A 0003 GLU OE2 9.138 H B 0031 ARG NH2
H A 0005 GLU OE1 11.01 H B 0031 ARG NH1
H A 0005 GLU OE1 8.931 H B 0031 ARG NH2
H A 0005 GLU OE2 11.93 H B 0031 ARG NH1
H A 0005 GLU OE2 10.05 H B 0031 ARG NH2
H A 0024 GLU OE1 11.97 C B 0001 LYS NZ
H A 0031 ARG NH1 11.20 H B 0003 GLU OE1
H A 0031 ARG NH1 9.029 H B 0003 GLU OE2
H A 0031 ARG NH2 10.09 H B 0003 GLU OE1
H A 0031 ARG NH2 8.011 H B 0003 GLU OE2
H A 0031 ARG NH1 11.84 H B 0005 GLU OE2
CHARGE_REPU 2.00 12.00 42
H A 0003 GLU OE2 10.94 H B 0024 GLU OE1
H A 0003 GLU OE2 10.49 H B 0024 GLU OE2
H A 0014 ASP OD1 11.39 C B 0018 ASP OD2
H A 0014 ASP OD2 11.07 C B 0018 ASP OD2
H A 0014 ASP OD1 11.01 H B 0022 ASP OD2
H A 0014 ASP OD2 10.94 H B 0022 ASP OD1
H A 0014 ASP OD2 10.07 H B 0022 ASP OD2
H A 0014 ASP OD2 11.88 H B 0024 GLU OE1
H A 0014 ASP OD2 11.30 H B 0025 GLU OE1
C A 0018 ASP OD2 11.00 H B 0014 ASP OD1
C A 0018 ASP OD2 10.83 H B 0014 ASP OD2
C A 0018 ASP OD1 9.889 C B 0018 ASP OD1
C A 0018 ASP OD1 9.173 C B 0018 ASP OD2
C A 0018 ASP OD2 8.794 C B 0018 ASP OD1
C A 0018 ASP OD2 8.277 C B 0018 ASP OD2
C A 0018 ASP OD1 10.97 H B 0022 ASP OD1
C A 0018 ASP OD1 9.450 H B 0022 ASP OD2
C A 0018 ASP OD2 11.15 H B 0022 ASP OD1
C A 0018 ASP OD2 9.352 H B 0022 ASP OD2
C A 0018 ASP OD1 10.82 H B 0025 GLU OE1
C A 0018 ASP OD2 10.72 H B 0025 GLU OE1
H A 0022 ASP OD1 11.20 H B 0014 ASP OD2
H A 0022 ASP OD2 11.08 H B 0014 ASP OD1
H A 0022 ASP OD2 10.26 H B 0014 ASP OD2
H A 0022 ASP OD1 11.17 C B 0018 ASP OD1
H A 0022 ASP OD1 11.73 C B 0018 ASP OD2
H A 0022 ASP OD2 9.573 C B 0018 ASP OD1
H A 0022 ASP OD2 9.865 C B 0018 ASP OD2
H A 0022 ASP OD2 11.04 H B 0022 ASP OD2
H A 0022 ASP OD2 11.45 H B 0025 GLU OE1
H A 0024 GLU OE1 10.78 H B 0003 GLU OE1
H A 0024 GLU OE1 10.61 H B 0003 GLU OE2
H A 0024 GLU OE2 10.90 H B 0003 GLU OE1
H A 0024 GLU OE2 10.97 H B 0003 GLU OE2
H A 0024 GLU OE1 11.43 H B 0014 ASP OD2
H A 0025 GLU OE1 11.50 H B 0014 ASP OD2
H A 0025 GLU OE1 10.94 C B 0018 ASP OD1
H A 0025 GLU OE1 11.23 C B 0018 ASP OD2
H A 0025 GLU OE1 11.53 H B 0022 ASP OD2
H A 0025 GLU OE1 11.50 H B 0025 GLU OE1
H A 0031 ARG NH1 4.961 C B 0001 LYS NZ
H A 0031 ARG NH2 5.513 C B 0001 LYS NZ
HB_MM 2.00 3.20 2
C A 0021 ILE N 2.847 C B 0021 ILE O
C A 0021 ILE O 2.871 C B 0021 ILE N
AROMATIC 0.00 8.00 1
C A 0020 TYR 4.093 C B 0020 TYR
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 120
C B 0001 LYS CA 3.674 C B 0002 SER CA
C B 0001 LYS C 2.507 C B 0002 SER CA
C B 0001 LYS C 3.161 C B 0002 SER C
C B 0001 LYS C 3.146 C B 0002 SER CB
C B 0001 LYS CG 3.745 H B 0005 GLU CB
C B 0002 SER C 2.551 H B 0003 GLU CA
C B 0002 SER C 3.345 H B 0003 GLU C
C B 0002 SER C 3.310 H B 0003 GLU CB
C B 0002 SER C 3.695 H B 0003 GLU CD
H B 0003 GLU C 2.502 H B 0004 GLU CA
H B 0003 GLU C 3.076 H B 0004 GLU C
H B 0003 GLU C 3.712 H B 0004 GLU CB
H B 0004 GLU C 2.479 H B 0005 GLU CA
H B 0004 GLU C 3.046 H B 0005 GLU C
H B 0004 GLU C 3.747 H B 0005 GLU CB
H B 0005 GLU C 2.470 H B 0006 LEU CA
H B 0005 GLU C 3.131 H B 0006 LEU C
H B 0005 GLU C 3.717 H B 0006 LEU CB
H B 0006 LEU C 2.478 H B 0007 ALA CA
H B 0006 LEU C 3.048 H B 0007 ALA C
H B 0006 LEU C 3.748 H B 0007 ALA CB
H B 0007 ALA C 2.474 H B 0008 ASN CA
H B 0007 ALA C 3.140 H B 0008 ASN C
H B 0007 ALA C 3.703 H B 0008 ASN CB
H B 0008 ASN C 2.466 H B 0009 ALA CA
H B 0008 ASN C 3.089 H B 0009 ALA C
H B 0008 ASN C 3.732 H B 0009 ALA CB
H B 0009 ALA C 2.495 H B 0010 PHE CA
H B 0009 ALA C 3.035 H B 0010 PHE C
H B 0009 ALA C 3.732 H B 0010 PHE CB
H B 0009 ALA C 3.584 H B 0013 PHE CD2
H B 0010 PHE CA 3.782 H B 0011 ARG CA
H B 0010 PHE C 2.473 H B 0011 ARG CA
H B 0010 PHE C 3.165 H B 0011 ARG C
H B 0010 PHE C 3.735 H B 0011 ARG CB
H B 0010 PHE CZ 3.644 C B 0019 GLY C
H B 0010 PHE CD1 3.532 C B 0021 ILE CD1
H B 0010 PHE CE1 3.707 C B 0021 ILE CD1
H B 0011 ARG CA 3.788 H B 0012 ILE CA
H B 0011 ARG C 2.461 H B 0012 ILE CA
H B 0011 ARG C 3.109 H B 0012 ILE C
H B 0011 ARG C 3.754 H B 0012 ILE CB
H B 0012 ILE C 2.499 H B 0013 PHE CA
H B 0012 ILE C 3.283 H B 0013 PHE C
H B 0012 ILE C 3.648 H B 0013 PHE CB
H B 0013 PHE C 2.534 H B 0014 ASP CA
H B 0013 PHE C 3.265 H B 0014 ASP C
H B 0013 PHE C 3.720 H B 0014 ASP CB
H B 0013 PHE CB 3.712 C B 0021 ILE CD1
H B 0013 PHE CG 3.638 H B 0029 ILE CG1
H B 0013 PHE CD2 3.698 H B 0029 ILE CG1
H B 0014 ASP C 2.504 C B 0015 LYS CA
H B 0014 ASP C 3.057 C B 0015 LYS C
H B 0014 ASP C 3.731 C B 0015 LYS CB
C B 0015 LYS C 2.461 C B 0016 ASN CA
C B 0015 LYS C 3.336 C B 0016 ASN C
C B 0015 LYS C 3.651 C B 0016 ASN CB
C B 0015 LYS CE 3.461 H B 0028 GLU CD
C B 0016 ASN C 2.535 C B 0017 ALA CA
C B 0016 ASN C 3.210 C B 0017 ALA C
C B 0016 ASN C 3.217 C B 0017 ALA CB
C B 0017 ALA C 2.482 C B 0018 ASP CA
C B 0017 ALA C 3.387 C B 0018 ASP C
C B 0017 ALA C 3.647 C B 0018 ASP CB
C B 0018 ASP C 2.486 C B 0019 GLY CA
C B 0018 ASP C 3.165 C B 0019 GLY C
C B 0018 ASP CB 3.653 C B 0020 TYR CD2
C B 0018 ASP CG 3.614 C B 0020 TYR CB
C B 0018 ASP CG 3.316 C B 0020 TYR CD2
C B 0019 GLY C 2.490 C B 0020 TYR CA
C B 0019 GLY C 3.675 C B 0020 TYR C
C B 0019 GLY C 3.407 C B 0020 TYR CB
C B 0019 GLY C 3.415 C B 0020 TYR CG
C B 0019 GLY C 3.518 C B 0020 TYR CD1
C B 0020 TYR C 2.495 C B 0021 ILE CA
C B 0020 TYR C 3.527 C B 0021 ILE C
C B 0020 TYR C 3.507 C B 0021 ILE CB
C B 0020 TYR C 3.634 C B 0021 ILE CD1
C B 0021 ILE C 2.496 H B 0022 ASP CA
C B 0021 ILE C 3.529 H B 0022 ASP C
C B 0021 ILE C 3.560 H B 0022 ASP CB
C B 0021 ILE CG2 3.779 H B 0029 ILE CD1
H B 0022 ASP CA 3.798 H B 0023 ILE CA
H B 0022 ASP C 2.474 H B 0023 ILE CA
H B 0022 ASP C 3.121 H B 0023 ILE C
H B 0022 ASP C 3.747 H B 0023 ILE CB
H B 0023 ILE C 2.447 H B 0024 GLU CA
H B 0023 ILE C 3.246 H B 0024 GLU C
H B 0023 ILE C 3.760 H B 0024 GLU CB
H B 0024 GLU CA 3.795 H B 0025 GLU CA
H B 0024 GLU C 2.489 H B 0025 GLU CA
H B 0024 GLU C 3.092 H B 0025 GLU C
H B 0024 GLU C 3.699 H B 0025 GLU CB
H B 0025 GLU C 2.472 H B 0026 LEU CA
H B 0025 GLU C 3.071 H B 0026 LEU C
H B 0025 GLU C 3.750 H B 0026 LEU CB
H B 0026 LEU C 2.486 H B 0027 GLY CA
H B 0026 LEU C 2.983 H B 0027 GLY C
H B 0026 LEU CA 3.775 H B 0029 ILE CD1
H B 0027 GLY C 2.482 H B 0028 GLU CA
H B 0027 GLY C 3.174 H B 0028 GLU C
H B 0027 GLY C 3.734 H B 0028 GLU CB
H B 0028 GLU C 2.485 H B 0029 ILE CA
H B 0028 GLU C 3.149 H B 0029 ILE C
H B 0028 GLU C 3.747 H B 0029 ILE CB
H B 0028 GLU CA 3.663 H B 0031 ARG CG
H B 0029 ILE C 2.480 H B 0030 LEU CA
H B 0029 ILE C 3.230 H B 0030 LEU C
H B 0029 ILE C 3.753 H B 0030 LEU CB
H B 0030 LEU C 2.513 H B 0031 ARG CA
H B 0030 LEU C 3.038 H B 0031 ARG C
H B 0030 LEU C 3.731 H B 0031 ARG CB
H B 0031 ARG C 2.468 C B 0032 ALA CA
H B 0031 ARG C 3.142 C B 0032 ALA C
H B 0031 ARG C 3.734 C B 0032 ALA CB
C B 0032 ALA C 2.489 C B 0033 THR CA
C B 0032 ALA C 3.360 C B 0033 THR C
C B 0032 ALA C 3.639 C B 0033 THR CB
C B 0033 THR C 2.508 C B 0034 GLY CA
C B 0033 THR C 3.153 C B 0034 GLY C
CHARGE_ATTR 2.00 12.00 34
H B 0003 GLU OE1 8.054 C B 0001 LYS NZ
H B 0003 GLU OE2 5.943 C B 0001 LYS NZ
H B 0004 GLU OE1 11.32 C B 0001 LYS NZ
H B 0005 GLU OE1 8.637 C B 0001 LYS NZ
H B 0005 GLU OE2 7.886 C B 0001 LYS NZ
H B 0014 ASP OD1 5.263 H B 0011 ARG NH1
H B 0014 ASP OD1 5.191 H B 0011 ARG NH2
H B 0014 ASP OD2 4.514 H B 0011 ARG NH1
H B 0014 ASP OD2 3.815 H B 0011 ARG NH2
H B 0014 ASP OD1 9.761 C B 0015 LYS NZ
H B 0014 ASP OD2 10.94 C B 0015 LYS NZ
C B 0018 ASP OD1 7.345 H B 0011 ARG NH1
C B 0018 ASP OD1 6.694 H B 0011 ARG NH2
C B 0018 ASP OD2 9.311 H B 0011 ARG NH1
C B 0018 ASP OD2 8.694 H B 0011 ARG NH2
C B 0018 ASP OD1 11.51 C B 0015 LYS NZ
H B 0022 ASP OD2 11.46 H B 0011 ARG NH1
H B 0022 ASP OD2 11.22 H B 0011 ARG NH2
H B 0022 ASP OD1 9.204 C B 0015 LYS NZ
H B 0022 ASP OD2 10.75 C B 0015 LYS NZ
H B 0024 GLU OE1 10.45 C B 0015 LYS NZ
H B 0024 GLU OE2 10.43 C B 0015 LYS NZ
H B 0025 GLU OE1 10.30 H B 0011 ARG NH1
H B 0025 GLU OE1 10.35 H B 0011 ARG NH2
H B 0025 GLU OE2 9.160 H B 0011 ARG NH1
H B 0025 GLU OE2 9.673 H B 0011 ARG NH2
H B 0025 GLU OE1 7.991 C B 0015 LYS NZ
H B 0025 GLU OE2 6.340 C B 0015 LYS NZ
H B 0028 GLU OE1 4.262 C B 0015 LYS NZ
H B 0028 GLU OE2 3.280 C B 0015 LYS NZ
H B 0028 GLU OE1 10.62 H B 0031 ARG NH1
H B 0028 GLU OE1 10.79 H B 0031 ARG NH2
H B 0028 GLU OE2 9.853 H B 0031 ARG NH1
H B 0028 GLU OE2 10.46 H B 0031 ARG NH2
CHARGE_REPU 2.00 12.00 64
H B 0003 GLU OE1 9.604 H B 0004 GLU OE1
H B 0003 GLU OE1 10.52 H B 0004 GLU OE2
H B 0003 GLU OE2 9.866 H B 0004 GLU OE1
H B 0003 GLU OE2 10.98 H B 0004 GLU OE2
H B 0003 GLU OE1 11.82 H B 0005 GLU OE1
H B 0003 GLU OE1 11.80 H B 0005 GLU OE2
H B 0003 GLU OE2 10.85 H B 0005 GLU OE1
H B 0003 GLU OE2 10.57 H B 0005 GLU OE2
H B 0004 GLU OE1 6.347 H B 0005 GLU OE1
H B 0004 GLU OE1 7.370 H B 0005 GLU OE2
H B 0004 GLU OE2 7.184 H B 0005 GLU OE1
H B 0004 GLU OE2 8.689 H B 0005 GLU OE2
H B 0014 ASP OD1 2.777 C B 0018 ASP OD1
H B 0014 ASP OD1 4.824 C B 0018 ASP OD2
H B 0014 ASP OD2 4.021 C B 0018 ASP OD1
H B 0014 ASP OD2 6.248 C B 0018 ASP OD2
H B 0014 ASP OD1 7.261 H B 0022 ASP OD1
H B 0014 ASP OD1 6.348 H B 0022 ASP OD2
H B 0014 ASP OD2 9.089 H B 0022 ASP OD1
H B 0014 ASP OD2 8.070 H B 0022 ASP OD2
H B 0014 ASP OD1 11.33 H B 0024 GLU OE1
H B 0014 ASP OD1 5.201 H B 0025 GLU OE1
H B 0014 ASP OD1 4.656 H B 0025 GLU OE2
H B 0014 ASP OD2 6.792 H B 0025 GLU OE1
H B 0014 ASP OD2 6.451 H B 0025 GLU OE2
H B 0014 ASP OD1 10.79 H B 0028 GLU OE1
H B 0014 ASP OD1 11.88 H B 0028 GLU OE2
C B 0018 ASP OD1 6.323 H B 0022 ASP OD1
C B 0018 ASP OD1 4.682 H B 0022 ASP OD2
C B 0018 ASP OD2 5.506 H B 0022 ASP OD1
C B 0018 ASP OD2 3.448 H B 0022 ASP OD2
C B 0018 ASP OD1 10.43 H B 0024 GLU OE1
C B 0018 ASP OD2 9.321 H B 0024 GLU OE1
C B 0018 ASP OD2 10.95 H B 0024 GLU OE2
C B 0018 ASP OD1 4.987 H B 0025 GLU OE1
C B 0018 ASP OD1 5.447 H B 0025 GLU OE2
C B 0018 ASP OD2 5.196 H B 0025 GLU OE1
C B 0018 ASP OD2 6.091 H B 0025 GLU OE2
C B 0018 ASP OD1 11.61 H B 0028 GLU OE1
C B 0018 ASP OD2 11.85 H B 0028 GLU OE1
H B 0022 ASP OD1 4.144 H B 0024 GLU OE1
H B 0022 ASP OD1 5.828 H B 0024 GLU OE2
H B 0022 ASP OD2 5.939 H B 0024 GLU OE1
H B 0022 ASP OD2 7.719 H B 0024 GLU OE2
H B 0022 ASP OD1 2.745 H B 0025 GLU OE1
H B 0022 ASP OD1 4.064 H B 0025 GLU OE2
H B 0022 ASP OD2 3.216 H B 0025 GLU OE1
H B 0022 ASP OD2 4.765 H B 0025 GLU OE2
H B 0022 ASP OD1 7.148 H B 0028 GLU OE1
H B 0022 ASP OD1 9.200 H B 0028 GLU OE2
H B 0022 ASP OD2 9.200 H B 0028 GLU OE1
H B 0022 ASP OD2 11.17 H B 0028 GLU OE2
H B 0024 GLU OE1 6.499 H B 0025 GLU OE1
H B 0024 GLU OE1 7.460 H B 0025 GLU OE2
H B 0024 GLU OE2 8.073 H B 0025 GLU OE1
H B 0024 GLU OE2 8.536 H B 0025 GLU OE2
H B 0024 GLU OE1 6.992 H B 0028 GLU OE1
H B 0024 GLU OE1 9.129 H B 0028 GLU OE2
H B 0024 GLU OE2 6.927 H B 0028 GLU OE1
H B 0024 GLU OE2 8.796 H B 0028 GLU OE2
H B 0025 GLU OE1 6.923 H B 0028 GLU OE1
H B 0025 GLU OE1 8.690 H B 0028 GLU OE2
H B 0025 GLU OE2 6.290 H B 0028 GLU OE1
H B 0025 GLU OE2 7.666 H B 0028 GLU OE2
HB_MM 2.00 3.20 64
C B 0002 SER N 2.256 C B 0001 LYS O
H B 0003 GLU N 2.261 C B 0002 SER O
H B 0004 GLU N 2.654 C B 0002 SER O
H B 0004 GLU N 2.245 H B 0003 GLU O
H B 0005 GLU N 2.254 H B 0004 GLU O
H B 0006 LEU N 3.068 H B 0003 GLU O
H B 0006 LEU N 2.254 H B 0005 GLU O
H B 0007 ALA N 2.804 H B 0003 GLU O
H B 0007 ALA N 2.253 H B 0006 LEU O
H B 0008 ASN N 3.108 H B 0004 GLU O
H B 0008 ASN N 2.250 H B 0007 ALA O
H B 0009 ALA N 2.957 H B 0005 GLU O
H B 0009 ALA N 3.174 H B 0006 LEU O
H B 0009 ALA N 2.254 H B 0008 ASN O
H B 0010 PHE N 2.772 H B 0006 LEU O
H B 0010 PHE N 2.255 H B 0009 ALA O
H B 0011 ARG N 3.019 H B 0007 ALA O
H B 0011 ARG N 3.077 H B 0008 ASN O
H B 0011 ARG N 2.253 H B 0010 PHE O
H B 0012 ILE N 2.912 H B 0008 ASN O
H B 0012 ILE N 3.059 H B 0009 ALA O
H B 0012 ILE N 2.257 H B 0011 ARG O
H B 0013 PHE N 3.134 H B 0009 ALA O
H B 0013 PHE N 3.122 H B 0010 PHE O
H B 0013 PHE N 2.260 H B 0012 ILE O
H B 0014 ASP N 2.734 H B 0010 PHE O
H B 0014 ASP N 2.255 H B 0013 PHE O
C B 0015 LYS N 2.915 H B 0013 PHE O
C B 0015 LYS N 2.256 H B 0014 ASP O
C B 0016 ASN N 2.256 C B 0015 LYS O
C B 0017 ALA N 2.933 H B 0014 ASP O
C B 0017 ALA N 2.262 C B 0016 ASN O
C B 0018 ASP N 2.943 C B 0016 ASN O
C B 0018 ASP N 2.235 C B 0017 ALA O
C B 0019 GLY N 2.262 C B 0018 ASP O
C B 0020 TYR N 2.260 C B 0019 GLY O
C B 0021 ILE N 2.256 C B 0020 TYR O
H B 0022 ASP N 2.257 C B 0021 ILE O
H B 0023 ILE N 2.248 H B 0022 ASP O
H B 0024 GLU N 3.112 H B 0022 ASP O
H B 0024 GLU N 2.250 H B 0023 ILE O
H B 0025 GLU N 2.994 H B 0022 ASP O
H B 0025 GLU N 2.259 H B 0024 GLU O
H B 0026 LEU N 2.716 H B 0022 ASP O
H B 0026 LEU N 2.267 H B 0025 GLU O
H B 0027 GLY N 2.849 H B 0023 ILE O
H B 0027 GLY N 2.261 H B 0026 LEU O
H B 0028 GLU N 2.811 H B 0024 GLU O
H B 0028 GLU N 3.143 H B 0025 GLU O
H B 0028 GLU N 2.248 H B 0027 GLY O
H B 0029 ILE N 2.956 H B 0025 GLU O
H B 0029 ILE N 3.123 H B 0026 LEU O
H B 0029 ILE N 2.258 H B 0028 GLU O
H B 0030 LEU N 2.747 H B 0026 LEU O
H B 0030 LEU N 3.198 H B 0027 GLY O
H B 0030 LEU N 2.260 H B 0029 ILE O
H B 0031 ARG N 2.772 H B 0027 GLY O
H B 0031 ARG N 3.011 H B 0029 ILE O
H B 0031 ARG N 2.273 H B 0030 LEU O
C B 0032 ALA N 2.254 H B 0031 ARG O
C B 0033 THR N 3.172 H B 0030 LEU O
C B 0033 THR N 2.247 C B 0032 ALA O
C B 0034 GLY N 3.060 C B 0032 ALA O
C B 0034 GLY N 2.261 C B 0033 THR O
HB_MS 2.00 3.20 8
H B 0004 GLU O 2.769 H B 0008 ASN ND2
C B 0015 LYS N 2.912 H B 0025 GLU OE2
C B 0017 ALA N 3.178 H B 0014 ASP OD1
C B 0018 ASP N 3.007 H B 0014 ASP OD1
C B 0019 GLY N 3.085 H B 0014 ASP OD2
C B 0020 TYR N 2.863 C B 0018 ASP OD1
H B 0022 ASP N 2.831 H B 0025 GLU OE1
H B 0030 LEU O 2.770 C B 0033 THR OG1
HB_SS 2.00 3.20 1
C B 0018 ASP OD2 3.059 C B 0016 ASN ND2
AROMATIC 0.00 8.00 1
C B 0015 LYS 7.267 H B 0013 PHE