Complet list of 1wjc con file
Complete list of 1wjc.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 190
C A 0001 PHE C 2.427 H A 0002 LEU CA
C A 0001 PHE C 3.092 H A 0002 LEU C
C A 0001 PHE C 3.686 H A 0002 LEU CB
C A 0001 PHE C 3.655 H A 0005 ILE CD1
H A 0002 LEU C 2.425 H A 0003 ASP CA
H A 0002 LEU C 3.011 H A 0003 ASP C
H A 0002 LEU C 3.709 H A 0003 ASP CB
H A 0003 ASP C 2.421 H A 0004 GLY CA
H A 0003 ASP C 2.978 H A 0004 GLY C
H A 0004 GLY C 2.422 H A 0005 ILE CA
H A 0004 GLY C 2.981 H A 0005 ILE C
H A 0004 GLY C 3.684 H A 0005 ILE CB
H A 0005 ILE C 2.407 H A 0006 ASP CA
H A 0005 ILE C 2.869 H A 0006 ASP C
H A 0005 ILE C 3.694 H A 0006 ASP CB
H A 0005 ILE CG1 3.301 H A 0032 VAL CG1
H A 0005 ILE CD1 3.601 H A 0032 VAL CG1
H A 0006 ASP C 2.423 H A 0007 LYS CA
H A 0006 ASP C 3.029 H A 0007 LYS C
H A 0006 ASP C 3.706 H A 0007 LYS CB
H A 0007 LYS C 2.416 H A 0008 ALA CA
H A 0007 LYS C 2.956 H A 0008 ALA C
H A 0007 LYS C 3.696 H A 0008 ALA CB
H A 0008 ALA C 2.402 H A 0009 GLN CA
H A 0008 ALA C 2.932 H A 0009 GLN C
H A 0008 ALA C 3.683 H A 0009 GLN CB
H A 0008 ALA CA 3.418 H A 0026 PHE CE1
H A 0008 ALA CA 3.485 H A 0026 PHE CZ
H A 0008 ALA CB 3.615 H A 0026 PHE CD1
H A 0008 ALA CB 3.415 H A 0026 PHE CE1
H A 0008 ALA CB 3.737 H A 0036 ILE CD1
H A 0009 GLN C 2.419 H A 0010 GLU CA
H A 0009 GLN C 2.965 H A 0010 GLU C
H A 0009 GLN C 3.698 H A 0010 GLU CB
H A 0010 GLU C 2.419 H A 0011 GLU CA
H A 0010 GLU C 2.938 H A 0011 GLU C
H A 0010 GLU C 3.702 H A 0011 GLU CB
H A 0011 GLU C 2.413 H A 0012 HIS CA
H A 0011 GLU C 2.956 H A 0012 HIS C
H A 0011 GLU C 3.705 H A 0012 HIS CB
H A 0011 GLU CD 3.499 H A 0015 TYR CD2
H A 0011 GLU CD 3.291 H A 0015 TYR CE2
H A 0012 HIS C 2.415 H A 0013 GLU CA
H A 0012 HIS C 2.977 H A 0013 GLU C
H A 0012 HIS C 3.683 H A 0013 GLU CB
H A 0012 HIS CD2 3.610 C A 0016 HIS CA
H A 0012 HIS CB 3.780 H A 0036 ILE CG2
H A 0013 GLU C 2.423 H A 0014 LYS CA
H A 0013 GLU C 3.031 H A 0014 LYS C
H A 0013 GLU C 3.686 H A 0014 LYS CB
H A 0014 LYS C 2.452 H A 0015 TYR CA
H A 0014 LYS C 3.618 H A 0015 TYR C
H A 0014 LYS C 3.385 H A 0015 TYR CB
H A 0014 LYS C 3.164 H A 0015 TYR CG
H A 0014 LYS C 3.638 H A 0015 TYR CD1
H A 0014 LYS C 3.386 H A 0015 TYR CD2
H A 0014 LYS CB 3.262 H A 0015 TYR CD2
H A 0014 LYS CB 3.069 H A 0015 TYR CE2
H A 0014 LYS CB 3.611 H A 0015 TYR CZ
H A 0014 LYS CE 3.659 H A 0015 TYR CE2
H A 0014 LYS CE 3.652 H A 0015 TYR CZ
H A 0015 TYR C 2.418 C A 0016 HIS CA
H A 0015 TYR C 2.842 C A 0016 HIS C
H A 0015 TYR C 3.065 C A 0016 HIS CB
C A 0016 HIS CA 3.796 C A 0017 SER CA
C A 0016 HIS C 2.413 C A 0017 SER CA
C A 0016 HIS C 2.987 C A 0017 SER C
C A 0016 HIS C 3.677 C A 0017 SER CB
C A 0016 HIS CE1 3.766 H A 0042 LYS CD
C A 0017 SER C 2.424 C A 0018 ASN CA
C A 0017 SER C 3.079 C A 0018 ASN C
C A 0017 SER C 3.677 C A 0018 ASN CB
C A 0018 ASN C 2.424 H A 0019 TRP CA
C A 0018 ASN C 2.971 H A 0019 TRP C
C A 0018 ASN C 3.703 H A 0019 TRP CB
H A 0019 TRP C 2.414 H A 0020 ARG CA
H A 0019 TRP C 2.990 H A 0020 ARG C
H A 0019 TRP C 3.697 H A 0020 ARG CB
H A 0019 TRP CD2 3.752 H A 0020 ARG CA
H A 0019 TRP CD2 3.723 H A 0020 ARG CG
H A 0019 TRP CE2 3.395 H A 0020 ARG CG
H A 0019 TRP CE3 3.530 H A 0020 ARG CA
H A 0019 TRP CZ2 3.347 H A 0020 ARG CG
H A 0019 TRP CH2 3.617 H A 0020 ARG CG
H A 0019 TRP CA 3.756 H A 0022 MET CE
H A 0019 TRP CE3 3.790 H A 0030 PRO CA
H A 0019 TRP CZ3 3.489 H A 0030 PRO CB
H A 0019 TRP CB 3.573 H A 0033 ALA C
H A 0019 TRP CB 3.718 H A 0033 ALA CB
H A 0019 TRP CB 3.698 H A 0034 LYS CA
H A 0019 TRP CB 3.581 H A 0034 LYS CG
H A 0019 TRP CG 3.327 H A 0034 LYS CG
H A 0019 TRP CD1 3.683 H A 0034 LYS CG
H A 0019 TRP CD2 3.598 H A 0034 LYS CG
H A 0020 ARG C 2.413 H A 0021 ALA CA
H A 0020 ARG C 2.982 H A 0021 ALA C
H A 0020 ARG C 3.690 H A 0021 ALA CB
H A 0021 ALA C 2.410 H A 0022 MET CA
H A 0021 ALA C 2.955 H A 0022 MET C
H A 0021 ALA C 3.687 H A 0022 MET CB
H A 0022 MET C 2.419 H A 0023 ALA CA
H A 0022 MET C 2.959 H A 0023 ALA C
H A 0022 MET C 3.693 H A 0023 ALA CB
H A 0023 ALA C 2.424 H A 0024 SER CA
H A 0023 ALA C 3.075 H A 0024 SER C
H A 0023 ALA C 3.683 H A 0024 SER CB
H A 0024 SER C 2.429 H A 0025 ASP CA
H A 0024 SER C 2.973 H A 0025 ASP C
H A 0024 SER C 3.713 H A 0025 ASP CB
H A 0025 ASP C 2.441 H A 0026 PHE CA
H A 0025 ASP C 3.399 H A 0026 PHE C
H A 0025 ASP C 3.556 H A 0026 PHE CB
H A 0025 ASP C 3.644 H A 0026 PHE CG
H A 0025 ASP C 3.645 H A 0026 PHE CD1
H A 0025 ASP CB 3.573 H A 0026 PHE CD1
H A 0025 ASP CB 3.796 H A 0026 PHE CE1
H A 0026 PHE C 2.430 C A 0027 ASN CA
H A 0026 PHE C 2.939 C A 0027 ASN C
H A 0026 PHE C 3.034 C A 0027 ASN CB
H A 0026 PHE CB 3.772 C A 0028 LEU CG
H A 0026 PHE CB 3.555 C A 0028 LEU CD1
C A 0027 ASN C 2.441 C A 0028 LEU CA
C A 0027 ASN C 3.398 C A 0028 LEU C
C A 0027 ASN C 3.549 C A 0028 LEU CB
C A 0027 ASN C 3.689 C A 0028 LEU CG
C A 0028 LEU CA 2.936 C A 0029 PRO CD
C A 0028 LEU C 2.448 C A 0029 PRO CA
C A 0028 LEU C 3.025 C A 0029 PRO C
C A 0028 LEU C 3.665 C A 0029 PRO CB
C A 0028 LEU C 3.639 C A 0029 PRO CG
C A 0028 LEU C 2.492 C A 0029 PRO CD
C A 0028 LEU CB 3.562 C A 0029 PRO CD
C A 0029 PRO CA 2.882 H A 0030 PRO CD
C A 0029 PRO C 2.453 H A 0030 PRO CA
C A 0029 PRO C 2.955 H A 0030 PRO C
C A 0029 PRO C 3.653 H A 0030 PRO CB
C A 0029 PRO C 3.657 H A 0030 PRO CG
C A 0029 PRO C 2.473 H A 0030 PRO CD
C A 0029 PRO CB 3.535 H A 0030 PRO CD
H A 0030 PRO C 2.415 H A 0031 VAL CA
H A 0030 PRO C 2.944 H A 0031 VAL C
H A 0030 PRO C 3.685 H A 0031 VAL CB
H A 0031 VAL CA 3.778 H A 0032 VAL CA
H A 0031 VAL C 2.379 H A 0032 VAL CA
H A 0031 VAL C 2.955 H A 0032 VAL C
H A 0031 VAL C 3.670 H A 0032 VAL CB
H A 0032 VAL C 2.412 H A 0033 ALA CA
H A 0032 VAL C 3.010 H A 0033 ALA C
H A 0032 VAL C 3.684 H A 0033 ALA CB
H A 0033 ALA C 2.413 H A 0034 LYS CA
H A 0033 ALA C 3.012 H A 0034 LYS C
H A 0033 ALA C 3.701 H A 0034 LYS CB
H A 0034 LYS C 2.409 H A 0035 GLU CA
H A 0034 LYS C 2.937 H A 0035 GLU C
H A 0034 LYS C 3.696 H A 0035 GLU CB
H A 0035 GLU C 2.410 H A 0036 ILE CA
H A 0035 GLU C 2.941 H A 0036 ILE C
H A 0035 GLU C 3.695 H A 0036 ILE CB
H A 0036 ILE C 2.409 H A 0037 VAL CA
H A 0036 ILE C 2.930 H A 0037 VAL C
H A 0036 ILE C 3.694 H A 0037 VAL CB
H A 0037 VAL C 2.423 H A 0038 ALA CA
H A 0037 VAL C 3.002 H A 0038 ALA C
H A 0037 VAL C 3.681 H A 0038 ALA CB
H A 0038 ALA C 2.415 H A 0039 SER CA
H A 0038 ALA C 3.121 H A 0039 SER C
H A 0038 ALA C 3.666 H A 0039 SER CB
H A 0039 SER C 2.426 C A 0040 CYS CA
H A 0039 SER C 3.174 C A 0040 CYS C
H A 0039 SER C 3.657 C A 0040 CYS CB
C A 0040 CYS C 2.424 H A 0041 ASP CA
C A 0040 CYS C 2.980 H A 0041 ASP C
C A 0040 CYS C 3.691 H A 0041 ASP CB
H A 0041 ASP C 2.420 H A 0042 LYS CA
H A 0041 ASP C 3.055 H A 0042 LYS C
H A 0041 ASP C 3.690 H A 0042 LYS CB
H A 0042 LYS C 2.423 H A 0043 CYS CA
H A 0042 LYS C 3.196 H A 0043 CYS C
H A 0042 LYS C 3.649 H A 0043 CYS CB
H A 0043 CYS C 2.420 H A 0044 GLN CA
H A 0043 CYS C 3.106 H A 0044 GLN C
H A 0043 CYS C 3.679 H A 0044 GLN CB
H A 0044 GLN C 2.410 C A 0045 LEU CA
H A 0044 GLN C 3.042 C A 0045 LEU C
H A 0044 GLN C 3.689 C A 0045 LEU CB
C A 0045 LEU C 2.442 C A 0046 LYS CA
C A 0045 LEU C 3.420 C A 0046 LYS C
C A 0045 LEU C 3.512 C A 0046 LYS CB
C A 0046 LYS C 2.421 C A 0047 GLY CA
C A 0046 LYS C 3.634 C A 0047 GLY C
CHARGE_ATTR 2.00 12.00 50
H A 0003 ASP OD1 7.434 H A 0007 LYS NZ
H A 0003 ASP OD2 7.089 H A 0007 LYS NZ
H A 0006 ASP OD1 9.436 H A 0007 LYS NZ
H A 0006 ASP OD2 7.983 H A 0007 LYS NZ
H A 0010 GLU OE1 8.806 H A 0007 LYS NZ
H A 0010 GLU OE2 10.50 H A 0007 LYS NZ
H A 0010 GLU OE1 6.550 H A 0014 LYS NZ
H A 0010 GLU OE2 4.865 H A 0014 LYS NZ
H A 0011 GLU OE1 11.76 H A 0007 LYS NZ
H A 0011 GLU OE1 9.477 H A 0012 HIS ND1
H A 0011 GLU OE1 10.49 H A 0012 HIS NE2
H A 0011 GLU OE2 9.047 H A 0012 HIS ND1
H A 0011 GLU OE2 10.00 H A 0012 HIS NE2
H A 0011 GLU OE1 5.198 H A 0014 LYS NZ
H A 0011 GLU OE2 6.447 H A 0014 LYS NZ
H A 0011 GLU OE1 11.51 C A 0016 HIS ND1
H A 0011 GLU OE1 11.78 C A 0016 HIS NE2
H A 0011 GLU OE2 10.90 C A 0016 HIS ND1
H A 0011 GLU OE2 11.30 C A 0016 HIS NE2
H A 0013 GLU OE1 9.110 H A 0012 HIS ND1
H A 0013 GLU OE1 8.505 H A 0012 HIS NE2
H A 0013 GLU OE2 10.23 H A 0012 HIS ND1
H A 0013 GLU OE2 9.226 H A 0012 HIS NE2
H A 0013 GLU OE1 9.569 H A 0014 LYS NZ
H A 0013 GLU OE2 10.10 H A 0014 LYS NZ
H A 0013 GLU OE1 8.298 C A 0016 HIS ND1
H A 0013 GLU OE1 7.637 C A 0016 HIS NE2
H A 0013 GLU OE2 8.227 C A 0016 HIS ND1
H A 0013 GLU OE2 7.042 C A 0016 HIS NE2
H A 0013 GLU OE1 9.408 H A 0042 LYS NZ
H A 0013 GLU OE2 8.117 H A 0042 LYS NZ
H A 0025 ASP OD1 11.63 H A 0012 HIS ND1
H A 0025 ASP OD2 9.822 H A 0012 HIS ND1
H A 0025 ASP OD2 11.46 H A 0012 HIS NE2
H A 0025 ASP OD1 11.77 H A 0014 LYS NZ
H A 0025 ASP OD2 10.15 H A 0014 LYS NZ
H A 0035 GLU OE1 10.22 H A 0012 HIS ND1
H A 0035 GLU OE1 11.32 H A 0012 HIS NE2
H A 0035 GLU OE2 9.261 H A 0012 HIS ND1
H A 0035 GLU OE2 10.08 H A 0012 HIS NE2
H A 0035 GLU OE2 11.38 H A 0034 LYS NZ
H A 0041 ASP OD1 11.10 H A 0012 HIS ND1
H A 0041 ASP OD1 9.882 H A 0012 HIS NE2
H A 0041 ASP OD2 10.75 H A 0012 HIS NE2
H A 0041 ASP OD1 10.16 C A 0016 HIS ND1
H A 0041 ASP OD1 11.07 C A 0016 HIS NE2
H A 0041 ASP OD2 10.51 C A 0016 HIS ND1
H A 0041 ASP OD2 11.00 C A 0016 HIS NE2
H A 0041 ASP OD1 9.190 H A 0042 LYS NZ
H A 0041 ASP OD2 8.137 H A 0042 LYS NZ
CHARGE_REPU 2.00 12.00 47
H A 0003 ASP OD1 7.304 H A 0006 ASP OD1
H A 0003 ASP OD1 6.443 H A 0006 ASP OD2
H A 0003 ASP OD2 9.225 H A 0006 ASP OD1
H A 0003 ASP OD2 8.251 H A 0006 ASP OD2
H A 0006 ASP OD1 7.865 H A 0010 GLU OE1
H A 0006 ASP OD1 9.841 H A 0010 GLU OE2
H A 0006 ASP OD2 7.281 H A 0010 GLU OE1
H A 0006 ASP OD2 9.332 H A 0010 GLU OE2
H A 0006 ASP OD1 9.574 H A 0013 GLU OE1
H A 0006 ASP OD1 11.57 H A 0013 GLU OE2
H A 0006 ASP OD2 10.51 H A 0013 GLU OE1
H A 0006 ASP OD1 9.975 H A 0035 GLU OE1
H A 0006 ASP OD1 11.11 H A 0035 GLU OE2
H A 0006 ASP OD2 11.93 H A 0035 GLU OE1
H A 0010 GLU OE1 7.596 H A 0011 GLU OE1
H A 0010 GLU OE1 9.623 H A 0011 GLU OE2
H A 0010 GLU OE2 7.272 H A 0011 GLU OE1
H A 0010 GLU OE2 9.174 H A 0011 GLU OE2
H A 0010 GLU OE1 7.359 H A 0013 GLU OE1
H A 0010 GLU OE1 8.882 H A 0013 GLU OE2
H A 0010 GLU OE2 7.209 H A 0013 GLU OE1
H A 0010 GLU OE2 8.301 H A 0013 GLU OE2
H A 0010 GLU OE1 11.80 H A 0025 ASP OD2
H A 0011 GLU OE1 10.20 H A 0013 GLU OE1
H A 0011 GLU OE1 11.38 H A 0013 GLU OE2
H A 0011 GLU OE2 11.18 H A 0013 GLU OE1
H A 0011 GLU OE1 6.973 H A 0025 ASP OD1
H A 0011 GLU OE1 5.111 H A 0025 ASP OD2
H A 0011 GLU OE2 6.155 H A 0025 ASP OD1
H A 0011 GLU OE2 4.357 H A 0025 ASP OD2
H A 0012 HIS ND1 5.329 C A 0016 HIS ND1
H A 0012 HIS ND1 7.184 C A 0016 HIS NE2
H A 0012 HIS NE2 3.255 C A 0016 HIS ND1
H A 0012 HIS NE2 5.231 C A 0016 HIS NE2
H A 0012 HIS ND1 11.38 H A 0042 LYS NZ
H A 0012 HIS NE2 9.283 H A 0042 LYS NZ
H A 0012 HIS ND1 11.91 C A 0046 LYS NZ
H A 0012 HIS NE2 11.03 C A 0046 LYS NZ
C A 0016 HIS ND1 6.752 H A 0042 LYS NZ
C A 0016 HIS NE2 5.545 H A 0042 LYS NZ
C A 0016 HIS ND1 10.64 C A 0046 LYS NZ
H A 0020 ARG NH1 11.67 H A 0034 LYS NZ
H A 0020 ARG NH2 10.35 H A 0034 LYS NZ
H A 0020 ARG NH2 10.63 C A 0046 LYS NZ
H A 0035 GLU OE1 11.46 H A 0041 ASP OD1
H A 0035 GLU OE2 9.503 H A 0041 ASP OD1
H A 0035 GLU OE2 11.04 H A 0041 ASP OD2
HB_MM 2.00 3.20 91
H A 0002 LEU N 2.199 C A 0001 PHE O
H A 0003 ASP N 2.191 H A 0002 LEU O
H A 0004 GLY N 2.192 H A 0003 ASP O
H A 0005 ILE N 2.193 H A 0004 GLY O
H A 0006 ASP N 2.921 H A 0002 LEU O
H A 0006 ASP N 3.188 H A 0003 ASP O
H A 0006 ASP N 2.189 H A 0005 ILE O
H A 0007 LYS N 3.116 H A 0004 GLY O
H A 0007 LYS N 3.127 H A 0005 ILE O
H A 0007 LYS N 2.197 H A 0006 ASP O
H A 0008 ALA N 2.864 H A 0004 GLY O
H A 0008 ALA N 3.107 H A 0005 ILE O
H A 0008 ALA N 2.199 H A 0007 LYS O
H A 0009 GLN N 2.432 H A 0005 ILE O
H A 0009 GLN N 3.162 H A 0007 LYS O
H A 0009 GLN N 2.191 H A 0008 ALA O
H A 0010 GLU N 3.056 H A 0007 LYS O
H A 0010 GLU N 2.197 H A 0009 GLN O
H A 0011 GLU N 3.076 H A 0008 ALA O
H A 0011 GLU N 2.197 H A 0010 GLU O
H A 0012 HIS N 2.932 H A 0008 ALA O
H A 0012 HIS N 3.056 H A 0009 GLN O
H A 0012 HIS N 2.194 H A 0011 GLU O
H A 0013 GLU N 3.026 H A 0009 GLN O
H A 0013 GLU N 3.183 H A 0010 GLU O
H A 0013 GLU N 2.182 H A 0012 HIS O
H A 0014 LYS N 3.014 H A 0010 GLU O
H A 0014 LYS N 2.193 H A 0013 GLU O
H A 0015 TYR N 2.203 H A 0014 LYS O
C A 0016 HIS N 2.343 H A 0012 HIS O
C A 0016 HIS N 2.185 H A 0015 TYR O
C A 0017 SER N 2.944 H A 0015 TYR O
C A 0017 SER N 2.199 C A 0016 HIS O
C A 0018 ASN N 2.199 C A 0017 SER O
H A 0019 TRP N 2.196 C A 0018 ASN O
H A 0020 ARG N 3.004 C A 0018 ASN O
H A 0020 ARG N 2.192 H A 0019 TRP O
H A 0021 ALA N 3.056 C A 0018 ASN O
H A 0021 ALA N 2.196 H A 0020 ARG O
H A 0022 MET N 2.195 H A 0021 ALA O
H A 0023 ALA N 2.811 H A 0019 TRP O
H A 0023 ALA N 2.196 H A 0022 MET O
H A 0024 SER N 2.970 H A 0020 ARG O
H A 0024 SER N 3.178 H A 0021 ALA O
H A 0024 SER N 2.196 H A 0023 ALA O
H A 0025 ASP N 2.756 H A 0021 ALA O
H A 0025 ASP N 3.193 H A 0022 MET O
H A 0025 ASP N 2.197 H A 0024 SER O
H A 0026 PHE N 3.022 H A 0022 MET O
H A 0026 PHE N 2.201 H A 0025 ASP O
C A 0027 ASN N 2.471 H A 0023 ALA O
C A 0027 ASN N 2.195 H A 0026 PHE O
C A 0028 LEU N 2.972 H A 0023 ALA O
C A 0028 LEU N 3.196 H A 0026 PHE O
C A 0028 LEU N 2.195 C A 0027 ASN O
C A 0029 PRO N 2.203 C A 0028 LEU O
H A 0030 PRO N 2.205 C A 0029 PRO O
H A 0031 VAL N 2.825 C A 0029 PRO O
H A 0031 VAL N 2.191 H A 0030 PRO O
H A 0032 VAL N 2.965 C A 0029 PRO O
H A 0032 VAL N 2.181 H A 0031 VAL O
H A 0033 ALA N 2.193 H A 0032 VAL O
H A 0034 LYS N 2.453 H A 0030 PRO O
H A 0034 LYS N 2.195 H A 0033 ALA O
H A 0035 GLU N 2.850 H A 0031 VAL O
H A 0035 GLU N 2.190 H A 0034 LYS O
H A 0036 ILE N 2.187 H A 0035 GLU O
H A 0037 VAL N 3.032 H A 0034 LYS O
H A 0037 VAL N 2.193 H A 0036 ILE O
H A 0038 ALA N 3.086 H A 0034 LYS O
H A 0038 ALA N 2.956 H A 0035 GLU O
H A 0038 ALA N 2.199 H A 0037 VAL O
H A 0039 SER N 3.073 H A 0035 GLU O
H A 0039 SER N 2.964 H A 0036 ILE O
H A 0039 SER N 3.150 H A 0037 VAL O
H A 0039 SER N 2.188 H A 0038 ALA O
C A 0040 CYS N 3.091 H A 0036 ILE O
C A 0040 CYS N 2.943 H A 0037 VAL O
C A 0040 CYS N 2.199 H A 0039 SER O
H A 0041 ASP N 2.195 C A 0040 CYS O
H A 0042 LYS N 3.112 C A 0040 CYS O
H A 0042 LYS N 2.195 H A 0041 ASP O
H A 0043 CYS N 3.181 C A 0040 CYS O
H A 0043 CYS N 2.194 H A 0042 LYS O
H A 0044 GLN N 2.805 C A 0040 CYS O
H A 0044 GLN N 2.197 H A 0043 CYS O
C A 0045 LEU N 3.103 H A 0041 ASP O
C A 0045 LEU N 2.192 H A 0044 GLN O
C A 0046 LYS N 2.956 H A 0044 GLN O
C A 0046 LYS N 2.205 C A 0045 LEU O
C A 0047 GLY N 2.183 C A 0046 LYS O
HB_SS 2.00 3.20 1
H A 0035 GLU OE2 2.709 H A 0039 SER OG
AROMATIC 0.00 8.00 4
H A 0014 LYS 5.968 H A 0015 TYR
H A 0012 HIS 5.095 C A 0016 HIS
H A 0042 LYS 6.577 C A 0016 HIS
H A 0020 ARG 6.672 H A 0019 TRP
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 22
C A 0001 PHE CE2 3.289 C B 0001 PHE CE2
C A 0001 PHE CE2 3.725 C B 0001 PHE CZ
C A 0001 PHE CZ 3.728 C B 0001 PHE CE2
C A 0001 PHE CZ 3.664 C B 0001 PHE CZ
C A 0001 PHE CG 3.578 C B 0029 PRO CG
C A 0001 PHE CD2 3.602 C B 0029 PRO CG
C A 0001 PHE CE2 3.355 H B 0032 VAL CG2
H A 0002 LEU CD2 3.695 H B 0031 VAL CG2
H A 0005 ILE CD1 3.512 H B 0031 VAL CG1
H A 0005 ILE CD1 3.661 H B 0031 VAL CG2
C A 0029 PRO CG 3.567 C B 0001 PHE CG
C A 0029 PRO CG 3.596 C B 0001 PHE CD2
H A 0031 VAL CG2 3.690 H B 0002 LEU CD2
H A 0031 VAL CG1 3.506 H B 0005 ILE CD1
H A 0031 VAL CG2 3.649 H B 0005 ILE CD1
H A 0031 VAL CG1 3.717 H B 0035 GLU CB
H A 0031 VAL CG1 3.538 H B 0035 GLU CG
H A 0032 VAL CG2 3.347 C B 0001 PHE CE2
H A 0035 GLU CB 3.716 H B 0031 VAL CG1
H A 0035 GLU CG 3.533 H B 0031 VAL CG1
H A 0038 ALA CB 3.573 H B 0038 ALA CB
C A 0045 LEU CD2 3.480 C B 0045 LEU CD2
CHARGE_ATTR 2.00 12.00 10
H A 0006 ASP OD1 11.77 H B 0034 LYS NZ
H A 0034 LYS NZ 11.75 H B 0006 ASP OD1
H A 0034 LYS NZ 5.308 H B 0035 GLU OE1
H A 0034 LYS NZ 4.905 H B 0035 GLU OE2
H A 0034 LYS NZ 9.362 H B 0041 ASP OD1
H A 0034 LYS NZ 10.36 H B 0041 ASP OD2
H A 0035 GLU OE1 5.320 H B 0034 LYS NZ
H A 0035 GLU OE2 4.916 H B 0034 LYS NZ
H A 0041 ASP OD1 9.365 H B 0034 LYS NZ
H A 0041 ASP OD2 10.36 H B 0034 LYS NZ
CHARGE_REPU 2.00 12.00 4
H A 0035 GLU OE1 9.128 H B 0035 GLU OE1
H A 0035 GLU OE1 9.029 H B 0035 GLU OE2
H A 0035 GLU OE2 9.028 H B 0035 GLU OE1
H A 0035 GLU OE2 8.447 H B 0035 GLU OE2
HB_SS 2.00 3.20 1
H A 0044 GLN NE2 3.097 H B 0044 GLN OE1
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 190
C B 0001 PHE C 2.426 H B 0002 LEU CA
C B 0001 PHE C 3.092 H B 0002 LEU C
C B 0001 PHE C 3.686 H B 0002 LEU CB
C B 0001 PHE C 3.655 H B 0005 ILE CD1
H B 0002 LEU C 2.426 H B 0003 ASP CA
H B 0002 LEU C 3.012 H B 0003 ASP C
H B 0002 LEU C 3.709 H B 0003 ASP CB
H B 0003 ASP C 2.420 H B 0004 GLY CA
H B 0003 ASP C 2.977 H B 0004 GLY C
H B 0004 GLY C 2.422 H B 0005 ILE CA
H B 0004 GLY C 2.981 H B 0005 ILE C
H B 0004 GLY C 3.684 H B 0005 ILE CB
H B 0005 ILE C 2.406 H B 0006 ASP CA
H B 0005 ILE C 2.869 H B 0006 ASP C
H B 0005 ILE C 3.694 H B 0006 ASP CB
H B 0005 ILE CG1 3.300 H B 0032 VAL CG1
H B 0005 ILE CD1 3.600 H B 0032 VAL CG1
H B 0006 ASP C 2.422 H B 0007 LYS CA
H B 0006 ASP C 3.028 H B 0007 LYS C
H B 0006 ASP C 3.706 H B 0007 LYS CB
H B 0007 LYS C 2.416 H B 0008 ALA CA
H B 0007 LYS C 2.956 H B 0008 ALA C
H B 0007 LYS C 3.696 H B 0008 ALA CB
H B 0008 ALA C 2.402 H B 0009 GLN CA
H B 0008 ALA C 2.933 H B 0009 GLN C
H B 0008 ALA C 3.683 H B 0009 GLN CB
H B 0008 ALA CA 3.418 H B 0026 PHE CE1
H B 0008 ALA CA 3.486 H B 0026 PHE CZ
H B 0008 ALA CB 3.616 H B 0026 PHE CD1
H B 0008 ALA CB 3.414 H B 0026 PHE CE1
H B 0008 ALA CB 3.737 H B 0036 ILE CD1
H B 0009 GLN C 2.419 H B 0010 GLU CA
H B 0009 GLN C 2.966 H B 0010 GLU C
H B 0009 GLN C 3.699 H B 0010 GLU CB
H B 0010 GLU C 2.418 H B 0011 GLU CA
H B 0010 GLU C 2.938 H B 0011 GLU C
H B 0010 GLU C 3.702 H B 0011 GLU CB
H B 0011 GLU C 2.413 H B 0012 HIS CA
H B 0011 GLU C 2.953 H B 0012 HIS C
H B 0011 GLU C 3.704 H B 0012 HIS CB
H B 0011 GLU CD 3.499 H B 0015 TYR CD2
H B 0011 GLU CD 3.291 H B 0015 TYR CE2
H B 0012 HIS C 2.416 H B 0013 GLU CA
H B 0012 HIS C 2.977 H B 0013 GLU C
H B 0012 HIS C 3.684 H B 0013 GLU CB
H B 0012 HIS CD2 3.610 C B 0016 HIS CA
H B 0012 HIS CB 3.781 H B 0036 ILE CG2
H B 0013 GLU C 2.423 H B 0014 LYS CA
H B 0013 GLU C 3.031 H B 0014 LYS C
H B 0013 GLU C 3.687 H B 0014 LYS CB
H B 0014 LYS C 2.451 H B 0015 TYR CA
H B 0014 LYS C 3.617 H B 0015 TYR C
H B 0014 LYS C 3.385 H B 0015 TYR CB
H B 0014 LYS C 3.164 H B 0015 TYR CG
H B 0014 LYS C 3.638 H B 0015 TYR CD1
H B 0014 LYS C 3.386 H B 0015 TYR CD2
H B 0014 LYS CB 3.262 H B 0015 TYR CD2
H B 0014 LYS CB 3.069 H B 0015 TYR CE2
H B 0014 LYS CB 3.611 H B 0015 TYR CZ
H B 0014 LYS CE 3.660 H B 0015 TYR CE2
H B 0014 LYS CE 3.652 H B 0015 TYR CZ
H B 0015 TYR C 2.418 C B 0016 HIS CA
H B 0015 TYR C 2.842 C B 0016 HIS C
H B 0015 TYR C 3.064 C B 0016 HIS CB
C B 0016 HIS CA 3.796 C B 0017 SER CA
C B 0016 HIS C 2.413 C B 0017 SER CA
C B 0016 HIS C 2.987 C B 0017 SER C
C B 0016 HIS C 3.677 C B 0017 SER CB
C B 0016 HIS CE1 3.766 H B 0042 LYS CD
C B 0017 SER C 2.423 C B 0018 ASN CA
C B 0017 SER C 3.078 C B 0018 ASN C
C B 0017 SER C 3.677 C B 0018 ASN CB
C B 0018 ASN C 2.425 H B 0019 TRP CA
C B 0018 ASN C 2.970 H B 0019 TRP C
C B 0018 ASN C 3.703 H B 0019 TRP CB
H B 0019 TRP C 2.415 H B 0020 ARG CA
H B 0019 TRP C 2.990 H B 0020 ARG C
H B 0019 TRP C 3.696 H B 0020 ARG CB
H B 0019 TRP CD2 3.753 H B 0020 ARG CA
H B 0019 TRP CD2 3.721 H B 0020 ARG CG
H B 0019 TRP CE2 3.394 H B 0020 ARG CG
H B 0019 TRP CE3 3.531 H B 0020 ARG CA
H B 0019 TRP CZ2 3.346 H B 0020 ARG CG
H B 0019 TRP CH2 3.615 H B 0020 ARG CG
H B 0019 TRP CA 3.756 H B 0022 MET CE
H B 0019 TRP CE3 3.791 H B 0030 PRO CA
H B 0019 TRP CZ3 3.490 H B 0030 PRO CB
H B 0019 TRP CB 3.572 H B 0033 ALA C
H B 0019 TRP CB 3.717 H B 0033 ALA CB
H B 0019 TRP CB 3.698 H B 0034 LYS CA
H B 0019 TRP CB 3.581 H B 0034 LYS CG
H B 0019 TRP CG 3.326 H B 0034 LYS CG
H B 0019 TRP CD1 3.681 H B 0034 LYS CG
H B 0019 TRP CD2 3.598 H B 0034 LYS CG
H B 0020 ARG C 2.414 H B 0021 ALA CA
H B 0020 ARG C 2.983 H B 0021 ALA C
H B 0020 ARG C 3.690 H B 0021 ALA CB
H B 0021 ALA C 2.410 H B 0022 MET CA
H B 0021 ALA C 2.957 H B 0022 MET C
H B 0021 ALA C 3.687 H B 0022 MET CB
H B 0022 MET C 2.420 H B 0023 ALA CA
H B 0022 MET C 2.958 H B 0023 ALA C
H B 0022 MET C 3.693 H B 0023 ALA CB
H B 0023 ALA C 2.424 H B 0024 SER CA
H B 0023 ALA C 3.075 H B 0024 SER C
H B 0023 ALA C 3.682 H B 0024 SER CB
H B 0024 SER C 2.430 H B 0025 ASP CA
H B 0024 SER C 2.973 H B 0025 ASP C
H B 0024 SER C 3.713 H B 0025 ASP CB
H B 0025 ASP C 2.441 H B 0026 PHE CA
H B 0025 ASP C 3.399 H B 0026 PHE C
H B 0025 ASP C 3.555 H B 0026 PHE CB
H B 0025 ASP C 3.644 H B 0026 PHE CG
H B 0025 ASP C 3.645 H B 0026 PHE CD1
H B 0025 ASP CB 3.574 H B 0026 PHE CD1
H B 0025 ASP CB 3.797 H B 0026 PHE CE1
H B 0026 PHE C 2.428 C B 0027 ASN CA
H B 0026 PHE C 2.939 C B 0027 ASN C
H B 0026 PHE C 3.033 C B 0027 ASN CB
H B 0026 PHE CB 3.772 C B 0028 LEU CG
H B 0026 PHE CB 3.555 C B 0028 LEU CD1
C B 0027 ASN C 2.442 C B 0028 LEU CA
C B 0027 ASN C 3.397 C B 0028 LEU C
C B 0027 ASN C 3.549 C B 0028 LEU CB
C B 0027 ASN C 3.688 C B 0028 LEU CG
C B 0028 LEU CA 2.937 C B 0029 PRO CD
C B 0028 LEU C 2.448 C B 0029 PRO CA
C B 0028 LEU C 3.026 C B 0029 PRO C
C B 0028 LEU C 3.666 C B 0029 PRO CB
C B 0028 LEU C 3.639 C B 0029 PRO CG
C B 0028 LEU C 2.494 C B 0029 PRO CD
C B 0028 LEU CB 3.565 C B 0029 PRO CD
C B 0029 PRO CA 2.883 H B 0030 PRO CD
C B 0029 PRO C 2.453 H B 0030 PRO CA
C B 0029 PRO C 2.954 H B 0030 PRO C
C B 0029 PRO C 3.652 H B 0030 PRO CB
C B 0029 PRO C 3.657 H B 0030 PRO CG
C B 0029 PRO C 2.473 H B 0030 PRO CD
C B 0029 PRO CB 3.535 H B 0030 PRO CD
H B 0030 PRO C 2.416 H B 0031 VAL CA
H B 0030 PRO C 2.944 H B 0031 VAL C
H B 0030 PRO C 3.686 H B 0031 VAL CB
H B 0031 VAL CA 3.779 H B 0032 VAL CA
H B 0031 VAL C 2.378 H B 0032 VAL CA
H B 0031 VAL C 2.954 H B 0032 VAL C
H B 0031 VAL C 3.670 H B 0032 VAL CB
H B 0032 VAL C 2.412 H B 0033 ALA CA
H B 0032 VAL C 3.009 H B 0033 ALA C
H B 0032 VAL C 3.684 H B 0033 ALA CB
H B 0033 ALA C 2.413 H B 0034 LYS CA
H B 0033 ALA C 3.014 H B 0034 LYS C
H B 0033 ALA C 3.701 H B 0034 LYS CB
H B 0034 LYS C 2.409 H B 0035 GLU CA
H B 0034 LYS C 2.937 H B 0035 GLU C
H B 0034 LYS C 3.696 H B 0035 GLU CB
H B 0035 GLU C 2.410 H B 0036 ILE CA
H B 0035 GLU C 2.940 H B 0036 ILE C
H B 0035 GLU C 3.694 H B 0036 ILE CB
H B 0036 ILE C 2.410 H B 0037 VAL CA
H B 0036 ILE C 2.931 H B 0037 VAL C
H B 0036 ILE C 3.696 H B 0037 VAL CB
H B 0037 VAL C 2.424 H B 0038 ALA CA
H B 0037 VAL C 3.002 H B 0038 ALA C
H B 0037 VAL C 3.683 H B 0038 ALA CB
H B 0038 ALA C 2.416 H B 0039 SER CA
H B 0038 ALA C 3.120 H B 0039 SER C
H B 0038 ALA C 3.667 H B 0039 SER CB
H B 0039 SER C 2.425 C B 0040 CYS CA
H B 0039 SER C 3.174 C B 0040 CYS C
H B 0039 SER C 3.656 C B 0040 CYS CB
C B 0040 CYS C 2.424 H B 0041 ASP CA
C B 0040 CYS C 2.980 H B 0041 ASP C
C B 0040 CYS C 3.692 H B 0041 ASP CB
H B 0041 ASP C 2.420 H B 0042 LYS CA
H B 0041 ASP C 3.056 H B 0042 LYS C
H B 0041 ASP C 3.689 H B 0042 LYS CB
H B 0042 LYS C 2.422 H B 0043 CYS CA
H B 0042 LYS C 3.195 H B 0043 CYS C
H B 0042 LYS C 3.648 H B 0043 CYS CB
H B 0043 CYS C 2.420 H B 0044 GLN CA
H B 0043 CYS C 3.105 H B 0044 GLN C
H B 0043 CYS C 3.680 H B 0044 GLN CB
H B 0044 GLN C 2.407 C B 0045 LEU CA
H B 0044 GLN C 3.034 C B 0045 LEU C
H B 0044 GLN C 3.687 C B 0045 LEU CB
C B 0045 LEU C 2.442 C B 0046 LYS CA
C B 0045 LEU C 3.425 C B 0046 LYS C
C B 0045 LEU C 3.507 C B 0046 LYS CB
C B 0046 LYS C 2.421 C B 0047 GLY CA
C B 0046 LYS C 3.633 C B 0047 GLY C
CHARGE_ATTR 2.00 12.00 50
H B 0003 ASP OD1 7.435 H B 0007 LYS NZ
H B 0003 ASP OD2 7.090 H B 0007 LYS NZ
H B 0006 ASP OD1 9.436 H B 0007 LYS NZ
H B 0006 ASP OD2 7.983 H B 0007 LYS NZ
H B 0010 GLU OE1 8.806 H B 0007 LYS NZ
H B 0010 GLU OE2 10.50 H B 0007 LYS NZ
H B 0010 GLU OE1 6.549 H B 0014 LYS NZ
H B 0010 GLU OE2 4.866 H B 0014 LYS NZ
H B 0011 GLU OE1 11.76 H B 0007 LYS NZ
H B 0011 GLU OE1 9.477 H B 0012 HIS ND1
H B 0011 GLU OE1 10.49 H B 0012 HIS NE2
H B 0011 GLU OE2 9.047 H B 0012 HIS ND1
H B 0011 GLU OE2 10.00 H B 0012 HIS NE2
H B 0011 GLU OE1 5.199 H B 0014 LYS NZ
H B 0011 GLU OE2 6.447 H B 0014 LYS NZ
H B 0011 GLU OE1 11.51 C B 0016 HIS ND1
H B 0011 GLU OE1 11.78 C B 0016 HIS NE2
H B 0011 GLU OE2 10.90 C B 0016 HIS ND1
H B 0011 GLU OE2 11.30 C B 0016 HIS NE2
H B 0013 GLU OE1 9.109 H B 0012 HIS ND1
H B 0013 GLU OE1 8.505 H B 0012 HIS NE2
H B 0013 GLU OE2 10.24 H B 0012 HIS ND1
H B 0013 GLU OE2 9.227 H B 0012 HIS NE2
H B 0013 GLU OE1 9.569 H B 0014 LYS NZ
H B 0013 GLU OE2 10.10 H B 0014 LYS NZ
H B 0013 GLU OE1 8.297 C B 0016 HIS ND1
H B 0013 GLU OE1 7.637 C B 0016 HIS NE2
H B 0013 GLU OE2 8.228 C B 0016 HIS ND1
H B 0013 GLU OE2 7.044 C B 0016 HIS NE2
H B 0013 GLU OE1 9.407 H B 0042 LYS NZ
H B 0013 GLU OE2 8.117 H B 0042 LYS NZ
H B 0025 ASP OD1 11.63 H B 0012 HIS ND1
H B 0025 ASP OD2 9.822 H B 0012 HIS ND1
H B 0025 ASP OD2 11.46 H B 0012 HIS NE2
H B 0025 ASP OD1 11.77 H B 0014 LYS NZ
H B 0025 ASP OD2 10.15 H B 0014 LYS NZ
H B 0035 GLU OE1 10.22 H B 0012 HIS ND1
H B 0035 GLU OE1 11.32 H B 0012 HIS NE2
H B 0035 GLU OE2 9.261 H B 0012 HIS ND1
H B 0035 GLU OE2 10.08 H B 0012 HIS NE2
H B 0035 GLU OE2 11.38 H B 0034 LYS NZ
H B 0041 ASP OD1 11.10 H B 0012 HIS ND1
H B 0041 ASP OD1 9.882 H B 0012 HIS NE2
H B 0041 ASP OD2 10.75 H B 0012 HIS NE2
H B 0041 ASP OD1 10.16 C B 0016 HIS ND1
H B 0041 ASP OD1 11.07 C B 0016 HIS NE2
H B 0041 ASP OD2 10.51 C B 0016 HIS ND1
H B 0041 ASP OD2 11.00 C B 0016 HIS NE2
H B 0041 ASP OD1 9.190 H B 0042 LYS NZ
H B 0041 ASP OD2 8.138 H B 0042 LYS NZ
CHARGE_REPU 2.00 12.00 47
H B 0003 ASP OD1 7.304 H B 0006 ASP OD1
H B 0003 ASP OD1 6.443 H B 0006 ASP OD2
H B 0003 ASP OD2 9.225 H B 0006 ASP OD1
H B 0003 ASP OD2 8.251 H B 0006 ASP OD2
H B 0006 ASP OD1 7.866 H B 0010 GLU OE1
H B 0006 ASP OD1 9.842 H B 0010 GLU OE2
H B 0006 ASP OD2 7.281 H B 0010 GLU OE1
H B 0006 ASP OD2 9.332 H B 0010 GLU OE2
H B 0006 ASP OD1 9.575 H B 0013 GLU OE1
H B 0006 ASP OD1 11.57 H B 0013 GLU OE2
H B 0006 ASP OD2 10.51 H B 0013 GLU OE1
H B 0006 ASP OD1 9.975 H B 0035 GLU OE1
H B 0006 ASP OD1 11.11 H B 0035 GLU OE2
H B 0006 ASP OD2 11.93 H B 0035 GLU OE1
H B 0010 GLU OE1 7.596 H B 0011 GLU OE1
H B 0010 GLU OE1 9.623 H B 0011 GLU OE2
H B 0010 GLU OE2 7.272 H B 0011 GLU OE1
H B 0010 GLU OE2 9.174 H B 0011 GLU OE2
H B 0010 GLU OE1 7.359 H B 0013 GLU OE1
H B 0010 GLU OE1 8.881 H B 0013 GLU OE2
H B 0010 GLU OE2 7.210 H B 0013 GLU OE1
H B 0010 GLU OE2 8.301 H B 0013 GLU OE2
H B 0010 GLU OE1 11.80 H B 0025 ASP OD2
H B 0011 GLU OE1 10.20 H B 0013 GLU OE1
H B 0011 GLU OE1 11.38 H B 0013 GLU OE2
H B 0011 GLU OE2 11.18 H B 0013 GLU OE1
H B 0011 GLU OE1 6.973 H B 0025 ASP OD1
H B 0011 GLU OE1 5.111 H B 0025 ASP OD2
H B 0011 GLU OE2 6.155 H B 0025 ASP OD1
H B 0011 GLU OE2 4.356 H B 0025 ASP OD2
H B 0012 HIS ND1 5.328 C B 0016 HIS ND1
H B 0012 HIS ND1 7.185 C B 0016 HIS NE2
H B 0012 HIS NE2 3.255 C B 0016 HIS ND1
H B 0012 HIS NE2 5.232 C B 0016 HIS NE2
H B 0012 HIS ND1 11.38 H B 0042 LYS NZ
H B 0012 HIS NE2 9.283 H B 0042 LYS NZ
H B 0012 HIS ND1 11.91 C B 0046 LYS NZ
H B 0012 HIS NE2 11.03 C B 0046 LYS NZ
C B 0016 HIS ND1 6.752 H B 0042 LYS NZ
C B 0016 HIS NE2 5.544 H B 0042 LYS NZ
C B 0016 HIS ND1 10.64 C B 0046 LYS NZ
H B 0020 ARG NH1 11.67 H B 0034 LYS NZ
H B 0020 ARG NH2 10.35 H B 0034 LYS NZ
H B 0020 ARG NH2 10.63 C B 0046 LYS NZ
H B 0035 GLU OE1 11.46 H B 0041 ASP OD1
H B 0035 GLU OE2 9.504 H B 0041 ASP OD1
H B 0035 GLU OE2 11.04 H B 0041 ASP OD2
HB_MM 2.00 3.20 91
H B 0002 LEU N 2.198 C B 0001 PHE O
H B 0003 ASP N 2.189 H B 0002 LEU O
H B 0004 GLY N 2.192 H B 0003 ASP O
H B 0005 ILE N 2.192 H B 0004 GLY O
H B 0006 ASP N 2.922 H B 0002 LEU O
H B 0006 ASP N 3.190 H B 0003 ASP O
H B 0006 ASP N 2.190 H B 0005 ILE O
H B 0007 LYS N 3.113 H B 0004 GLY O
H B 0007 LYS N 3.130 H B 0005 ILE O
H B 0007 LYS N 2.197 H B 0006 ASP O
H B 0008 ALA N 2.864 H B 0004 GLY O
H B 0008 ALA N 3.109 H B 0005 ILE O
H B 0008 ALA N 2.198 H B 0007 LYS O
H B 0009 GLN N 2.432 H B 0005 ILE O
H B 0009 GLN N 3.160 H B 0007 LYS O
H B 0009 GLN N 2.192 H B 0008 ALA O
H B 0010 GLU N 3.055 H B 0007 LYS O
H B 0010 GLU N 2.196 H B 0009 GLN O
H B 0011 GLU N 3.075 H B 0008 ALA O
H B 0011 GLU N 2.197 H B 0010 GLU O
H B 0012 HIS N 2.932 H B 0008 ALA O
H B 0012 HIS N 3.055 H B 0009 GLN O
H B 0012 HIS N 2.194 H B 0011 GLU O
H B 0013 GLU N 3.025 H B 0009 GLN O
H B 0013 GLU N 3.183 H B 0010 GLU O
H B 0013 GLU N 2.183 H B 0012 HIS O
H B 0014 LYS N 3.015 H B 0010 GLU O
H B 0014 LYS N 2.192 H B 0013 GLU O
H B 0015 TYR N 2.204 H B 0014 LYS O
C B 0016 HIS N 2.341 H B 0012 HIS O
C B 0016 HIS N 2.184 H B 0015 TYR O
C B 0017 SER N 2.944 H B 0015 TYR O
C B 0017 SER N 2.199 C B 0016 HIS O
C B 0018 ASN N 2.199 C B 0017 SER O
H B 0019 TRP N 2.196 C B 0018 ASN O
H B 0020 ARG N 3.003 C B 0018 ASN O
H B 0020 ARG N 2.191 H B 0019 TRP O
H B 0021 ALA N 3.056 C B 0018 ASN O
H B 0021 ALA N 2.196 H B 0020 ARG O
H B 0022 MET N 2.195 H B 0021 ALA O
H B 0023 ALA N 2.811 H B 0019 TRP O
H B 0023 ALA N 2.197 H B 0022 MET O
H B 0024 SER N 2.970 H B 0020 ARG O
H B 0024 SER N 3.179 H B 0021 ALA O
H B 0024 SER N 2.195 H B 0023 ALA O
H B 0025 ASP N 2.756 H B 0021 ALA O
H B 0025 ASP N 3.193 H B 0022 MET O
H B 0025 ASP N 2.196 H B 0024 SER O
H B 0026 PHE N 3.020 H B 0022 MET O
H B 0026 PHE N 2.202 H B 0025 ASP O
C B 0027 ASN N 2.470 H B 0023 ALA O
C B 0027 ASN N 2.195 H B 0026 PHE O
C B 0028 LEU N 2.973 H B 0023 ALA O
C B 0028 LEU N 3.196 H B 0026 PHE O
C B 0028 LEU N 2.195 C B 0027 ASN O
C B 0029 PRO N 2.202 C B 0028 LEU O
H B 0030 PRO N 2.205 C B 0029 PRO O
H B 0031 VAL N 2.826 C B 0029 PRO O
H B 0031 VAL N 2.191 H B 0030 PRO O
H B 0032 VAL N 2.964 C B 0029 PRO O
H B 0032 VAL N 2.181 H B 0031 VAL O
H B 0033 ALA N 2.192 H B 0032 VAL O
H B 0034 LYS N 2.454 H B 0030 PRO O
H B 0034 LYS N 2.195 H B 0033 ALA O
H B 0035 GLU N 2.851 H B 0031 VAL O
H B 0035 GLU N 2.191 H B 0034 LYS O
H B 0036 ILE N 2.187 H B 0035 GLU O
H B 0037 VAL N 3.037 H B 0034 LYS O
H B 0037 VAL N 2.192 H B 0036 ILE O
H B 0038 ALA N 3.087 H B 0034 LYS O
H B 0038 ALA N 2.957 H B 0035 GLU O
H B 0038 ALA N 2.198 H B 0037 VAL O
H B 0039 SER N 3.074 H B 0035 GLU O
H B 0039 SER N 2.962 H B 0036 ILE O
H B 0039 SER N 3.148 H B 0037 VAL O
H B 0039 SER N 2.187 H B 0038 ALA O
C B 0040 CYS N 3.091 H B 0036 ILE O
C B 0040 CYS N 2.940 H B 0037 VAL O
C B 0040 CYS N 2.199 H B 0039 SER O
H B 0041 ASP N 2.195 C B 0040 CYS O
H B 0042 LYS N 3.112 C B 0040 CYS O
H B 0042 LYS N 2.195 H B 0041 ASP O
H B 0043 CYS N 3.182 C B 0040 CYS O
H B 0043 CYS N 2.194 H B 0042 LYS O
H B 0044 GLN N 2.804 C B 0040 CYS O
H B 0044 GLN N 2.197 H B 0043 CYS O
C B 0045 LEU N 3.100 H B 0041 ASP O
C B 0045 LEU N 2.193 H B 0044 GLN O
C B 0046 LYS N 2.960 H B 0044 GLN O
C B 0046 LYS N 2.205 C B 0045 LEU O
C B 0047 GLY N 2.184 C B 0046 LYS O
HB_MS 2.00 3.20 1
H B 0038 ALA O 2.383 H B 0044 GLN NE2
HB_SS 2.00 3.20 1
H B 0035 GLU OE2 2.710 H B 0039 SER OG
AROMATIC 0.00 8.00 4
H B 0014 LYS 5.968 H B 0015 TYR
H B 0012 HIS 5.095 C B 0016 HIS
H B 0042 LYS 6.576 C B 0016 HIS
H B 0020 ARG 6.672 H B 0019 TRP