Complet list of 1m7l con file
Complete list of 1m7l.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 185
H A 0001 GLY C 2.450 H A 0002 LEU CA
H A 0001 GLY C 3.009 H A 0002 LEU C
H A 0001 GLY C 3.740 H A 0002 LEU CB
H A 0001 GLY C 3.734 H A 0003 PRO CD
H A 0002 LEU CA 2.975 H A 0003 PRO CD
H A 0002 LEU C 2.474 H A 0003 PRO CA
H A 0002 LEU C 2.963 H A 0003 PRO C
H A 0002 LEU C 3.645 H A 0003 PRO CB
H A 0002 LEU C 3.685 H A 0003 PRO CG
H A 0002 LEU C 2.520 H A 0003 PRO CD
H A 0002 LEU CB 3.148 H A 0003 PRO CD
H A 0003 PRO C 2.460 H A 0004 ASP CA
H A 0003 PRO C 3.055 H A 0004 ASP C
H A 0003 PRO C 3.734 H A 0004 ASP CB
H A 0004 ASP CA 3.791 H A 0005 VAL CA
H A 0004 ASP C 2.423 H A 0005 VAL CA
H A 0004 ASP C 2.926 H A 0005 VAL C
H A 0004 ASP C 3.735 H A 0005 VAL CB
H A 0004 ASP CA 3.648 H A 0007 SER CB
H A 0004 ASP C 3.789 H A 0007 SER CB
H A 0005 VAL C 2.438 H A 0006 ALA CA
H A 0005 VAL C 3.072 H A 0006 ALA C
H A 0005 VAL C 3.707 H A 0006 ALA CB
H A 0005 VAL CG1 3.595 H A 0009 ARG CZ
H A 0006 ALA C 2.432 H A 0007 SER CA
H A 0006 ALA C 3.095 H A 0007 SER C
H A 0006 ALA C 3.699 H A 0007 SER CB
H A 0007 SER CA 3.781 H A 0008 LEU CA
H A 0007 SER C 2.404 H A 0008 LEU CA
H A 0007 SER C 3.063 H A 0008 LEU C
H A 0007 SER C 3.676 H A 0008 LEU CB
H A 0007 SER CA 3.439 H A 0010 GLN CG
H A 0007 SER C 3.416 H A 0010 GLN CG
H A 0008 LEU CA 3.788 H A 0009 ARG CA
H A 0008 LEU C 2.432 H A 0009 ARG CA
H A 0008 LEU C 3.085 H A 0009 ARG C
H A 0008 LEU C 3.696 H A 0009 ARG CB
H A 0008 LEU C 3.651 H A 0009 ARG CD
H A 0009 ARG CA 3.795 H A 0010 GLN CA
H A 0009 ARG C 2.427 H A 0010 GLN CA
H A 0009 ARG C 3.060 H A 0010 GLN C
H A 0009 ARG C 3.717 H A 0010 GLN CB
H A 0010 GLN C 2.440 H A 0011 GLN CA
H A 0010 GLN C 3.037 H A 0011 GLN C
H A 0010 GLN C 3.728 H A 0011 GLN CB
H A 0011 GLN CA 3.778 H A 0012 VAL CA
H A 0011 GLN C 2.436 H A 0012 VAL CA
H A 0011 GLN C 3.104 H A 0012 VAL C
H A 0011 GLN C 3.682 H A 0012 VAL CB
H A 0011 GLN C 3.686 H A 0014 ALA CB
H A 0012 VAL C 2.441 H A 0013 GLU CA
H A 0012 VAL C 3.056 H A 0013 GLU C
H A 0012 VAL C 3.708 H A 0013 GLU CB
H A 0013 GLU CA 3.780 H A 0014 ALA CA
H A 0013 GLU C 2.433 H A 0014 ALA CA
H A 0013 GLU C 3.053 H A 0014 ALA C
H A 0013 GLU C 3.663 H A 0014 ALA CB
H A 0013 GLU CA 3.473 H A 0016 GLN CG
H A 0013 GLU C 3.500 H A 0016 GLN CG
H A 0014 ALA CA 3.770 H A 0015 LEU CA
H A 0014 ALA C 2.436 H A 0015 LEU CA
H A 0014 ALA C 3.015 H A 0015 LEU C
H A 0014 ALA C 3.705 H A 0015 LEU CB
H A 0015 LEU CA 3.797 H A 0016 GLN CA
H A 0015 LEU C 2.421 H A 0016 GLN CA
H A 0015 LEU C 3.106 H A 0016 GLN C
H A 0015 LEU C 3.711 H A 0016 GLN CB
H A 0016 GLN CA 3.783 H A 0017 GLY CA
H A 0016 GLN C 2.412 H A 0017 GLY CA
H A 0016 GLN C 3.047 H A 0017 GLY C
H A 0016 GLN CA 3.556 H A 0019 VAL CG1
H A 0016 GLN C 3.652 H A 0019 VAL CG1
H A 0017 GLY CA 3.782 H A 0018 GLN CA
H A 0017 GLY C 2.433 H A 0018 GLN CA
H A 0017 GLY C 3.077 H A 0018 GLN C
H A 0017 GLY C 3.711 H A 0018 GLN CB
H A 0017 GLY CA 3.549 H A 0020 GLN CG
H A 0017 GLY CA 3.775 H A 0020 GLN CD
H A 0017 GLY C 3.573 H A 0020 GLN CG
H A 0018 GLN CA 3.780 H A 0019 VAL CA
H A 0018 GLN C 2.399 H A 0019 VAL CA
H A 0018 GLN C 3.065 H A 0019 VAL C
H A 0018 GLN C 3.696 H A 0019 VAL CB
H A 0018 GLN CA 3.222 H A 0021 HIS CE1
H A 0018 GLN C 3.573 H A 0021 HIS CE1
H A 0019 VAL C 2.414 H A 0020 GLN CA
H A 0019 VAL C 3.083 H A 0020 GLN C
H A 0019 VAL C 3.709 H A 0020 GLN CB
H A 0020 GLN C 2.415 H A 0021 HIS CA
H A 0020 GLN C 3.125 H A 0021 HIS C
H A 0020 GLN C 3.700 H A 0021 HIS CB
H A 0021 HIS CA 3.767 H A 0022 LEU CA
H A 0021 HIS C 2.399 H A 0022 LEU CA
H A 0021 HIS C 3.080 H A 0022 LEU C
H A 0021 HIS C 3.661 H A 0022 LEU CB
H A 0021 HIS CE1 3.347 H A 0022 LEU CD1
H A 0021 HIS CA 3.509 H A 0024 ALA CB
H A 0021 HIS C 3.488 H A 0024 ALA CB
H A 0022 LEU CA 3.781 H A 0023 GLN CA
H A 0022 LEU C 2.432 H A 0023 GLN CA
H A 0022 LEU C 3.056 H A 0023 GLN C
H A 0022 LEU C 3.700 H A 0023 GLN CB
H A 0023 GLN CA 3.798 H A 0024 ALA CA
H A 0023 GLN C 2.456 H A 0024 ALA CA
H A 0023 GLN C 2.992 H A 0024 ALA C
H A 0023 GLN C 3.711 H A 0024 ALA CB
H A 0023 GLN CA 3.670 H A 0026 PHE CB
H A 0023 GLN C 3.728 H A 0026 PHE CB
H A 0024 ALA CA 3.772 H A 0025 ALA CA
H A 0024 ALA C 2.426 H A 0025 ALA CA
H A 0024 ALA C 2.964 H A 0025 ALA C
H A 0024 ALA C 3.700 H A 0025 ALA CB
H A 0025 ALA CA 3.794 H A 0026 PHE CA
H A 0025 ALA C 2.451 H A 0026 PHE CA
H A 0025 ALA C 3.006 H A 0026 PHE C
H A 0025 ALA C 3.717 H A 0026 PHE CB
H A 0025 ALA C 3.408 H A 0029 TYR CD2
H A 0025 ALA C 3.569 H A 0029 TYR CE2
H A 0025 ALA CB 3.632 H A 0029 TYR CE2
H A 0026 PHE C 2.429 H A 0027 SER CA
H A 0026 PHE C 2.991 H A 0027 SER C
H A 0026 PHE C 3.705 H A 0027 SER CB
H A 0026 PHE CA 3.791 H A 0029 TYR CD2
H A 0027 SER C 2.434 H A 0028 GLN CA
H A 0027 SER C 3.118 H A 0028 GLN C
H A 0027 SER C 3.694 H A 0028 GLN CB
H A 0027 SER C 3.720 H A 0030 LYS CB
H A 0028 GLN C 2.454 H A 0029 TYR CA
H A 0028 GLN C 3.127 H A 0029 TYR C
H A 0028 GLN C 3.685 H A 0029 TYR CB
H A 0029 TYR C 2.455 H A 0030 LYS CA
H A 0029 TYR C 3.063 H A 0030 LYS C
H A 0029 TYR C 3.701 H A 0030 LYS CB
H A 0029 TYR CA 3.263 C A 0032 VAL CG2
H A 0029 TYR C 3.654 C A 0032 VAL CB
H A 0029 TYR C 3.623 C A 0032 VAL CG2
H A 0030 LYS CA 3.789 H A 0031 LYS CA
H A 0030 LYS C 2.423 H A 0031 LYS CA
H A 0030 LYS C 3.302 H A 0031 LYS C
H A 0030 LYS C 3.601 H A 0031 LYS CB
H A 0031 LYS CA 3.789 C A 0032 VAL CA
H A 0031 LYS C 2.431 C A 0032 VAL CA
H A 0031 LYS C 3.285 C A 0032 VAL C
H A 0031 LYS C 3.637 C A 0032 VAL CB
H A 0031 LYS CA 3.683 C A 0034 LEU CD1
H A 0031 LYS C 3.631 C A 0034 LEU CD1
H A 0031 LYS C 3.785 C A 0034 LEU CD2
C A 0032 VAL CA 3.795 C A 0033 GLU CA
C A 0032 VAL C 2.406 C A 0033 GLU CA
C A 0032 VAL C 3.310 C A 0033 GLU C
C A 0032 VAL C 3.585 C A 0033 GLU CB
C A 0032 VAL C 3.514 C A 0034 LEU CD2
C A 0033 GLU CA 3.739 C A 0034 LEU CA
C A 0033 GLU C 2.436 C A 0034 LEU CA
C A 0033 GLU C 3.672 C A 0034 LEU C
C A 0033 GLU C 3.055 C A 0034 LEU CB
C A 0033 GLU C 3.703 C A 0034 LEU CG
C A 0033 GLU C 3.430 C A 0034 LEU CD2
C A 0034 LEU C 2.448 C A 0035 PHE CA
C A 0034 LEU C 3.611 C A 0035 PHE C
C A 0034 LEU C 3.394 C A 0035 PHE CB
C A 0034 LEU CD2 3.652 C A 0035 PHE CG
C A 0034 LEU CD2 3.234 C A 0035 PHE CD1
C A 0034 LEU CD2 3.591 C A 0035 PHE CE1
C A 0034 LEU C 3.246 C A 0036 PRO CD
C A 0035 PHE CA 2.997 C A 0036 PRO CD
C A 0035 PHE C 2.488 C A 0036 PRO CA
C A 0035 PHE C 3.139 C A 0036 PRO C
C A 0035 PHE C 3.683 C A 0036 PRO CB
C A 0035 PHE C 3.653 C A 0036 PRO CG
C A 0035 PHE C 2.532 C A 0036 PRO CD
C A 0036 PRO CA 3.789 C A 0037 ASN CA
C A 0036 PRO C 2.425 C A 0037 ASN CA
C A 0036 PRO C 3.173 C A 0037 ASN C
C A 0036 PRO C 3.673 C A 0037 ASN CB
C A 0037 ASN CA 3.773 C A 0038 GLY CA
C A 0037 ASN C 2.405 C A 0038 GLY CA
C A 0037 ASN C 3.694 C A 0038 GLY C
C A 0038 GLY CA 3.770 C A 0039 GLY CA
C A 0038 GLY C 2.409 C A 0039 GLY CA
C A 0038 GLY C 3.247 C A 0039 GLY C
C A 0039 GLY CA 3.790 C A 0040 ILE CA
C A 0039 GLY C 2.429 C A 0040 ILE CA
C A 0039 GLY C 3.573 C A 0040 ILE C
C A 0039 GLY C 3.383 C A 0040 ILE CB
CHARGE_ATTR 2.00 12.00 7
H A 0004 ASP OD1 8.154 H A 0009 ARG NH1
H A 0004 ASP OD1 9.995 H A 0009 ARG NH2
H A 0004 ASP OD2 7.415 H A 0009 ARG NH1
H A 0004 ASP OD2 9.088 H A 0009 ARG NH2
H A 0013 GLU OE1 10.59 H A 0009 ARG NH1
H A 0013 GLU OE1 11.58 H A 0009 ARG NH2
H A 0013 GLU OE2 11.59 H A 0009 ARG NH1
CHARGE_REPU 2.00 12.00 1
H A 0030 LYS NZ 11.05 H A 0031 LYS NZ
HB_MM 2.00 3.20 71
H A 0002 LEU N 2.264 H A 0001 GLY O
H A 0003 PRO N 2.257 H A 0002 LEU O
H A 0004 ASP N 3.084 H A 0002 LEU O
H A 0004 ASP N 2.260 H A 0003 PRO O
H A 0005 VAL N 2.730 H A 0002 LEU O
H A 0005 VAL N 2.247 H A 0004 ASP O
H A 0006 ALA N 2.253 H A 0005 VAL O
H A 0007 SER N 2.825 H A 0003 PRO O
H A 0007 SER N 3.040 H A 0004 ASP O
H A 0007 SER N 2.242 H A 0006 ALA O
H A 0008 LEU N 2.904 H A 0004 ASP O
H A 0008 LEU N 3.076 H A 0005 VAL O
H A 0008 LEU N 2.232 H A 0007 SER O
H A 0009 ARG N 3.014 H A 0006 ALA O
H A 0009 ARG N 2.245 H A 0008 LEU O
H A 0010 GLN N 2.246 H A 0009 ARG O
H A 0011 GLN N 3.155 H A 0007 SER O
H A 0011 GLN N 2.259 H A 0010 GLN O
H A 0012 VAL N 2.954 H A 0008 LEU O
H A 0012 VAL N 3.121 H A 0009 ARG O
H A 0012 VAL N 2.249 H A 0011 GLN O
H A 0013 GLU N 2.988 H A 0009 ARG O
H A 0013 GLU N 3.119 H A 0010 GLN O
H A 0013 GLU N 2.257 H A 0012 VAL O
H A 0014 ALA N 2.999 H A 0010 GLN O
H A 0014 ALA N 2.247 H A 0013 GLU O
H A 0015 LEU N 3.060 H A 0011 GLN O
H A 0015 LEU N 2.254 H A 0014 ALA O
H A 0016 GLN N 3.105 H A 0012 VAL O
H A 0016 GLN N 2.252 H A 0015 LEU O
H A 0017 GLY N 2.956 H A 0013 GLU O
H A 0017 GLY N 3.022 H A 0014 ALA O
H A 0017 GLY N 2.244 H A 0016 GLN O
H A 0018 GLN N 3.026 H A 0014 ALA O
H A 0018 GLN N 2.253 H A 0017 GLY O
H A 0019 VAL N 2.229 H A 0018 GLN O
H A 0020 GLN N 2.971 H A 0016 GLN O
H A 0020 GLN N 2.243 H A 0019 VAL O
H A 0021 HIS N 3.175 H A 0017 GLY O
H A 0021 HIS N 2.245 H A 0020 GLN O
H A 0022 LEU N 3.002 H A 0018 GLN O
H A 0022 LEU N 2.242 H A 0021 HIS O
H A 0023 GLN N 2.989 H A 0019 VAL O
H A 0023 GLN N 2.247 H A 0022 LEU O
H A 0024 ALA N 2.975 H A 0020 GLN O
H A 0024 ALA N 2.260 H A 0023 GLN O
H A 0025 ALA N 2.990 H A 0021 HIS O
H A 0025 ALA N 2.257 H A 0024 ALA O
H A 0026 PHE N 2.908 H A 0022 LEU O
H A 0026 PHE N 2.256 H A 0025 ALA O
H A 0027 SER N 2.925 H A 0023 GLN O
H A 0027 SER N 3.055 H A 0024 ALA O
H A 0027 SER N 3.068 H A 0025 ALA O
H A 0027 SER N 2.224 H A 0026 PHE O
H A 0028 GLN N 2.955 H A 0025 ALA O
H A 0028 GLN N 3.167 H A 0026 PHE O
H A 0028 GLN N 2.248 H A 0027 SER O
H A 0029 TYR N 3.161 H A 0026 PHE O
H A 0029 TYR N 2.254 H A 0028 GLN O
H A 0030 LYS N 2.548 H A 0026 PHE O
H A 0030 LYS N 2.253 H A 0029 TYR O
H A 0031 LYS N 2.246 H A 0030 LYS O
C A 0032 VAL N 2.251 H A 0031 LYS O
C A 0033 GLU N 2.245 C A 0032 VAL O
C A 0034 LEU N 2.248 C A 0033 GLU O
C A 0035 PHE N 2.253 C A 0034 LEU O
C A 0036 PRO N 2.255 C A 0035 PHE O
C A 0037 ASN N 2.251 C A 0036 PRO O
C A 0038 GLY N 2.245 C A 0037 ASN O
C A 0039 GLY N 2.248 C A 0038 GLY O
C A 0040 ILE N 2.248 C A 0039 GLY O
HB_MS 2.00 3.20 4
H A 0003 PRO O 2.643 H A 0007 SER OG
H A 0005 VAL O 2.755 H A 0009 ARG NH1
H A 0017 GLY O 2.913 H A 0021 HIS ND1
H A 0018 GLN O 2.712 H A 0021 HIS ND1
HB_SS 2.00 3.20 1
H A 0030 LYS NZ 2.841 H A 0023 GLN OE1
AROMATIC 0.00 8.00 1
H A 0031 LYS 7.956 C A 0035 PHE
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 21
H A 0015 LEU CD1 3.560 H B 0056 GLN CA
H A 0015 LEU CD1 3.490 H B 0056 GLN CB
H A 0015 LEU CD1 3.375 H B 0059 VAL CG1
H A 0022 LEU CD1 3.658 H B 0063 GLN CG
H A 0022 LEU CD2 3.753 H B 0063 GLN CB
H A 0022 LEU CD2 3.652 H B 0063 GLN CG
H A 0022 LEU CG 3.682 H B 0066 PHE CD2
H A 0026 PHE CA 3.499 H B 0066 PHE CZ
H A 0026 PHE CB 3.641 H B 0066 PHE CZ
H A 0026 PHE CG 3.549 H B 0066 PHE CZ
H A 0026 PHE CD1 3.503 H B 0066 PHE CZ
H A 0029 TYR CD2 3.280 H B 0066 PHE CE1
H A 0029 TYR CD2 3.499 H B 0066 PHE CZ
H A 0029 TYR CE1 3.768 H B 0070 LYS CA
H A 0029 TYR CE1 3.703 H B 0070 LYS C
H A 0029 TYR CZ 3.557 H B 0070 LYS CA
H A 0029 TYR CZ 3.789 H B 0070 LYS C
C A 0032 VAL CG1 3.733 C B 0072 VAL CG1
C A 0032 VAL CG2 3.562 C B 0073 GLU CB
C A 0032 VAL CG2 3.741 C B 0073 GLU CD
C A 0035 PHE CZ 3.662 C B 0076 PRO CB
CHARGE_ATTR 2.00 12.00 9
H A 0004 ASP OD1 11.51 H B 0049 ARG NH2
H A 0004 ASP OD2 11.44 H B 0049 ARG NH1
H A 0004 ASP OD2 10.09 H B 0049 ARG NH2
H A 0009 ARG NH1 11.88 H B 0053 GLU OE1
H A 0009 ARG NH1 11.87 H B 0053 GLU OE2
H A 0030 LYS NZ 11.34 C B 0073 GLU OE1
H A 0030 LYS NZ 11.51 C B 0073 GLU OE2
H A 0031 LYS NZ 3.429 C B 0073 GLU OE1
H A 0031 LYS NZ 2.656 C B 0073 GLU OE2
CHARGE_REPU 2.00 12.00 9
H A 0004 ASP OD1 11.04 H B 0053 GLU OE2
H A 0004 ASP OD2 11.38 H B 0053 GLU OE1
H A 0004 ASP OD2 10.40 H B 0053 GLU OE2
H A 0009 ARG NH1 6.022 H B 0049 ARG NH1
H A 0009 ARG NH1 4.536 H B 0049 ARG NH2
H A 0009 ARG NH2 5.594 H B 0049 ARG NH1
H A 0009 ARG NH2 3.729 H B 0049 ARG NH2
H A 0021 HIS ND1 9.074 H B 0070 LYS NZ
H A 0021 HIS NE2 7.103 H B 0070 LYS NZ
HB_MS 2.00 3.20 2
H A 0029 TYR OH 2.742 H B 0070 LYS O
C A 0035 PHE O 2.862 C B 0077 ASN ND2
HB_SS 2.00 3.20 2
H A 0028 GLN NE2 3.192 C B 0073 GLU OE1
C A 0037 ASN OD1 3.165 C B 0077 ASN ND2
AROMATIC 0.00 8.00 1
H A 0029 TYR 5.265 H B 0066 PHE
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "C"
HYDROPHOBIC 2.00 3.80 19
H A 0016 GLN CA 3.564 H C 0095 LEU CD1
H A 0016 GLN CB 3.512 H C 0095 LEU CD1
H A 0019 VAL CG1 3.380 H C 0095 LEU CD1
H A 0023 GLN CB 3.770 H C 0102 LEU CD2
H A 0023 GLN CG 3.668 H C 0102 LEU CD1
H A 0023 GLN CG 3.666 H C 0102 LEU CD2
H A 0026 PHE CD2 3.684 H C 0102 LEU CG
H A 0026 PHE CZ 3.521 H C 0106 PHE CA
H A 0026 PHE CZ 3.720 H C 0106 PHE CB
H A 0026 PHE CZ 3.586 H C 0106 PHE CG
H A 0026 PHE CZ 3.522 H C 0106 PHE CD1
H A 0026 PHE CE1 3.247 H C 0109 TYR CD2
H A 0026 PHE CZ 3.459 H C 0109 TYR CD2
H A 0030 LYS CA 3.596 H C 0109 TYR CZ
H A 0030 LYS C 3.735 H C 0109 TYR CE1
C A 0032 VAL CG1 3.737 C C 0112 VAL CG1
C A 0033 GLU CB 3.581 C C 0112 VAL CG2
C A 0033 GLU CD 3.759 C C 0112 VAL CG2
C A 0036 PRO CB 3.669 C C 0115 PHE CZ
CHARGE_ATTR 2.00 12.00 9
H A 0009 ARG NH1 11.19 H C 0084 ASP OD2
H A 0009 ARG NH2 11.34 H C 0084 ASP OD1
H A 0009 ARG NH2 9.807 H C 0084 ASP OD2
H A 0013 GLU OE1 11.85 H C 0089 ARG NH1
H A 0013 GLU OE2 11.76 H C 0089 ARG NH1
C A 0033 GLU OE1 11.32 H C 0110 LYS NZ
C A 0033 GLU OE2 11.54 H C 0110 LYS NZ
C A 0033 GLU OE1 3.385 H C 0111 LYS NZ
C A 0033 GLU OE2 2.624 H C 0111 LYS NZ
CHARGE_REPU 2.00 12.00 9
H A 0009 ARG NH1 5.946 H C 0089 ARG NH1
H A 0009 ARG NH1 5.464 H C 0089 ARG NH2
H A 0009 ARG NH2 4.498 H C 0089 ARG NH1
H A 0009 ARG NH2 3.629 H C 0089 ARG NH2
H A 0013 GLU OE1 11.39 H C 0084 ASP OD2
H A 0013 GLU OE2 10.90 H C 0084 ASP OD1
H A 0013 GLU OE2 10.39 H C 0084 ASP OD2
H A 0030 LYS NZ 9.160 H C 0101 HIS ND1
H A 0030 LYS NZ 7.165 H C 0101 HIS NE2
HB_MS 2.00 3.20 2
H A 0030 LYS O 2.783 H C 0109 TYR OH
C A 0037 ASN ND2 2.853 C C 0115 PHE O
HB_SS 2.00 3.20 1
C A 0033 GLU OE1 3.162 H C 0108 GLN NE2
AROMATIC 0.00 8.00 1
H A 0026 PHE 5.241 H C 0109 TYR
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 185
H B 0041 GLY C 2.452 H B 0042 LEU CA
H B 0041 GLY C 3.009 H B 0042 LEU C
H B 0041 GLY C 3.742 H B 0042 LEU CB
H B 0041 GLY C 3.736 H B 0043 PRO CD
H B 0042 LEU CA 2.982 H B 0043 PRO CD
H B 0042 LEU C 2.473 H B 0043 PRO CA
H B 0042 LEU C 2.965 H B 0043 PRO C
H B 0042 LEU C 3.646 H B 0043 PRO CB
H B 0042 LEU C 3.688 H B 0043 PRO CG
H B 0042 LEU C 2.521 H B 0043 PRO CD
H B 0042 LEU CB 3.148 H B 0043 PRO CD
H B 0043 PRO C 2.456 H B 0044 ASP CA
H B 0043 PRO C 3.053 H B 0044 ASP C
H B 0043 PRO C 3.728 H B 0044 ASP CB
H B 0044 ASP CA 3.789 H B 0045 VAL CA
H B 0044 ASP C 2.420 H B 0045 VAL CA
H B 0044 ASP C 2.920 H B 0045 VAL C
H B 0044 ASP C 3.732 H B 0045 VAL CB
H B 0044 ASP CA 3.650 H B 0047 SER CB
H B 0044 ASP C 3.793 H B 0047 SER CB
H B 0045 VAL C 2.434 H B 0046 ALA CA
H B 0045 VAL C 3.067 H B 0046 ALA C
H B 0045 VAL C 3.702 H B 0046 ALA CB
H B 0045 VAL CG1 3.613 H B 0049 ARG CZ
H B 0046 ALA C 2.430 H B 0047 SER CA
H B 0046 ALA C 3.088 H B 0047 SER C
H B 0046 ALA C 3.702 H B 0047 SER CB
H B 0047 SER CA 3.783 H B 0048 LEU CA
H B 0047 SER C 2.405 H B 0048 LEU CA
H B 0047 SER C 3.059 H B 0048 LEU C
H B 0047 SER C 3.681 H B 0048 LEU CB
H B 0047 SER CA 3.432 H B 0050 GLN CG
H B 0047 SER C 3.408 H B 0050 GLN CG
H B 0048 LEU CA 3.785 H B 0049 ARG CA
H B 0048 LEU C 2.433 H B 0049 ARG CA
H B 0048 LEU C 3.089 H B 0049 ARG C
H B 0048 LEU C 3.693 H B 0049 ARG CB
H B 0048 LEU C 3.616 H B 0049 ARG CD
H B 0049 ARG CA 3.796 H B 0050 GLN CA
H B 0049 ARG C 2.426 H B 0050 GLN CA
H B 0049 ARG C 3.060 H B 0050 GLN C
H B 0049 ARG C 3.716 H B 0050 GLN CB
H B 0050 GLN C 2.443 H B 0051 GLN CA
H B 0050 GLN C 3.033 H B 0051 GLN C
H B 0050 GLN C 3.724 H B 0051 GLN CB
H B 0051 GLN CA 3.772 H B 0052 VAL CA
H B 0051 GLN C 2.429 H B 0052 VAL CA
H B 0051 GLN C 3.105 H B 0052 VAL C
H B 0051 GLN C 3.672 H B 0052 VAL CB
H B 0051 GLN C 3.689 H B 0054 ALA CB
H B 0052 VAL C 2.439 H B 0053 GLU CA
H B 0052 VAL C 3.049 H B 0053 GLU C
H B 0052 VAL C 3.710 H B 0053 GLU CB
H B 0053 GLU CA 3.780 H B 0054 ALA CA
H B 0053 GLU C 2.433 H B 0054 ALA CA
H B 0053 GLU C 3.049 H B 0054 ALA C
H B 0053 GLU C 3.664 H B 0054 ALA CB
H B 0053 GLU CA 3.473 H B 0056 GLN CG
H B 0053 GLU C 3.496 H B 0056 GLN CG
H B 0054 ALA CA 3.772 H B 0055 LEU CA
H B 0054 ALA C 2.435 H B 0055 LEU CA
H B 0054 ALA C 3.014 H B 0055 LEU C
H B 0054 ALA C 3.700 H B 0055 LEU CB
H B 0055 LEU CA 3.792 H B 0056 GLN CA
H B 0055 LEU C 2.420 H B 0056 GLN CA
H B 0055 LEU C 3.103 H B 0056 GLN C
H B 0055 LEU C 3.710 H B 0056 GLN CB
H B 0056 GLN CA 3.781 H B 0057 GLY CA
H B 0056 GLN C 2.409 H B 0057 GLY CA
H B 0056 GLN C 3.047 H B 0057 GLY C
H B 0056 GLN CA 3.561 H B 0059 VAL CG1
H B 0056 GLN C 3.659 H B 0059 VAL CG1
H B 0057 GLY CA 3.781 H B 0058 GLN CA
H B 0057 GLY C 2.432 H B 0058 GLN CA
H B 0057 GLY C 3.070 H B 0058 GLN C
H B 0057 GLY C 3.711 H B 0058 GLN CB
H B 0057 GLY CA 3.556 H B 0060 GLN CG
H B 0057 GLY CA 3.787 H B 0060 GLN CD
H B 0057 GLY C 3.581 H B 0060 GLN CG
H B 0058 GLN CA 3.783 H B 0059 VAL CA
H B 0058 GLN C 2.402 H B 0059 VAL CA
H B 0058 GLN C 3.067 H B 0059 VAL C
H B 0058 GLN C 3.706 H B 0059 VAL CB
H B 0058 GLN CA 3.242 H B 0061 HIS CE1
H B 0058 GLN C 3.592 H B 0061 HIS CE1
H B 0059 VAL C 2.415 H B 0060 GLN CA
H B 0059 VAL C 3.083 H B 0060 GLN C
H B 0059 VAL C 3.705 H B 0060 GLN CB
H B 0060 GLN C 2.411 H B 0061 HIS CA
H B 0060 GLN C 3.123 H B 0061 HIS C
H B 0060 GLN C 3.696 H B 0061 HIS CB
H B 0061 HIS CA 3.765 H B 0062 LEU CA
H B 0061 HIS C 2.394 H B 0062 LEU CA
H B 0061 HIS C 3.077 H B 0062 LEU C
H B 0061 HIS C 3.657 H B 0062 LEU CB
H B 0061 HIS CE1 3.338 H B 0062 LEU CD1
H B 0061 HIS CA 3.501 H B 0064 ALA CB
H B 0061 HIS C 3.475 H B 0064 ALA CB
H B 0062 LEU CA 3.776 H B 0063 GLN CA
H B 0062 LEU C 2.424 H B 0063 GLN CA
H B 0062 LEU C 3.037 H B 0063 GLN C
H B 0062 LEU C 3.699 H B 0063 GLN CB
H B 0063 GLN CA 3.794 H B 0064 ALA CA
H B 0063 GLN C 2.455 H B 0064 ALA CA
H B 0063 GLN C 2.991 H B 0064 ALA C
H B 0063 GLN C 3.707 H B 0064 ALA CB
H B 0063 GLN CA 3.666 H B 0066 PHE CB
H B 0063 GLN C 3.720 H B 0066 PHE CB
H B 0064 ALA CA 3.775 H B 0065 ALA CA
H B 0064 ALA C 2.429 H B 0065 ALA CA
H B 0064 ALA C 2.961 H B 0065 ALA C
H B 0064 ALA C 3.700 H B 0065 ALA CB
H B 0065 ALA CA 3.799 H B 0066 PHE CA
H B 0065 ALA C 2.455 H B 0066 PHE CA
H B 0065 ALA C 3.014 H B 0066 PHE C
H B 0065 ALA C 3.718 H B 0066 PHE CB
H B 0065 ALA C 3.402 H B 0069 TYR CD2
H B 0065 ALA C 3.566 H B 0069 TYR CE2
H B 0065 ALA CB 3.631 H B 0069 TYR CE2
H B 0066 PHE C 2.433 H B 0067 SER CA
H B 0066 PHE C 2.980 H B 0067 SER C
H B 0066 PHE C 3.715 H B 0067 SER CB
H B 0066 PHE CA 3.794 H B 0069 TYR CD2
H B 0067 SER C 2.433 H B 0068 GLN CA
H B 0067 SER C 3.109 H B 0068 GLN C
H B 0067 SER C 3.696 H B 0068 GLN CB
H B 0067 SER C 3.727 H B 0070 LYS CB
H B 0068 GLN C 2.453 H B 0069 TYR CA
H B 0068 GLN C 3.123 H B 0069 TYR C
H B 0068 GLN C 3.686 H B 0069 TYR CB
H B 0068 GLN CA 3.786 H B 0071 LYS CE
H B 0069 TYR C 2.452 H B 0070 LYS CA
H B 0069 TYR C 3.068 H B 0070 LYS C
H B 0069 TYR C 3.696 H B 0070 LYS CB
H B 0069 TYR CA 3.261 C B 0072 VAL CG2
H B 0069 TYR C 3.653 C B 0072 VAL CB
H B 0069 TYR C 3.622 C B 0072 VAL CG2
H B 0070 LYS CA 3.787 H B 0071 LYS CA
H B 0070 LYS C 2.419 H B 0071 LYS CA
H B 0070 LYS C 3.296 H B 0071 LYS C
H B 0070 LYS C 3.596 H B 0071 LYS CB
H B 0071 LYS CA 3.791 C B 0072 VAL CA
H B 0071 LYS C 2.435 C B 0072 VAL CA
H B 0071 LYS C 3.280 C B 0072 VAL C
H B 0071 LYS C 3.647 C B 0072 VAL CB
H B 0071 LYS CA 3.677 C B 0074 LEU CD1
H B 0071 LYS C 3.619 C B 0074 LEU CD1
H B 0071 LYS C 3.776 C B 0074 LEU CD2
C B 0072 VAL C 2.414 C B 0073 GLU CA
C B 0072 VAL C 3.329 C B 0073 GLU C
C B 0072 VAL C 3.588 C B 0073 GLU CB
C B 0072 VAL C 3.514 C B 0074 LEU CD2
C B 0073 GLU CA 3.736 C B 0074 LEU CA
C B 0073 GLU C 2.434 C B 0074 LEU CA
C B 0073 GLU C 3.664 C B 0074 LEU C
C B 0073 GLU C 3.076 C B 0074 LEU CB
C B 0073 GLU C 3.727 C B 0074 LEU CG
C B 0073 GLU C 3.457 C B 0074 LEU CD2
C B 0074 LEU C 2.456 C B 0075 PHE CA
C B 0074 LEU C 3.612 C B 0075 PHE C
C B 0074 LEU C 3.417 C B 0075 PHE CB
C B 0074 LEU CD2 3.661 C B 0075 PHE CG
C B 0074 LEU CD2 3.252 C B 0075 PHE CD1
C B 0074 LEU CD2 3.601 C B 0075 PHE CE1
C B 0074 LEU C 3.233 C B 0076 PRO CD
C B 0075 PHE CA 2.999 C B 0076 PRO CD
C B 0075 PHE C 2.479 C B 0076 PRO CA
C B 0075 PHE C 3.137 C B 0076 PRO C
C B 0075 PHE C 3.675 C B 0076 PRO CB
C B 0075 PHE C 3.648 C B 0076 PRO CG
C B 0075 PHE C 2.533 C B 0076 PRO CD
C B 0076 PRO CA 3.793 C B 0077 ASN CA
C B 0076 PRO C 2.429 C B 0077 ASN CA
C B 0076 PRO C 3.168 C B 0077 ASN C
C B 0076 PRO C 3.682 C B 0077 ASN CB
C B 0077 ASN CA 3.773 C B 0078 GLY CA
C B 0077 ASN C 2.405 C B 0078 GLY CA
C B 0077 ASN C 3.691 C B 0078 GLY C
C B 0078 GLY CA 3.772 C B 0079 GLY CA
C B 0078 GLY C 2.409 C B 0079 GLY CA
C B 0078 GLY C 3.242 C B 0079 GLY C
C B 0079 GLY CA 3.788 C B 0080 ILE CA
C B 0079 GLY C 2.430 C B 0080 ILE CA
C B 0079 GLY C 3.574 C B 0080 ILE C
C B 0079 GLY C 3.380 C B 0080 ILE CB
CHARGE_ATTR 2.00 12.00 7
H B 0044 ASP OD1 8.085 H B 0049 ARG NH1
H B 0044 ASP OD1 9.941 H B 0049 ARG NH2
H B 0044 ASP OD2 7.417 H B 0049 ARG NH1
H B 0044 ASP OD2 9.088 H B 0049 ARG NH2
H B 0053 GLU OE1 10.56 H B 0049 ARG NH1
H B 0053 GLU OE1 11.57 H B 0049 ARG NH2
H B 0053 GLU OE2 11.65 H B 0049 ARG NH1
CHARGE_REPU 2.00 12.00 1
H B 0070 LYS NZ 11.05 H B 0071 LYS NZ
HB_MM 2.00 3.20 73
H B 0042 LEU N 2.263 H B 0041 GLY O
H B 0043 PRO N 2.255 H B 0042 LEU O
H B 0044 ASP N 3.087 H B 0042 LEU O
H B 0044 ASP N 2.258 H B 0043 PRO O
H B 0045 VAL N 2.730 H B 0042 LEU O
H B 0045 VAL N 2.248 H B 0044 ASP O
H B 0046 ALA N 2.249 H B 0045 VAL O
H B 0047 SER N 2.811 H B 0043 PRO O
H B 0047 SER N 3.049 H B 0044 ASP O
H B 0047 SER N 2.241 H B 0046 ALA O
H B 0048 LEU N 2.908 H B 0044 ASP O
H B 0048 LEU N 3.083 H B 0045 VAL O
H B 0048 LEU N 2.229 H B 0047 SER O
H B 0049 ARG N 3.018 H B 0046 ALA O
H B 0049 ARG N 2.243 H B 0048 LEU O
H B 0050 GLN N 2.247 H B 0049 ARG O
H B 0051 GLN N 3.140 H B 0047 SER O
H B 0051 GLN N 2.253 H B 0050 GLN O
H B 0052 VAL N 2.945 H B 0048 LEU O
H B 0052 VAL N 3.131 H B 0049 ARG O
H B 0052 VAL N 2.244 H B 0051 GLN O
H B 0053 GLU N 2.991 H B 0049 ARG O
H B 0053 GLU N 3.098 H B 0050 GLN O
H B 0053 GLU N 2.256 H B 0052 VAL O
H B 0054 ALA N 2.991 H B 0050 GLN O
H B 0054 ALA N 2.247 H B 0053 GLU O
H B 0055 LEU N 3.068 H B 0051 GLN O
H B 0055 LEU N 3.190 H B 0052 VAL O
H B 0055 LEU N 2.252 H B 0054 ALA O
H B 0056 GLN N 3.112 H B 0052 VAL O
H B 0056 GLN N 2.252 H B 0055 LEU O
H B 0057 GLY N 2.958 H B 0053 GLU O
H B 0057 GLY N 2.999 H B 0054 ALA O
H B 0057 GLY N 2.241 H B 0056 GLN O
H B 0058 GLN N 3.032 H B 0054 ALA O
H B 0058 GLN N 2.252 H B 0057 GLY O
H B 0059 VAL N 2.231 H B 0058 GLN O
H B 0060 GLN N 2.985 H B 0056 GLN O
H B 0060 GLN N 2.245 H B 0059 VAL O
H B 0061 HIS N 3.156 H B 0057 GLY O
H B 0061 HIS N 2.240 H B 0060 GLN O
H B 0062 LEU N 3.006 H B 0058 GLN O
H B 0062 LEU N 2.237 H B 0061 HIS O
H B 0063 GLN N 2.987 H B 0059 VAL O
H B 0063 GLN N 2.243 H B 0062 LEU O
H B 0064 ALA N 2.970 H B 0060 GLN O
H B 0064 ALA N 2.257 H B 0063 GLN O
H B 0065 ALA N 2.988 H B 0061 HIS O
H B 0065 ALA N 2.258 H B 0064 ALA O
H B 0066 PHE N 2.879 H B 0062 LEU O
H B 0066 PHE N 2.258 H B 0065 ALA O
H B 0067 SER N 2.921 H B 0063 GLN O
H B 0067 SER N 3.050 H B 0064 ALA O
H B 0067 SER N 3.093 H B 0065 ALA O
H B 0067 SER N 2.225 H B 0066 PHE O
H B 0068 GLN N 2.973 H B 0065 ALA O
H B 0068 GLN N 3.165 H B 0066 PHE O
H B 0068 GLN N 2.248 H B 0067 SER O
H B 0069 TYR N 3.132 H B 0066 PHE O
H B 0069 TYR N 2.248 H B 0068 GLN O
H B 0070 LYS N 2.545 H B 0066 PHE O
H B 0070 LYS N 2.245 H B 0069 TYR O
H B 0071 LYS N 2.241 H B 0070 LYS O
C B 0072 VAL N 3.196 H B 0069 TYR O
C B 0072 VAL N 2.250 H B 0071 LYS O
C B 0073 GLU N 2.248 C B 0072 VAL O
C B 0074 LEU N 2.244 C B 0073 GLU O
C B 0075 PHE N 2.256 C B 0074 LEU O
C B 0076 PRO N 2.251 C B 0075 PHE O
C B 0077 ASN N 2.250 C B 0076 PRO O
C B 0078 GLY N 2.245 C B 0077 ASN O
C B 0079 GLY N 2.248 C B 0078 GLY O
C B 0080 ILE N 2.250 C B 0079 GLY O
HB_MS 2.00 3.20 4
H B 0043 PRO O 2.669 H B 0047 SER OG
H B 0045 VAL O 2.751 H B 0049 ARG NH1
H B 0057 GLY O 2.906 H B 0061 HIS ND1
H B 0058 GLN O 2.735 H B 0061 HIS ND1
HB_SS 2.00 3.20 1
H B 0070 LYS NZ 2.804 H B 0063 GLN OE1
AROMATIC 0.00 8.00 1
H B 0071 LYS 7.956 C B 0075 PHE
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "C"
HYDROPHOBIC 2.00 3.80 20
H B 0055 LEU CD1 3.575 H C 0096 GLN CA
H B 0055 LEU CD1 3.512 H C 0096 GLN CB
H B 0055 LEU CD1 3.376 H C 0099 VAL CG1
H B 0062 LEU CD1 3.699 H C 0103 GLN CG
H B 0062 LEU CD2 3.753 H C 0103 GLN CB
H B 0062 LEU CD2 3.658 H C 0103 GLN CG
H B 0062 LEU CG 3.668 H C 0106 PHE CD2
H B 0066 PHE CA 3.525 H C 0106 PHE CZ
H B 0066 PHE CB 3.652 H C 0106 PHE CZ
H B 0066 PHE CG 3.536 H C 0106 PHE CZ
H B 0066 PHE CD1 3.492 H C 0106 PHE CZ
H B 0069 TYR CD2 3.295 H C 0106 PHE CE1
H B 0069 TYR CD2 3.513 H C 0106 PHE CZ
H B 0069 TYR CE1 3.800 H C 0110 LYS CA
H B 0069 TYR CE1 3.775 H C 0110 LYS C
H B 0069 TYR CZ 3.586 H C 0110 LYS CA
C B 0072 VAL CG1 3.729 C C 0112 VAL CG1
C B 0072 VAL CG2 3.585 C C 0113 GLU CB
C B 0072 VAL CG2 3.745 C C 0113 GLU CD
C B 0075 PHE CZ 3.718 C C 0116 PRO CB
CHARGE_ATTR 2.00 12.00 9
H B 0044 ASP OD1 11.53 H C 0089 ARG NH2
H B 0044 ASP OD2 11.50 H C 0089 ARG NH1
H B 0044 ASP OD2 10.16 H C 0089 ARG NH2
H B 0049 ARG NH1 11.84 H C 0093 GLU OE1
H B 0049 ARG NH1 11.74 H C 0093 GLU OE2
H B 0070 LYS NZ 11.39 C C 0113 GLU OE1
H B 0070 LYS NZ 11.53 C C 0113 GLU OE2
H B 0071 LYS NZ 3.524 C C 0113 GLU OE1
H B 0071 LYS NZ 2.664 C C 0113 GLU OE2
CHARGE_REPU 2.00 12.00 9
H B 0044 ASP OD1 11.04 H C 0093 GLU OE2
H B 0044 ASP OD2 11.49 H C 0093 GLU OE1
H B 0044 ASP OD2 10.43 H C 0093 GLU OE2
H B 0049 ARG NH1 6.017 H C 0089 ARG NH1
H B 0049 ARG NH1 4.587 H C 0089 ARG NH2
H B 0049 ARG NH2 5.491 H C 0089 ARG NH1
H B 0049 ARG NH2 3.655 H C 0089 ARG NH2
H B 0061 HIS ND1 9.139 H C 0110 LYS NZ
H B 0061 HIS NE2 7.160 H C 0110 LYS NZ
HB_MS 2.00 3.20 2
H B 0069 TYR OH 2.769 H C 0110 LYS O
C B 0075 PHE O 2.810 C C 0117 ASN ND2
HB_SS 2.00 3.20 1
H B 0068 GLN NE2 3.180 C C 0113 GLU OE1
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "C"
AND
CHAIN(S) "C"
HYDROPHOBIC 2.00 3.80 186
H C 0081 GLY C 2.452 H C 0082 LEU CA
H C 0081 GLY C 3.036 H C 0082 LEU C
H C 0081 GLY C 3.730 H C 0082 LEU CB
H C 0081 GLY C 3.700 H C 0083 PRO CD
H C 0082 LEU CA 2.971 H C 0083 PRO CD
H C 0082 LEU C 2.467 H C 0083 PRO CA
H C 0082 LEU C 2.965 H C 0083 PRO C
H C 0082 LEU C 3.654 H C 0083 PRO CB
H C 0082 LEU C 3.679 H C 0083 PRO CG
H C 0082 LEU C 2.512 H C 0083 PRO CD
H C 0082 LEU CB 3.171 H C 0083 PRO CD
H C 0083 PRO C 2.456 H C 0084 ASP CA
H C 0083 PRO C 3.049 H C 0084 ASP C
H C 0083 PRO C 3.724 H C 0084 ASP CB
H C 0084 ASP CA 3.787 H C 0085 VAL CA
H C 0084 ASP C 2.421 H C 0085 VAL CA
H C 0084 ASP C 2.917 H C 0085 VAL C
H C 0084 ASP C 3.726 H C 0085 VAL CB
H C 0084 ASP CA 3.652 H C 0087 SER CB
H C 0084 ASP C 3.771 H C 0087 SER CB
H C 0085 VAL C 2.439 H C 0086 ALA CA
H C 0085 VAL C 3.071 H C 0086 ALA C
H C 0085 VAL C 3.706 H C 0086 ALA CB
H C 0085 VAL CG1 3.576 H C 0089 ARG CZ
H C 0086 ALA C 2.431 H C 0087 SER CA
H C 0086 ALA C 3.082 H C 0087 SER C
H C 0086 ALA C 3.699 H C 0087 SER CB
H C 0087 SER CA 3.780 H C 0088 LEU CA
H C 0087 SER C 2.401 H C 0088 LEU CA
H C 0087 SER C 3.058 H C 0088 LEU C
H C 0087 SER C 3.676 H C 0088 LEU CB
H C 0087 SER CA 3.435 H C 0090 GLN CG
H C 0087 SER C 3.418 H C 0090 GLN CG
H C 0088 LEU CA 3.796 H C 0089 ARG CA
H C 0088 LEU C 2.437 H C 0089 ARG CA
H C 0088 LEU C 3.106 H C 0089 ARG C
H C 0088 LEU C 3.695 H C 0089 ARG CB
H C 0088 LEU C 3.647 H C 0089 ARG CD
H C 0089 ARG CA 3.792 H C 0090 GLN CA
H C 0089 ARG C 2.409 H C 0090 GLN CA
H C 0089 ARG C 3.031 H C 0090 GLN C
H C 0089 ARG C 3.701 H C 0090 GLN CB
H C 0089 ARG CA 3.761 H C 0092 VAL CG2
H C 0089 ARG C 3.655 H C 0092 VAL CG2
H C 0090 GLN CA 3.786 H C 0091 GLN CA
H C 0090 GLN C 2.428 H C 0091 GLN CA
H C 0090 GLN C 3.029 H C 0091 GLN C
H C 0090 GLN C 3.717 H C 0091 GLN CB
H C 0091 GLN C 2.425 H C 0092 VAL CA
H C 0091 GLN C 3.094 H C 0092 VAL C
H C 0091 GLN C 3.782 H C 0092 VAL CB
H C 0091 GLN C 3.769 H C 0094 ALA CB
H C 0092 VAL CA 3.799 H C 0093 GLU CA
H C 0092 VAL C 2.431 H C 0093 GLU CA
H C 0092 VAL C 3.025 H C 0093 GLU C
H C 0092 VAL C 3.708 H C 0093 GLU CB
H C 0093 GLU CA 3.779 H C 0094 ALA CA
H C 0093 GLU C 2.434 H C 0094 ALA CA
H C 0093 GLU C 3.052 H C 0094 ALA C
H C 0093 GLU C 3.671 H C 0094 ALA CB
H C 0093 GLU CA 3.467 H C 0096 GLN CG
H C 0093 GLU C 3.492 H C 0096 GLN CG
H C 0094 ALA CA 3.777 H C 0095 LEU CA
H C 0094 ALA C 2.441 H C 0095 LEU CA
H C 0094 ALA C 3.026 H C 0095 LEU C
H C 0094 ALA C 3.710 H C 0095 LEU CB
H C 0095 LEU CA 3.794 H C 0096 GLN CA
H C 0095 LEU C 2.419 H C 0096 GLN CA
H C 0095 LEU C 3.107 H C 0096 GLN C
H C 0095 LEU C 3.708 H C 0096 GLN CB
H C 0096 GLN CA 3.776 H C 0097 GLY CA
H C 0096 GLN C 2.408 H C 0097 GLY CA
H C 0096 GLN C 3.039 H C 0097 GLY C
H C 0096 GLN CA 3.566 H C 0099 VAL CG1
H C 0096 GLN C 3.660 H C 0099 VAL CG1
H C 0097 GLY CA 3.779 H C 0098 GLN CA
H C 0097 GLY C 2.431 H C 0098 GLN CA
H C 0097 GLY C 3.064 H C 0098 GLN C
H C 0097 GLY C 3.713 H C 0098 GLN CB
H C 0097 GLY CA 3.547 H C 0100 GLN CG
H C 0097 GLY CA 3.785 H C 0100 GLN CD
H C 0097 GLY C 3.574 H C 0100 GLN CG
H C 0098 GLN CA 3.776 H C 0099 VAL CA
H C 0098 GLN C 2.400 H C 0099 VAL CA
H C 0098 GLN C 3.073 H C 0099 VAL C
H C 0098 GLN C 3.701 H C 0099 VAL CB
H C 0098 GLN CA 3.219 H C 0101 HIS CE1
H C 0098 GLN C 3.574 H C 0101 HIS CE1
H C 0099 VAL C 2.416 H C 0100 GLN CA
H C 0099 VAL C 3.084 H C 0100 GLN C
H C 0099 VAL C 3.710 H C 0100 GLN CB
H C 0100 GLN C 2.412 H C 0101 HIS CA
H C 0100 GLN C 3.124 H C 0101 HIS C
H C 0100 GLN C 3.694 H C 0101 HIS CB
H C 0101 HIS CA 3.769 H C 0102 LEU CA
H C 0101 HIS C 2.399 H C 0102 LEU CA
H C 0101 HIS C 3.083 H C 0102 LEU C
H C 0101 HIS C 3.660 H C 0102 LEU CB
H C 0101 HIS CD2 3.797 H C 0102 LEU CD1
H C 0101 HIS CE1 3.364 H C 0102 LEU CD1
H C 0101 HIS CA 3.502 H C 0104 ALA CB
H C 0101 HIS C 3.488 H C 0104 ALA CB
H C 0102 LEU CA 3.782 H C 0103 GLN CA
H C 0102 LEU C 2.429 H C 0103 GLN CA
H C 0102 LEU C 3.053 H C 0103 GLN C
H C 0102 LEU C 3.699 H C 0103 GLN CB
H C 0103 GLN C 2.457 H C 0104 ALA CA
H C 0103 GLN C 2.990 H C 0104 ALA C
H C 0103 GLN C 3.713 H C 0104 ALA CB
H C 0103 GLN CA 3.687 H C 0106 PHE CB
H C 0103 GLN C 3.727 H C 0106 PHE CB
H C 0104 ALA CA 3.777 H C 0105 ALA CA
H C 0104 ALA C 2.429 H C 0105 ALA CA
H C 0104 ALA C 2.958 H C 0105 ALA C
H C 0104 ALA C 3.697 H C 0105 ALA CB
H C 0105 ALA C 2.452 H C 0106 PHE CA
H C 0105 ALA C 2.990 H C 0106 PHE C
H C 0105 ALA C 3.726 H C 0106 PHE CB
H C 0105 ALA C 3.412 H C 0109 TYR CD2
H C 0105 ALA C 3.569 H C 0109 TYR CE2
H C 0105 ALA CB 3.629 H C 0109 TYR CE2
H C 0106 PHE C 2.429 H C 0107 SER CA
H C 0106 PHE C 2.957 H C 0107 SER C
H C 0106 PHE C 3.705 H C 0107 SER CB
H C 0106 PHE CA 3.796 H C 0109 TYR CD2
H C 0107 SER C 2.431 H C 0108 GLN CA
H C 0107 SER C 3.108 H C 0108 GLN C
H C 0107 SER C 3.690 H C 0108 GLN CB
H C 0108 GLN C 2.448 H C 0109 TYR CA
H C 0108 GLN C 3.122 H C 0109 TYR C
H C 0108 GLN C 3.678 H C 0109 TYR CB
H C 0108 GLN CA 3.758 H C 0111 LYS CE
H C 0109 TYR C 2.449 H C 0110 LYS CA
H C 0109 TYR C 3.094 H C 0110 LYS C
H C 0109 TYR C 3.689 H C 0110 LYS CB
H C 0109 TYR CA 3.269 C C 0112 VAL CG2
H C 0109 TYR C 3.646 C C 0112 VAL CB
H C 0109 TYR C 3.630 C C 0112 VAL CG2
H C 0110 LYS CA 3.797 H C 0111 LYS CA
H C 0110 LYS C 2.422 H C 0111 LYS CA
H C 0110 LYS C 3.322 H C 0111 LYS C
H C 0110 LYS C 3.589 H C 0111 LYS CB
H C 0111 LYS CA 3.796 C C 0112 VAL CA
H C 0111 LYS C 2.441 C C 0112 VAL CA
H C 0111 LYS C 3.286 C C 0112 VAL C
H C 0111 LYS C 3.651 C C 0112 VAL CB
H C 0111 LYS CA 3.692 C C 0114 LEU CD1
H C 0111 LYS C 3.610 C C 0114 LEU CD1
H C 0111 LYS C 3.775 C C 0114 LEU CD2
C C 0112 VAL C 2.413 C C 0113 GLU CA
C C 0112 VAL C 3.313 C C 0113 GLU C
C C 0112 VAL C 3.589 C C 0113 GLU CB
C C 0112 VAL C 3.490 C C 0114 LEU CD2
C C 0113 GLU CA 3.737 C C 0114 LEU CA
C C 0113 GLU C 2.434 C C 0114 LEU CA
C C 0113 GLU C 3.667 C C 0114 LEU C
C C 0113 GLU C 3.076 C C 0114 LEU CB
C C 0113 GLU C 3.723 C C 0114 LEU CG
C C 0113 GLU C 3.442 C C 0114 LEU CD2
C C 0114 LEU C 2.453 C C 0115 PHE CA
C C 0114 LEU C 3.607 C C 0115 PHE C
C C 0114 LEU C 3.410 C C 0115 PHE CB
C C 0114 LEU CD2 3.677 C C 0115 PHE CG
C C 0114 LEU CD2 3.258 C C 0115 PHE CD1
C C 0114 LEU CD2 3.602 C C 0115 PHE CE1
C C 0114 LEU C 3.225 C C 0116 PRO CD
C C 0115 PHE CA 2.998 C C 0116 PRO CD
C C 0115 PHE C 2.479 C C 0116 PRO CA
C C 0115 PHE C 3.133 C C 0116 PRO C
C C 0115 PHE C 3.672 C C 0116 PRO CB
C C 0115 PHE C 3.647 C C 0116 PRO CG
C C 0115 PHE C 2.531 C C 0116 PRO CD
C C 0116 PRO CA 3.787 C C 0117 ASN CA
C C 0116 PRO C 2.426 C C 0117 ASN CA
C C 0116 PRO C 3.151 C C 0117 ASN C
C C 0116 PRO C 3.677 C C 0117 ASN CB
C C 0117 ASN CA 3.777 C C 0118 GLY CA
C C 0117 ASN C 2.407 C C 0118 GLY CA
C C 0117 ASN C 3.690 C C 0118 GLY C
C C 0118 GLY CA 3.769 C C 0119 GLY CA
C C 0118 GLY C 2.412 C C 0119 GLY CA
C C 0118 GLY C 3.233 C C 0119 GLY C
C C 0119 GLY CA 3.785 C C 0120 ILE CA
C C 0119 GLY C 2.429 C C 0120 ILE CA
C C 0119 GLY C 3.551 C C 0120 ILE C
C C 0119 GLY C 3.405 C C 0120 ILE CB
CHARGE_ATTR 2.00 12.00 7
H C 0084 ASP OD1 8.086 H C 0089 ARG NH1
H C 0084 ASP OD1 9.928 H C 0089 ARG NH2
H C 0084 ASP OD2 7.217 H C 0089 ARG NH1
H C 0084 ASP OD2 8.858 H C 0089 ARG NH2
H C 0093 GLU OE1 10.60 H C 0089 ARG NH1
H C 0093 GLU OE1 11.65 H C 0089 ARG NH2
H C 0093 GLU OE2 11.62 H C 0089 ARG NH1
CHARGE_REPU 2.00 12.00 1
H C 0110 LYS NZ 11.01 H C 0111 LYS NZ
HB_MM 2.00 3.20 73
H C 0082 LEU N 2.258 H C 0081 GLY O
H C 0083 PRO N 2.256 H C 0082 LEU O
H C 0084 ASP N 3.101 H C 0082 LEU O
H C 0084 ASP N 2.261 H C 0083 PRO O
H C 0085 VAL N 2.769 H C 0082 LEU O
H C 0085 VAL N 2.246 H C 0084 ASP O
H C 0086 ALA N 2.247 H C 0085 VAL O
H C 0087 SER N 2.831 H C 0083 PRO O
H C 0087 SER N 3.017 H C 0084 ASP O
H C 0087 SER N 2.245 H C 0086 ALA O
H C 0088 LEU N 2.883 H C 0084 ASP O
H C 0088 LEU N 3.066 H C 0085 VAL O
H C 0088 LEU N 2.231 H C 0087 SER O
H C 0089 ARG N 3.026 H C 0086 ALA O
H C 0089 ARG N 2.235 H C 0088 LEU O
H C 0090 GLN N 2.229 H C 0089 ARG O
H C 0091 GLN N 3.137 H C 0087 SER O
H C 0091 GLN N 2.256 H C 0090 GLN O
H C 0092 VAL N 2.932 H C 0088 LEU O
H C 0092 VAL N 3.124 H C 0089 ARG O
H C 0092 VAL N 2.257 H C 0091 GLN O
H C 0093 GLU N 3.024 H C 0089 ARG O
H C 0093 GLU N 3.145 H C 0090 GLN O
H C 0093 GLU N 2.251 H C 0092 VAL O
H C 0094 ALA N 3.004 H C 0090 GLN O
H C 0094 ALA N 3.195 H C 0091 GLN O
H C 0094 ALA N 2.249 H C 0093 GLU O
H C 0095 LEU N 3.064 H C 0091 GLN O
H C 0095 LEU N 3.170 H C 0092 VAL O
H C 0095 LEU N 2.253 H C 0094 ALA O
H C 0096 GLN N 3.040 H C 0092 VAL O
H C 0096 GLN N 2.248 H C 0095 LEU O
H C 0097 GLY N 2.960 H C 0093 GLU O
H C 0097 GLY N 3.018 H C 0094 ALA O
H C 0097 GLY N 2.243 H C 0096 GLN O
H C 0098 GLN N 3.033 H C 0094 ALA O
H C 0098 GLN N 2.253 H C 0097 GLY O
H C 0099 VAL N 2.230 H C 0098 GLN O
H C 0100 GLN N 2.959 H C 0096 GLN O
H C 0100 GLN N 2.242 H C 0099 VAL O
H C 0101 HIS N 3.149 H C 0097 GLY O
H C 0101 HIS N 2.243 H C 0100 GLN O
H C 0102 LEU N 2.981 H C 0098 GLN O
H C 0102 LEU N 2.241 H C 0101 HIS O
H C 0103 GLN N 2.995 H C 0099 VAL O
H C 0103 GLN N 2.246 H C 0102 LEU O
H C 0104 ALA N 2.973 H C 0100 GLN O
H C 0104 ALA N 2.257 H C 0103 GLN O
H C 0105 ALA N 3.010 H C 0101 HIS O
H C 0105 ALA N 2.255 H C 0104 ALA O
H C 0106 PHE N 2.922 H C 0102 LEU O
H C 0106 PHE N 2.256 H C 0105 ALA O
H C 0107 SER N 2.923 H C 0103 GLN O
H C 0107 SER N 3.032 H C 0104 ALA O
H C 0107 SER N 3.085 H C 0105 ALA O
H C 0107 SER N 2.221 H C 0106 PHE O
H C 0108 GLN N 2.958 H C 0105 ALA O
H C 0108 GLN N 3.095 H C 0106 PHE O
H C 0108 GLN N 2.247 H C 0107 SER O
H C 0109 TYR N 3.072 H C 0106 PHE O
H C 0109 TYR N 2.246 H C 0108 GLN O
H C 0110 LYS N 2.519 H C 0106 PHE O
H C 0110 LYS N 2.248 H C 0109 TYR O
H C 0111 LYS N 2.242 H C 0110 LYS O
C C 0112 VAL N 2.255 H C 0111 LYS O
C C 0113 GLU N 2.247 C C 0112 VAL O
C C 0114 LEU N 2.247 C C 0113 GLU O
C C 0115 PHE N 2.258 C C 0114 LEU O
C C 0116 PRO N 2.252 C C 0115 PHE O
C C 0117 ASN N 2.250 C C 0116 PRO O
C C 0118 GLY N 2.245 C C 0117 ASN O
C C 0119 GLY N 2.253 C C 0118 GLY O
C C 0120 ILE N 2.251 C C 0119 GLY O
HB_MS 2.00 3.20 4
H C 0083 PRO O 2.629 H C 0087 SER OG
H C 0085 VAL O 2.730 H C 0089 ARG NH1
H C 0097 GLY O 2.897 H C 0101 HIS ND1
H C 0098 GLN O 2.732 H C 0101 HIS ND1
HB_SS 2.00 3.20 1
H C 0110 LYS NZ 2.774 H C 0103 GLN OE1
AROMATIC 0.00 8.00 1
H C 0111 LYS 7.990 C C 0115 PHE