Complet list of 1r2a con file
Complete list of 1r2a.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 177
C A 0001 HIS C 2.424 C A 0002 MET CA
C A 0001 HIS C 3.474 C A 0002 MET C
C A 0001 HIS C 3.417 C A 0002 MET CB
C A 0002 MET C 2.423 C A 0003 GLY CA
C A 0002 MET C 3.691 C A 0003 GLY C
C A 0003 GLY C 2.424 C A 0004 HIS CA
C A 0003 GLY C 3.355 C A 0004 HIS C
C A 0003 GLY C 3.518 C A 0004 HIS CB
C A 0004 HIS C 2.423 C A 0005 ILE CA
C A 0004 HIS C 3.570 C A 0005 ILE C
C A 0004 HIS C 3.294 C A 0005 ILE CB
C A 0004 HIS C 3.235 C A 0005 ILE CG1
C A 0004 HIS C 3.153 C A 0005 ILE CD1
C A 0005 ILE C 2.424 C A 0006 GLN CA
C A 0005 ILE C 3.653 C A 0006 GLN C
C A 0005 ILE C 3.138 C A 0006 GLN CB
C A 0006 GLN C 2.420 C A 0007 ILE CA
C A 0006 GLN C 2.968 C A 0007 ILE C
C A 0006 GLN C 3.622 C A 0007 ILE CB
C A 0007 ILE CA 2.895 C A 0008 PRO CD
C A 0007 ILE C 2.430 C A 0008 PRO CA
C A 0007 ILE C 3.097 C A 0008 PRO C
C A 0007 ILE C 3.615 C A 0008 PRO CB
C A 0007 ILE C 3.630 C A 0008 PRO CG
C A 0007 ILE C 2.496 C A 0008 PRO CD
C A 0007 ILE CG1 3.679 C A 0008 PRO CD
C A 0008 PRO CA 2.891 C A 0009 PRO CD
C A 0008 PRO C 2.429 C A 0009 PRO CA
C A 0008 PRO C 3.097 C A 0009 PRO C
C A 0008 PRO C 3.615 C A 0009 PRO CB
C A 0008 PRO C 3.632 C A 0009 PRO CG
C A 0008 PRO C 2.497 C A 0009 PRO CD
C A 0009 PRO C 2.423 C A 0010 GLY CA
C A 0009 PRO C 3.280 C A 0010 GLY C
C A 0010 GLY C 2.423 H A 0011 LEU CA
C A 0010 GLY C 3.050 H A 0011 LEU C
C A 0010 GLY C 3.636 H A 0011 LEU CB
H A 0011 LEU C 2.425 H A 0012 THR CA
H A 0011 LEU C 2.919 H A 0012 THR C
H A 0011 LEU C 3.636 H A 0012 THR CB
H A 0011 LEU C 3.784 H A 0015 LEU CG
H A 0011 LEU C 3.548 H A 0015 LEU CD1
H A 0012 THR C 2.424 H A 0013 GLU CA
H A 0012 THR C 3.080 H A 0013 GLU C
H A 0012 THR C 3.632 H A 0013 GLU CB
H A 0013 GLU C 2.423 H A 0014 LEU CA
H A 0013 GLU C 2.937 H A 0014 LEU C
H A 0013 GLU C 3.636 H A 0014 LEU CB
H A 0014 LEU C 2.422 H A 0015 LEU CA
H A 0014 LEU C 2.995 H A 0015 LEU C
H A 0014 LEU C 3.640 H A 0015 LEU CB
H A 0014 LEU CD2 3.664 H A 0038 PHE CE1
H A 0015 LEU C 2.423 H A 0016 GLN CA
H A 0015 LEU C 2.918 H A 0016 GLN C
H A 0015 LEU C 3.639 H A 0016 GLN CB
H A 0016 GLN C 2.423 H A 0017 GLY CA
H A 0016 GLN C 2.920 H A 0017 GLY C
H A 0017 GLY C 2.432 H A 0018 TYR CA
H A 0017 GLY C 2.896 H A 0018 TYR C
H A 0017 GLY C 3.625 H A 0018 TYR CB
H A 0017 GLY C 3.428 H A 0021 GLU CG
H A 0018 TYR C 2.425 H A 0019 THR CA
H A 0018 TYR C 3.003 H A 0019 THR C
H A 0018 TYR C 3.640 H A 0019 THR CB
H A 0018 TYR CA 3.733 H A 0021 GLU CG
H A 0018 TYR C 3.756 H A 0022 VAL CG2
H A 0018 TYR CD2 3.729 H A 0022 VAL CG2
H A 0018 TYR CE2 3.787 H A 0022 VAL CG2
H A 0018 TYR CE2 3.758 H A 0030 LEU CD1
H A 0018 TYR CE1 3.484 H A 0033 PHE CD2
H A 0018 TYR CE1 3.389 H A 0033 PHE CE2
H A 0018 TYR CZ 3.627 H A 0033 PHE CD2
H A 0018 TYR CZ 3.528 H A 0034 ALA CA
H A 0018 TYR CZ 3.620 H A 0034 ALA CB
H A 0018 TYR CD1 3.364 H A 0037 TYR CD2
H A 0018 TYR CD1 3.677 H A 0037 TYR CE2
H A 0018 TYR CE1 3.627 H A 0037 TYR CD2
H A 0019 THR C 2.425 H A 0020 VAL CA
H A 0019 THR C 3.171 H A 0020 VAL C
H A 0019 THR C 3.611 H A 0020 VAL CB
H A 0020 VAL C 2.426 H A 0021 GLU CA
H A 0020 VAL C 3.154 H A 0021 GLU C
H A 0020 VAL C 3.653 H A 0021 GLU CB
H A 0021 GLU C 2.419 H A 0022 VAL CA
H A 0021 GLU C 2.938 H A 0022 VAL C
H A 0021 GLU C 3.632 H A 0022 VAL CB
H A 0021 GLU CD 3.163 H A 0037 TYR CE1
H A 0021 GLU CD 3.472 H A 0037 TYR CZ
H A 0022 VAL C 2.423 H A 0023 LEU CA
H A 0022 VAL C 3.097 H A 0023 LEU C
H A 0022 VAL C 3.628 H A 0023 LEU CB
H A 0022 VAL CG1 3.339 H A 0030 LEU CD1
H A 0022 VAL CG2 3.728 H A 0030 LEU CD1
H A 0022 VAL CG2 3.683 H A 0033 PHE CE2
H A 0023 LEU C 2.424 H A 0024 ARG CA
H A 0023 LEU C 3.263 H A 0024 ARG C
H A 0023 LEU C 3.571 H A 0024 ARG CB
H A 0023 LEU C 3.795 H A 0024 ARG CD
H A 0024 ARG C 2.427 C A 0025 GLN CA
H A 0024 ARG C 2.919 C A 0025 GLN C
H A 0024 ARG C 3.637 C A 0025 GLN CB
C A 0025 GLN C 2.425 C A 0026 GLN CA
C A 0025 GLN C 2.915 C A 0026 GLN C
C A 0025 GLN C 2.939 C A 0026 GLN CB
C A 0025 GLN C 3.621 C A 0027 PRO CD
C A 0026 GLN CA 2.880 C A 0027 PRO CD
C A 0026 GLN C 2.430 C A 0027 PRO CA
C A 0026 GLN C 3.087 C A 0027 PRO C
C A 0026 GLN C 3.617 C A 0027 PRO CB
C A 0026 GLN C 3.624 C A 0027 PRO CG
C A 0026 GLN C 2.494 C A 0027 PRO CD
C A 0027 PRO CA 2.880 C A 0028 PRO CD
C A 0027 PRO C 2.431 C A 0028 PRO CA
C A 0027 PRO C 3.085 C A 0028 PRO C
C A 0027 PRO C 3.618 C A 0028 PRO CB
C A 0027 PRO C 3.624 C A 0028 PRO CG
C A 0027 PRO C 2.493 C A 0028 PRO CD
C A 0027 PRO CB 3.385 C A 0028 PRO CD
C A 0027 PRO CG 3.634 H A 0033 PHE CG
C A 0028 PRO C 2.424 C A 0029 ASP CA
C A 0028 PRO C 3.541 C A 0029 ASP C
C A 0028 PRO C 3.341 C A 0029 ASP CB
C A 0028 PRO C 3.437 C A 0029 ASP CG
C A 0029 ASP C 2.424 H A 0030 LEU CA
C A 0029 ASP C 3.129 H A 0030 LEU C
C A 0029 ASP C 3.619 H A 0030 LEU CB
H A 0030 LEU C 2.428 H A 0031 VAL CA
H A 0030 LEU C 2.902 H A 0031 VAL C
H A 0030 LEU C 3.632 H A 0031 VAL CB
H A 0031 VAL C 2.419 H A 0032 ASP CA
H A 0031 VAL C 2.940 H A 0032 ASP C
H A 0031 VAL C 3.624 H A 0032 ASP CB
H A 0032 ASP C 2.421 H A 0033 PHE CA
H A 0032 ASP C 2.984 H A 0033 PHE C
H A 0032 ASP C 3.642 H A 0033 PHE CB
H A 0033 PHE C 2.423 H A 0034 ALA CA
H A 0033 PHE C 2.931 H A 0034 ALA C
H A 0033 PHE C 3.634 H A 0034 ALA CB
H A 0034 ALA C 2.420 H A 0035 VAL CA
H A 0034 ALA C 3.104 H A 0035 VAL C
H A 0034 ALA C 3.612 H A 0035 VAL CB
H A 0035 VAL C 2.425 H A 0036 GLU CA
H A 0035 VAL C 2.992 H A 0036 GLU C
H A 0035 VAL C 3.640 H A 0036 GLU CB
H A 0035 VAL C 3.767 H A 0039 THR CB
H A 0036 GLU C 2.425 H A 0037 TYR CA
H A 0036 GLU C 2.992 H A 0037 TYR C
H A 0036 GLU C 3.641 H A 0037 TYR CB
H A 0037 TYR C 2.422 H A 0038 PHE CA
H A 0037 TYR C 3.009 H A 0038 PHE C
H A 0037 TYR C 3.637 H A 0038 PHE CB
H A 0037 TYR CE2 3.717 H A 0041 LEU CD1
H A 0037 TYR CZ 3.551 H A 0041 LEU CD1
H A 0038 PHE C 2.424 H A 0039 THR CA
H A 0038 PHE C 2.915 H A 0039 THR C
H A 0038 PHE C 3.639 H A 0039 THR CB
H A 0039 THR C 2.423 H A 0040 ARG CA
H A 0039 THR C 3.143 H A 0040 ARG C
H A 0039 THR C 3.614 H A 0040 ARG CB
H A 0040 ARG C 2.424 H A 0041 LEU CA
H A 0040 ARG C 2.976 H A 0041 LEU C
H A 0040 ARG C 3.639 H A 0041 LEU CB
H A 0041 LEU C 2.420 H A 0042 ARG CA
H A 0041 LEU C 3.098 H A 0042 ARG C
H A 0041 LEU C 3.610 H A 0042 ARG CB
H A 0042 ARG C 2.424 H A 0043 GLU CA
H A 0042 ARG C 3.379 H A 0043 GLU C
H A 0042 ARG C 3.504 H A 0043 GLU CB
H A 0043 GLU C 2.425 H A 0044 ALA CA
H A 0043 GLU C 3.259 H A 0044 ALA C
H A 0043 GLU C 3.577 H A 0044 ALA CB
H A 0044 ALA C 2.427 C A 0045 ARG CA
H A 0044 ALA C 2.897 C A 0045 ARG C
H A 0044 ALA C 3.628 C A 0045 ARG CB
C A 0045 ARG C 2.423 C A 0046 ARG CA
C A 0045 ARG C 3.511 C A 0046 ARG C
C A 0045 ARG C 3.376 C A 0046 ARG CB
CHARGE_ATTR 2.00 12.00 24
H A 0021 GLU OE2 11.94 H A 0024 ARG NH2
H A 0021 GLU OE1 10.33 H A 0040 ARG NH1
H A 0021 GLU OE1 8.693 H A 0040 ARG NH2
H A 0021 GLU OE2 11.80 H A 0040 ARG NH1
H A 0021 GLU OE2 10.20 H A 0040 ARG NH2
H A 0032 ASP OD1 10.92 H A 0040 ARG NH1
H A 0032 ASP OD1 11.26 H A 0040 ARG NH2
H A 0032 ASP OD2 8.997 H A 0040 ARG NH1
H A 0032 ASP OD2 9.212 H A 0040 ARG NH2
H A 0036 GLU OE1 3.711 H A 0040 ARG NH1
H A 0036 GLU OE1 4.940 H A 0040 ARG NH2
H A 0036 GLU OE2 5.007 H A 0040 ARG NH1
H A 0036 GLU OE2 5.808 H A 0040 ARG NH2
H A 0043 GLU OE1 8.900 H A 0040 ARG NH1
H A 0043 GLU OE1 10.75 H A 0040 ARG NH2
H A 0043 GLU OE2 10.84 H A 0040 ARG NH1
H A 0043 GLU OE1 10.45 H A 0042 ARG NH1
H A 0043 GLU OE1 9.784 H A 0042 ARG NH2
H A 0043 GLU OE2 9.845 H A 0042 ARG NH1
H A 0043 GLU OE2 9.262 H A 0042 ARG NH2
H A 0043 GLU OE1 6.794 C A 0046 ARG NH1
H A 0043 GLU OE1 6.277 C A 0046 ARG NH2
H A 0043 GLU OE2 5.909 C A 0046 ARG NH1
H A 0043 GLU OE2 4.862 C A 0046 ARG NH2
CHARGE_REPU 2.00 12.00 19
C A 0001 HIS ND1 8.305 C A 0004 HIS ND1
C A 0001 HIS ND1 7.889 C A 0004 HIS NE2
C A 0001 HIS NE2 9.635 C A 0004 HIS ND1
C A 0001 HIS NE2 8.814 C A 0004 HIS NE2
H A 0021 GLU OE1 11.16 H A 0036 GLU OE1
C A 0029 ASP OD1 7.123 H A 0032 ASP OD1
C A 0029 ASP OD1 7.641 H A 0032 ASP OD2
C A 0029 ASP OD2 7.008 H A 0032 ASP OD1
C A 0029 ASP OD2 7.024 H A 0032 ASP OD2
C A 0029 ASP OD1 11.51 H A 0036 GLU OE2
C A 0029 ASP OD2 10.51 H A 0036 GLU OE2
H A 0032 ASP OD1 7.544 H A 0036 GLU OE1
H A 0032 ASP OD1 6.078 H A 0036 GLU OE2
H A 0032 ASP OD2 5.884 H A 0036 GLU OE1
H A 0032 ASP OD2 4.238 H A 0036 GLU OE2
H A 0036 GLU OE1 9.826 H A 0043 GLU OE1
H A 0036 GLU OE1 11.88 H A 0043 GLU OE2
H A 0036 GLU OE2 11.73 H A 0043 GLU OE1
H A 0042 ARG NH1 10.42 C A 0045 ARG NH1
HB_MM 2.00 3.20 85
C A 0002 MET N 2.197 C A 0001 HIS O
C A 0003 GLY N 2.197 C A 0002 MET O
C A 0004 HIS N 2.196 C A 0003 GLY O
C A 0005 ILE N 2.196 C A 0004 HIS O
C A 0006 GLN N 2.197 C A 0005 ILE O
C A 0007 ILE N 2.196 C A 0006 GLN O
C A 0008 PRO N 2.227 C A 0007 ILE O
C A 0009 PRO N 2.226 C A 0008 PRO O
C A 0010 GLY N 2.196 C A 0009 PRO O
H A 0011 LEU N 2.196 C A 0010 GLY O
H A 0012 THR N 2.197 H A 0011 LEU O
H A 0013 GLU N 2.846 H A 0011 LEU O
H A 0013 GLU N 2.196 H A 0012 THR O
H A 0014 LEU N 3.169 C A 0010 GLY O
H A 0014 LEU N 3.140 H A 0011 LEU O
H A 0014 LEU N 2.196 H A 0013 GLU O
H A 0015 LEU N 2.956 H A 0011 LEU O
H A 0015 LEU N 3.111 H A 0013 GLU O
H A 0015 LEU N 2.197 H A 0014 LEU O
H A 0016 GLN N 3.126 H A 0012 THR O
H A 0016 GLN N 3.004 H A 0013 GLU O
H A 0016 GLN N 2.197 H A 0015 LEU O
H A 0017 GLY N 3.148 H A 0014 LEU O
H A 0017 GLY N 3.048 H A 0015 LEU O
H A 0017 GLY N 2.199 H A 0016 GLN O
H A 0018 TYR N 3.036 H A 0015 LEU O
H A 0018 TYR N 2.200 H A 0017 GLY O
H A 0019 THR N 3.001 H A 0016 GLN O
H A 0019 THR N 2.907 H A 0017 GLY O
H A 0019 THR N 2.197 H A 0018 TYR O
H A 0020 VAL N 3.176 H A 0016 GLN O
H A 0020 VAL N 2.687 H A 0017 GLY O
H A 0020 VAL N 2.198 H A 0019 THR O
H A 0021 GLU N 2.907 H A 0017 GLY O
H A 0021 GLU N 3.191 H A 0018 TYR O
H A 0021 GLU N 2.195 H A 0020 VAL O
H A 0022 VAL N 2.846 H A 0018 TYR O
H A 0022 VAL N 2.198 H A 0021 GLU O
H A 0023 LEU N 3.017 H A 0021 GLU O
H A 0023 LEU N 2.197 H A 0022 VAL O
H A 0024 ARG N 2.902 H A 0021 GLU O
H A 0024 ARG N 2.196 H A 0023 LEU O
C A 0025 GLN N 2.587 H A 0021 GLU O
C A 0025 GLN N 2.197 H A 0024 ARG O
C A 0026 GLN N 3.089 H A 0024 ARG O
C A 0026 GLN N 2.196 C A 0025 GLN O
C A 0027 PRO N 2.228 C A 0026 GLN O
C A 0028 PRO N 2.227 C A 0027 PRO O
C A 0029 ASP N 2.197 C A 0028 PRO O
H A 0030 LEU N 2.196 C A 0029 ASP O
H A 0031 VAL N 2.198 H A 0030 LEU O
H A 0032 ASP N 2.196 H A 0031 VAL O
H A 0033 PHE N 3.042 H A 0030 LEU O
H A 0033 PHE N 3.134 H A 0031 VAL O
H A 0033 PHE N 2.196 H A 0032 ASP O
H A 0034 ALA N 2.612 H A 0030 LEU O
H A 0034 ALA N 3.048 H A 0031 VAL O
H A 0034 ALA N 2.198 H A 0033 PHE O
H A 0035 VAL N 3.115 H A 0032 ASP O
H A 0035 VAL N 2.984 H A 0033 PHE O
H A 0035 VAL N 2.197 H A 0034 ALA O
H A 0036 GLU N 3.064 H A 0032 ASP O
H A 0036 GLU N 3.114 H A 0033 PHE O
H A 0036 GLU N 2.196 H A 0035 VAL O
H A 0037 TYR N 2.817 H A 0033 PHE O
H A 0037 TYR N 2.196 H A 0036 GLU O
H A 0038 PHE N 2.196 H A 0037 TYR O
H A 0039 THR N 2.695 H A 0035 VAL O
H A 0039 THR N 2.196 H A 0038 PHE O
H A 0040 ARG N 2.974 H A 0036 GLU O
H A 0040 ARG N 3.143 H A 0037 TYR O
H A 0040 ARG N 2.874 H A 0038 PHE O
H A 0040 ARG N 2.197 H A 0039 THR O
H A 0041 LEU N 3.074 H A 0037 TYR O
H A 0041 LEU N 2.794 H A 0038 PHE O
H A 0041 LEU N 2.198 H A 0040 ARG O
H A 0042 ARG N 2.980 H A 0040 ARG O
H A 0042 ARG N 2.196 H A 0041 LEU O
H A 0043 GLU N 2.874 H A 0040 ARG O
H A 0043 GLU N 2.197 H A 0042 ARG O
H A 0044 ALA N 2.998 H A 0040 ARG O
H A 0044 ALA N 2.197 H A 0043 GLU O
C A 0045 ARG N 2.201 H A 0044 ALA O
C A 0046 ARG N 2.717 H A 0044 ALA O
C A 0046 ARG N 2.197 C A 0045 ARG O
HB_MS 2.00 3.20 5
H A 0015 LEU O 2.867 H A 0019 THR OG1
H A 0016 GLN O 2.972 H A 0019 THR OG1
H A 0030 LEU O 3.142 H A 0018 TYR OH
H A 0034 ALA N 2.773 H A 0018 TYR OH
H A 0035 VAL O 2.424 H A 0039 THR OG1
AROMATIC 0.00 8.00 2
H A 0018 TYR 5.415 H A 0033 PHE
H A 0040 ARG 7.826 H A 0033 PHE
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 24
H A 0011 LEU CD2 3.552 H B 0022 VAL CG1
H A 0022 VAL CG1 3.580 H B 0011 LEU CD2
H A 0031 VAL CG1 3.764 H B 0042 ARG CA
H A 0031 VAL CG1 3.655 H B 0042 ARG CB
H A 0034 ALA CB 3.691 H B 0038 PHE CB
H A 0034 ALA CB 3.169 H B 0038 PHE CG
H A 0034 ALA CB 3.509 H B 0038 PHE CD1
H A 0034 ALA CB 3.246 H B 0038 PHE CD2
H A 0034 ALA CB 3.648 H B 0038 PHE CE2
H A 0035 VAL CG2 3.506 H B 0038 PHE C
H A 0035 VAL CG2 3.486 H B 0038 PHE CB
H A 0035 VAL CG2 3.290 H B 0039 THR CA
H A 0035 VAL CG2 3.718 H B 0039 THR CB
H A 0038 PHE CB 3.697 H B 0034 ALA CB
H A 0038 PHE CG 3.164 H B 0034 ALA CB
H A 0038 PHE CD1 3.499 H B 0034 ALA CB
H A 0038 PHE CD2 3.238 H B 0034 ALA CB
H A 0038 PHE CE2 3.631 H B 0034 ALA CB
H A 0038 PHE C 3.485 H B 0035 VAL CG2
H A 0038 PHE CB 3.456 H B 0035 VAL CG2
H A 0039 THR CA 3.285 H B 0035 VAL CG2
H A 0039 THR CB 3.718 H B 0035 VAL CG2
H A 0042 ARG CA 3.760 H B 0031 VAL CG1
H A 0042 ARG CB 3.665 H B 0031 VAL CG1
CHARGE_ATTR 2.00 12.00 30
C A 0029 ASP OD1 4.885 H B 0042 ARG NH1
C A 0029 ASP OD1 6.886 H B 0042 ARG NH2
C A 0029 ASP OD2 5.196 H B 0042 ARG NH1
C A 0029 ASP OD2 6.690 H B 0042 ARG NH2
C A 0029 ASP OD1 8.823 C B 0045 ARG NH1
C A 0029 ASP OD1 11.00 C B 0045 ARG NH2
C A 0029 ASP OD2 10.79 C B 0045 ARG NH1
H A 0032 ASP OD1 3.445 H B 0042 ARG NH1
H A 0032 ASP OD1 3.188 H B 0042 ARG NH2
H A 0032 ASP OD2 4.982 H B 0042 ARG NH1
H A 0032 ASP OD2 4.628 H B 0042 ARG NH2
H A 0036 GLU OE1 10.81 H B 0042 ARG NH1
H A 0036 GLU OE1 10.03 H B 0042 ARG NH2
H A 0036 GLU OE2 9.124 H B 0042 ARG NH1
H A 0036 GLU OE2 8.245 H B 0042 ARG NH2
H A 0042 ARG NH1 4.895 C B 0029 ASP OD1
H A 0042 ARG NH1 5.185 C B 0029 ASP OD2
H A 0042 ARG NH2 6.909 C B 0029 ASP OD1
H A 0042 ARG NH2 6.698 C B 0029 ASP OD2
H A 0042 ARG NH1 3.433 H B 0032 ASP OD1
H A 0042 ARG NH1 4.958 H B 0032 ASP OD2
H A 0042 ARG NH2 3.190 H B 0032 ASP OD1
H A 0042 ARG NH2 4.613 H B 0032 ASP OD2
H A 0042 ARG NH1 10.78 H B 0036 GLU OE1
H A 0042 ARG NH1 9.092 H B 0036 GLU OE2
H A 0042 ARG NH2 10.00 H B 0036 GLU OE1
H A 0042 ARG NH2 8.215 H B 0036 GLU OE2
C A 0045 ARG NH1 8.764 C B 0029 ASP OD1
C A 0045 ARG NH1 10.73 C B 0029 ASP OD2
C A 0045 ARG NH2 10.94 C B 0029 ASP OD1
CHARGE_REPU 2.00 12.00 12
C A 0004 HIS ND1 6.640 H B 0024 ARG NH1
C A 0004 HIS ND1 8.162 H B 0024 ARG NH2
C A 0004 HIS NE2 7.511 H B 0024 ARG NH1
C A 0004 HIS NE2 8.643 H B 0024 ARG NH2
H A 0024 ARG NH1 6.705 C B 0004 HIS ND1
H A 0024 ARG NH1 7.565 C B 0004 HIS NE2
H A 0024 ARG NH2 8.236 C B 0004 HIS ND1
H A 0024 ARG NH2 8.713 C B 0004 HIS NE2
H A 0032 ASP OD1 10.31 H B 0043 GLU OE1
H A 0032 ASP OD1 10.39 H B 0043 GLU OE2
H A 0043 GLU OE1 10.30 H B 0032 ASP OD1
H A 0043 GLU OE2 10.38 H B 0032 ASP OD1
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 177
C B 0001 HIS C 2.423 C B 0002 MET CA
C B 0001 HIS C 3.473 C B 0002 MET C
C B 0001 HIS C 3.418 C B 0002 MET CB
C B 0002 MET C 2.423 C B 0003 GLY CA
C B 0002 MET C 3.691 C B 0003 GLY C
C B 0003 GLY C 2.424 C B 0004 HIS CA
C B 0003 GLY C 3.354 C B 0004 HIS C
C B 0003 GLY C 3.517 C B 0004 HIS CB
C B 0004 HIS C 2.422 C B 0005 ILE CA
C B 0004 HIS C 3.569 C B 0005 ILE C
C B 0004 HIS C 3.294 C B 0005 ILE CB
C B 0004 HIS C 3.236 C B 0005 ILE CG1
C B 0004 HIS C 3.154 C B 0005 ILE CD1
C B 0005 ILE C 2.424 C B 0006 GLN CA
C B 0005 ILE C 3.652 C B 0006 GLN C
C B 0005 ILE C 3.139 C B 0006 GLN CB
C B 0006 GLN C 2.421 C B 0007 ILE CA
C B 0006 GLN C 2.969 C B 0007 ILE C
C B 0006 GLN C 3.624 C B 0007 ILE CB
C B 0007 ILE CA 2.896 C B 0008 PRO CD
C B 0007 ILE C 2.430 C B 0008 PRO CA
C B 0007 ILE C 3.098 C B 0008 PRO C
C B 0007 ILE C 3.614 C B 0008 PRO CB
C B 0007 ILE C 3.629 C B 0008 PRO CG
C B 0007 ILE C 2.495 C B 0008 PRO CD
C B 0007 ILE CG1 3.676 C B 0008 PRO CD
C B 0008 PRO CA 2.891 C B 0009 PRO CD
C B 0008 PRO C 2.430 C B 0009 PRO CA
C B 0008 PRO C 3.097 C B 0009 PRO C
C B 0008 PRO C 3.616 C B 0009 PRO CB
C B 0008 PRO C 3.632 C B 0009 PRO CG
C B 0008 PRO C 2.497 C B 0009 PRO CD
C B 0009 PRO C 2.423 C B 0010 GLY CA
C B 0009 PRO C 3.280 C B 0010 GLY C
C B 0010 GLY C 2.424 H B 0011 LEU CA
C B 0010 GLY C 3.049 H B 0011 LEU C
C B 0010 GLY C 3.636 H B 0011 LEU CB
H B 0011 LEU C 2.425 H B 0012 THR CA
H B 0011 LEU C 2.919 H B 0012 THR C
H B 0011 LEU C 3.636 H B 0012 THR CB
H B 0011 LEU C 3.783 H B 0015 LEU CG
H B 0011 LEU C 3.552 H B 0015 LEU CD1
H B 0012 THR C 2.423 H B 0013 GLU CA
H B 0012 THR C 3.078 H B 0013 GLU C
H B 0012 THR C 3.632 H B 0013 GLU CB
H B 0013 GLU C 2.424 H B 0014 LEU CA
H B 0013 GLU C 2.940 H B 0014 LEU C
H B 0013 GLU C 3.637 H B 0014 LEU CB
H B 0014 LEU C 2.421 H B 0015 LEU CA
H B 0014 LEU C 2.996 H B 0015 LEU C
H B 0014 LEU C 3.639 H B 0015 LEU CB
H B 0014 LEU CD2 3.668 H B 0038 PHE CE1
H B 0015 LEU C 2.422 H B 0016 GLN CA
H B 0015 LEU C 2.918 H B 0016 GLN C
H B 0015 LEU C 3.638 H B 0016 GLN CB
H B 0016 GLN C 2.424 H B 0017 GLY CA
H B 0016 GLN C 2.919 H B 0017 GLY C
H B 0017 GLY C 2.431 H B 0018 TYR CA
H B 0017 GLY C 2.896 H B 0018 TYR C
H B 0017 GLY C 3.625 H B 0018 TYR CB
H B 0017 GLY C 3.428 H B 0021 GLU CG
H B 0018 TYR C 2.424 H B 0019 THR CA
H B 0018 TYR C 3.003 H B 0019 THR C
H B 0018 TYR C 3.641 H B 0019 THR CB
H B 0018 TYR CA 3.735 H B 0021 GLU CG
H B 0018 TYR C 3.755 H B 0022 VAL CG2
H B 0018 TYR CD2 3.731 H B 0022 VAL CG2
H B 0018 TYR CE2 3.790 H B 0022 VAL CG2
H B 0018 TYR CE2 3.757 H B 0030 LEU CD1
H B 0018 TYR CE1 3.477 H B 0033 PHE CD2
H B 0018 TYR CE1 3.383 H B 0033 PHE CE2
H B 0018 TYR CZ 3.624 H B 0033 PHE CD2
H B 0018 TYR CZ 3.529 H B 0034 ALA CA
H B 0018 TYR CZ 3.619 H B 0034 ALA CB
H B 0018 TYR CD1 3.368 H B 0037 TYR CD2
H B 0018 TYR CD1 3.680 H B 0037 TYR CE2
H B 0018 TYR CE1 3.632 H B 0037 TYR CD2
H B 0019 THR C 2.425 H B 0020 VAL CA
H B 0019 THR C 3.171 H B 0020 VAL C
H B 0019 THR C 3.611 H B 0020 VAL CB
H B 0020 VAL C 2.426 H B 0021 GLU CA
H B 0020 VAL C 3.153 H B 0021 GLU C
H B 0020 VAL C 3.654 H B 0021 GLU CB
H B 0021 GLU C 2.421 H B 0022 VAL CA
H B 0021 GLU C 2.940 H B 0022 VAL C
H B 0021 GLU C 3.634 H B 0022 VAL CB
H B 0021 GLU CD 3.160 H B 0037 TYR CE1
H B 0021 GLU CD 3.466 H B 0037 TYR CZ
H B 0022 VAL C 2.422 H B 0023 LEU CA
H B 0022 VAL C 3.099 H B 0023 LEU C
H B 0022 VAL C 3.627 H B 0023 LEU CB
H B 0022 VAL CG1 3.339 H B 0030 LEU CD1
H B 0022 VAL CG2 3.727 H B 0030 LEU CD1
H B 0022 VAL CG2 3.684 H B 0033 PHE CE2
H B 0023 LEU C 2.424 H B 0024 ARG CA
H B 0023 LEU C 3.264 H B 0024 ARG C
H B 0023 LEU C 3.572 H B 0024 ARG CB
H B 0023 LEU C 3.791 H B 0024 ARG CD
H B 0024 ARG C 2.426 C B 0025 GLN CA
H B 0024 ARG C 2.920 C B 0025 GLN C
H B 0024 ARG C 3.636 C B 0025 GLN CB
C B 0025 GLN C 2.424 C B 0026 GLN CA
C B 0025 GLN C 2.915 C B 0026 GLN C
C B 0025 GLN C 2.937 C B 0026 GLN CB
C B 0025 GLN C 3.623 C B 0027 PRO CD
C B 0026 GLN CA 2.882 C B 0027 PRO CD
C B 0026 GLN C 2.431 C B 0027 PRO CA
C B 0026 GLN C 3.087 C B 0027 PRO C
C B 0026 GLN C 3.618 C B 0027 PRO CB
C B 0026 GLN C 3.625 C B 0027 PRO CG
C B 0026 GLN C 2.494 C B 0027 PRO CD
C B 0027 PRO CA 2.879 C B 0028 PRO CD
C B 0027 PRO C 2.429 C B 0028 PRO CA
C B 0027 PRO C 3.081 C B 0028 PRO C
C B 0027 PRO C 3.616 C B 0028 PRO CB
C B 0027 PRO C 3.624 C B 0028 PRO CG
C B 0027 PRO C 2.493 C B 0028 PRO CD
C B 0027 PRO CB 3.386 C B 0028 PRO CD
C B 0027 PRO CG 3.630 H B 0033 PHE CG
C B 0028 PRO C 2.424 C B 0029 ASP CA
C B 0028 PRO C 3.540 C B 0029 ASP C
C B 0028 PRO C 3.341 C B 0029 ASP CB
C B 0028 PRO C 3.438 C B 0029 ASP CG
C B 0029 ASP C 2.424 H B 0030 LEU CA
C B 0029 ASP C 3.128 H B 0030 LEU C
C B 0029 ASP C 3.619 H B 0030 LEU CB
H B 0030 LEU C 2.427 H B 0031 VAL CA
H B 0030 LEU C 2.901 H B 0031 VAL C
H B 0030 LEU C 3.632 H B 0031 VAL CB
H B 0031 VAL C 2.419 H B 0032 ASP CA
H B 0031 VAL C 2.939 H B 0032 ASP C
H B 0031 VAL C 3.625 H B 0032 ASP CB
H B 0032 ASP C 2.421 H B 0033 PHE CA
H B 0032 ASP C 2.984 H B 0033 PHE C
H B 0032 ASP C 3.644 H B 0033 PHE CB
H B 0033 PHE C 2.424 H B 0034 ALA CA
H B 0033 PHE C 2.931 H B 0034 ALA C
H B 0033 PHE C 3.634 H B 0034 ALA CB
H B 0034 ALA C 2.419 H B 0035 VAL CA
H B 0034 ALA C 3.102 H B 0035 VAL C
H B 0034 ALA C 3.612 H B 0035 VAL CB
H B 0035 VAL C 2.424 H B 0036 GLU CA
H B 0035 VAL C 2.993 H B 0036 GLU C
H B 0035 VAL C 3.640 H B 0036 GLU CB
H B 0035 VAL C 3.769 H B 0039 THR CB
H B 0036 GLU C 2.424 H B 0037 TYR CA
H B 0036 GLU C 2.993 H B 0037 TYR C
H B 0036 GLU C 3.641 H B 0037 TYR CB
H B 0037 TYR C 2.423 H B 0038 PHE CA
H B 0037 TYR C 3.007 H B 0038 PHE C
H B 0037 TYR C 3.637 H B 0038 PHE CB
H B 0037 TYR CE2 3.718 H B 0041 LEU CD1
H B 0037 TYR CZ 3.551 H B 0041 LEU CD1
H B 0038 PHE C 2.424 H B 0039 THR CA
H B 0038 PHE C 2.916 H B 0039 THR C
H B 0038 PHE C 3.640 H B 0039 THR CB
H B 0039 THR C 2.423 H B 0040 ARG CA
H B 0039 THR C 3.143 H B 0040 ARG C
H B 0039 THR C 3.615 H B 0040 ARG CB
H B 0040 ARG C 2.424 H B 0041 LEU CA
H B 0040 ARG C 2.976 H B 0041 LEU C
H B 0040 ARG C 3.641 H B 0041 LEU CB
H B 0041 LEU C 2.420 H B 0042 ARG CA
H B 0041 LEU C 3.098 H B 0042 ARG C
H B 0041 LEU C 3.610 H B 0042 ARG CB
H B 0042 ARG C 2.424 H B 0043 GLU CA
H B 0042 ARG C 3.379 H B 0043 GLU C
H B 0042 ARG C 3.503 H B 0043 GLU CB
H B 0043 GLU C 2.425 H B 0044 ALA CA
H B 0043 GLU C 3.258 H B 0044 ALA C
H B 0043 GLU C 3.578 H B 0044 ALA CB
H B 0044 ALA C 2.427 C B 0045 ARG CA
H B 0044 ALA C 2.896 C B 0045 ARG C
H B 0044 ALA C 3.629 C B 0045 ARG CB
C B 0045 ARG C 2.423 C B 0046 ARG CA
C B 0045 ARG C 3.510 C B 0046 ARG C
C B 0045 ARG C 3.375 C B 0046 ARG CB
CHARGE_ATTR 2.00 12.00 24
H B 0021 GLU OE2 11.95 H B 0024 ARG NH2
H B 0021 GLU OE1 10.33 H B 0040 ARG NH1
H B 0021 GLU OE1 8.693 H B 0040 ARG NH2
H B 0021 GLU OE2 11.80 H B 0040 ARG NH1
H B 0021 GLU OE2 10.20 H B 0040 ARG NH2
H B 0032 ASP OD1 10.91 H B 0040 ARG NH1
H B 0032 ASP OD1 11.26 H B 0040 ARG NH2
H B 0032 ASP OD2 8.993 H B 0040 ARG NH1
H B 0032 ASP OD2 9.209 H B 0040 ARG NH2
H B 0036 GLU OE1 3.710 H B 0040 ARG NH1
H B 0036 GLU OE1 4.939 H B 0040 ARG NH2
H B 0036 GLU OE2 5.005 H B 0040 ARG NH1
H B 0036 GLU OE2 5.807 H B 0040 ARG NH2
H B 0043 GLU OE1 8.901 H B 0040 ARG NH1
H B 0043 GLU OE1 10.75 H B 0040 ARG NH2
H B 0043 GLU OE2 10.85 H B 0040 ARG NH1
H B 0043 GLU OE1 10.45 H B 0042 ARG NH1
H B 0043 GLU OE1 9.784 H B 0042 ARG NH2
H B 0043 GLU OE2 9.843 H B 0042 ARG NH1
H B 0043 GLU OE2 9.261 H B 0042 ARG NH2
H B 0043 GLU OE1 6.795 C B 0046 ARG NH1
H B 0043 GLU OE1 6.279 C B 0046 ARG NH2
H B 0043 GLU OE2 5.911 C B 0046 ARG NH1
H B 0043 GLU OE2 4.865 C B 0046 ARG NH2
CHARGE_REPU 2.00 12.00 19
C B 0001 HIS ND1 8.303 C B 0004 HIS ND1
C B 0001 HIS ND1 7.885 C B 0004 HIS NE2
C B 0001 HIS NE2 9.637 C B 0004 HIS ND1
C B 0001 HIS NE2 8.813 C B 0004 HIS NE2
H B 0021 GLU OE1 11.16 H B 0036 GLU OE1
C B 0029 ASP OD1 7.130 H B 0032 ASP OD1
C B 0029 ASP OD1 7.648 H B 0032 ASP OD2
C B 0029 ASP OD2 7.015 H B 0032 ASP OD1
C B 0029 ASP OD2 7.032 H B 0032 ASP OD2
C B 0029 ASP OD1 11.52 H B 0036 GLU OE2
C B 0029 ASP OD2 10.52 H B 0036 GLU OE2
H B 0032 ASP OD1 7.541 H B 0036 GLU OE1
H B 0032 ASP OD1 6.075 H B 0036 GLU OE2
H B 0032 ASP OD2 5.881 H B 0036 GLU OE1
H B 0032 ASP OD2 4.236 H B 0036 GLU OE2
H B 0036 GLU OE1 9.827 H B 0043 GLU OE1
H B 0036 GLU OE1 11.88 H B 0043 GLU OE2
H B 0036 GLU OE2 11.73 H B 0043 GLU OE1
H B 0042 ARG NH1 10.42 C B 0045 ARG NH1
HB_MM 2.00 3.20 85
C B 0002 MET N 2.197 C B 0001 HIS O
C B 0003 GLY N 2.197 C B 0002 MET O
C B 0004 HIS N 2.196 C B 0003 GLY O
C B 0005 ILE N 2.195 C B 0004 HIS O
C B 0006 GLN N 2.197 C B 0005 ILE O
C B 0007 ILE N 2.197 C B 0006 GLN O
C B 0008 PRO N 2.226 C B 0007 ILE O
C B 0009 PRO N 2.228 C B 0008 PRO O
C B 0010 GLY N 2.196 C B 0009 PRO O
H B 0011 LEU N 2.197 C B 0010 GLY O
H B 0012 THR N 2.197 H B 0011 LEU O
H B 0013 GLU N 2.842 H B 0011 LEU O
H B 0013 GLU N 2.197 H B 0012 THR O
H B 0014 LEU N 3.165 C B 0010 GLY O
H B 0014 LEU N 3.134 H B 0011 LEU O
H B 0014 LEU N 2.196 H B 0013 GLU O
H B 0015 LEU N 2.952 H B 0011 LEU O
H B 0015 LEU N 3.111 H B 0013 GLU O
H B 0015 LEU N 2.196 H B 0014 LEU O
H B 0016 GLN N 3.125 H B 0012 THR O
H B 0016 GLN N 3.008 H B 0013 GLU O
H B 0016 GLN N 2.196 H B 0015 LEU O
H B 0017 GLY N 3.156 H B 0014 LEU O
H B 0017 GLY N 3.050 H B 0015 LEU O
H B 0017 GLY N 2.199 H B 0016 GLN O
H B 0018 TYR N 3.038 H B 0015 LEU O
H B 0018 TYR N 2.200 H B 0017 GLY O
H B 0019 THR N 2.998 H B 0016 GLN O
H B 0019 THR N 2.910 H B 0017 GLY O
H B 0019 THR N 2.197 H B 0018 TYR O
H B 0020 VAL N 3.177 H B 0016 GLN O
H B 0020 VAL N 2.690 H B 0017 GLY O
H B 0020 VAL N 2.197 H B 0019 THR O
H B 0021 GLU N 2.909 H B 0017 GLY O
H B 0021 GLU N 3.195 H B 0018 TYR O
H B 0021 GLU N 2.194 H B 0020 VAL O
H B 0022 VAL N 2.848 H B 0018 TYR O
H B 0022 VAL N 2.198 H B 0021 GLU O
H B 0023 LEU N 3.017 H B 0021 GLU O
H B 0023 LEU N 2.196 H B 0022 VAL O
H B 0024 ARG N 2.902 H B 0021 GLU O
H B 0024 ARG N 2.197 H B 0023 LEU O
C B 0025 GLN N 2.586 H B 0021 GLU O
C B 0025 GLN N 2.197 H B 0024 ARG O
C B 0026 GLN N 3.095 H B 0024 ARG O
C B 0026 GLN N 2.196 C B 0025 GLN O
C B 0027 PRO N 2.228 C B 0026 GLN O
C B 0028 PRO N 2.228 C B 0027 PRO O
C B 0029 ASP N 2.197 C B 0028 PRO O
H B 0030 LEU N 2.196 C B 0029 ASP O
H B 0031 VAL N 2.198 H B 0030 LEU O
H B 0032 ASP N 2.196 H B 0031 VAL O
H B 0033 PHE N 3.036 H B 0030 LEU O
H B 0033 PHE N 3.132 H B 0031 VAL O
H B 0033 PHE N 2.197 H B 0032 ASP O
H B 0034 ALA N 2.612 H B 0030 LEU O
H B 0034 ALA N 3.049 H B 0031 VAL O
H B 0034 ALA N 2.198 H B 0033 PHE O
H B 0035 VAL N 3.116 H B 0032 ASP O
H B 0035 VAL N 2.989 H B 0033 PHE O
H B 0035 VAL N 2.196 H B 0034 ALA O
H B 0036 GLU N 3.064 H B 0032 ASP O
H B 0036 GLU N 3.111 H B 0033 PHE O
H B 0036 GLU N 2.195 H B 0035 VAL O
H B 0037 TYR N 2.815 H B 0033 PHE O
H B 0037 TYR N 2.196 H B 0036 GLU O
H B 0038 PHE N 2.196 H B 0037 TYR O
H B 0039 THR N 2.698 H B 0035 VAL O
H B 0039 THR N 2.196 H B 0038 PHE O
H B 0040 ARG N 2.977 H B 0036 GLU O
H B 0040 ARG N 3.139 H B 0037 TYR O
H B 0040 ARG N 2.881 H B 0038 PHE O
H B 0040 ARG N 2.197 H B 0039 THR O
H B 0041 LEU N 3.075 H B 0037 TYR O
H B 0041 LEU N 2.803 H B 0038 PHE O
H B 0041 LEU N 2.198 H B 0040 ARG O
H B 0042 ARG N 2.976 H B 0040 ARG O
H B 0042 ARG N 2.197 H B 0041 LEU O
H B 0043 GLU N 2.870 H B 0040 ARG O
H B 0043 GLU N 2.197 H B 0042 ARG O
H B 0044 ALA N 2.995 H B 0040 ARG O
H B 0044 ALA N 2.196 H B 0043 GLU O
C B 0045 ARG N 2.201 H B 0044 ALA O
C B 0046 ARG N 2.717 H B 0044 ALA O
C B 0046 ARG N 2.196 C B 0045 ARG O
HB_MS 2.00 3.20 5
H B 0015 LEU O 2.871 H B 0019 THR OG1
H B 0016 GLN O 2.979 H B 0019 THR OG1
H B 0030 LEU O 3.143 H B 0018 TYR OH
H B 0034 ALA N 2.772 H B 0018 TYR OH
H B 0035 VAL O 2.423 H B 0039 THR OG1
AROMATIC 0.00 8.00 2
H B 0018 TYR 5.412 H B 0033 PHE
H B 0040 ARG 7.826 H B 0033 PHE