Complet list of 1wje con file
Complete list of 1wje.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 167
C A 0001 PHE C 2.444 C A 0002 LEU CA
C A 0001 PHE C 3.390 C A 0002 LEU C
C A 0001 PHE C 3.586 C A 0002 LEU CB
C A 0001 PHE C 3.709 C A 0002 LEU CG
C A 0001 PHE CA 3.761 H A 0005 ILE CD1
C A 0001 PHE C 3.780 H A 0005 ILE CD1
C A 0002 LEU C 2.412 H A 0003 ASP CA
C A 0002 LEU C 2.920 H A 0003 ASP C
C A 0002 LEU C 3.693 H A 0003 ASP CB
C A 0002 LEU C 3.788 H A 0005 ILE CG1
H A 0003 ASP C 2.431 H A 0004 GLY CA
H A 0003 ASP C 2.859 H A 0004 GLY C
H A 0004 GLY C 2.423 H A 0005 ILE CA
H A 0004 GLY C 2.943 H A 0005 ILE C
H A 0004 GLY C 3.698 H A 0005 ILE CB
H A 0005 ILE C 2.427 H A 0006 ASP CA
H A 0005 ILE C 2.931 H A 0006 ASP C
H A 0005 ILE C 3.710 H A 0006 ASP CB
H A 0005 ILE CG1 3.768 H A 0032 VAL CG1
H A 0005 ILE CD1 3.610 H A 0032 VAL CG1
H A 0006 ASP C 2.434 H A 0007 LYS CA
H A 0006 ASP C 3.005 H A 0007 LYS C
H A 0006 ASP C 3.657 H A 0007 LYS CB
H A 0007 LYS C 2.432 H A 0008 ALA CA
H A 0007 LYS C 3.003 H A 0008 ALA C
H A 0007 LYS C 3.695 H A 0008 ALA CB
H A 0008 ALA C 2.419 H A 0009 GLN CA
H A 0008 ALA C 2.944 H A 0009 GLN C
H A 0008 ALA C 3.697 H A 0009 GLN CB
H A 0008 ALA CB 3.748 H A 0036 ILE CD1
H A 0009 GLN C 2.427 H A 0010 GLU CA
H A 0009 GLN C 2.995 H A 0010 GLU C
H A 0009 GLN C 3.702 H A 0010 GLU CB
H A 0010 GLU C 2.432 H A 0011 GLU CA
H A 0010 GLU C 3.298 H A 0011 GLU C
H A 0010 GLU C 3.609 H A 0011 GLU CB
H A 0010 GLU C 3.793 H A 0011 GLU CG
H A 0011 GLU C 2.421 H A 0012 CYS CA
H A 0011 GLU C 2.864 H A 0012 CYS C
H A 0011 GLU C 3.693 H A 0012 CYS CB
H A 0012 CYS C 2.430 H A 0013 GLU CA
H A 0012 CYS C 2.959 H A 0013 GLU C
H A 0012 CYS C 3.716 H A 0013 GLU CB
H A 0013 GLU C 2.423 H A 0014 LYS CA
H A 0013 GLU C 3.023 H A 0014 LYS C
H A 0013 GLU C 3.682 H A 0014 LYS CB
H A 0013 GLU C 3.786 C A 0016 HIS CE1
H A 0014 LYS C 2.422 H A 0015 TYR CA
H A 0014 LYS C 3.187 H A 0015 TYR C
H A 0014 LYS C 3.647 H A 0015 TYR CB
H A 0014 LYS CA 3.763 C A 0016 HIS CE1
H A 0014 LYS C 3.403 C A 0016 HIS CE1
H A 0015 TYR C 2.433 C A 0016 HIS CA
H A 0015 TYR C 2.964 C A 0016 HIS C
H A 0015 TYR C 3.014 C A 0016 HIS CB
H A 0015 TYR C 3.421 C A 0016 HIS CG
C A 0016 HIS C 2.434 C A 0017 SER CA
C A 0016 HIS C 3.196 C A 0017 SER C
C A 0016 HIS C 3.655 C A 0017 SER CB
C A 0017 SER C 2.420 C A 0018 ASN CA
C A 0017 SER C 3.139 C A 0018 ASN C
C A 0017 SER C 3.668 C A 0018 ASN CB
C A 0018 ASN C 2.419 H A 0019 TRP CA
C A 0018 ASN C 3.043 H A 0019 TRP C
C A 0018 ASN C 3.687 H A 0019 TRP CB
H A 0019 TRP C 2.423 H A 0020 ARG CA
H A 0019 TRP C 2.976 H A 0020 ARG C
H A 0019 TRP C 3.692 H A 0020 ARG CB
H A 0019 TRP CD2 3.659 H A 0020 ARG CG
H A 0019 TRP CE2 3.463 H A 0020 ARG CG
H A 0019 TRP CE3 3.576 H A 0020 ARG CA
H A 0019 TRP CE3 3.735 H A 0020 ARG CG
H A 0019 TRP CZ2 3.371 H A 0020 ARG CG
H A 0019 TRP CZ3 3.641 H A 0020 ARG CG
H A 0019 TRP CH2 3.461 H A 0020 ARG CG
H A 0019 TRP CZ3 3.732 H A 0030 PRO CB
H A 0019 TRP CE3 3.745 H A 0033 ALA CB
H A 0020 ARG C 2.413 H A 0021 ALA CA
H A 0020 ARG C 2.991 H A 0021 ALA C
H A 0020 ARG C 3.684 H A 0021 ALA CB
H A 0021 ALA C 2.424 H A 0022 MET CA
H A 0021 ALA C 2.977 H A 0022 MET C
H A 0021 ALA C 3.692 H A 0022 MET CB
H A 0022 MET C 2.423 H A 0023 ALA CA
H A 0022 MET C 2.928 H A 0023 ALA C
H A 0022 MET C 3.691 H A 0023 ALA CB
H A 0022 MET CG 3.782 H A 0026 PHE CD1
H A 0023 ALA C 2.431 H A 0024 SER CA
H A 0023 ALA C 3.038 H A 0024 SER C
H A 0023 ALA C 3.699 H A 0024 SER CB
H A 0024 SER C 2.422 H A 0025 ASP CA
H A 0024 SER C 3.059 H A 0025 ASP C
H A 0024 SER C 3.703 H A 0025 ASP CB
H A 0025 ASP C 2.424 H A 0026 PHE CA
H A 0025 ASP C 3.278 H A 0026 PHE C
H A 0025 ASP C 3.611 H A 0026 PHE CB
H A 0026 PHE C 2.430 C A 0027 ASN CA
H A 0026 PHE C 2.947 C A 0027 ASN C
H A 0026 PHE C 3.031 C A 0027 ASN CB
H A 0026 PHE C 3.592 C A 0027 ASN CG
C A 0027 ASN C 2.450 C A 0028 LEU CA
C A 0027 ASN C 3.440 C A 0028 LEU C
C A 0027 ASN C 3.563 C A 0028 LEU CB
C A 0028 LEU CA 2.923 C A 0029 PRO CD
C A 0028 LEU C 2.451 C A 0029 PRO CA
C A 0028 LEU C 3.122 C A 0029 PRO C
C A 0028 LEU C 3.646 C A 0029 PRO CB
C A 0028 LEU C 3.656 C A 0029 PRO CG
C A 0028 LEU C 2.492 C A 0029 PRO CD
C A 0028 LEU CB 3.521 C A 0029 PRO CD
C A 0028 LEU CD1 3.697 H A 0032 VAL CG1
C A 0029 PRO CA 2.910 H A 0030 PRO CD
C A 0029 PRO C 2.459 H A 0030 PRO CA
C A 0029 PRO C 2.973 H A 0030 PRO C
C A 0029 PRO C 3.634 H A 0030 PRO CB
C A 0029 PRO C 3.671 H A 0030 PRO CG
C A 0029 PRO C 2.483 H A 0030 PRO CD
C A 0029 PRO CB 3.545 H A 0030 PRO CD
H A 0030 PRO C 2.420 H A 0031 VAL CA
H A 0030 PRO C 2.970 H A 0031 VAL C
H A 0030 PRO C 3.714 H A 0031 VAL CB
H A 0031 VAL C 2.410 H A 0032 VAL CA
H A 0031 VAL C 3.102 H A 0032 VAL C
H A 0031 VAL C 3.670 H A 0032 VAL CB
H A 0032 VAL C 2.404 H A 0033 ALA CA
H A 0032 VAL C 2.929 H A 0033 ALA C
H A 0032 VAL C 3.676 H A 0033 ALA CB
H A 0033 ALA C 2.412 H A 0034 LYS CA
H A 0033 ALA C 2.963 H A 0034 LYS C
H A 0033 ALA C 3.689 H A 0034 LYS CB
H A 0034 LYS C 2.417 H A 0035 GLU CA
H A 0034 LYS C 2.958 H A 0035 GLU C
H A 0034 LYS C 3.696 H A 0035 GLU CB
H A 0035 GLU C 2.422 H A 0036 ILE CA
H A 0035 GLU C 2.966 H A 0036 ILE C
H A 0035 GLU C 3.691 H A 0036 ILE CB
H A 0036 ILE C 2.424 H A 0037 VAL CA
H A 0036 ILE C 2.982 H A 0037 VAL C
H A 0036 ILE C 3.694 H A 0037 VAL CB
H A 0037 VAL C 2.427 H A 0038 ALA CA
H A 0037 VAL C 3.016 H A 0038 ALA C
H A 0037 VAL C 3.668 H A 0038 ALA CB
H A 0037 VAL CG1 3.681 H A 0043 CYS CB
H A 0038 ALA C 2.422 H A 0039 SER CA
H A 0038 ALA C 3.252 H A 0039 SER C
H A 0038 ALA C 3.609 H A 0039 SER CB
H A 0039 SER C 2.413 C A 0040 CYS CA
H A 0039 SER C 2.913 C A 0040 CYS C
H A 0039 SER C 3.686 C A 0040 CYS CB
C A 0040 CYS C 2.415 H A 0041 ASP CA
C A 0040 CYS C 3.133 H A 0041 ASP C
C A 0040 CYS C 3.665 H A 0041 ASP CB
H A 0041 ASP C 2.416 H A 0042 LYS CA
H A 0041 ASP C 3.124 H A 0042 LYS C
H A 0041 ASP C 3.665 H A 0042 LYS CB
H A 0042 LYS C 2.419 H A 0043 CYS CA
H A 0042 LYS C 3.136 H A 0043 CYS C
H A 0042 LYS C 3.666 H A 0043 CYS CB
H A 0043 CYS C 2.427 H A 0044 GLN CA
H A 0043 CYS C 3.064 H A 0044 GLN C
H A 0043 CYS C 3.695 H A 0044 GLN CB
H A 0044 GLN C 2.417 C A 0045 LEU CA
H A 0044 GLN C 3.139 C A 0045 LEU C
H A 0044 GLN C 3.661 C A 0045 LEU CB
C A 0045 LEU C 2.418 C A 0046 LYS CA
C A 0045 LEU C 3.086 C A 0046 LYS C
C A 0045 LEU C 3.680 C A 0046 LYS CB
CHARGE_ATTR 2.00 12.00 24
H A 0006 ASP OD1 11.10 H A 0007 LYS NZ
H A 0006 ASP OD2 10.44 H A 0007 LYS NZ
H A 0010 GLU OE1 5.677 H A 0007 LYS NZ
H A 0010 GLU OE2 6.939 H A 0007 LYS NZ
H A 0011 GLU OE1 6.584 H A 0007 LYS NZ
H A 0011 GLU OE2 4.684 H A 0007 LYS NZ
H A 0011 GLU OE1 5.542 H A 0014 LYS NZ
H A 0011 GLU OE2 6.863 H A 0014 LYS NZ
H A 0011 GLU OE1 9.864 C A 0016 HIS ND1
H A 0011 GLU OE1 11.28 C A 0016 HIS NE2
H A 0011 GLU OE2 11.57 C A 0016 HIS ND1
H A 0013 GLU OE1 11.12 H A 0014 LYS NZ
H A 0013 GLU OE1 7.752 C A 0016 HIS ND1
H A 0013 GLU OE1 8.385 C A 0016 HIS NE2
H A 0013 GLU OE2 8.115 C A 0016 HIS ND1
H A 0013 GLU OE2 8.620 C A 0016 HIS NE2
H A 0013 GLU OE1 6.561 H A 0042 LYS NZ
H A 0013 GLU OE2 4.491 H A 0042 LYS NZ
H A 0025 ASP OD2 11.06 H A 0007 LYS NZ
H A 0025 ASP OD1 8.972 H A 0014 LYS NZ
H A 0025 ASP OD2 7.250 H A 0014 LYS NZ
H A 0025 ASP OD2 11.06 C A 0016 HIS ND1
H A 0041 ASP OD1 9.991 H A 0042 LYS NZ
H A 0041 ASP OD2 8.982 H A 0042 LYS NZ
CHARGE_REPU 2.00 12.00 39
H A 0003 ASP OD1 6.651 H A 0006 ASP OD1
H A 0003 ASP OD1 6.900 H A 0006 ASP OD2
H A 0003 ASP OD2 8.462 H A 0006 ASP OD1
H A 0003 ASP OD2 8.396 H A 0006 ASP OD2
H A 0003 ASP OD1 11.96 H A 0035 GLU OE1
H A 0006 ASP OD1 8.652 H A 0010 GLU OE1
H A 0006 ASP OD1 10.46 H A 0010 GLU OE2
H A 0006 ASP OD2 7.651 H A 0010 GLU OE1
H A 0006 ASP OD2 9.376 H A 0010 GLU OE2
H A 0006 ASP OD1 8.323 H A 0035 GLU OE1
H A 0006 ASP OD1 8.760 H A 0035 GLU OE2
H A 0006 ASP OD2 10.43 H A 0035 GLU OE1
H A 0006 ASP OD2 10.79 H A 0035 GLU OE2
H A 0007 LYS NZ 11.28 H A 0014 LYS NZ
H A 0010 GLU OE1 8.239 H A 0011 GLU OE1
H A 0010 GLU OE1 6.668 H A 0011 GLU OE2
H A 0010 GLU OE2 8.784 H A 0011 GLU OE1
H A 0010 GLU OE2 7.222 H A 0011 GLU OE2
H A 0010 GLU OE1 10.62 H A 0013 GLU OE1
H A 0010 GLU OE2 9.588 H A 0013 GLU OE1
H A 0010 GLU OE2 11.35 H A 0013 GLU OE2
H A 0011 GLU OE1 10.46 H A 0013 GLU OE1
H A 0011 GLU OE2 10.85 H A 0013 GLU OE1
H A 0011 GLU OE1 8.233 H A 0025 ASP OD1
H A 0011 GLU OE1 6.262 H A 0025 ASP OD2
H A 0011 GLU OE2 9.782 H A 0025 ASP OD1
H A 0011 GLU OE2 7.993 H A 0025 ASP OD2
H A 0013 GLU OE2 11.80 H A 0041 ASP OD1
H A 0013 GLU OE2 11.19 H A 0041 ASP OD2
H A 0014 LYS NZ 8.408 C A 0016 HIS ND1
H A 0014 LYS NZ 8.815 C A 0016 HIS NE2
C A 0016 HIS ND1 11.38 H A 0042 LYS NZ
C A 0016 HIS NE2 11.68 H A 0042 LYS NZ
H A 0020 ARG NH1 9.017 H A 0034 LYS NZ
H A 0020 ARG NH2 7.092 H A 0034 LYS NZ
H A 0034 LYS NZ 11.42 C A 0046 LYS NZ
H A 0035 GLU OE1 11.39 H A 0041 ASP OD1
H A 0035 GLU OE2 10.25 H A 0041 ASP OD1
H A 0035 GLU OE2 11.88 H A 0041 ASP OD2
HB_MM 2.00 3.20 93
C A 0002 LEU N 2.204 C A 0001 PHE O
H A 0003 ASP N 2.184 C A 0002 LEU O
H A 0004 GLY N 3.188 C A 0002 LEU O
H A 0004 GLY N 2.201 H A 0003 ASP O
H A 0005 ILE N 2.855 C A 0002 LEU O
H A 0005 ILE N 2.423 H A 0003 ASP O
H A 0005 ILE N 2.190 H A 0004 GLY O
H A 0006 ASP N 2.655 H A 0003 ASP O
H A 0006 ASP N 2.194 H A 0005 ILE O
H A 0007 LYS N 2.936 H A 0004 GLY O
H A 0007 LYS N 3.176 H A 0005 ILE O
H A 0007 LYS N 2.199 H A 0006 ASP O
H A 0008 ALA N 3.016 H A 0004 GLY O
H A 0008 ALA N 3.002 H A 0005 ILE O
H A 0008 ALA N 2.200 H A 0007 LYS O
H A 0009 GLN N 3.182 H A 0006 ASP O
H A 0009 GLN N 2.193 H A 0008 ALA O
H A 0010 GLU N 3.108 H A 0007 LYS O
H A 0010 GLU N 2.198 H A 0009 GLN O
H A 0011 GLU N 3.084 H A 0008 ALA O
H A 0011 GLU N 2.197 H A 0010 GLU O
H A 0012 CYS N 2.741 H A 0008 ALA O
H A 0012 CYS N 3.124 H A 0009 GLN O
H A 0012 CYS N 2.195 H A 0011 GLU O
H A 0013 GLU N 2.989 H A 0011 GLU O
H A 0013 GLU N 2.202 H A 0012 CYS O
H A 0014 LYS N 2.631 H A 0011 GLU O
H A 0014 LYS N 3.175 H A 0012 CYS O
H A 0014 LYS N 2.190 H A 0013 GLU O
H A 0015 TYR N 3.140 H A 0011 GLU O
H A 0015 TYR N 3.127 H A 0012 CYS O
H A 0015 TYR N 2.194 H A 0014 LYS O
C A 0016 HIS N 2.882 H A 0012 CYS O
C A 0016 HIS N 3.193 H A 0013 GLU O
C A 0016 HIS N 2.199 H A 0015 TYR O
C A 0017 SER N 2.202 C A 0016 HIS O
C A 0018 ASN N 2.927 H A 0015 TYR O
C A 0018 ASN N 2.194 C A 0017 SER O
H A 0019 TRP N 2.843 C A 0017 SER O
H A 0019 TRP N 2.196 C A 0018 ASN O
H A 0020 ARG N 2.197 H A 0019 TRP O
H A 0021 ALA N 2.193 H A 0020 ARG O
H A 0022 MET N 3.142 H A 0019 TRP O
H A 0022 MET N 2.197 H A 0021 ALA O
H A 0023 ALA N 2.872 H A 0019 TRP O
H A 0023 ALA N 2.193 H A 0022 MET O
H A 0024 SER N 3.059 H A 0020 ARG O
H A 0024 SER N 3.109 H A 0021 ALA O
H A 0024 SER N 3.151 H A 0022 MET O
H A 0024 SER N 2.200 H A 0023 ALA O
H A 0025 ASP N 3.009 H A 0021 ALA O
H A 0025 ASP N 3.005 H A 0022 MET O
H A 0025 ASP N 2.195 H A 0024 SER O
H A 0026 PHE N 2.975 H A 0022 MET O
H A 0026 PHE N 2.193 H A 0025 ASP O
C A 0027 ASN N 2.522 H A 0023 ALA O
C A 0027 ASN N 2.197 H A 0026 PHE O
C A 0028 LEU N 3.033 H A 0023 ALA O
C A 0028 LEU N 2.204 C A 0027 ASN O
C A 0029 PRO N 2.204 C A 0028 LEU O
H A 0030 PRO N 2.204 C A 0029 PRO O
H A 0031 VAL N 2.631 C A 0029 PRO O
H A 0031 VAL N 2.193 H A 0030 PRO O
H A 0032 VAL N 3.035 C A 0029 PRO O
H A 0032 VAL N 2.188 H A 0031 VAL O
H A 0033 ALA N 2.186 H A 0032 VAL O
H A 0034 LYS N 2.895 H A 0030 PRO O
H A 0034 LYS N 2.192 H A 0033 ALA O
H A 0035 GLU N 3.085 H A 0031 VAL O
H A 0035 GLU N 3.119 H A 0032 VAL O
H A 0035 GLU N 2.196 H A 0034 LYS O
H A 0036 ILE N 2.912 H A 0032 VAL O
H A 0036 ILE N 3.132 H A 0033 ALA O
H A 0036 ILE N 2.196 H A 0035 GLU O
H A 0037 VAL N 3.079 H A 0034 LYS O
H A 0037 VAL N 2.198 H A 0036 ILE O
H A 0038 ALA N 2.818 H A 0034 LYS O
H A 0038 ALA N 3.078 H A 0035 GLU O
H A 0038 ALA N 2.199 H A 0037 VAL O
H A 0039 SER N 3.104 H A 0035 GLU O
H A 0039 SER N 3.057 H A 0036 ILE O
H A 0039 SER N 2.978 H A 0037 VAL O
H A 0039 SER N 2.187 H A 0038 ALA O
C A 0040 CYS N 3.115 H A 0036 ILE O
C A 0040 CYS N 3.172 H A 0037 VAL O
C A 0040 CYS N 2.196 H A 0039 SER O
H A 0041 ASP N 3.175 H A 0039 SER O
H A 0041 ASP N 2.186 C A 0040 CYS O
H A 0042 LYS N 2.190 H A 0041 ASP O
H A 0043 CYS N 2.193 H A 0042 LYS O
H A 0044 GLN N 2.199 H A 0043 CYS O
C A 0045 LEU N 2.196 H A 0044 GLN O
C A 0046 LYS N 2.195 C A 0045 LEU O
HB_MS 2.00 3.20 5
H A 0013 GLU O 2.336 C A 0016 HIS ND1
H A 0014 LYS O 2.751 C A 0016 HIS ND1
H A 0024 SER O 2.782 C A 0027 ASN ND2
H A 0036 ILE N 2.892 H A 0035 GLU OE1
H A 0038 ALA O 2.321 H A 0044 GLN NE2
HB_SS 2.00 3.20 2
H A 0025 ASP OD2 2.631 H A 0015 TYR OH
H A 0035 GLU OE2 2.850 H A 0039 SER OG
AROMATIC 0.00 8.00 3
H A 0007 LYS 7.968 H A 0026 PHE
H A 0020 ARG 5.686 H A 0019 TRP
H A 0034 LYS 5.265 H A 0019 TRP
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 5
C A 0001 PHE CE1 3.389 C B 0001 PHE CE1
C A 0001 PHE CE1 3.710 H B 0032 VAL CG2
H A 0032 VAL CG2 3.738 C B 0001 PHE CE1
H A 0038 ALA CB 3.363 H B 0038 ALA CB
C A 0045 LEU CD2 3.672 C B 0045 LEU CD2
CHARGE_ATTR 2.00 12.00 14
H A 0006 ASP OD1 10.76 H B 0034 LYS NZ
H A 0034 LYS NZ 10.89 H B 0006 ASP OD1
H A 0034 LYS NZ 8.018 H B 0035 GLU OE1
H A 0034 LYS NZ 5.925 H B 0035 GLU OE2
H A 0034 LYS NZ 9.779 H B 0041 ASP OD1
H A 0034 LYS NZ 11.00 H B 0041 ASP OD2
H A 0035 GLU OE1 7.944 H B 0034 LYS NZ
H A 0035 GLU OE2 5.856 H B 0034 LYS NZ
H A 0041 ASP OD1 9.714 H B 0034 LYS NZ
H A 0041 ASP OD2 10.92 H B 0034 LYS NZ
H A 0041 ASP OD1 9.096 C B 0046 LYS NZ
H A 0041 ASP OD2 10.02 C B 0046 LYS NZ
C A 0046 LYS NZ 9.207 H B 0041 ASP OD1
C A 0046 LYS NZ 10.15 H B 0041 ASP OD2
CHARGE_REPU 2.00 12.00 4
H A 0035 GLU OE1 9.238 H B 0035 GLU OE1
H A 0035 GLU OE1 9.265 H B 0035 GLU OE2
H A 0035 GLU OE2 9.253 H B 0035 GLU OE1
H A 0035 GLU OE2 9.537 H B 0035 GLU OE2
HB_SS 2.00 3.20 1
H A 0044 GLN OE1 2.719 H B 0044 GLN NE2
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 167
C B 0001 PHE C 2.444 C B 0002 LEU CA
C B 0001 PHE C 3.390 C B 0002 LEU C
C B 0001 PHE C 3.587 C B 0002 LEU CB
C B 0001 PHE C 3.710 C B 0002 LEU CG
C B 0001 PHE CA 3.761 H B 0005 ILE CD1
C B 0001 PHE C 3.780 H B 0005 ILE CD1
C B 0002 LEU C 2.412 H B 0003 ASP CA
C B 0002 LEU C 2.920 H B 0003 ASP C
C B 0002 LEU C 3.694 H B 0003 ASP CB
C B 0002 LEU C 3.788 H B 0005 ILE CG1
H B 0003 ASP C 2.430 H B 0004 GLY CA
H B 0003 ASP C 2.859 H B 0004 GLY C
H B 0004 GLY C 2.423 H B 0005 ILE CA
H B 0004 GLY C 2.942 H B 0005 ILE C
H B 0004 GLY C 3.698 H B 0005 ILE CB
H B 0005 ILE C 2.427 H B 0006 ASP CA
H B 0005 ILE C 2.931 H B 0006 ASP C
H B 0005 ILE C 3.709 H B 0006 ASP CB
H B 0005 ILE CG1 3.768 H B 0032 VAL CG1
H B 0005 ILE CD1 3.610 H B 0032 VAL CG1
H B 0006 ASP C 2.433 H B 0007 LYS CA
H B 0006 ASP C 3.005 H B 0007 LYS C
H B 0006 ASP C 3.658 H B 0007 LYS CB
H B 0007 LYS C 2.432 H B 0008 ALA CA
H B 0007 LYS C 3.004 H B 0008 ALA C
H B 0007 LYS C 3.694 H B 0008 ALA CB
H B 0008 ALA C 2.419 H B 0009 GLN CA
H B 0008 ALA C 2.944 H B 0009 GLN C
H B 0008 ALA C 3.697 H B 0009 GLN CB
H B 0008 ALA CB 3.748 H B 0036 ILE CD1
H B 0009 GLN C 2.427 H B 0010 GLU CA
H B 0009 GLN C 2.994 H B 0010 GLU C
H B 0009 GLN C 3.702 H B 0010 GLU CB
H B 0010 GLU C 2.432 H B 0011 GLU CA
H B 0010 GLU C 3.298 H B 0011 GLU C
H B 0010 GLU C 3.610 H B 0011 GLU CB
H B 0010 GLU C 3.794 H B 0011 GLU CG
H B 0011 GLU C 2.420 H B 0012 CYS CA
H B 0011 GLU C 2.863 H B 0012 CYS C
H B 0011 GLU C 3.691 H B 0012 CYS CB
H B 0012 CYS C 2.431 H B 0013 GLU CA
H B 0012 CYS C 2.959 H B 0013 GLU C
H B 0012 CYS C 3.716 H B 0013 GLU CB
H B 0013 GLU C 2.422 H B 0014 LYS CA
H B 0013 GLU C 3.022 H B 0014 LYS C
H B 0013 GLU C 3.681 H B 0014 LYS CB
H B 0013 GLU C 3.785 C B 0016 HIS CE1
H B 0014 LYS C 2.423 H B 0015 TYR CA
H B 0014 LYS C 3.187 H B 0015 TYR C
H B 0014 LYS C 3.647 H B 0015 TYR CB
H B 0014 LYS CA 3.763 C B 0016 HIS CE1
H B 0014 LYS C 3.403 C B 0016 HIS CE1
H B 0015 TYR C 2.433 C B 0016 HIS CA
H B 0015 TYR C 2.964 C B 0016 HIS C
H B 0015 TYR C 3.014 C B 0016 HIS CB
H B 0015 TYR C 3.420 C B 0016 HIS CG
C B 0016 HIS C 2.434 C B 0017 SER CA
C B 0016 HIS C 3.195 C B 0017 SER C
C B 0016 HIS C 3.656 C B 0017 SER CB
C B 0017 SER C 2.420 C B 0018 ASN CA
C B 0017 SER C 3.139 C B 0018 ASN C
C B 0017 SER C 3.668 C B 0018 ASN CB
C B 0018 ASN C 2.419 H B 0019 TRP CA
C B 0018 ASN C 3.044 H B 0019 TRP C
C B 0018 ASN C 3.687 H B 0019 TRP CB
H B 0019 TRP C 2.423 H B 0020 ARG CA
H B 0019 TRP C 2.976 H B 0020 ARG C
H B 0019 TRP C 3.692 H B 0020 ARG CB
H B 0019 TRP CD2 3.658 H B 0020 ARG CG
H B 0019 TRP CE2 3.463 H B 0020 ARG CG
H B 0019 TRP CE3 3.577 H B 0020 ARG CA
H B 0019 TRP CE3 3.735 H B 0020 ARG CG
H B 0019 TRP CZ2 3.371 H B 0020 ARG CG
H B 0019 TRP CZ3 3.641 H B 0020 ARG CG
H B 0019 TRP CH2 3.461 H B 0020 ARG CG
H B 0019 TRP CZ3 3.732 H B 0030 PRO CB
H B 0019 TRP CE3 3.745 H B 0033 ALA CB
H B 0020 ARG C 2.414 H B 0021 ALA CA
H B 0020 ARG C 2.991 H B 0021 ALA C
H B 0020 ARG C 3.685 H B 0021 ALA CB
H B 0021 ALA C 2.424 H B 0022 MET CA
H B 0021 ALA C 2.978 H B 0022 MET C
H B 0021 ALA C 3.693 H B 0022 MET CB
H B 0022 MET C 2.422 H B 0023 ALA CA
H B 0022 MET C 2.929 H B 0023 ALA C
H B 0022 MET C 3.693 H B 0023 ALA CB
H B 0022 MET CG 3.781 H B 0026 PHE CD1
H B 0023 ALA C 2.430 H B 0024 SER CA
H B 0023 ALA C 3.038 H B 0024 SER C
H B 0023 ALA C 3.699 H B 0024 SER CB
H B 0024 SER C 2.423 H B 0025 ASP CA
H B 0024 SER C 3.059 H B 0025 ASP C
H B 0024 SER C 3.703 H B 0025 ASP CB
H B 0025 ASP C 2.425 H B 0026 PHE CA
H B 0025 ASP C 3.279 H B 0026 PHE C
H B 0025 ASP C 3.611 H B 0026 PHE CB
H B 0026 PHE C 2.430 C B 0027 ASN CA
H B 0026 PHE C 2.947 C B 0027 ASN C
H B 0026 PHE C 3.031 C B 0027 ASN CB
H B 0026 PHE C 3.592 C B 0027 ASN CG
C B 0027 ASN C 2.450 C B 0028 LEU CA
C B 0027 ASN C 3.439 C B 0028 LEU C
C B 0027 ASN C 3.564 C B 0028 LEU CB
C B 0028 LEU CA 2.923 C B 0029 PRO CD
C B 0028 LEU C 2.451 C B 0029 PRO CA
C B 0028 LEU C 3.122 C B 0029 PRO C
C B 0028 LEU C 3.645 C B 0029 PRO CB
C B 0028 LEU C 3.656 C B 0029 PRO CG
C B 0028 LEU C 2.491 C B 0029 PRO CD
C B 0028 LEU CB 3.522 C B 0029 PRO CD
C B 0028 LEU CD1 3.697 H B 0032 VAL CG1
C B 0029 PRO CA 2.910 H B 0030 PRO CD
C B 0029 PRO C 2.459 H B 0030 PRO CA
C B 0029 PRO C 2.973 H B 0030 PRO C
C B 0029 PRO C 3.634 H B 0030 PRO CB
C B 0029 PRO C 3.671 H B 0030 PRO CG
C B 0029 PRO C 2.483 H B 0030 PRO CD
C B 0029 PRO CB 3.545 H B 0030 PRO CD
H B 0030 PRO C 2.421 H B 0031 VAL CA
H B 0030 PRO C 2.969 H B 0031 VAL C
H B 0030 PRO C 3.714 H B 0031 VAL CB
H B 0031 VAL C 2.410 H B 0032 VAL CA
H B 0031 VAL C 3.103 H B 0032 VAL C
H B 0031 VAL C 3.671 H B 0032 VAL CB
H B 0032 VAL C 2.404 H B 0033 ALA CA
H B 0032 VAL C 2.929 H B 0033 ALA C
H B 0032 VAL C 3.676 H B 0033 ALA CB
H B 0033 ALA C 2.411 H B 0034 LYS CA
H B 0033 ALA C 2.962 H B 0034 LYS C
H B 0033 ALA C 3.689 H B 0034 LYS CB
H B 0034 LYS C 2.418 H B 0035 GLU CA
H B 0034 LYS C 2.958 H B 0035 GLU C
H B 0034 LYS C 3.697 H B 0035 GLU CB
H B 0035 GLU C 2.422 H B 0036 ILE CA
H B 0035 GLU C 2.967 H B 0036 ILE C
H B 0035 GLU C 3.690 H B 0036 ILE CB
H B 0036 ILE C 2.425 H B 0037 VAL CA
H B 0036 ILE C 2.983 H B 0037 VAL C
H B 0036 ILE C 3.694 H B 0037 VAL CB
H B 0037 VAL C 2.428 H B 0038 ALA CA
H B 0037 VAL C 3.015 H B 0038 ALA C
H B 0037 VAL C 3.668 H B 0038 ALA CB
H B 0037 VAL CG1 3.681 H B 0043 CYS CB
H B 0038 ALA C 2.424 H B 0039 SER CA
H B 0038 ALA C 3.251 H B 0039 SER C
H B 0038 ALA C 3.614 H B 0039 SER CB
H B 0039 SER C 2.413 C B 0040 CYS CA
H B 0039 SER C 2.913 C B 0040 CYS C
H B 0039 SER C 3.686 C B 0040 CYS CB
C B 0040 CYS C 2.415 H B 0041 ASP CA
C B 0040 CYS C 3.133 H B 0041 ASP C
C B 0040 CYS C 3.665 H B 0041 ASP CB
H B 0041 ASP C 2.416 H B 0042 LYS CA
H B 0041 ASP C 3.124 H B 0042 LYS C
H B 0041 ASP C 3.665 H B 0042 LYS CB
H B 0042 LYS C 2.419 H B 0043 CYS CA
H B 0042 LYS C 3.137 H B 0043 CYS C
H B 0042 LYS C 3.667 H B 0043 CYS CB
H B 0043 CYS C 2.428 H B 0044 GLN CA
H B 0043 CYS C 3.065 H B 0044 GLN C
H B 0043 CYS C 3.698 H B 0044 GLN CB
H B 0044 GLN C 2.417 C B 0045 LEU CA
H B 0044 GLN C 3.141 C B 0045 LEU C
H B 0044 GLN C 3.662 C B 0045 LEU CB
C B 0045 LEU C 2.418 C B 0046 LYS CA
C B 0045 LEU C 3.086 C B 0046 LYS C
C B 0045 LEU C 3.680 C B 0046 LYS CB
CHARGE_ATTR 2.00 12.00 24
H B 0006 ASP OD1 11.10 H B 0007 LYS NZ
H B 0006 ASP OD2 10.44 H B 0007 LYS NZ
H B 0010 GLU OE1 5.676 H B 0007 LYS NZ
H B 0010 GLU OE2 6.939 H B 0007 LYS NZ
H B 0011 GLU OE1 6.583 H B 0007 LYS NZ
H B 0011 GLU OE2 4.685 H B 0007 LYS NZ
H B 0011 GLU OE1 5.542 H B 0014 LYS NZ
H B 0011 GLU OE2 6.862 H B 0014 LYS NZ
H B 0011 GLU OE1 9.865 C B 0016 HIS ND1
H B 0011 GLU OE1 11.28 C B 0016 HIS NE2
H B 0011 GLU OE2 11.57 C B 0016 HIS ND1
H B 0013 GLU OE1 11.12 H B 0014 LYS NZ
H B 0013 GLU OE1 7.752 C B 0016 HIS ND1
H B 0013 GLU OE1 8.386 C B 0016 HIS NE2
H B 0013 GLU OE2 8.115 C B 0016 HIS ND1
H B 0013 GLU OE2 8.620 C B 0016 HIS NE2
H B 0013 GLU OE1 6.561 H B 0042 LYS NZ
H B 0013 GLU OE2 4.490 H B 0042 LYS NZ
H B 0025 ASP OD2 11.06 H B 0007 LYS NZ
H B 0025 ASP OD1 8.972 H B 0014 LYS NZ
H B 0025 ASP OD2 7.250 H B 0014 LYS NZ
H B 0025 ASP OD2 11.06 C B 0016 HIS ND1
H B 0041 ASP OD1 9.991 H B 0042 LYS NZ
H B 0041 ASP OD2 8.982 H B 0042 LYS NZ
CHARGE_REPU 2.00 12.00 39
H B 0003 ASP OD1 6.652 H B 0006 ASP OD1
H B 0003 ASP OD1 6.900 H B 0006 ASP OD2
H B 0003 ASP OD2 8.461 H B 0006 ASP OD1
H B 0003 ASP OD2 8.396 H B 0006 ASP OD2
H B 0003 ASP OD1 11.96 H B 0035 GLU OE1
H B 0006 ASP OD1 8.653 H B 0010 GLU OE1
H B 0006 ASP OD1 10.45 H B 0010 GLU OE2
H B 0006 ASP OD2 7.652 H B 0010 GLU OE1
H B 0006 ASP OD2 9.376 H B 0010 GLU OE2
H B 0006 ASP OD1 8.323 H B 0035 GLU OE1
H B 0006 ASP OD1 8.760 H B 0035 GLU OE2
H B 0006 ASP OD2 10.43 H B 0035 GLU OE1
H B 0006 ASP OD2 10.79 H B 0035 GLU OE2
H B 0007 LYS NZ 11.28 H B 0014 LYS NZ
H B 0010 GLU OE1 8.238 H B 0011 GLU OE1
H B 0010 GLU OE1 6.668 H B 0011 GLU OE2
H B 0010 GLU OE2 8.783 H B 0011 GLU OE1
H B 0010 GLU OE2 7.222 H B 0011 GLU OE2
H B 0010 GLU OE1 10.62 H B 0013 GLU OE1
H B 0010 GLU OE2 9.588 H B 0013 GLU OE1
H B 0010 GLU OE2 11.35 H B 0013 GLU OE2
H B 0011 GLU OE1 10.46 H B 0013 GLU OE1
H B 0011 GLU OE2 10.85 H B 0013 GLU OE1
H B 0011 GLU OE1 8.233 H B 0025 ASP OD1
H B 0011 GLU OE1 6.263 H B 0025 ASP OD2
H B 0011 GLU OE2 9.782 H B 0025 ASP OD1
H B 0011 GLU OE2 7.992 H B 0025 ASP OD2
H B 0013 GLU OE2 11.80 H B 0041 ASP OD1
H B 0013 GLU OE2 11.19 H B 0041 ASP OD2
H B 0014 LYS NZ 8.408 C B 0016 HIS ND1
H B 0014 LYS NZ 8.815 C B 0016 HIS NE2
C B 0016 HIS ND1 11.38 H B 0042 LYS NZ
C B 0016 HIS NE2 11.68 H B 0042 LYS NZ
H B 0020 ARG NH1 9.017 H B 0034 LYS NZ
H B 0020 ARG NH2 7.091 H B 0034 LYS NZ
H B 0034 LYS NZ 11.42 C B 0046 LYS NZ
H B 0035 GLU OE1 11.39 H B 0041 ASP OD1
H B 0035 GLU OE2 10.25 H B 0041 ASP OD1
H B 0035 GLU OE2 11.88 H B 0041 ASP OD2
HB_MM 2.00 3.20 93
C B 0002 LEU N 2.204 C B 0001 PHE O
H B 0003 ASP N 2.184 C B 0002 LEU O
H B 0004 GLY N 3.189 C B 0002 LEU O
H B 0004 GLY N 2.200 H B 0003 ASP O
H B 0005 ILE N 2.855 C B 0002 LEU O
H B 0005 ILE N 2.423 H B 0003 ASP O
H B 0005 ILE N 2.191 H B 0004 GLY O
H B 0006 ASP N 2.655 H B 0003 ASP O
H B 0006 ASP N 2.195 H B 0005 ILE O
H B 0007 LYS N 2.937 H B 0004 GLY O
H B 0007 LYS N 3.176 H B 0005 ILE O
H B 0007 LYS N 2.199 H B 0006 ASP O
H B 0008 ALA N 3.017 H B 0004 GLY O
H B 0008 ALA N 3.002 H B 0005 ILE O
H B 0008 ALA N 2.200 H B 0007 LYS O
H B 0009 GLN N 3.181 H B 0006 ASP O
H B 0009 GLN N 2.195 H B 0008 ALA O
H B 0010 GLU N 3.108 H B 0007 LYS O
H B 0010 GLU N 2.199 H B 0009 GLN O
H B 0011 GLU N 3.083 H B 0008 ALA O
H B 0011 GLU N 2.197 H B 0010 GLU O
H B 0012 CYS N 2.741 H B 0008 ALA O
H B 0012 CYS N 3.125 H B 0009 GLN O
H B 0012 CYS N 2.196 H B 0011 GLU O
H B 0013 GLU N 2.989 H B 0011 GLU O
H B 0013 GLU N 2.201 H B 0012 CYS O
H B 0014 LYS N 2.631 H B 0011 GLU O
H B 0014 LYS N 3.174 H B 0012 CYS O
H B 0014 LYS N 2.190 H B 0013 GLU O
H B 0015 TYR N 3.141 H B 0011 GLU O
H B 0015 TYR N 3.127 H B 0012 CYS O
H B 0015 TYR N 2.195 H B 0014 LYS O
C B 0016 HIS N 2.882 H B 0012 CYS O
C B 0016 HIS N 3.192 H B 0013 GLU O
C B 0016 HIS N 2.199 H B 0015 TYR O
C B 0017 SER N 2.202 C B 0016 HIS O
C B 0018 ASN N 2.928 H B 0015 TYR O
C B 0018 ASN N 2.194 C B 0017 SER O
H B 0019 TRP N 2.843 C B 0017 SER O
H B 0019 TRP N 2.197 C B 0018 ASN O
H B 0020 ARG N 2.196 H B 0019 TRP O
H B 0021 ALA N 2.193 H B 0020 ARG O
H B 0022 MET N 3.142 H B 0019 TRP O
H B 0022 MET N 2.198 H B 0021 ALA O
H B 0023 ALA N 2.872 H B 0019 TRP O
H B 0023 ALA N 2.192 H B 0022 MET O
H B 0024 SER N 3.059 H B 0020 ARG O
H B 0024 SER N 3.109 H B 0021 ALA O
H B 0024 SER N 3.151 H B 0022 MET O
H B 0024 SER N 2.200 H B 0023 ALA O
H B 0025 ASP N 3.009 H B 0021 ALA O
H B 0025 ASP N 3.006 H B 0022 MET O
H B 0025 ASP N 2.194 H B 0024 SER O
H B 0026 PHE N 2.976 H B 0022 MET O
H B 0026 PHE N 2.194 H B 0025 ASP O
C B 0027 ASN N 2.522 H B 0023 ALA O
C B 0027 ASN N 2.196 H B 0026 PHE O
C B 0028 LEU N 3.033 H B 0023 ALA O
C B 0028 LEU N 2.204 C B 0027 ASN O
C B 0029 PRO N 2.204 C B 0028 LEU O
H B 0030 PRO N 2.203 C B 0029 PRO O
H B 0031 VAL N 2.631 C B 0029 PRO O
H B 0031 VAL N 2.192 H B 0030 PRO O
H B 0032 VAL N 3.037 C B 0029 PRO O
H B 0032 VAL N 2.188 H B 0031 VAL O
H B 0033 ALA N 2.185 H B 0032 VAL O
H B 0034 LYS N 2.896 H B 0030 PRO O
H B 0034 LYS N 2.192 H B 0033 ALA O
H B 0035 GLU N 3.085 H B 0031 VAL O
H B 0035 GLU N 3.119 H B 0032 VAL O
H B 0035 GLU N 2.195 H B 0034 LYS O
H B 0036 ILE N 2.912 H B 0032 VAL O
H B 0036 ILE N 3.133 H B 0033 ALA O
H B 0036 ILE N 2.195 H B 0035 GLU O
H B 0037 VAL N 3.079 H B 0034 LYS O
H B 0037 VAL N 2.197 H B 0036 ILE O
H B 0038 ALA N 2.820 H B 0034 LYS O
H B 0038 ALA N 3.080 H B 0035 GLU O
H B 0038 ALA N 2.199 H B 0037 VAL O
H B 0039 SER N 3.105 H B 0035 GLU O
H B 0039 SER N 3.061 H B 0036 ILE O
H B 0039 SER N 2.981 H B 0037 VAL O
H B 0039 SER N 2.192 H B 0038 ALA O
C B 0040 CYS N 3.115 H B 0036 ILE O
C B 0040 CYS N 3.171 H B 0037 VAL O
C B 0040 CYS N 2.195 H B 0039 SER O
H B 0041 ASP N 3.175 H B 0039 SER O
H B 0041 ASP N 2.186 C B 0040 CYS O
H B 0042 LYS N 2.191 H B 0041 ASP O
H B 0043 CYS N 2.192 H B 0042 LYS O
H B 0044 GLN N 2.198 H B 0043 CYS O
C B 0045 LEU N 2.195 H B 0044 GLN O
C B 0046 LYS N 2.194 C B 0045 LEU O
HB_MS 2.00 3.20 4
H B 0013 GLU O 2.336 C B 0016 HIS ND1
H B 0014 LYS O 2.752 C B 0016 HIS ND1
H B 0024 SER O 2.782 C B 0027 ASN ND2
H B 0036 ILE N 2.892 H B 0035 GLU OE1
HB_SS 2.00 3.20 2
H B 0025 ASP OD2 2.631 H B 0015 TYR OH
H B 0035 GLU OE2 2.851 H B 0039 SER OG
AROMATIC 0.00 8.00 3
H B 0007 LYS 7.968 H B 0026 PHE
H B 0020 ARG 5.686 H B 0019 TRP
H B 0034 LYS 5.264 H B 0019 TRP