Complet list of 1wjd con file
Complete list of 1wjd.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 210
C A 0001 PHE C 2.425 H A 0002 LEU CA
C A 0001 PHE C 3.115 H A 0002 LEU C
C A 0001 PHE C 3.673 H A 0002 LEU CB
C A 0001 PHE C 3.599 H A 0005 ILE CD1
H A 0002 LEU C 2.429 H A 0003 ASP CA
H A 0002 LEU C 3.025 H A 0003 ASP C
H A 0002 LEU C 3.696 H A 0003 ASP CB
H A 0003 ASP C 2.418 H A 0004 GLY CA
H A 0003 ASP C 2.986 H A 0004 GLY C
H A 0004 GLY C 2.423 H A 0005 ILE CA
H A 0004 GLY C 2.982 H A 0005 ILE C
H A 0004 GLY C 3.679 H A 0005 ILE CB
H A 0005 ILE C 2.401 H A 0006 ASP CA
H A 0005 ILE C 2.883 H A 0006 ASP C
H A 0005 ILE C 3.685 H A 0006 ASP CB
H A 0005 ILE CG1 3.421 H A 0032 VAL CG1
H A 0006 ASP C 2.406 H A 0007 LYS CA
H A 0006 ASP C 3.015 H A 0007 LYS C
H A 0006 ASP C 3.684 H A 0007 LYS CB
H A 0007 LYS C 2.422 H A 0008 ALA CA
H A 0007 LYS C 3.030 H A 0008 ALA C
H A 0007 LYS C 3.698 H A 0008 ALA CB
H A 0008 ALA C 2.405 H A 0009 GLN CA
H A 0008 ALA C 2.928 H A 0009 GLN C
H A 0008 ALA C 3.686 H A 0009 GLN CB
H A 0008 ALA CA 3.432 H A 0026 PHE CE1
H A 0008 ALA CA 3.437 H A 0026 PHE CZ
H A 0008 ALA CB 3.675 H A 0026 PHE CD1
H A 0008 ALA CB 3.495 H A 0026 PHE CE1
H A 0009 GLN C 2.412 H A 0010 GLU CA
H A 0009 GLN C 2.956 H A 0010 GLU C
H A 0009 GLN C 3.691 H A 0010 GLU CB
H A 0010 GLU C 2.423 H A 0011 GLU CA
H A 0010 GLU C 2.949 H A 0011 GLU C
H A 0010 GLU C 3.699 H A 0011 GLU CB
H A 0011 GLU C 2.409 H A 0012 HIS CA
H A 0011 GLU C 2.946 H A 0012 HIS C
H A 0011 GLU C 3.696 H A 0012 HIS CB
H A 0011 GLU CD 3.753 H A 0015 TYR CE2
H A 0012 HIS C 2.419 H A 0013 GLU CA
H A 0012 HIS C 2.989 H A 0013 GLU C
H A 0012 HIS C 3.682 H A 0013 GLU CB
H A 0012 HIS CD2 3.596 C A 0016 HIS CA
H A 0012 HIS CB 3.760 H A 0036 ILE CG2
H A 0013 GLU C 2.432 H A 0014 LYS CA
H A 0013 GLU C 3.050 H A 0014 LYS C
H A 0013 GLU C 3.695 H A 0014 LYS CB
H A 0014 LYS C 2.443 H A 0015 TYR CA
H A 0014 LYS C 3.620 H A 0015 TYR C
H A 0014 LYS C 3.361 H A 0015 TYR CB
H A 0014 LYS C 3.161 H A 0015 TYR CG
H A 0014 LYS C 3.680 H A 0015 TYR CD1
H A 0014 LYS C 3.375 H A 0015 TYR CD2
H A 0014 LYS CB 3.239 H A 0015 TYR CD2
H A 0014 LYS CB 3.116 H A 0015 TYR CE2
H A 0014 LYS CB 3.718 H A 0015 TYR CZ
H A 0015 TYR C 2.415 C A 0016 HIS CA
H A 0015 TYR C 2.851 C A 0016 HIS C
H A 0015 TYR C 3.051 C A 0016 HIS CB
C A 0016 HIS C 2.418 C A 0017 SER CA
C A 0016 HIS C 2.978 C A 0017 SER C
C A 0016 HIS C 3.687 C A 0017 SER CB
C A 0017 SER C 2.425 C A 0018 ASN CA
C A 0017 SER C 3.086 C A 0018 ASN C
C A 0017 SER C 3.680 C A 0018 ASN CB
C A 0018 ASN C 2.415 H A 0019 TRP CA
C A 0018 ASN C 2.950 H A 0019 TRP C
C A 0018 ASN C 3.697 H A 0019 TRP CB
H A 0019 TRP C 2.414 H A 0020 ARG CA
H A 0019 TRP C 2.987 H A 0020 ARG C
H A 0019 TRP C 3.689 H A 0020 ARG CB
H A 0019 TRP CD2 3.679 H A 0020 ARG CA
H A 0019 TRP CD2 3.596 H A 0020 ARG CG
H A 0019 TRP CE2 3.267 H A 0020 ARG CG
H A 0019 TRP CE3 3.424 H A 0020 ARG CA
H A 0019 TRP CZ2 3.246 H A 0020 ARG CG
H A 0019 TRP CH2 3.538 H A 0020 ARG CG
H A 0019 TRP CA 3.750 H A 0022 MET CE
H A 0019 TRP CZ3 3.590 H A 0030 PRO CB
H A 0019 TRP CA 3.796 H A 0033 ALA CB
H A 0019 TRP CB 3.558 H A 0033 ALA C
H A 0019 TRP CB 3.643 H A 0033 ALA CB
H A 0019 TRP CB 3.777 H A 0034 LYS CA
H A 0019 TRP CG 3.676 H A 0034 LYS CG
H A 0020 ARG C 2.417 H A 0021 ALA CA
H A 0020 ARG C 3.036 H A 0021 ALA C
H A 0020 ARG C 3.687 H A 0021 ALA CB
H A 0021 ALA C 2.416 H A 0022 MET CA
H A 0021 ALA C 2.961 H A 0022 MET C
H A 0021 ALA C 3.685 H A 0022 MET CB
H A 0021 ALA C 3.748 H A 0025 ASP CG
H A 0022 MET C 2.414 H A 0023 ALA CA
H A 0022 MET C 2.933 H A 0023 ALA C
H A 0022 MET C 3.693 H A 0023 ALA CB
H A 0023 ALA C 2.430 H A 0024 SER CA
H A 0023 ALA C 3.072 H A 0024 SER C
H A 0023 ALA C 3.695 H A 0024 SER CB
H A 0024 SER C 2.426 H A 0025 ASP CA
H A 0024 SER C 2.992 H A 0025 ASP C
H A 0024 SER C 3.690 H A 0025 ASP CB
H A 0025 ASP C 2.440 H A 0026 PHE CA
H A 0025 ASP C 3.424 H A 0026 PHE C
H A 0025 ASP C 3.518 H A 0026 PHE CB
H A 0025 ASP C 3.556 H A 0026 PHE CG
H A 0025 ASP C 3.552 H A 0026 PHE CD1
H A 0025 ASP CB 3.542 H A 0026 PHE CD1
H A 0025 ASP CB 3.728 H A 0026 PHE CE1
H A 0026 PHE C 2.430 C A 0027 ASN CA
H A 0026 PHE C 2.932 C A 0027 ASN C
H A 0026 PHE C 3.027 C A 0027 ASN CB
H A 0026 PHE C 3.578 C A 0027 ASN CG
H A 0026 PHE CB 3.692 C A 0028 LEU CG
H A 0026 PHE CB 3.424 C A 0028 LEU CD1
C A 0027 ASN C 2.446 C A 0028 LEU CA
C A 0027 ASN C 3.382 C A 0028 LEU C
C A 0027 ASN C 3.576 C A 0028 LEU CB
C A 0027 ASN C 3.728 C A 0028 LEU CG
C A 0028 LEU CA 2.935 C A 0029 PRO CD
C A 0028 LEU C 2.455 C A 0029 PRO CA
C A 0028 LEU C 3.033 C A 0029 PRO C
C A 0028 LEU C 3.658 C A 0029 PRO CB
C A 0028 LEU C 3.612 C A 0029 PRO CG
C A 0028 LEU C 2.496 C A 0029 PRO CD
C A 0028 LEU CB 3.539 C A 0029 PRO CD
C A 0029 PRO CA 2.881 H A 0030 PRO CD
C A 0029 PRO C 2.446 H A 0030 PRO CA
C A 0029 PRO C 3.005 H A 0030 PRO C
C A 0029 PRO C 3.648 H A 0030 PRO CB
C A 0029 PRO C 3.590 H A 0030 PRO CG
C A 0029 PRO C 2.473 H A 0030 PRO CD
C A 0029 PRO CB 3.375 H A 0030 PRO CD
H A 0030 PRO C 2.407 H A 0031 VAL CA
H A 0030 PRO C 2.909 H A 0031 VAL C
H A 0030 PRO C 3.684 H A 0031 VAL CB
H A 0030 PRO C 3.699 H A 0034 LYS CG
H A 0030 PRO CB 3.747 H A 0034 LYS CD
H A 0031 VAL CA 3.792 H A 0032 VAL CA
H A 0031 VAL C 2.390 H A 0032 VAL CA
H A 0031 VAL C 2.987 H A 0032 VAL C
H A 0031 VAL C 3.673 H A 0032 VAL CB
H A 0032 VAL C 2.415 H A 0033 ALA CA
H A 0032 VAL C 3.016 H A 0033 ALA C
H A 0032 VAL C 3.682 H A 0033 ALA CB
H A 0033 ALA C 2.416 H A 0034 LYS CA
H A 0033 ALA C 2.979 H A 0034 LYS C
H A 0033 ALA C 3.705 H A 0034 LYS CB
H A 0034 LYS C 2.409 H A 0035 GLU CA
H A 0034 LYS C 2.976 H A 0035 GLU C
H A 0034 LYS C 3.697 H A 0035 GLU CB
H A 0035 GLU C 2.410 H A 0036 ILE CA
H A 0035 GLU C 2.916 H A 0036 ILE C
H A 0035 GLU C 3.703 H A 0036 ILE CB
H A 0036 ILE C 2.411 H A 0037 VAL CA
H A 0036 ILE C 2.965 H A 0037 VAL C
H A 0036 ILE C 3.681 H A 0037 VAL CB
H A 0037 VAL C 2.431 H A 0038 ALA CA
H A 0037 VAL C 2.981 H A 0038 ALA C
H A 0037 VAL C 3.701 H A 0038 ALA CB
H A 0038 ALA C 2.423 H A 0039 SER CA
H A 0038 ALA C 3.135 H A 0039 SER C
H A 0038 ALA C 3.671 H A 0039 SER CB
H A 0039 SER C 2.424 C A 0040 CYS CA
H A 0039 SER C 3.149 C A 0040 CYS C
H A 0039 SER C 3.666 C A 0040 CYS CB
C A 0040 CYS C 2.424 H A 0041 ASP CA
C A 0040 CYS C 3.002 H A 0041 ASP C
C A 0040 CYS C 3.690 H A 0041 ASP CB
H A 0041 ASP C 2.421 H A 0042 LYS CA
H A 0041 ASP C 3.075 H A 0042 LYS C
H A 0041 ASP C 3.686 H A 0042 LYS CB
H A 0042 LYS C 2.420 H A 0043 CYS CA
H A 0042 LYS C 3.184 H A 0043 CYS C
H A 0042 LYS C 3.652 H A 0043 CYS CB
H A 0043 CYS C 2.427 H A 0044 GLN CA
H A 0043 CYS C 3.105 H A 0044 GLN C
H A 0043 CYS C 3.683 H A 0044 GLN CB
H A 0044 GLN C 2.418 C A 0045 LEU CA
H A 0044 GLN C 3.149 C A 0045 LEU C
H A 0044 GLN C 3.665 C A 0045 LEU CB
C A 0045 LEU C 2.442 C A 0046 LYS CA
C A 0045 LEU C 3.332 C A 0046 LYS C
C A 0045 LEU C 3.606 C A 0046 LYS CB
C A 0046 LYS C 2.425 C A 0047 GLY CA
C A 0046 LYS C 2.967 C A 0047 GLY C
C A 0047 GLY C 2.426 C A 0048 GLU CA
C A 0047 GLY C 2.864 C A 0048 GLU C
C A 0047 GLY C 3.069 C A 0048 GLU CB
C A 0048 GLU C 2.440 C A 0049 ALA CA
C A 0048 GLU C 2.911 C A 0049 ALA C
C A 0048 GLU C 3.066 C A 0049 ALA CB
C A 0049 ALA C 2.434 C A 0050 MET CA
C A 0049 ALA C 3.620 C A 0050 MET C
C A 0049 ALA C 3.274 C A 0050 MET CB
C A 0049 ALA C 3.199 C A 0050 MET CG
C A 0050 MET C 2.413 C A 0051 HIS CA
C A 0050 MET C 2.886 C A 0051 HIS C
C A 0050 MET C 3.001 C A 0051 HIS CB
C A 0051 HIS C 2.417 C A 0052 GLY CA
C A 0051 HIS C 2.921 C A 0052 GLY C
C A 0052 GLY C 2.432 C A 0053 GLN CA
C A 0052 GLY C 3.245 C A 0053 GLN C
C A 0052 GLY C 3.629 C A 0053 GLN CB
C A 0052 GLY C 3.795 C A 0053 GLN CG
C A 0053 GLN C 2.432 C A 0054 VAL CA
C A 0053 GLN C 2.962 C A 0054 VAL C
C A 0053 GLN C 2.998 C A 0054 VAL CB
C A 0053 GLN C 3.190 C A 0054 VAL CG2
C A 0054 VAL C 2.428 C A 0055 ASP CA
C A 0054 VAL C 3.205 C A 0055 ASP C
C A 0054 VAL C 3.651 C A 0055 ASP CB
CHARGE_ATTR 2.00 12.00 50
H A 0003 ASP OD1 6.382 H A 0007 LYS NZ
H A 0003 ASP OD2 6.898 H A 0007 LYS NZ
H A 0006 ASP OD1 7.088 H A 0007 LYS NZ
H A 0006 ASP OD2 6.344 H A 0007 LYS NZ
H A 0010 GLU OE1 8.711 H A 0007 LYS NZ
H A 0010 GLU OE2 10.77 H A 0007 LYS NZ
H A 0010 GLU OE1 6.912 H A 0014 LYS NZ
H A 0010 GLU OE2 5.340 H A 0014 LYS NZ
H A 0011 GLU OE1 11.55 H A 0007 LYS NZ
H A 0011 GLU OE1 9.695 H A 0012 HIS ND1
H A 0011 GLU OE1 10.76 H A 0012 HIS NE2
H A 0011 GLU OE2 9.915 H A 0012 HIS ND1
H A 0011 GLU OE2 10.96 H A 0012 HIS NE2
H A 0011 GLU OE1 6.041 H A 0014 LYS NZ
H A 0011 GLU OE2 6.795 H A 0014 LYS NZ
H A 0011 GLU OE1 11.90 C A 0016 HIS ND1
H A 0011 GLU OE2 11.98 C A 0016 HIS ND1
H A 0013 GLU OE1 9.388 H A 0012 HIS ND1
H A 0013 GLU OE1 8.933 H A 0012 HIS NE2
H A 0013 GLU OE2 10.41 H A 0012 HIS ND1
H A 0013 GLU OE2 9.524 H A 0012 HIS NE2
H A 0013 GLU OE1 8.230 H A 0014 LYS NZ
H A 0013 GLU OE2 8.723 H A 0014 LYS NZ
H A 0013 GLU OE1 8.768 C A 0016 HIS ND1
H A 0013 GLU OE1 8.062 C A 0016 HIS NE2
H A 0013 GLU OE2 8.608 C A 0016 HIS ND1
H A 0013 GLU OE2 7.417 C A 0016 HIS NE2
H A 0013 GLU OE1 11.92 H A 0042 LYS NZ
H A 0013 GLU OE2 10.61 H A 0042 LYS NZ
H A 0025 ASP OD1 11.21 H A 0012 HIS ND1
H A 0025 ASP OD2 9.180 H A 0012 HIS ND1
H A 0025 ASP OD2 10.84 H A 0012 HIS NE2
H A 0025 ASP OD2 11.63 H A 0014 LYS NZ
H A 0035 GLU OE1 8.621 H A 0012 HIS ND1
H A 0035 GLU OE1 9.778 H A 0012 HIS NE2
H A 0035 GLU OE2 9.945 H A 0012 HIS ND1
H A 0035 GLU OE2 10.74 H A 0012 HIS NE2
H A 0035 GLU OE1 9.521 H A 0034 LYS NZ
H A 0035 GLU OE2 10.00 H A 0034 LYS NZ
H A 0041 ASP OD1 10.93 H A 0012 HIS ND1
H A 0041 ASP OD1 9.703 H A 0012 HIS NE2
H A 0041 ASP OD2 10.84 H A 0012 HIS NE2
H A 0041 ASP OD1 9.895 C A 0016 HIS ND1
H A 0041 ASP OD1 10.73 C A 0016 HIS NE2
H A 0041 ASP OD2 10.48 C A 0016 HIS ND1
H A 0041 ASP OD2 10.89 C A 0016 HIS NE2
H A 0041 ASP OD1 8.657 H A 0042 LYS NZ
H A 0041 ASP OD2 7.717 H A 0042 LYS NZ
C A 0048 GLU OE1 8.179 C A 0046 LYS NZ
C A 0048 GLU OE2 10.24 C A 0046 LYS NZ
CHARGE_REPU 2.00 12.00 43
H A 0003 ASP OD1 8.233 H A 0006 ASP OD1
H A 0003 ASP OD1 6.698 H A 0006 ASP OD2
H A 0003 ASP OD2 10.09 H A 0006 ASP OD1
H A 0003 ASP OD2 8.661 H A 0006 ASP OD2
H A 0006 ASP OD1 6.189 H A 0010 GLU OE1
H A 0006 ASP OD1 7.861 H A 0010 GLU OE2
H A 0006 ASP OD2 7.560 H A 0010 GLU OE1
H A 0006 ASP OD2 9.272 H A 0010 GLU OE2
H A 0006 ASP OD1 10.72 H A 0011 GLU OE1
H A 0006 ASP OD1 8.675 H A 0013 GLU OE1
H A 0006 ASP OD1 10.69 H A 0013 GLU OE2
H A 0006 ASP OD2 10.63 H A 0013 GLU OE1
H A 0006 ASP OD1 11.39 H A 0035 GLU OE1
H A 0010 GLU OE1 6.362 H A 0011 GLU OE1
H A 0010 GLU OE1 8.480 H A 0011 GLU OE2
H A 0010 GLU OE2 6.738 H A 0011 GLU OE1
H A 0010 GLU OE2 8.670 H A 0011 GLU OE2
H A 0010 GLU OE1 7.248 H A 0013 GLU OE1
H A 0010 GLU OE1 9.008 H A 0013 GLU OE2
H A 0010 GLU OE2 6.622 H A 0013 GLU OE1
H A 0010 GLU OE2 8.004 H A 0013 GLU OE2
H A 0010 GLU OE1 11.80 H A 0025 ASP OD2
H A 0011 GLU OE1 9.598 H A 0013 GLU OE1
H A 0011 GLU OE1 11.07 H A 0013 GLU OE2
H A 0011 GLU OE2 11.10 H A 0013 GLU OE1
H A 0011 GLU OE1 7.554 H A 0025 ASP OD1
H A 0011 GLU OE1 6.094 H A 0025 ASP OD2
H A 0011 GLU OE2 6.250 H A 0025 ASP OD1
H A 0011 GLU OE2 4.963 H A 0025 ASP OD2
H A 0012 HIS ND1 5.349 C A 0016 HIS ND1
H A 0012 HIS ND1 7.200 C A 0016 HIS NE2
H A 0012 HIS NE2 3.261 C A 0016 HIS ND1
H A 0012 HIS NE2 5.230 C A 0016 HIS NE2
H A 0012 HIS NE2 9.937 H A 0042 LYS NZ
H A 0014 LYS NZ 11.50 C A 0016 HIS NE2
C A 0016 HIS ND1 7.365 H A 0042 LYS NZ
C A 0016 HIS NE2 6.409 H A 0042 LYS NZ
H A 0020 ARG NH2 10.65 H A 0034 LYS NZ
H A 0020 ARG NH1 11.56 C A 0046 LYS NZ
H A 0020 ARG NH2 11.58 C A 0046 LYS NZ
H A 0035 GLU OE1 10.75 H A 0041 ASP OD1
H A 0035 GLU OE2 9.677 H A 0041 ASP OD1
H A 0035 GLU OE2 11.36 H A 0041 ASP OD2
HB_MM 2.00 3.20 101
H A 0002 LEU N 2.192 C A 0001 PHE O
H A 0003 ASP N 2.192 H A 0002 LEU O
H A 0004 GLY N 2.190 H A 0003 ASP O
H A 0005 ILE N 2.196 H A 0004 GLY O
H A 0006 ASP N 2.929 H A 0002 LEU O
H A 0006 ASP N 2.190 H A 0005 ILE O
H A 0007 LYS N 3.193 H A 0004 GLY O
H A 0007 LYS N 2.192 H A 0006 ASP O
H A 0008 ALA N 2.809 H A 0004 GLY O
H A 0008 ALA N 3.040 H A 0005 ILE O
H A 0008 ALA N 2.197 H A 0007 LYS O
H A 0009 GLN N 2.414 H A 0005 ILE O
H A 0009 GLN N 2.193 H A 0008 ALA O
H A 0010 GLU N 3.198 H A 0008 ALA O
H A 0010 GLU N 2.195 H A 0009 GLN O
H A 0011 GLU N 3.023 H A 0008 ALA O
H A 0011 GLU N 2.196 H A 0010 GLU O
H A 0012 HIS N 2.980 H A 0008 ALA O
H A 0012 HIS N 3.099 H A 0009 GLN O
H A 0012 HIS N 2.196 H A 0011 GLU O
H A 0013 GLU N 3.057 H A 0009 GLN O
H A 0013 GLU N 3.127 H A 0010 GLU O
H A 0013 GLU N 2.192 H A 0012 HIS O
H A 0014 LYS N 3.020 H A 0010 GLU O
H A 0014 LYS N 2.195 H A 0013 GLU O
H A 0015 TYR N 2.199 H A 0014 LYS O
C A 0016 HIS N 2.378 H A 0012 HIS O
C A 0016 HIS N 2.187 H A 0015 TYR O
C A 0017 SER N 2.997 H A 0015 TYR O
C A 0017 SER N 2.201 C A 0016 HIS O
C A 0018 ASN N 2.198 C A 0017 SER O
H A 0019 TRP N 2.194 C A 0018 ASN O
H A 0020 ARG N 3.028 C A 0018 ASN O
H A 0020 ARG N 2.191 H A 0019 TRP O
H A 0021 ALA N 3.016 C A 0018 ASN O
H A 0021 ALA N 2.192 H A 0020 ARG O
H A 0022 MET N 2.196 H A 0021 ALA O
H A 0023 ALA N 2.826 H A 0019 TRP O
H A 0023 ALA N 2.195 H A 0022 MET O
H A 0024 SER N 3.135 H A 0021 ALA O
H A 0024 SER N 2.200 H A 0023 ALA O
H A 0025 ASP N 2.775 H A 0021 ALA O
H A 0025 ASP N 3.186 H A 0022 MET O
H A 0025 ASP N 2.196 H A 0024 SER O
H A 0026 PHE N 3.066 H A 0022 MET O
H A 0026 PHE N 2.202 H A 0025 ASP O
C A 0027 ASN N 2.505 H A 0023 ALA O
C A 0027 ASN N 2.202 H A 0026 PHE O
C A 0028 LEU N 2.856 H A 0023 ALA O
C A 0028 LEU N 3.154 H A 0026 PHE O
C A 0028 LEU N 2.202 C A 0027 ASN O
C A 0029 PRO N 2.201 C A 0028 LEU O
H A 0030 PRO N 2.199 C A 0029 PRO O
H A 0031 VAL N 3.128 C A 0029 PRO O
H A 0031 VAL N 2.185 H A 0030 PRO O
H A 0032 VAL N 3.190 C A 0029 PRO O
H A 0032 VAL N 2.188 H A 0031 VAL O
H A 0033 ALA N 2.196 H A 0032 VAL O
H A 0034 LYS N 2.410 H A 0030 PRO O
H A 0034 LYS N 2.198 H A 0033 ALA O
H A 0035 GLU N 3.007 H A 0031 VAL O
H A 0035 GLU N 2.196 H A 0034 LYS O
H A 0036 ILE N 3.163 H A 0033 ALA O
H A 0036 ILE N 2.195 H A 0035 GLU O
H A 0037 VAL N 3.084 H A 0034 LYS O
H A 0037 VAL N 3.186 H A 0035 GLU O
H A 0037 VAL N 2.194 H A 0036 ILE O
H A 0038 ALA N 3.030 H A 0034 LYS O
H A 0038 ALA N 2.897 H A 0035 GLU O
H A 0038 ALA N 2.199 H A 0037 VAL O
H A 0039 SER N 3.039 H A 0035 GLU O
H A 0039 SER N 3.086 H A 0036 ILE O
H A 0039 SER N 3.161 H A 0037 VAL O
H A 0039 SER N 2.194 H A 0038 ALA O
C A 0040 CYS N 3.062 H A 0036 ILE O
C A 0040 CYS N 2.989 H A 0037 VAL O
C A 0040 CYS N 2.199 H A 0039 SER O
H A 0041 ASP N 3.158 H A 0039 SER O
H A 0041 ASP N 2.197 C A 0040 CYS O
H A 0042 LYS N 3.162 C A 0040 CYS O
H A 0042 LYS N 2.192 H A 0041 ASP O
H A 0043 CYS N 2.192 H A 0042 LYS O
H A 0044 GLN N 2.752 C A 0040 CYS O
H A 0044 GLN N 2.198 H A 0043 CYS O
C A 0045 LEU N 3.160 H A 0041 ASP O
C A 0045 LEU N 2.193 H A 0044 GLN O
C A 0046 LYS N 3.174 H A 0044 GLN O
C A 0046 LYS N 2.203 C A 0045 LEU O
C A 0047 GLY N 2.197 C A 0046 LYS O
C A 0048 GLU N 3.130 C A 0046 LYS O
C A 0048 GLU N 2.197 C A 0047 GLY O
C A 0049 ALA N 2.799 C A 0047 GLY O
C A 0049 ALA N 2.201 C A 0048 GLU O
C A 0050 MET N 2.390 C A 0048 GLU O
C A 0050 MET N 2.200 C A 0049 ALA O
C A 0051 HIS N 2.194 C A 0050 MET O
C A 0052 GLY N 3.195 C A 0050 MET O
C A 0052 GLY N 2.193 C A 0051 HIS O
C A 0053 GLN N 2.197 C A 0052 GLY O
C A 0054 VAL N 2.202 C A 0053 GLN O
C A 0055 ASP N 2.198 C A 0054 VAL O
HB_MS 2.00 3.20 1
H A 0036 ILE N 2.867 H A 0035 GLU OE1
HB_SS 2.00 3.20 1
H A 0035 GLU OE2 2.719 H A 0039 SER OG
AROMATIC 0.00 8.00 2
H A 0012 HIS 5.101 C A 0016 HIS
H A 0020 ARG 6.103 H A 0019 TRP
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 14
C A 0001 PHE CE2 3.399 C B 0001 PHE CE2
C A 0001 PHE CE2 3.522 H B 0032 VAL CG2
H A 0002 LEU CD2 3.694 H B 0031 VAL CG2
H A 0005 ILE CD1 3.727 H B 0031 VAL CG1
H A 0005 ILE CD1 3.685 H B 0031 VAL CG2
C A 0029 PRO CG 3.772 C B 0001 PHE CG
C A 0029 PRO CG 3.747 C B 0001 PHE CD2
H A 0031 VAL CG2 3.632 H B 0002 LEU CD2
H A 0031 VAL CG1 3.682 H B 0005 ILE CD1
H A 0031 VAL CG2 3.547 H B 0005 ILE CD1
H A 0032 VAL CG2 3.442 C B 0001 PHE CE2
H A 0038 ALA CB 3.538 H B 0038 ALA CB
C A 0045 LEU CD2 3.216 C B 0045 LEU CD2
C A 0049 ALA CB 3.590 C B 0049 ALA CB
CHARGE_ATTR 2.00 12.00 8
H A 0034 LYS NZ 4.752 H B 0035 GLU OE1
H A 0034 LYS NZ 2.604 H B 0035 GLU OE2
H A 0034 LYS NZ 9.000 H B 0041 ASP OD1
H A 0034 LYS NZ 10.58 H B 0041 ASP OD2
H A 0035 GLU OE1 4.934 H B 0034 LYS NZ
H A 0035 GLU OE2 2.791 H B 0034 LYS NZ
H A 0041 ASP OD1 9.020 H B 0034 LYS NZ
H A 0041 ASP OD2 10.58 H B 0034 LYS NZ
CHARGE_REPU 2.00 12.00 17
H A 0034 LYS NZ 11.94 H B 0012 HIS ND1
H A 0034 LYS NZ 10.95 H B 0034 LYS NZ
H A 0035 GLU OE1 9.193 H B 0035 GLU OE1
H A 0035 GLU OE1 9.138 H B 0035 GLU OE2
H A 0035 GLU OE2 9.174 H B 0035 GLU OE1
H A 0035 GLU OE2 9.352 H B 0035 GLU OE2
H A 0041 ASP OD1 9.853 C B 0048 GLU OE1
H A 0041 ASP OD1 8.580 C B 0048 GLU OE2
H A 0041 ASP OD2 9.231 C B 0048 GLU OE1
H A 0041 ASP OD2 7.766 C B 0048 GLU OE2
C A 0048 GLU OE1 9.660 H B 0041 ASP OD1
C A 0048 GLU OE1 8.945 H B 0041 ASP OD2
C A 0048 GLU OE2 8.415 H B 0041 ASP OD1
C A 0048 GLU OE2 7.512 H B 0041 ASP OD2
C A 0051 HIS ND1 8.145 C B 0051 HIS ND1
C A 0051 HIS ND1 10.09 C B 0051 HIS NE2
C A 0051 HIS NE2 10.08 C B 0051 HIS ND1
HB_SS 2.00 3.20 1
H A 0044 GLN NE2 3.001 H B 0044 GLN OE1
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 212
C B 0001 PHE C 2.425 H B 0002 LEU CA
C B 0001 PHE C 3.113 H B 0002 LEU C
C B 0001 PHE C 3.671 H B 0002 LEU CB
C B 0001 PHE C 3.588 H B 0005 ILE CD1
H B 0002 LEU C 2.427 H B 0003 ASP CA
H B 0002 LEU C 3.026 H B 0003 ASP C
H B 0002 LEU C 3.695 H B 0003 ASP CB
H B 0003 ASP C 2.422 H B 0004 GLY CA
H B 0003 ASP C 2.989 H B 0004 GLY C
H B 0004 GLY C 2.421 H B 0005 ILE CA
H B 0004 GLY C 2.983 H B 0005 ILE C
H B 0004 GLY C 3.675 H B 0005 ILE CB
H B 0005 ILE C 2.400 H B 0006 ASP CA
H B 0005 ILE C 2.878 H B 0006 ASP C
H B 0005 ILE C 3.682 H B 0006 ASP CB
H B 0005 ILE CG1 3.424 H B 0032 VAL CG1
H B 0006 ASP C 2.412 H B 0007 LYS CA
H B 0006 ASP C 3.026 H B 0007 LYS C
H B 0006 ASP C 3.688 H B 0007 LYS CB
H B 0007 LYS C 2.420 H B 0008 ALA CA
H B 0007 LYS C 3.029 H B 0008 ALA C
H B 0007 LYS C 3.694 H B 0008 ALA CB
H B 0008 ALA C 2.405 H B 0009 GLN CA
H B 0008 ALA C 2.933 H B 0009 GLN C
H B 0008 ALA C 3.686 H B 0009 GLN CB
H B 0008 ALA CA 3.427 H B 0026 PHE CE1
H B 0008 ALA CA 3.427 H B 0026 PHE CZ
H B 0008 ALA CB 3.671 H B 0026 PHE CD1
H B 0008 ALA CB 3.484 H B 0026 PHE CE1
H B 0009 GLN C 2.419 H B 0010 GLU CA
H B 0009 GLN C 2.961 H B 0010 GLU C
H B 0009 GLN C 3.695 H B 0010 GLU CB
H B 0010 GLU C 2.427 H B 0011 GLU CA
H B 0010 GLU C 2.948 H B 0011 GLU C
H B 0010 GLU C 3.706 H B 0011 GLU CB
H B 0011 GLU C 2.409 H B 0012 HIS CA
H B 0011 GLU C 2.946 H B 0012 HIS C
H B 0011 GLU C 3.698 H B 0012 HIS CB
H B 0011 GLU CD 3.753 H B 0015 TYR CE2
H B 0012 HIS C 2.414 H B 0013 GLU CA
H B 0012 HIS C 2.983 H B 0013 GLU C
H B 0012 HIS C 3.676 H B 0013 GLU CB
H B 0012 HIS CD2 3.586 C B 0016 HIS CA
H B 0012 HIS CB 3.756 H B 0036 ILE CG2
H B 0012 HIS CG 3.796 H B 0036 ILE CG2
H B 0013 GLU C 2.425 H B 0014 LYS CA
H B 0013 GLU C 3.045 H B 0014 LYS C
H B 0013 GLU C 3.687 H B 0014 LYS CB
H B 0014 LYS C 2.441 H B 0015 TYR CA
H B 0014 LYS C 3.620 H B 0015 TYR C
H B 0014 LYS C 3.357 H B 0015 TYR CB
H B 0014 LYS C 3.156 H B 0015 TYR CG
H B 0014 LYS C 3.673 H B 0015 TYR CD1
H B 0014 LYS C 3.370 H B 0015 TYR CD2
H B 0014 LYS CB 3.237 H B 0015 TYR CD2
H B 0014 LYS CB 3.116 H B 0015 TYR CE2
H B 0014 LYS CB 3.717 H B 0015 TYR CZ
H B 0015 TYR C 2.417 C B 0016 HIS CA
H B 0015 TYR C 2.854 C B 0016 HIS C
H B 0015 TYR C 3.047 C B 0016 HIS CB
C B 0016 HIS CA 3.797 C B 0017 SER CA
C B 0016 HIS C 2.413 C B 0017 SER CA
C B 0016 HIS C 2.975 C B 0017 SER C
C B 0016 HIS C 3.683 C B 0017 SER CB
C B 0017 SER C 2.423 C B 0018 ASN CA
C B 0017 SER C 3.079 C B 0018 ASN C
C B 0017 SER C 3.682 C B 0018 ASN CB
C B 0018 ASN C 2.417 H B 0019 TRP CA
C B 0018 ASN C 2.949 H B 0019 TRP C
C B 0018 ASN C 3.705 H B 0019 TRP CB
H B 0019 TRP C 2.416 H B 0020 ARG CA
H B 0019 TRP C 2.984 H B 0020 ARG C
H B 0019 TRP C 3.694 H B 0020 ARG CB
H B 0019 TRP CD2 3.680 H B 0020 ARG CA
H B 0019 TRP CD2 3.601 H B 0020 ARG CG
H B 0019 TRP CE2 3.264 H B 0020 ARG CG
H B 0019 TRP CE3 3.435 H B 0020 ARG CA
H B 0019 TRP CZ2 3.242 H B 0020 ARG CG
H B 0019 TRP CH2 3.541 H B 0020 ARG CG
H B 0019 TRP CA 3.746 H B 0022 MET CE
H B 0019 TRP CZ3 3.588 H B 0030 PRO CB
H B 0019 TRP CA 3.798 H B 0033 ALA CB
H B 0019 TRP CB 3.552 H B 0033 ALA C
H B 0019 TRP CB 3.640 H B 0033 ALA CB
H B 0019 TRP CB 3.776 H B 0034 LYS CA
H B 0019 TRP CG 3.670 H B 0034 LYS CG
H B 0020 ARG C 2.417 H B 0021 ALA CA
H B 0020 ARG C 3.042 H B 0021 ALA C
H B 0020 ARG C 3.689 H B 0021 ALA CB
H B 0021 ALA C 2.412 H B 0022 MET CA
H B 0021 ALA C 2.957 H B 0022 MET C
H B 0021 ALA C 3.682 H B 0022 MET CB
H B 0021 ALA C 3.761 H B 0025 ASP CG
H B 0022 MET C 2.414 H B 0023 ALA CA
H B 0022 MET C 2.936 H B 0023 ALA C
H B 0022 MET C 3.693 H B 0023 ALA CB
H B 0023 ALA C 2.421 H B 0024 SER CA
H B 0023 ALA C 3.064 H B 0024 SER C
H B 0023 ALA C 3.681 H B 0024 SER CB
H B 0024 SER C 2.427 H B 0025 ASP CA
H B 0024 SER C 2.992 H B 0025 ASP C
H B 0024 SER C 3.691 H B 0025 ASP CB
H B 0025 ASP C 2.440 H B 0026 PHE CA
H B 0025 ASP C 3.425 H B 0026 PHE C
H B 0025 ASP C 3.517 H B 0026 PHE CB
H B 0025 ASP C 3.556 H B 0026 PHE CG
H B 0025 ASP C 3.547 H B 0026 PHE CD1
H B 0025 ASP CB 3.537 H B 0026 PHE CD1
H B 0025 ASP CB 3.726 H B 0026 PHE CE1
H B 0026 PHE C 2.430 C B 0027 ASN CA
H B 0026 PHE C 2.935 C B 0027 ASN C
H B 0026 PHE C 3.029 C B 0027 ASN CB
H B 0026 PHE C 3.570 C B 0027 ASN CG
H B 0026 PHE CB 3.686 C B 0028 LEU CG
H B 0026 PHE CB 3.418 C B 0028 LEU CD1
C B 0027 ASN C 2.448 C B 0028 LEU CA
C B 0027 ASN C 3.383 C B 0028 LEU C
C B 0027 ASN C 3.577 C B 0028 LEU CB
C B 0027 ASN C 3.728 C B 0028 LEU CG
C B 0028 LEU CA 2.943 C B 0029 PRO CD
C B 0028 LEU C 2.458 C B 0029 PRO CA
C B 0028 LEU C 3.034 C B 0029 PRO C
C B 0028 LEU C 3.662 C B 0029 PRO CB
C B 0028 LEU C 3.615 C B 0029 PRO CG
C B 0028 LEU C 2.500 C B 0029 PRO CD
C B 0028 LEU CB 3.549 C B 0029 PRO CD
C B 0029 PRO CA 2.880 H B 0030 PRO CD
C B 0029 PRO C 2.447 H B 0030 PRO CA
C B 0029 PRO C 3.006 H B 0030 PRO C
C B 0029 PRO C 3.651 H B 0030 PRO CB
C B 0029 PRO C 3.591 H B 0030 PRO CG
C B 0029 PRO C 2.473 H B 0030 PRO CD
C B 0029 PRO CB 3.371 H B 0030 PRO CD
H B 0030 PRO C 2.410 H B 0031 VAL CA
H B 0030 PRO C 2.910 H B 0031 VAL C
H B 0030 PRO C 3.690 H B 0031 VAL CB
H B 0030 PRO C 3.701 H B 0034 LYS CG
H B 0030 PRO CB 3.741 H B 0034 LYS CD
H B 0031 VAL CA 3.792 H B 0032 VAL CA
H B 0031 VAL C 2.391 H B 0032 VAL CA
H B 0031 VAL C 2.993 H B 0032 VAL C
H B 0031 VAL C 3.675 H B 0032 VAL CB
H B 0032 VAL C 2.414 H B 0033 ALA CA
H B 0032 VAL C 3.018 H B 0033 ALA C
H B 0032 VAL C 3.679 H B 0033 ALA CB
H B 0033 ALA C 2.420 H B 0034 LYS CA
H B 0033 ALA C 2.983 H B 0034 LYS C
H B 0033 ALA C 3.707 H B 0034 LYS CB
H B 0034 LYS C 2.410 H B 0035 GLU CA
H B 0034 LYS C 2.975 H B 0035 GLU C
H B 0034 LYS C 3.700 H B 0035 GLU CB
H B 0035 GLU C 2.412 H B 0036 ILE CA
H B 0035 GLU C 2.911 H B 0036 ILE C
H B 0035 GLU C 3.699 H B 0036 ILE CB
H B 0036 ILE C 2.409 H B 0037 VAL CA
H B 0036 ILE C 2.965 H B 0037 VAL C
H B 0036 ILE C 3.682 H B 0037 VAL CB
H B 0037 VAL C 2.433 H B 0038 ALA CA
H B 0037 VAL C 2.980 H B 0038 ALA C
H B 0037 VAL C 3.701 H B 0038 ALA CB
H B 0038 ALA C 2.419 H B 0039 SER CA
H B 0038 ALA C 3.130 H B 0039 SER C
H B 0038 ALA C 3.666 H B 0039 SER CB
H B 0039 SER C 2.420 C B 0040 CYS CA
H B 0039 SER C 3.146 C B 0040 CYS C
H B 0039 SER C 3.661 C B 0040 CYS CB
C B 0040 CYS C 2.422 H B 0041 ASP CA
C B 0040 CYS C 3.002 H B 0041 ASP C
C B 0040 CYS C 3.685 H B 0041 ASP CB
H B 0041 ASP C 2.419 H B 0042 LYS CA
H B 0041 ASP C 3.075 H B 0042 LYS C
H B 0041 ASP C 3.686 H B 0042 LYS CB
H B 0042 LYS C 2.419 H B 0043 CYS CA
H B 0042 LYS C 3.185 H B 0043 CYS C
H B 0042 LYS C 3.651 H B 0043 CYS CB
H B 0043 CYS C 2.424 H B 0044 GLN CA
H B 0043 CYS C 3.099 H B 0044 GLN C
H B 0043 CYS C 3.683 H B 0044 GLN CB
H B 0044 GLN C 2.417 C B 0045 LEU CA
H B 0044 GLN C 3.150 C B 0045 LEU C
H B 0044 GLN C 3.662 C B 0045 LEU CB
C B 0045 LEU C 2.443 C B 0046 LYS CA
C B 0045 LEU C 3.336 C B 0046 LYS C
C B 0045 LEU C 3.608 C B 0046 LYS CB
C B 0046 LYS C 2.426 C B 0047 GLY CA
C B 0046 LYS C 2.965 C B 0047 GLY C
C B 0047 GLY C 2.425 C B 0048 GLU CA
C B 0047 GLY C 2.864 C B 0048 GLU C
C B 0047 GLY C 3.063 C B 0048 GLU CB
C B 0048 GLU C 2.431 C B 0049 ALA CA
C B 0048 GLU C 2.905 C B 0049 ALA C
C B 0048 GLU C 3.053 C B 0049 ALA CB
C B 0049 ALA C 2.429 C B 0050 MET CA
C B 0049 ALA C 3.609 C B 0050 MET C
C B 0049 ALA C 3.278 C B 0050 MET CB
C B 0049 ALA C 3.215 C B 0050 MET CG
C B 0050 MET C 2.414 C B 0051 HIS CA
C B 0050 MET C 2.891 C B 0051 HIS C
C B 0050 MET C 2.999 C B 0051 HIS CB
C B 0051 HIS C 2.419 C B 0052 GLY CA
C B 0051 HIS C 2.924 C B 0052 GLY C
C B 0052 GLY C 2.430 C B 0053 GLN CA
C B 0052 GLY C 3.251 C B 0053 GLN C
C B 0052 GLY C 3.621 C B 0053 GLN CB
C B 0052 GLY C 3.785 C B 0053 GLN CG
C B 0053 GLN C 2.430 C B 0054 VAL CA
C B 0053 GLN C 2.962 C B 0054 VAL C
C B 0053 GLN C 2.994 C B 0054 VAL CB
C B 0053 GLN C 3.197 C B 0054 VAL CG2
C B 0054 VAL C 2.426 C B 0055 ASP CA
C B 0054 VAL C 3.200 C B 0055 ASP C
C B 0054 VAL C 3.653 C B 0055 ASP CB
CHARGE_ATTR 2.00 12.00 50
H B 0003 ASP OD1 6.367 H B 0007 LYS NZ
H B 0003 ASP OD2 6.875 H B 0007 LYS NZ
H B 0006 ASP OD1 7.028 H B 0007 LYS NZ
H B 0006 ASP OD2 6.291 H B 0007 LYS NZ
H B 0010 GLU OE1 8.725 H B 0007 LYS NZ
H B 0010 GLU OE2 10.79 H B 0007 LYS NZ
H B 0010 GLU OE1 6.907 H B 0014 LYS NZ
H B 0010 GLU OE2 5.335 H B 0014 LYS NZ
H B 0011 GLU OE1 11.55 H B 0007 LYS NZ
H B 0011 GLU OE1 9.700 H B 0012 HIS ND1
H B 0011 GLU OE1 10.77 H B 0012 HIS NE2
H B 0011 GLU OE2 9.928 H B 0012 HIS ND1
H B 0011 GLU OE2 10.97 H B 0012 HIS NE2
H B 0011 GLU OE1 6.029 H B 0014 LYS NZ
H B 0011 GLU OE2 6.781 H B 0014 LYS NZ
H B 0011 GLU OE1 11.90 C B 0016 HIS ND1
H B 0011 GLU OE2 11.99 C B 0016 HIS ND1
H B 0013 GLU OE1 9.406 H B 0012 HIS ND1
H B 0013 GLU OE1 8.959 H B 0012 HIS NE2
H B 0013 GLU OE2 10.40 H B 0012 HIS ND1
H B 0013 GLU OE2 9.515 H B 0012 HIS NE2
H B 0013 GLU OE1 8.163 H B 0014 LYS NZ
H B 0013 GLU OE2 8.734 H B 0014 LYS NZ
H B 0013 GLU OE1 8.791 C B 0016 HIS ND1
H B 0013 GLU OE1 8.089 C B 0016 HIS NE2
H B 0013 GLU OE2 8.603 C B 0016 HIS ND1
H B 0013 GLU OE2 7.423 C B 0016 HIS NE2
H B 0013 GLU OE1 11.97 H B 0042 LYS NZ
H B 0013 GLU OE2 10.61 H B 0042 LYS NZ
H B 0025 ASP OD1 11.22 H B 0012 HIS ND1
H B 0025 ASP OD2 9.181 H B 0012 HIS ND1
H B 0025 ASP OD2 10.85 H B 0012 HIS NE2
H B 0025 ASP OD2 11.62 H B 0014 LYS NZ
H B 0035 GLU OE1 8.617 H B 0012 HIS ND1
H B 0035 GLU OE1 9.771 H B 0012 HIS NE2
H B 0035 GLU OE2 9.932 H B 0012 HIS ND1
H B 0035 GLU OE2 10.72 H B 0012 HIS NE2
H B 0035 GLU OE1 9.540 H B 0034 LYS NZ
H B 0035 GLU OE2 9.998 H B 0034 LYS NZ
H B 0041 ASP OD1 10.91 H B 0012 HIS ND1
H B 0041 ASP OD1 9.678 H B 0012 HIS NE2
H B 0041 ASP OD2 10.86 H B 0012 HIS NE2
H B 0041 ASP OD1 9.880 C B 0016 HIS ND1
H B 0041 ASP OD1 10.72 C B 0016 HIS NE2
H B 0041 ASP OD2 10.51 C B 0016 HIS ND1
H B 0041 ASP OD2 10.93 C B 0016 HIS NE2
H B 0041 ASP OD1 8.656 H B 0042 LYS NZ
H B 0041 ASP OD2 7.737 H B 0042 LYS NZ
C B 0048 GLU OE1 8.181 C B 0046 LYS NZ
C B 0048 GLU OE2 10.23 C B 0046 LYS NZ
CHARGE_REPU 2.00 12.00 43
H B 0003 ASP OD1 8.217 H B 0006 ASP OD1
H B 0003 ASP OD1 6.681 H B 0006 ASP OD2
H B 0003 ASP OD2 10.07 H B 0006 ASP OD1
H B 0003 ASP OD2 8.636 H B 0006 ASP OD2
H B 0006 ASP OD1 6.160 H B 0010 GLU OE1
H B 0006 ASP OD1 7.841 H B 0010 GLU OE2
H B 0006 ASP OD2 7.551 H B 0010 GLU OE1
H B 0006 ASP OD2 9.270 H B 0010 GLU OE2
H B 0006 ASP OD1 10.68 H B 0011 GLU OE1
H B 0006 ASP OD1 8.693 H B 0013 GLU OE1
H B 0006 ASP OD1 10.70 H B 0013 GLU OE2
H B 0006 ASP OD2 10.65 H B 0013 GLU OE1
H B 0006 ASP OD1 11.41 H B 0035 GLU OE1
H B 0010 GLU OE1 6.360 H B 0011 GLU OE1
H B 0010 GLU OE1 8.478 H B 0011 GLU OE2
H B 0010 GLU OE2 6.728 H B 0011 GLU OE1
H B 0010 GLU OE2 8.660 H B 0011 GLU OE2
H B 0010 GLU OE1 7.193 H B 0013 GLU OE1
H B 0010 GLU OE1 8.999 H B 0013 GLU OE2
H B 0010 GLU OE2 6.551 H B 0013 GLU OE1
H B 0010 GLU OE2 7.996 H B 0013 GLU OE2
H B 0010 GLU OE1 11.80 H B 0025 ASP OD2
H B 0011 GLU OE1 9.549 H B 0013 GLU OE1
H B 0011 GLU OE1 11.07 H B 0013 GLU OE2
H B 0011 GLU OE2 11.05 H B 0013 GLU OE1
H B 0011 GLU OE1 7.539 H B 0025 ASP OD1
H B 0011 GLU OE1 6.095 H B 0025 ASP OD2
H B 0011 GLU OE2 6.236 H B 0025 ASP OD1
H B 0011 GLU OE2 4.970 H B 0025 ASP OD2
H B 0012 HIS ND1 5.350 C B 0016 HIS ND1
H B 0012 HIS ND1 7.206 C B 0016 HIS NE2
H B 0012 HIS NE2 3.263 C B 0016 HIS ND1
H B 0012 HIS NE2 5.238 C B 0016 HIS NE2
H B 0012 HIS NE2 9.938 H B 0042 LYS NZ
H B 0014 LYS NZ 11.49 C B 0016 HIS NE2
C B 0016 HIS ND1 7.367 H B 0042 LYS NZ
C B 0016 HIS NE2 6.413 H B 0042 LYS NZ
H B 0020 ARG NH2 10.63 H B 0034 LYS NZ
H B 0020 ARG NH1 11.55 C B 0046 LYS NZ
H B 0020 ARG NH2 11.57 C B 0046 LYS NZ
H B 0035 GLU OE1 10.72 H B 0041 ASP OD1
H B 0035 GLU OE2 9.631 H B 0041 ASP OD1
H B 0035 GLU OE2 11.34 H B 0041 ASP OD2
HB_MM 2.00 3.20 99
H B 0002 LEU N 2.193 C B 0001 PHE O
H B 0003 ASP N 2.189 H B 0002 LEU O
H B 0004 GLY N 2.195 H B 0003 ASP O
H B 0005 ILE N 2.193 H B 0004 GLY O
H B 0006 ASP N 2.926 H B 0002 LEU O
H B 0006 ASP N 2.190 H B 0005 ILE O
H B 0007 LYS N 2.193 H B 0006 ASP O
H B 0008 ALA N 2.813 H B 0004 GLY O
H B 0008 ALA N 3.031 H B 0005 ILE O
H B 0008 ALA N 2.198 H B 0007 LYS O
H B 0009 GLN N 2.411 H B 0005 ILE O
H B 0009 GLN N 2.191 H B 0008 ALA O
H B 0010 GLU N 3.195 H B 0008 ALA O
H B 0010 GLU N 2.197 H B 0009 GLN O
H B 0011 GLU N 3.029 H B 0008 ALA O
H B 0011 GLU N 2.200 H B 0010 GLU O
H B 0012 HIS N 2.982 H B 0008 ALA O
H B 0012 HIS N 3.099 H B 0009 GLN O
H B 0012 HIS N 2.196 H B 0011 GLU O
H B 0013 GLU N 3.061 H B 0009 GLN O
H B 0013 GLU N 3.105 H B 0010 GLU O
H B 0013 GLU N 2.187 H B 0012 HIS O
H B 0014 LYS N 3.018 H B 0010 GLU O
H B 0014 LYS N 2.195 H B 0013 GLU O
H B 0015 TYR N 2.201 H B 0014 LYS O
C B 0016 HIS N 2.377 H B 0012 HIS O
C B 0016 HIS N 2.187 H B 0015 TYR O
C B 0017 SER N 3.009 H B 0015 TYR O
C B 0017 SER N 2.201 C B 0016 HIS O
C B 0018 ASN N 2.200 C B 0017 SER O
H B 0019 TRP N 2.193 C B 0018 ASN O
H B 0020 ARG N 3.018 C B 0018 ASN O
H B 0020 ARG N 2.190 H B 0019 TRP O
H B 0021 ALA N 2.996 C B 0018 ASN O
H B 0021 ALA N 2.193 H B 0020 ARG O
H B 0022 MET N 2.195 H B 0021 ALA O
H B 0023 ALA N 2.821 H B 0019 TRP O
H B 0023 ALA N 2.198 H B 0022 MET O
H B 0024 SER N 3.126 H B 0021 ALA O
H B 0024 SER N 2.196 H B 0023 ALA O
H B 0025 ASP N 2.769 H B 0021 ALA O
H B 0025 ASP N 3.181 H B 0022 MET O
H B 0025 ASP N 2.201 H B 0024 SER O
H B 0026 PHE N 3.063 H B 0022 MET O
H B 0026 PHE N 2.201 H B 0025 ASP O
C B 0027 ASN N 2.509 H B 0023 ALA O
C B 0027 ASN N 2.201 H B 0026 PHE O
C B 0028 LEU N 2.872 H B 0023 ALA O
C B 0028 LEU N 3.151 H B 0026 PHE O
C B 0028 LEU N 2.202 C B 0027 ASN O
C B 0029 PRO N 2.207 C B 0028 LEU O
H B 0030 PRO N 2.201 C B 0029 PRO O
H B 0031 VAL N 3.127 C B 0029 PRO O
H B 0031 VAL N 2.185 H B 0030 PRO O
H B 0032 VAL N 3.180 C B 0029 PRO O
H B 0032 VAL N 2.187 H B 0031 VAL O
H B 0033 ALA N 2.196 H B 0032 VAL O
H B 0034 LYS N 2.410 H B 0030 PRO O
H B 0034 LYS N 2.198 H B 0033 ALA O
H B 0035 GLU N 3.016 H B 0031 VAL O
H B 0035 GLU N 2.193 H B 0034 LYS O
H B 0036 ILE N 3.174 H B 0033 ALA O
H B 0036 ILE N 2.191 H B 0035 GLU O
H B 0037 VAL N 3.078 H B 0034 LYS O
H B 0037 VAL N 3.176 H B 0035 GLU O
H B 0037 VAL N 2.192 H B 0036 ILE O
H B 0038 ALA N 3.035 H B 0034 LYS O
H B 0038 ALA N 2.899 H B 0035 GLU O
H B 0038 ALA N 2.202 H B 0037 VAL O
H B 0039 SER N 3.040 H B 0035 GLU O
H B 0039 SER N 3.102 H B 0036 ILE O
H B 0039 SER N 3.161 H B 0037 VAL O
H B 0039 SER N 2.191 H B 0038 ALA O
C B 0040 CYS N 3.069 H B 0036 ILE O
C B 0040 CYS N 2.986 H B 0037 VAL O
C B 0040 CYS N 2.198 H B 0039 SER O
H B 0041 ASP N 3.162 H B 0039 SER O
H B 0041 ASP N 2.194 C B 0040 CYS O
H B 0042 LYS N 3.167 C B 0040 CYS O
H B 0042 LYS N 2.188 H B 0041 ASP O
H B 0043 CYS N 2.193 H B 0042 LYS O
H B 0044 GLN N 2.758 C B 0040 CYS O
H B 0044 GLN N 2.196 H B 0043 CYS O
C B 0045 LEU N 3.166 H B 0041 ASP O
C B 0045 LEU N 2.190 H B 0044 GLN O
C B 0046 LYS N 3.171 H B 0044 GLN O
C B 0046 LYS N 2.205 C B 0045 LEU O
C B 0047 GLY N 2.198 C B 0046 LYS O
C B 0048 GLU N 3.144 C B 0046 LYS O
C B 0048 GLU N 2.196 C B 0047 GLY O
C B 0049 ALA N 2.813 C B 0047 GLY O
C B 0049 ALA N 2.197 C B 0048 GLU O
C B 0050 MET N 2.402 C B 0048 GLU O
C B 0050 MET N 2.199 C B 0049 ALA O
C B 0051 HIS N 2.196 C B 0050 MET O
C B 0052 GLY N 2.195 C B 0051 HIS O
C B 0053 GLN N 2.194 C B 0052 GLY O
C B 0054 VAL N 2.200 C B 0053 GLN O
C B 0055 ASP N 2.196 C B 0054 VAL O
HB_MS 2.00 3.20 2
H B 0036 ILE N 2.873 H B 0035 GLU OE1
H B 0038 ALA O 2.396 H B 0044 GLN NE2
HB_SS 2.00 3.20 1
H B 0035 GLU OE2 2.697 H B 0039 SER OG
AROMATIC 0.00 8.00 2
H B 0012 HIS 5.102 C B 0016 HIS
H B 0020 ARG 6.111 H B 0019 TRP