Complet list of 1otr con file
Complete list of 1otr.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 210
C A 0006 ASN C 2.432 C A 0007 ASP CA
C A 0006 ASN C 3.670 C A 0007 ASP C
C A 0006 ASN C 3.208 C A 0007 ASP CB
C A 0006 ASN CG 3.651 H A 0009 HIS CG
C A 0006 ASN CG 3.492 H A 0009 HIS CD2
C A 0007 ASP C 2.433 C A 0008 ASP CA
C A 0007 ASP C 3.668 C A 0008 ASP C
C A 0007 ASP C 3.232 C A 0008 ASP CB
C A 0007 ASP C 3.147 C A 0008 ASP CG
C A 0008 ASP C 2.424 H A 0009 HIS CA
C A 0008 ASP C 3.120 H A 0009 HIS C
C A 0008 ASP C 3.710 H A 0009 HIS CB
H A 0009 HIS C 2.445 H A 0010 GLU CA
H A 0009 HIS C 2.939 H A 0010 GLU C
H A 0009 HIS C 3.732 H A 0010 GLU CB
H A 0009 HIS CD2 3.696 H A 0010 GLU CA
H A 0009 HIS CD2 3.708 H A 0010 GLU CG
H A 0009 HIS CD2 3.340 H A 0010 GLU CD
H A 0009 HIS CE1 3.452 H A 0033 LEU CD2
H A 0009 HIS CB 3.629 C A 0037 ASN CG
H A 0010 GLU C 2.429 H A 0011 SER CA
H A 0010 GLU C 2.958 H A 0011 SER C
H A 0010 GLU C 3.717 H A 0011 SER CB
H A 0011 SER CA 3.795 H A 0012 LYS CA
H A 0011 SER C 2.434 H A 0012 LYS CA
H A 0011 SER C 2.996 H A 0012 LYS C
H A 0011 SER C 3.711 H A 0012 LYS CB
H A 0012 LYS CA 3.796 H A 0013 LEU CA
H A 0012 LYS C 2.435 H A 0013 LEU CA
H A 0012 LYS C 2.962 H A 0013 LEU C
H A 0012 LYS C 3.719 H A 0013 LEU CB
H A 0012 LYS CA 3.724 H A 0015 ILE CG1
H A 0012 LYS CB 3.555 H A 0039 LEU CD1
H A 0012 LYS CB 3.752 H A 0039 LEU CD2
H A 0013 LEU CA 3.790 H A 0014 SER CA
H A 0013 LEU C 2.432 H A 0014 SER CA
H A 0013 LEU C 2.960 H A 0014 SER C
H A 0013 LEU C 3.717 H A 0014 SER CB
H A 0013 LEU CD1 3.575 H A 0028 LEU CB
H A 0014 SER CA 3.789 H A 0015 ILE CA
H A 0014 SER C 2.429 H A 0015 ILE CA
H A 0014 SER C 2.917 H A 0015 ILE C
H A 0014 SER C 3.752 H A 0015 ILE CB
H A 0015 ILE CA 3.795 H A 0016 LEU CA
H A 0015 ILE C 2.444 H A 0016 LEU CA
H A 0015 ILE C 3.033 H A 0016 LEU C
H A 0015 ILE C 3.717 H A 0016 LEU CB
H A 0015 ILE C 3.790 H A 0019 MET CB
H A 0016 LEU C 2.432 H A 0017 MET CA
H A 0016 LEU C 2.933 H A 0017 MET C
H A 0016 LEU C 3.716 H A 0017 MET CB
H A 0016 LEU CA 3.650 H A 0019 MET CB
H A 0016 LEU C 3.787 H A 0019 MET CB
H A 0016 LEU CD2 3.656 C A 0020 PHE CE2
H A 0016 LEU CB 3.793 H A 0028 LEU CD2
H A 0016 LEU CD1 3.356 H A 0031 HIS CE1
H A 0016 LEU CD2 3.587 H A 0039 LEU CD2
H A 0016 LEU CD2 3.537 H A 0043 ILE CG1
H A 0016 LEU CD2 3.621 H A 0043 ILE CD1
H A 0017 MET CA 3.789 H A 0018 ASP CA
H A 0017 MET C 2.429 H A 0018 ASP CA
H A 0017 MET C 3.114 H A 0018 ASP C
H A 0017 MET C 3.672 H A 0018 ASP CB
H A 0017 MET CE 3.604 H A 0025 LYS CE
H A 0018 ASP C 2.448 H A 0019 MET CA
H A 0018 ASP C 3.034 H A 0019 MET C
H A 0018 ASP C 3.723 H A 0019 MET CB
H A 0019 MET C 2.434 C A 0020 PHE CA
H A 0019 MET C 3.549 C A 0020 PHE C
H A 0019 MET C 3.422 C A 0020 PHE CB
H A 0019 MET C 3.370 C A 0020 PHE CG
H A 0019 MET C 3.718 C A 0020 PHE CD1
H A 0019 MET CB 3.781 C A 0020 PHE CD2
H A 0019 MET CB 3.784 C A 0020 PHE CE2
H A 0019 MET CG 3.714 C A 0020 PHE CE1
H A 0019 MET CG 3.583 C A 0020 PHE CE2
H A 0019 MET CG 3.447 C A 0020 PHE CZ
C A 0020 PHE CA 2.920 C A 0021 PRO CD
C A 0020 PHE C 2.469 C A 0021 PRO CA
C A 0020 PHE C 3.216 C A 0021 PRO C
C A 0020 PHE C 3.627 C A 0021 PRO CB
C A 0020 PHE C 3.663 C A 0021 PRO CG
C A 0020 PHE C 2.513 C A 0021 PRO CD
C A 0020 PHE CB 3.710 C A 0023 ILE CG1
C A 0020 PHE CB 3.591 C A 0023 ILE CD1
C A 0020 PHE CG 3.526 C A 0023 ILE CD1
C A 0020 PHE CD2 3.771 H A 0028 LEU CD2
C A 0020 PHE CZ 3.729 H A 0043 ILE CG1
C A 0020 PHE CZ 3.572 H A 0043 ILE CG2
C A 0020 PHE CE2 3.523 H A 0046 LEU CD1
C A 0020 PHE CZ 3.439 H A 0046 LEU CD1
C A 0021 PRO C 2.433 C A 0022 ALA CA
C A 0021 PRO C 3.707 C A 0022 ALA C
C A 0021 PRO C 3.097 C A 0022 ALA CB
C A 0022 ALA C 2.431 C A 0023 ILE CA
C A 0022 ALA C 3.008 C A 0023 ILE C
C A 0022 ALA C 3.738 C A 0023 ILE CB
C A 0023 ILE C 2.435 C A 0024 SER CA
C A 0023 ILE C 3.044 C A 0024 SER C
C A 0023 ILE C 3.710 C A 0024 SER CB
C A 0023 ILE CG2 3.751 H A 0027 LYS CB
C A 0023 ILE CG2 3.616 H A 0027 LYS CD
C A 0023 ILE CG2 3.599 H A 0028 LEU CG
C A 0023 ILE CG2 3.558 H A 0028 LEU CD2
C A 0024 SER C 2.436 H A 0025 LYS CA
C A 0024 SER C 2.945 H A 0025 LYS C
C A 0024 SER C 3.718 H A 0025 LYS CB
H A 0025 LYS C 2.437 H A 0026 SER CA
H A 0025 LYS C 2.984 H A 0026 SER C
H A 0025 LYS C 3.717 H A 0026 SER CB
H A 0026 SER C 2.437 H A 0027 LYS CA
H A 0026 SER C 3.029 H A 0027 LYS C
H A 0026 SER C 3.714 H A 0027 LYS CB
H A 0027 LYS C 2.432 H A 0028 LEU CA
H A 0027 LYS C 2.976 H A 0028 LEU C
H A 0027 LYS C 3.717 H A 0028 LEU CB
H A 0027 LYS C 3.659 H A 0031 HIS CD2
H A 0028 LEU C 2.434 H A 0029 GLN CA
H A 0028 LEU C 3.052 H A 0029 GLN C
H A 0028 LEU C 3.709 H A 0029 GLN CB
H A 0028 LEU CA 3.283 H A 0031 HIS CD2
H A 0028 LEU CA 3.673 H A 0031 HIS CE1
H A 0028 LEU C 3.746 H A 0031 HIS CD2
H A 0028 LEU C 3.730 H A 0031 HIS CE1
H A 0029 GLN C 2.440 H A 0030 VAL CA
H A 0029 GLN C 3.038 H A 0030 VAL C
H A 0029 GLN C 3.741 H A 0030 VAL CB
H A 0030 VAL C 2.427 H A 0031 HIS CA
H A 0030 VAL C 2.999 H A 0031 HIS C
H A 0030 VAL C 3.730 H A 0031 HIS CB
H A 0031 HIS CA 3.794 H A 0032 LEU CA
H A 0031 HIS C 2.430 H A 0032 LEU CA
H A 0031 HIS C 2.983 H A 0032 LEU C
H A 0031 HIS C 3.708 H A 0032 LEU CB
H A 0031 HIS CG 3.493 H A 0042 THR CG2
H A 0031 HIS CE1 3.341 H A 0042 THR CG2
H A 0032 LEU C 2.438 H A 0033 LEU CA
H A 0032 LEU C 3.029 H A 0033 LEU C
H A 0032 LEU C 3.718 H A 0033 LEU CB
H A 0032 LEU CD1 3.467 C A 0037 ASN CA
H A 0032 LEU CD1 3.658 C A 0037 ASN C
H A 0033 LEU C 2.437 H A 0034 GLU CA
H A 0033 LEU C 3.055 H A 0034 GLU C
H A 0033 LEU C 3.710 H A 0034 GLU CB
H A 0034 GLU C 2.440 C A 0035 ASN CA
H A 0034 GLU C 3.184 C A 0035 ASN C
H A 0034 GLU C 3.691 C A 0035 ASN CB
C A 0035 ASN C 2.443 C A 0036 ASN CA
C A 0035 ASN C 2.931 C A 0036 ASN C
C A 0035 ASN C 3.123 C A 0036 ASN CB
C A 0035 ASN C 3.758 C A 0036 ASN CG
C A 0036 ASN C 2.444 C A 0037 ASN CA
C A 0036 ASN C 2.993 C A 0037 ASN C
C A 0036 ASN C 3.051 C A 0037 ASN CB
C A 0036 ASN C 3.620 C A 0037 ASN CG
C A 0037 ASN C 2.438 C A 0038 ASP CA
C A 0037 ASN C 3.287 C A 0038 ASP C
C A 0037 ASN C 3.638 C A 0038 ASP CB
C A 0038 ASP C 2.437 H A 0039 LEU CA
C A 0038 ASP C 3.327 H A 0039 LEU C
C A 0038 ASP C 3.629 H A 0039 LEU CB
C A 0038 ASP CG 3.708 H A 0041 LEU CB
H A 0039 LEU C 2.436 H A 0040 ASP CA
H A 0039 LEU C 3.014 H A 0040 ASP C
H A 0039 LEU C 3.714 H A 0040 ASP CB
H A 0040 ASP C 2.435 H A 0041 LEU CA
H A 0040 ASP C 3.103 H A 0041 LEU C
H A 0040 ASP C 3.706 H A 0041 LEU CB
H A 0041 LEU C 2.434 H A 0042 THR CA
H A 0041 LEU C 2.961 H A 0042 THR C
H A 0041 LEU C 3.734 H A 0042 THR CB
H A 0042 THR CA 3.799 H A 0043 ILE CA
H A 0042 THR C 2.428 H A 0043 ILE CA
H A 0042 THR C 2.992 H A 0043 ILE C
H A 0042 THR C 3.740 H A 0043 ILE CB
H A 0043 ILE CA 3.793 H A 0044 GLY CA
H A 0043 ILE C 2.419 H A 0044 GLY CA
H A 0043 ILE C 2.917 H A 0044 GLY C
H A 0044 GLY CA 3.795 H A 0045 LEU CA
H A 0044 GLY C 2.435 H A 0045 LEU CA
H A 0044 GLY C 3.078 H A 0045 LEU C
H A 0044 GLY C 3.708 H A 0045 LEU CB
H A 0045 LEU C 2.437 H A 0046 LEU CA
H A 0045 LEU C 3.030 H A 0046 LEU C
H A 0045 LEU C 3.716 H A 0046 LEU CB
H A 0045 LEU CD1 3.608 C A 0048 LYS CD
H A 0046 LEU C 2.440 H A 0047 LEU CA
H A 0046 LEU C 2.989 H A 0047 LEU C
H A 0046 LEU C 3.723 H A 0047 LEU CB
H A 0047 LEU C 2.439 C A 0048 LYS CA
H A 0047 LEU C 3.066 C A 0048 LYS C
H A 0047 LEU C 3.722 C A 0048 LYS CB
C A 0048 LYS C 2.442 C A 0049 GLU CA
C A 0048 LYS C 2.928 C A 0049 GLU C
C A 0048 LYS C 3.720 C A 0049 GLU CB
C A 0049 GLU C 2.435 C A 0050 ASN CA
C A 0049 GLU C 3.163 C A 0050 ASN C
C A 0049 GLU C 3.683 C A 0050 ASN CB
C A 0050 ASN C 2.436 C A 0051 ASP CA
C A 0050 ASN C 3.116 C A 0051 ASP C
C A 0050 ASN C 3.699 C A 0051 ASP CB
C A 0051 ASP C 2.443 C A 0052 ASP CA
C A 0051 ASP C 3.725 C A 0052 ASP C
C A 0051 ASP C 3.010 C A 0052 ASP CB
C A 0052 ASP C 2.438 C A 0053 LYS CA
C A 0052 ASP C 3.052 C A 0053 LYS C
C A 0052 ASP C 3.715 C A 0053 LYS CB
C A 0053 LYS C 2.439 C A 0054 SER CA
C A 0053 LYS C 3.719 C A 0054 SER C
C A 0053 LYS C 3.025 C A 0054 SER CB
CHARGE_ATTR 2.00 12.00 49
C A 0007 ASP OD1 10.58 H A 0009 HIS ND1
C A 0007 ASP OD1 10.18 H A 0009 HIS NE2
C A 0007 ASP OD2 10.64 H A 0009 HIS ND1
C A 0007 ASP OD2 10.56 H A 0009 HIS NE2
C A 0007 ASP OD1 10.60 H A 0012 LYS NZ
C A 0007 ASP OD2 9.161 H A 0012 LYS NZ
C A 0008 ASP OD1 9.719 H A 0009 HIS ND1
C A 0008 ASP OD1 9.194 H A 0009 HIS NE2
C A 0008 ASP OD2 10.20 H A 0009 HIS ND1
C A 0008 ASP OD2 10.10 H A 0009 HIS NE2
C A 0008 ASP OD1 9.166 H A 0012 LYS NZ
C A 0008 ASP OD2 8.209 H A 0012 LYS NZ
H A 0010 GLU OE1 5.860 H A 0009 HIS ND1
H A 0010 GLU OE1 4.730 H A 0009 HIS NE2
H A 0010 GLU OE2 5.423 H A 0009 HIS ND1
H A 0010 GLU OE2 3.754 H A 0009 HIS NE2
H A 0010 GLU OE1 8.968 H A 0012 LYS NZ
H A 0010 GLU OE2 10.25 H A 0012 LYS NZ
H A 0010 GLU OE1 10.07 H A 0025 LYS NZ
H A 0010 GLU OE2 9.123 H A 0025 LYS NZ
H A 0018 ASP OD1 11.74 H A 0025 LYS NZ
H A 0034 GLU OE1 11.26 H A 0009 HIS ND1
H A 0034 GLU OE2 11.40 H A 0009 HIS ND1
H A 0034 GLU OE2 11.98 H A 0027 LYS NZ
H A 0034 GLU OE1 9.921 H A 0031 HIS ND1
H A 0034 GLU OE1 11.71 H A 0031 HIS NE2
H A 0034 GLU OE2 9.997 H A 0031 HIS ND1
H A 0034 GLU OE2 11.52 H A 0031 HIS NE2
C A 0038 ASP OD1 11.72 H A 0009 HIS ND1
C A 0038 ASP OD1 7.394 H A 0012 LYS NZ
C A 0038 ASP OD2 8.921 H A 0012 LYS NZ
C A 0038 ASP OD1 9.224 H A 0031 HIS ND1
C A 0038 ASP OD1 10.62 H A 0031 HIS NE2
C A 0038 ASP OD2 9.656 H A 0031 HIS ND1
C A 0038 ASP OD2 11.25 H A 0031 HIS NE2
H A 0040 ASP OD2 11.95 H A 0012 LYS NZ
C A 0049 GLU OE1 9.120 H A 0027 LYS NZ
C A 0049 GLU OE2 8.894 H A 0027 LYS NZ
C A 0049 GLU OE1 11.71 H A 0031 HIS NE2
C A 0049 GLU OE2 11.02 H A 0031 HIS ND1
C A 0049 GLU OE2 10.71 H A 0031 HIS NE2
C A 0049 GLU OE1 6.964 C A 0048 LYS NZ
C A 0049 GLU OE2 7.022 C A 0048 LYS NZ
C A 0049 GLU OE1 11.35 C A 0053 LYS NZ
C A 0051 ASP OD1 7.689 C A 0048 LYS NZ
C A 0051 ASP OD2 5.731 C A 0048 LYS NZ
C A 0051 ASP OD1 11.41 C A 0053 LYS NZ
C A 0052 ASP OD1 8.371 C A 0053 LYS NZ
C A 0052 ASP OD2 9.487 C A 0053 LYS NZ
CHARGE_REPU 2.00 12.00 38
C A 0007 ASP OD1 4.715 C A 0008 ASP OD1
C A 0007 ASP OD1 4.260 C A 0008 ASP OD2
C A 0007 ASP OD2 4.046 C A 0008 ASP OD1
C A 0007 ASP OD2 2.639 C A 0008 ASP OD2
C A 0007 ASP OD1 7.264 H A 0010 GLU OE1
C A 0007 ASP OD1 7.710 H A 0010 GLU OE2
C A 0007 ASP OD2 7.455 H A 0010 GLU OE1
C A 0007 ASP OD2 8.424 H A 0010 GLU OE2
C A 0008 ASP OD1 4.869 H A 0010 GLU OE1
C A 0008 ASP OD1 6.507 H A 0010 GLU OE2
C A 0008 ASP OD2 6.367 H A 0010 GLU OE1
C A 0008 ASP OD2 7.930 H A 0010 GLU OE2
H A 0009 HIS ND1 7.681 H A 0012 LYS NZ
H A 0009 HIS NE2 9.212 H A 0012 LYS NZ
H A 0009 HIS ND1 8.881 H A 0025 LYS NZ
H A 0009 HIS NE2 7.596 H A 0025 LYS NZ
H A 0009 HIS ND1 8.753 H A 0031 HIS ND1
H A 0009 HIS ND1 9.784 H A 0031 HIS NE2
H A 0009 HIS NE2 10.17 H A 0031 HIS ND1
H A 0009 HIS NE2 10.90 H A 0031 HIS NE2
H A 0012 LYS NZ 11.35 H A 0031 HIS ND1
H A 0025 LYS NZ 11.25 H A 0031 HIS ND1
H A 0025 LYS NZ 10.62 H A 0031 HIS NE2
H A 0027 LYS NZ 8.819 H A 0031 HIS ND1
H A 0027 LYS NZ 7.927 H A 0031 HIS NE2
C A 0038 ASP OD1 6.166 H A 0040 ASP OD1
C A 0038 ASP OD1 5.328 H A 0040 ASP OD2
C A 0038 ASP OD2 6.925 H A 0040 ASP OD1
C A 0038 ASP OD2 5.499 H A 0040 ASP OD2
C A 0049 GLU OE1 9.206 C A 0051 ASP OD1
C A 0049 GLU OE1 8.685 C A 0051 ASP OD2
C A 0049 GLU OE2 10.91 C A 0051 ASP OD1
C A 0049 GLU OE2 10.06 C A 0051 ASP OD2
C A 0049 GLU OE1 11.96 C A 0052 ASP OD2
C A 0051 ASP OD1 5.764 C A 0052 ASP OD1
C A 0051 ASP OD1 5.411 C A 0052 ASP OD2
C A 0051 ASP OD2 7.912 C A 0052 ASP OD1
C A 0051 ASP OD2 7.590 C A 0052 ASP OD2
HB_MM 2.00 3.20 92
C A 0007 ASP N 2.249 C A 0006 ASN O
C A 0008 ASP N 2.250 C A 0007 ASP O
H A 0009 HIS N 2.249 C A 0008 ASP O
H A 0010 GLU N 2.256 H A 0009 HIS O
H A 0011 SER N 3.107 H A 0009 HIS O
H A 0011 SER N 2.249 H A 0010 GLU O
H A 0012 LYS N 2.827 H A 0009 HIS O
H A 0012 LYS N 2.256 H A 0011 SER O
H A 0013 LEU N 2.768 H A 0009 HIS O
H A 0013 LEU N 3.081 H A 0010 GLU O
H A 0013 LEU N 2.255 H A 0012 LYS O
H A 0014 SER N 2.802 H A 0010 GLU O
H A 0014 SER N 3.072 H A 0011 SER O
H A 0014 SER N 2.256 H A 0013 LEU O
H A 0015 ILE N 3.070 H A 0011 SER O
H A 0015 ILE N 2.981 H A 0012 LYS O
H A 0015 ILE N 2.262 H A 0014 SER O
H A 0016 LEU N 3.002 H A 0012 LYS O
H A 0016 LEU N 2.996 H A 0013 LEU O
H A 0016 LEU N 3.183 H A 0014 SER O
H A 0016 LEU N 2.254 H A 0015 ILE O
H A 0017 MET N 2.929 H A 0013 LEU O
H A 0017 MET N 2.996 H A 0014 SER O
H A 0017 MET N 2.251 H A 0016 LEU O
H A 0018 ASP N 3.122 H A 0014 SER O
H A 0018 ASP N 2.252 H A 0017 MET O
H A 0019 MET N 2.588 H A 0015 ILE O
H A 0019 MET N 3.034 H A 0016 LEU O
H A 0019 MET N 2.253 H A 0018 ASP O
C A 0020 PHE N 2.802 H A 0016 LEU O
C A 0020 PHE N 2.253 H A 0019 MET O
C A 0021 PRO N 2.254 C A 0020 PHE O
C A 0022 ALA N 2.834 C A 0020 PHE O
C A 0022 ALA N 2.249 C A 0021 PRO O
C A 0023 ILE N 2.250 C A 0022 ALA O
C A 0024 SER N 2.252 C A 0023 ILE O
H A 0025 LYS N 2.252 C A 0024 SER O
H A 0026 SER N 3.054 C A 0024 SER O
H A 0026 SER N 2.252 H A 0025 LYS O
H A 0027 LYS N 3.004 C A 0024 SER O
H A 0027 LYS N 2.251 H A 0026 SER O
H A 0028 LEU N 3.170 C A 0024 SER O
H A 0028 LEU N 2.250 H A 0027 LYS O
H A 0029 GLN N 2.971 H A 0025 LYS O
H A 0029 GLN N 2.248 H A 0028 LEU O
H A 0030 VAL N 3.041 H A 0026 SER O
H A 0030 VAL N 3.176 H A 0027 LYS O
H A 0030 VAL N 2.250 H A 0029 GLN O
H A 0031 HIS N 2.995 H A 0027 LYS O
H A 0031 HIS N 2.252 H A 0030 VAL O
H A 0032 LEU N 3.034 H A 0028 LEU O
H A 0032 LEU N 2.245 H A 0031 HIS O
H A 0033 LEU N 2.969 H A 0029 GLN O
H A 0033 LEU N 2.248 H A 0032 LEU O
H A 0034 GLU N 3.125 H A 0030 VAL O
H A 0034 GLU N 2.250 H A 0033 LEU O
C A 0035 ASN N 2.867 H A 0031 HIS O
C A 0035 ASN N 2.249 H A 0034 GLU O
C A 0036 ASN N 2.860 H A 0034 GLU O
C A 0036 ASN N 2.249 C A 0035 ASN O
C A 0037 ASN N 2.679 H A 0032 LEU O
C A 0037 ASN N 3.025 C A 0035 ASN O
C A 0037 ASN N 2.252 C A 0036 ASN O
C A 0038 ASP N 2.808 C A 0035 ASN O
C A 0038 ASP N 2.250 C A 0037 ASN O
H A 0039 LEU N 2.251 C A 0038 ASP O
H A 0040 ASP N 2.242 H A 0039 LEU O
H A 0041 LEU N 2.249 H A 0040 ASP O
H A 0042 THR N 2.254 H A 0041 LEU O
H A 0043 ILE N 2.843 H A 0039 LEU O
H A 0043 ILE N 2.250 H A 0042 THR O
H A 0044 GLY N 2.945 H A 0040 ASP O
H A 0044 GLY N 3.159 H A 0041 LEU O
H A 0044 GLY N 2.253 H A 0043 ILE O
H A 0045 LEU N 3.104 H A 0041 LEU O
H A 0045 LEU N 3.175 H A 0043 ILE O
H A 0045 LEU N 2.252 H A 0044 GLY O
H A 0046 LEU N 3.050 H A 0042 THR O
H A 0046 LEU N 2.917 H A 0043 ILE O
H A 0046 LEU N 2.248 H A 0045 LEU O
H A 0047 LEU N 2.806 H A 0043 ILE O
H A 0047 LEU N 2.252 H A 0046 LEU O
C A 0048 LYS N 2.252 H A 0047 LEU O
C A 0049 GLU N 2.253 C A 0048 LYS O
C A 0050 ASN N 3.067 C A 0048 LYS O
C A 0050 ASN N 2.250 C A 0049 GLU O
C A 0051 ASP N 2.922 C A 0048 LYS O
C A 0051 ASP N 2.808 C A 0049 GLU O
C A 0051 ASP N 2.250 C A 0050 ASN O
C A 0052 ASP N 2.254 C A 0051 ASP O
C A 0053 LYS N 2.251 C A 0052 ASP O
C A 0054 SER N 2.253 C A 0053 LYS O
HB_MS 2.00 3.20 5
H A 0028 LEU O 3.107 H A 0031 HIS ND1
H A 0031 HIS O 2.745 C A 0035 ASN ND2
C A 0038 ASP O 2.743 H A 0042 THR OG1
H A 0039 LEU N 2.707 C A 0038 ASP OD1
H A 0040 ASP N 3.044 C A 0038 ASP OD1
HB_SS 2.00 3.20 3
H A 0009 HIS NE2 3.015 C A 0006 ASN OD1
H A 0009 HIS ND1 2.849 C A 0037 ASN OD1
C A 0035 ASN ND2 2.821 H A 0042 THR OG1
AROMATIC 0.00 8.00 2
H A 0027 LYS 7.760 H A 0031 HIS
H A 0012 LYS 7.989 H A 0009 HIS
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 18
H A 0015 ILE CG2 3.338 C B 0008 LEU CD1
H A 0018 ASP C 3.294 E B 0068 HIS CE1
H A 0018 ASP CB 3.342 E B 0068 HIS CE1
H A 0019 MET CA 3.432 E B 0068 HIS CE1
H A 0019 MET CE 3.312 E B 0068 HIS CB
H A 0019 MET CE 3.638 E B 0068 HIS CG
H A 0019 MET CE 3.667 E B 0070 VAL CG2
C A 0020 PHE CD1 3.641 C B 0047 GLY CA
C A 0038 ASP CG 3.322 C B 0076 GLY CA
H A 0039 LEU CB 3.543 C B 0008 LEU CD2
H A 0039 LEU CD1 3.431 C B 0008 LEU CG
H A 0039 LEU CD1 3.450 C B 0008 LEU CD1
H A 0039 LEU CD1 3.442 C B 0008 LEU CD2
H A 0043 ILE CG2 3.229 E B 0044 ILE CD1
H A 0047 LEU CD2 3.516 E B 0044 ILE CG1
H A 0047 LEU CD2 3.470 E B 0044 ILE CG2
H A 0047 LEU CD2 3.684 E B 0044 ILE CD1
H A 0047 LEU CD2 3.541 E B 0048 LYS CA
CHARGE_ATTR 2.00 12.00 25
H A 0018 ASP OD1 6.382 E B 0006 LYS NZ
H A 0018 ASP OD2 6.256 E B 0006 LYS NZ
H A 0018 ASP OD1 6.653 E B 0068 HIS ND1
H A 0018 ASP OD1 5.805 E B 0068 HIS NE2
H A 0018 ASP OD2 6.535 E B 0068 HIS ND1
H A 0018 ASP OD2 5.073 E B 0068 HIS NE2
C A 0038 ASP OD1 11.57 C B 0074 ARG NH2
C A 0038 ASP OD2 11.87 C B 0074 ARG NH2
H A 0040 ASP OD1 7.708 E B 0042 ARG NH1
H A 0040 ASP OD1 6.487 E B 0042 ARG NH2
H A 0040 ASP OD2 8.967 E B 0042 ARG NH1
H A 0040 ASP OD2 7.310 E B 0042 ARG NH2
H A 0040 ASP OD1 8.340 C B 0072 ARG NH1
H A 0040 ASP OD1 8.429 C B 0072 ARG NH2
H A 0040 ASP OD2 8.349 C B 0072 ARG NH1
H A 0040 ASP OD2 7.846 C B 0072 ARG NH2
H A 0040 ASP OD2 11.66 C B 0074 ARG NH1
H A 0040 ASP OD2 11.99 C B 0074 ARG NH2
C A 0049 GLU OE1 10.99 E B 0048 LYS NZ
C A 0051 ASP OD1 7.766 E B 0048 LYS NZ
C A 0051 ASP OD2 7.896 E B 0048 LYS NZ
C A 0051 ASP OD1 11.26 C B 0054 ARG NH1
C A 0051 ASP OD2 11.31 C B 0054 ARG NH1
C A 0052 ASP OD1 8.859 E B 0048 LYS NZ
C A 0052 ASP OD2 10.36 E B 0048 LYS NZ
CHARGE_REPU 2.00 12.00 10
H A 0012 LYS NZ 11.72 C B 0074 ARG NH2
H A 0031 HIS NE2 11.81 E B 0068 HIS ND1
C A 0048 LYS NZ 10.79 E B 0048 LYS NZ
C A 0051 ASP OD1 9.827 C B 0051 GLU OE1
C A 0051 ASP OD1 8.726 C B 0051 GLU OE2
C A 0051 ASP OD2 9.274 C B 0051 GLU OE1
C A 0051 ASP OD2 8.497 C B 0051 GLU OE2
C A 0052 ASP OD1 10.74 C B 0051 GLU OE2
C A 0052 ASP OD2 11.83 C B 0051 GLU OE2
C A 0053 LYS NZ 10.07 E B 0048 LYS NZ
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 335
C B 0001 MET C 2.436 E B 0002 GLN CA
C B 0001 MET C 3.668 E B 0002 GLN C
C B 0001 MET C 3.222 E B 0002 GLN CB
C B 0001 MET C 3.650 E B 0002 GLN CD
C B 0001 MET CE 3.527 H B 0056 LEU CD1
E B 0002 GLN CA 3.798 E B 0003 ILE CA
E B 0002 GLN C 2.433 E B 0003 ILE CA
E B 0002 GLN C 3.487 E B 0003 ILE C
E B 0002 GLN C 3.501 E B 0003 ILE CB
E B 0002 GLN C 3.531 E B 0003 ILE CG2
E B 0002 GLN CB 3.464 E B 0014 THR CG2
E B 0002 GLN CG 3.466 E B 0014 THR CG2
E B 0003 ILE C 2.434 E B 0004 PHE CA
E B 0003 ILE C 3.159 E B 0004 PHE C
E B 0003 ILE C 3.692 E B 0004 PHE CB
E B 0003 ILE C 3.798 E B 0004 PHE CD1
E B 0003 ILE CD1 3.604 H B 0026 VAL CG1
E B 0003 ILE CD1 3.752 H B 0026 VAL CG2
E B 0004 PHE C 2.433 E B 0005 VAL CA
E B 0004 PHE C 3.532 E B 0005 VAL C
E B 0004 PHE C 3.452 E B 0005 VAL CB
E B 0004 PHE C 3.417 E B 0005 VAL CG2
E B 0004 PHE CD1 3.715 C B 0064 GLU CA
E B 0004 PHE CE1 3.567 C B 0064 GLU CB
E B 0004 PHE CE1 3.655 C B 0064 GLU CG
E B 0005 VAL C 2.439 E B 0006 LYS CA
E B 0005 VAL C 3.160 E B 0006 LYS C
E B 0005 VAL C 3.686 E B 0006 LYS CB
E B 0005 VAL C 3.735 E B 0012 THR CA
E B 0005 VAL CG2 3.402 E B 0015 LEU CD2
E B 0005 VAL CG1 3.563 H B 0030 ILE CD1
E B 0005 VAL CG2 3.560 H B 0030 ILE CD1
E B 0006 LYS C 2.437 E B 0007 THR CA
E B 0006 LYS C 3.280 E B 0007 THR C
E B 0006 LYS C 3.665 E B 0007 THR CB
E B 0006 LYS CA 3.586 E B 0012 THR CG2
E B 0006 LYS CB 3.449 E B 0012 THR CG2
E B 0006 LYS CG 3.755 E B 0012 THR CG2
E B 0006 LYS CB 3.750 E B 0066 THR CG2
E B 0006 LYS CB 3.770 E B 0068 HIS CD2
E B 0007 THR C 2.440 C B 0008 LEU CA
E B 0007 THR C 2.935 C B 0008 LEU C
E B 0007 THR C 3.715 C B 0008 LEU CB
C B 0008 LEU C 2.439 C B 0009 THR CA
C B 0008 LEU C 3.104 C B 0009 THR C
C B 0008 LEU C 3.730 C B 0009 THR CB
C B 0008 LEU CB 3.724 E B 0070 VAL CG2
C B 0008 LEU CD1 3.397 E B 0070 VAL CG2
C B 0008 LEU CD2 3.376 E B 0070 VAL CG1
C B 0009 THR CA 3.799 C B 0010 GLY CA
C B 0009 THR C 2.418 C B 0010 GLY CA
C B 0009 THR C 3.696 C B 0010 GLY C
C B 0010 GLY C 2.436 C B 0011 LYS CA
C B 0010 GLY C 3.690 C B 0011 LYS C
C B 0010 GLY C 3.171 C B 0011 LYS CB
C B 0011 LYS C 2.437 E B 0012 THR CA
C B 0011 LYS C 3.396 E B 0012 THR C
C B 0011 LYS C 3.599 E B 0012 THR CB
C B 0011 LYS C 3.754 E B 0012 THR CG2
E B 0012 THR C 2.436 E B 0013 ILE CA
E B 0012 THR C 3.510 E B 0013 ILE C
E B 0012 THR C 3.495 E B 0013 ILE CB
E B 0012 THR C 3.509 E B 0013 ILE CG1
E B 0013 ILE C 2.432 E B 0014 THR CA
E B 0013 ILE C 3.235 E B 0014 THR C
E B 0013 ILE C 3.680 E B 0014 THR CB
E B 0013 ILE C 3.413 E B 0015 LEU CD2
E B 0013 ILE CB 3.728 E B 0015 LEU CD2
E B 0013 ILE CG2 3.212 E B 0015 LEU CD2
E B 0013 ILE CG2 3.602 H B 0033 LYS CD
E B 0013 ILE CD1 3.476 H B 0034 GLU CG
E B 0013 ILE CD1 3.504 H B 0034 GLU CD
E B 0014 THR C 2.436 E B 0015 LEU CA
E B 0014 THR C 3.519 E B 0015 LEU C
E B 0014 THR C 3.468 E B 0015 LEU CB
E B 0014 THR C 3.694 E B 0015 LEU CG
E B 0014 THR C 3.173 E B 0015 LEU CD2
E B 0015 LEU C 2.430 E B 0016 GLU CA
E B 0015 LEU C 3.109 E B 0016 GLU C
E B 0015 LEU C 3.694 E B 0016 GLU CB
E B 0015 LEU CD1 3.729 H B 0033 LYS CD
E B 0015 LEU CD1 3.342 H B 0033 LYS CE
E B 0016 GLU C 2.434 C B 0017 VAL CA
E B 0016 GLU C 3.661 C B 0017 VAL C
E B 0016 GLU C 3.284 C B 0017 VAL CB
E B 0016 GLU C 3.188 C B 0017 VAL CG1
C B 0017 VAL C 2.438 C B 0018 GLU CA
C B 0017 VAL C 3.092 C B 0018 GLU C
C B 0017 VAL C 3.708 C B 0018 GLU CB
C B 0017 VAL CG1 3.649 H B 0026 VAL CG2
C B 0018 GLU CA 3.800 C B 0019 SER CA
C B 0018 GLU C 2.431 C B 0019 SER CA
C B 0018 GLU C 2.945 C B 0019 SER C
C B 0018 GLU C 3.715 C B 0019 SER CB
C B 0019 SER C 2.436 C B 0020 SER CA
C B 0019 SER C 3.387 C B 0020 SER C
C B 0019 SER C 3.574 C B 0020 SER CB
C B 0019 SER CA 3.793 H B 0056 LEU CD1
C B 0020 SER C 2.434 C B 0021 ASP CA
C B 0020 SER C 3.193 C B 0021 ASP C
C B 0020 SER C 3.671 C B 0021 ASP CB
C B 0021 ASP C 2.438 C B 0022 THR CA
C B 0021 ASP C 3.714 C B 0022 THR C
C B 0021 ASP C 3.094 C B 0022 THR CB
C B 0021 ASP C 3.601 C B 0022 THR CG2
C B 0022 THR C 2.437 H B 0023 ILE CA
C B 0022 THR C 2.980 H B 0023 ILE C
C B 0022 THR C 3.742 H B 0023 ILE CB
C B 0022 THR CG2 3.405 H B 0025 ASN CB
H B 0023 ILE C 2.438 H B 0024 ASP CA
H B 0023 ILE C 2.944 H B 0024 ASP C
H B 0023 ILE C 3.720 H B 0024 ASP CB
H B 0023 ILE CG2 3.572 C B 0050 LEU CB
H B 0023 ILE CD1 3.689 C B 0050 LEU CD1
H B 0023 ILE CD1 3.797 C B 0061 ILE CD1
H B 0024 ASP C 2.433 H B 0025 ASN CA
H B 0024 ASP C 2.962 H B 0025 ASN C
H B 0024 ASP C 3.715 H B 0025 ASN CB
H B 0024 ASP CB 3.749 C B 0053 GLY CA
H B 0025 ASN CA 3.800 H B 0026 VAL CA
H B 0025 ASN C 2.436 H B 0026 VAL CA
H B 0025 ASN C 2.980 H B 0026 VAL C
H B 0025 ASN C 3.739 H B 0026 VAL CB
H B 0026 VAL C 2.437 H B 0027 LYS CA
H B 0026 VAL C 2.990 H B 0027 LYS C
H B 0026 VAL C 3.725 H B 0027 LYS CB
H B 0026 VAL CG1 3.722 H B 0030 ILE CD1
H B 0027 LYS C 2.438 H B 0028 SER CA
H B 0027 LYS C 3.022 H B 0028 SER C
H B 0027 LYS C 3.714 H B 0028 SER CB
H B 0027 LYS CG 3.730 E B 0043 LEU CG
H B 0027 LYS CG 3.618 E B 0043 LEU CD2
H B 0027 LYS CD 3.767 E B 0043 LEU CD2
H B 0027 LYS CE 3.501 E B 0043 LEU CD2
H B 0028 SER C 2.436 H B 0029 LYS CA
H B 0028 SER C 3.019 H B 0029 LYS C
H B 0028 SER C 3.715 H B 0029 LYS CB
H B 0029 LYS C 2.430 H B 0030 ILE CA
H B 0029 LYS C 2.949 H B 0030 ILE C
H B 0029 LYS C 3.737 H B 0030 ILE CB
H B 0030 ILE CA 3.798 H B 0031 GLN CA
H B 0030 ILE C 2.439 H B 0031 GLN CA
H B 0030 ILE C 3.020 H B 0031 GLN C
H B 0030 ILE C 3.713 H B 0031 GLN CB
H B 0030 ILE CD1 3.756 E B 0043 LEU CD1
H B 0031 GLN CA 3.796 H B 0032 ASP CA
H B 0031 GLN C 2.430 H B 0032 ASP CA
H B 0031 GLN C 3.026 H B 0032 ASP C
H B 0031 GLN C 3.707 H B 0032 ASP CB
H B 0031 GLN CD 3.607 C B 0038 PRO CD
H B 0032 ASP C 2.437 H B 0033 LYS CA
H B 0032 ASP C 3.112 H B 0033 LYS C
H B 0032 ASP C 3.704 H B 0033 LYS CB
H B 0033 LYS C 2.442 H B 0034 GLU CA
H B 0033 LYS C 3.141 H B 0034 GLU C
H B 0033 LYS C 3.704 H B 0034 GLU CB
H B 0034 GLU CA 3.790 C B 0035 GLY CA
H B 0034 GLU C 2.416 C B 0035 GLY CA
H B 0034 GLU C 3.275 C B 0035 GLY C
C B 0035 GLY CA 3.793 C B 0036 ILE CA
C B 0035 GLY C 2.441 C B 0036 ILE CA
C B 0035 GLY C 3.358 C B 0036 ILE C
C B 0035 GLY C 3.621 C B 0036 ILE CB
C B 0035 GLY C 3.789 C B 0036 ILE CG1
C B 0036 ILE CA 2.925 C B 0037 PRO CD
C B 0036 ILE C 2.465 C B 0037 PRO CA
C B 0036 ILE C 3.015 C B 0037 PRO C
C B 0036 ILE C 3.659 C B 0037 PRO CB
C B 0036 ILE C 3.635 C B 0037 PRO CG
C B 0036 ILE C 2.511 C B 0037 PRO CD
C B 0036 ILE CB 3.747 C B 0037 PRO CD
C B 0036 ILE CG2 3.372 C B 0037 PRO CD
C B 0036 ILE CG2 3.446 E B 0071 LEU CD2
C B 0037 PRO CA 2.916 C B 0038 PRO CD
C B 0037 PRO C 2.469 C B 0038 PRO CA
C B 0037 PRO C 3.045 C B 0038 PRO C
C B 0037 PRO C 3.666 C B 0038 PRO CB
C B 0037 PRO C 3.605 C B 0038 PRO CG
C B 0037 PRO C 2.506 C B 0038 PRO CD
C B 0037 PRO CB 3.575 C B 0040 GLN CG
C B 0037 PRO CG 3.755 C B 0040 GLN CG
C B 0038 PRO C 2.436 C B 0039 ASP CA
C B 0038 PRO C 3.009 C B 0039 ASP C
C B 0038 PRO C 3.715 C B 0039 ASP CB
C B 0038 PRO CA 3.563 E B 0041 GLN CG
C B 0038 PRO C 3.698 E B 0041 GLN CG
C B 0039 ASP C 2.438 C B 0040 GLN CA
C B 0039 ASP C 3.051 C B 0040 GLN C
C B 0039 ASP C 3.715 C B 0040 GLN CB
C B 0040 GLN C 2.436 E B 0041 GLN CA
C B 0040 GLN C 3.081 E B 0041 GLN C
C B 0040 GLN C 3.709 E B 0041 GLN CB
C B 0040 GLN CA 3.731 C B 0072 ARG CB
E B 0041 GLN C 2.437 E B 0042 ARG CA
E B 0041 GLN C 3.420 E B 0042 ARG C
E B 0041 GLN C 3.547 E B 0042 ARG CB
E B 0041 GLN C 3.717 E B 0042 ARG CG
E B 0041 GLN CB 3.712 E B 0069 LEU CG
E B 0041 GLN CB 3.460 E B 0069 LEU CD2
E B 0042 ARG C 2.435 E B 0043 LEU CA
E B 0042 ARG C 3.184 E B 0043 LEU C
E B 0042 ARG C 3.683 E B 0043 LEU CB
E B 0042 ARG C 3.783 E B 0043 LEU CD2
E B 0043 LEU C 2.439 E B 0044 ILE CA
E B 0043 LEU C 3.223 E B 0044 ILE C
E B 0043 LEU C 3.696 E B 0044 ILE CB
E B 0044 ILE CA 3.797 E B 0045 PHE CA
E B 0044 ILE C 2.437 E B 0045 PHE CA
E B 0044 ILE C 3.689 E B 0045 PHE C
E B 0044 ILE C 3.099 E B 0045 PHE CB
E B 0044 ILE CA 3.749 E B 0049 GLN CA
E B 0044 ILE CD1 3.781 E B 0070 VAL CG2
E B 0045 PHE C 2.427 C B 0046 ALA CA
E B 0045 PHE C 2.953 C B 0046 ALA C
E B 0045 PHE C 3.027 C B 0046 ALA CB
E B 0045 PHE CB 3.632 C B 0050 LEU CG
E B 0045 PHE CB 3.762 C B 0050 LEU CD1
E B 0045 PHE CB 3.596 C B 0050 LEU CD2
E B 0045 PHE CE2 3.477 C B 0061 ILE CG1
E B 0045 PHE CZ 3.752 C B 0065 SER CB
C B 0046 ALA CA 3.790 C B 0047 GLY CA
C B 0046 ALA C 2.427 C B 0047 GLY CA
C B 0046 ALA C 3.129 C B 0047 GLY C
C B 0047 GLY C 2.437 E B 0048 LYS CA
C B 0047 GLY C 3.731 E B 0048 LYS C
C B 0047 GLY C 3.030 E B 0048 LYS CB
E B 0048 LYS C 2.436 E B 0049 GLN CA
E B 0048 LYS C 2.992 E B 0049 GLN C
E B 0048 LYS C 3.716 E B 0049 GLN CB
E B 0049 GLN C 2.435 C B 0050 LEU CA
E B 0049 GLN C 3.092 C B 0050 LEU C
E B 0049 GLN C 3.705 C B 0050 LEU CB
C B 0050 LEU C 2.436 C B 0051 GLU CA
C B 0050 LEU C 3.064 C B 0051 GLU C
C B 0050 LEU C 3.709 C B 0051 GLU CB
C B 0050 LEU CD2 3.426 H B 0059 TYR CD2
C B 0050 LEU CD2 3.514 H B 0059 TYR CE2
C B 0050 LEU CD1 3.568 C B 0061 ILE CD1
C B 0050 LEU CD1 3.522 E B 0067 LEU CD2
C B 0051 GLU CA 3.799 C B 0052 ASP CA
C B 0051 GLU C 2.432 C B 0052 ASP CA
C B 0051 GLU C 3.052 C B 0052 ASP C
C B 0051 GLU C 3.713 C B 0052 ASP CB
C B 0051 GLU CB 3.529 C B 0054 ARG CG
C B 0052 ASP CA 3.793 C B 0053 GLY CA
C B 0052 ASP C 2.419 C B 0053 GLY CA
C B 0052 ASP C 3.131 C B 0053 GLY C
C B 0053 GLY C 2.436 C B 0054 ARG CA
C B 0053 GLY C 3.572 C B 0054 ARG C
C B 0053 GLY C 3.391 C B 0054 ARG CB
C B 0053 GLY C 3.434 C B 0054 ARG CG
C B 0053 GLY C 3.720 C B 0054 ARG CD
C B 0054 ARG C 2.438 C B 0055 THR CA
C B 0054 ARG C 3.083 C B 0055 THR C
C B 0054 ARG C 3.734 C B 0055 THR CB
C B 0054 ARG CB 3.613 H B 0059 TYR CE1
C B 0055 THR C 2.446 H B 0056 LEU CA
C B 0055 THR C 2.984 H B 0056 LEU C
C B 0055 THR C 3.722 H B 0056 LEU CB
H B 0056 LEU C 2.443 H B 0057 SER CA
H B 0056 LEU C 2.976 H B 0057 SER C
H B 0056 LEU C 3.718 H B 0057 SER CB
H B 0056 LEU CD2 3.742 C B 0061 ILE CB
H B 0056 LEU CD2 3.421 C B 0061 ILE CD1
H B 0057 SER C 2.436 H B 0058 ASP CA
H B 0057 SER C 3.002 H B 0058 ASP C
H B 0057 SER C 3.719 H B 0058 ASP CB
H B 0058 ASP C 2.432 H B 0059 TYR CA
H B 0058 ASP C 3.149 H B 0059 TYR C
H B 0058 ASP C 3.692 H B 0059 TYR CB
H B 0059 TYR C 2.438 C B 0060 ASN CA
H B 0059 TYR C 2.988 C B 0060 ASN C
H B 0059 TYR C 3.030 C B 0060 ASN CB
H B 0059 TYR C 3.607 C B 0060 ASN CG
H B 0059 TYR CB 3.652 C B 0061 ILE CG1
C B 0060 ASN C 2.435 C B 0061 ILE CA
C B 0060 ASN C 3.064 C B 0061 ILE C
C B 0060 ASN C 3.730 C B 0061 ILE CB
C B 0061 ILE C 2.437 C B 0062 GLN CA
C B 0061 ILE C 3.146 C B 0062 GLN C
C B 0061 ILE C 3.690 C B 0062 GLN CB
C B 0061 ILE CG2 3.577 C B 0065 SER CB
C B 0062 GLN C 2.436 C B 0063 LYS CA
C B 0062 GLN C 3.361 C B 0063 LYS C
C B 0062 GLN C 3.590 C B 0063 LYS CB
C B 0063 LYS C 2.439 C B 0064 GLU CA
C B 0063 LYS C 3.002 C B 0064 GLU C
C B 0063 LYS C 3.020 C B 0064 GLU CB
C B 0063 LYS C 3.655 C B 0064 GLU CG
C B 0064 GLU CA 3.798 C B 0065 SER CA
C B 0064 GLU C 2.431 C B 0065 SER CA
C B 0064 GLU C 3.058 C B 0065 SER C
C B 0064 GLU C 3.705 C B 0065 SER CB
C B 0065 SER C 2.433 E B 0066 THR CA
C B 0065 SER C 3.246 E B 0066 THR C
C B 0065 SER C 3.677 E B 0066 THR CB
C B 0065 SER C 3.502 E B 0067 LEU CD1
C B 0065 SER CB 3.475 E B 0067 LEU CD1
E B 0066 THR C 2.435 E B 0067 LEU CA
E B 0066 THR C 3.209 E B 0067 LEU C
E B 0066 THR C 3.677 E B 0067 LEU CB
E B 0066 THR C 3.792 E B 0067 LEU CD1
E B 0067 LEU C 2.433 E B 0068 HIS CA
E B 0067 LEU C 3.242 E B 0068 HIS C
E B 0067 LEU C 3.656 E B 0068 HIS CB
E B 0068 HIS CA 3.799 E B 0069 LEU CA
E B 0068 HIS C 2.438 E B 0069 LEU CA
E B 0068 HIS C 3.528 E B 0069 LEU C
E B 0068 HIS C 3.427 E B 0069 LEU CB
E B 0069 LEU C 2.433 E B 0070 VAL CA
E B 0069 LEU C 3.473 E B 0070 VAL C
E B 0069 LEU C 3.516 E B 0070 VAL CB
E B 0069 LEU C 3.558 E B 0070 VAL CG2
E B 0069 LEU CD2 3.701 E B 0071 LEU CD2
E B 0070 VAL C 2.436 E B 0071 LEU CA
E B 0070 VAL C 3.124 E B 0071 LEU C
E B 0070 VAL C 3.698 E B 0071 LEU CB
E B 0071 LEU CA 3.797 C B 0072 ARG CA
E B 0071 LEU C 2.435 C B 0072 ARG CA
E B 0071 LEU C 3.121 C B 0072 ARG C
E B 0071 LEU C 3.696 C B 0072 ARG CB
C B 0072 ARG C 2.441 C B 0073 LEU CA
C B 0072 ARG C 2.991 C B 0073 LEU C
C B 0072 ARG C 3.719 C B 0073 LEU CB
C B 0073 LEU C 2.442 C B 0074 ARG CA
C B 0073 LEU C 3.007 C B 0074 ARG C
C B 0073 LEU C 3.025 C B 0074 ARG CB
C B 0073 LEU C 3.638 C B 0074 ARG CG
C B 0073 LEU CG 3.714 C B 0074 ARG CG
C B 0074 ARG CA 3.799 C B 0075 GLY CA
C B 0074 ARG C 2.419 C B 0075 GLY CA
C B 0074 ARG C 3.025 C B 0075 GLY C
C B 0075 GLY CA 3.785 C B 0076 GLY CA
C B 0075 GLY C 2.417 C B 0076 GLY CA
C B 0075 GLY C 3.017 C B 0076 GLY C
CHARGE_ATTR 2.00 12.00 58
E B 0016 GLU OE1 5.727 H B 0029 LYS NZ
E B 0016 GLU OE2 7.440 H B 0029 LYS NZ
E B 0016 GLU OE1 9.321 H B 0033 LYS NZ
E B 0016 GLU OE2 10.26 H B 0033 LYS NZ
C B 0018 GLU OE1 8.341 H B 0029 LYS NZ
C B 0018 GLU OE2 7.842 H B 0029 LYS NZ
C B 0021 ASP OD1 11.11 H B 0027 LYS NZ
C B 0021 ASP OD2 11.00 H B 0027 LYS NZ
C B 0021 ASP OD1 6.284 H B 0029 LYS NZ
C B 0021 ASP OD2 4.571 H B 0029 LYS NZ
C B 0021 ASP OD2 12.00 H B 0033 LYS NZ
H B 0024 ASP OD1 7.114 H B 0027 LYS NZ
H B 0024 ASP OD2 6.554 H B 0027 LYS NZ
H B 0024 ASP OD1 10.52 H B 0029 LYS NZ
H B 0024 ASP OD2 11.63 C B 0054 ARG NH1
H B 0032 ASP OD1 10.98 H B 0029 LYS NZ
H B 0032 ASP OD2 9.512 H B 0029 LYS NZ
H B 0032 ASP OD1 9.673 H B 0033 LYS NZ
H B 0032 ASP OD2 7.682 H B 0033 LYS NZ
H B 0034 GLU OE1 4.242 C B 0011 LYS NZ
H B 0034 GLU OE2 3.151 C B 0011 LYS NZ
H B 0034 GLU OE1 9.678 H B 0033 LYS NZ
H B 0034 GLU OE2 7.570 H B 0033 LYS NZ
C B 0039 ASP OD1 9.412 H B 0027 LYS NZ
C B 0039 ASP OD2 11.57 H B 0027 LYS NZ
C B 0039 ASP OD1 6.775 E B 0042 ARG NH1
C B 0039 ASP OD1 7.549 E B 0042 ARG NH2
C B 0039 ASP OD2 7.587 E B 0042 ARG NH1
C B 0039 ASP OD2 7.746 E B 0042 ARG NH2
C B 0039 ASP OD1 7.442 C B 0072 ARG NH1
C B 0039 ASP OD1 9.679 C B 0072 ARG NH2
C B 0039 ASP OD2 6.535 C B 0072 ARG NH1
C B 0039 ASP OD2 8.595 C B 0072 ARG NH2
C B 0051 GLU OE1 9.413 H B 0027 LYS NZ
C B 0051 GLU OE2 9.779 H B 0027 LYS NZ
C B 0051 GLU OE1 8.907 E B 0048 LYS NZ
C B 0051 GLU OE2 6.986 E B 0048 LYS NZ
C B 0051 GLU OE1 3.493 C B 0054 ARG NH1
C B 0051 GLU OE1 5.628 C B 0054 ARG NH2
C B 0051 GLU OE2 3.021 C B 0054 ARG NH1
C B 0051 GLU OE2 4.884 C B 0054 ARG NH2
C B 0052 ASP OD1 6.079 H B 0027 LYS NZ
C B 0052 ASP OD2 6.216 H B 0027 LYS NZ
C B 0052 ASP OD1 9.897 E B 0042 ARG NH1
C B 0052 ASP OD1 11.98 E B 0042 ARG NH2
C B 0052 ASP OD2 9.202 E B 0042 ARG NH1
C B 0052 ASP OD2 11.15 E B 0042 ARG NH2
C B 0052 ASP OD1 7.665 C B 0054 ARG NH1
C B 0052 ASP OD1 9.674 C B 0054 ARG NH2
C B 0052 ASP OD2 9.848 C B 0054 ARG NH1
C B 0052 ASP OD2 11.83 C B 0054 ARG NH2
H B 0058 ASP OD2 12.00 E B 0048 LYS NZ
H B 0058 ASP OD1 6.451 C B 0054 ARG NH1
H B 0058 ASP OD1 4.601 C B 0054 ARG NH2
H B 0058 ASP OD2 5.167 C B 0054 ARG NH1
H B 0058 ASP OD2 2.964 C B 0054 ARG NH2
C B 0064 GLU OE1 8.042 C B 0063 LYS NZ
C B 0064 GLU OE2 6.278 C B 0063 LYS NZ
CHARGE_REPU 2.00 12.00 58
E B 0006 LYS NZ 5.124 E B 0068 HIS ND1
E B 0006 LYS NZ 4.425 E B 0068 HIS NE2
C B 0011 LYS NZ 7.758 H B 0033 LYS NZ
E B 0016 GLU OE1 9.232 C B 0018 GLU OE1
E B 0016 GLU OE1 7.686 C B 0018 GLU OE2
E B 0016 GLU OE2 9.734 C B 0018 GLU OE1
E B 0016 GLU OE2 8.247 C B 0018 GLU OE2
E B 0016 GLU OE1 10.47 C B 0021 ASP OD1
E B 0016 GLU OE1 8.765 C B 0021 ASP OD2
E B 0016 GLU OE2 11.55 C B 0021 ASP OD1
E B 0016 GLU OE2 9.813 C B 0021 ASP OD2
E B 0016 GLU OE2 11.81 C B 0064 GLU OE2
C B 0018 GLU OE1 5.693 C B 0021 ASP OD1
C B 0018 GLU OE1 6.077 C B 0021 ASP OD2
C B 0018 GLU OE2 6.950 C B 0021 ASP OD1
C B 0018 GLU OE2 6.868 C B 0021 ASP OD2
C B 0021 ASP OD1 8.216 H B 0024 ASP OD1
C B 0021 ASP OD1 9.624 H B 0024 ASP OD2
C B 0021 ASP OD2 8.905 H B 0024 ASP OD1
C B 0021 ASP OD2 10.49 H B 0024 ASP OD2
C B 0021 ASP OD1 11.67 H B 0058 ASP OD1
H B 0024 ASP OD1 9.959 C B 0039 ASP OD1
H B 0024 ASP OD1 11.87 C B 0039 ASP OD2
H B 0024 ASP OD2 8.910 C B 0039 ASP OD1
H B 0024 ASP OD2 10.79 C B 0039 ASP OD2
H B 0024 ASP OD2 11.18 C B 0051 GLU OE1
H B 0024 ASP OD1 7.555 C B 0052 ASP OD1
H B 0024 ASP OD1 6.630 C B 0052 ASP OD2
H B 0024 ASP OD2 5.546 C B 0052 ASP OD1
H B 0024 ASP OD2 4.536 C B 0052 ASP OD2
H B 0027 LYS NZ 8.989 E B 0042 ARG NH1
H B 0027 LYS NZ 11.21 E B 0042 ARG NH2
H B 0027 LYS NZ 9.814 C B 0054 ARG NH1
H B 0027 LYS NZ 11.53 C B 0054 ARG NH2
H B 0029 LYS NZ 8.393 H B 0033 LYS NZ
H B 0032 ASP OD1 11.67 H B 0034 GLU OE1
H B 0032 ASP OD1 10.58 H B 0034 GLU OE2
H B 0032 ASP OD2 11.21 H B 0034 GLU OE1
H B 0032 ASP OD2 9.777 H B 0034 GLU OE2
C B 0039 ASP OD1 9.226 C B 0052 ASP OD1
C B 0039 ASP OD1 7.277 C B 0052 ASP OD2
C B 0039 ASP OD2 10.94 C B 0052 ASP OD1
C B 0039 ASP OD2 8.992 C B 0052 ASP OD2
E B 0042 ARG NH1 5.656 C B 0072 ARG NH1
E B 0042 ARG NH1 7.344 C B 0072 ARG NH2
E B 0042 ARG NH2 3.815 C B 0072 ARG NH1
E B 0042 ARG NH2 5.211 C B 0072 ARG NH2
E B 0048 LYS NZ 9.057 C B 0054 ARG NH1
E B 0048 LYS NZ 9.982 C B 0054 ARG NH2
C B 0051 GLU OE1 6.061 C B 0052 ASP OD1
C B 0051 GLU OE1 8.149 C B 0052 ASP OD2
C B 0051 GLU OE2 7.709 C B 0052 ASP OD1
C B 0051 GLU OE2 9.795 C B 0052 ASP OD2
C B 0051 GLU OE1 9.909 H B 0058 ASP OD1
C B 0051 GLU OE1 8.560 H B 0058 ASP OD2
C B 0051 GLU OE2 9.220 H B 0058 ASP OD1
C B 0051 GLU OE2 7.801 H B 0058 ASP OD2
C B 0052 ASP OD1 11.97 H B 0058 ASP OD2
HB_MM 2.00 3.20 123
E B 0002 GLN N 2.251 C B 0001 MET O
E B 0003 ILE N 2.249 E B 0002 GLN O
E B 0003 ILE N 2.868 E B 0015 LEU O
E B 0004 PHE N 2.251 E B 0003 ILE O
E B 0004 PHE N 2.743 C B 0065 SER O
E B 0005 VAL N 2.248 E B 0004 PHE O
E B 0005 VAL N 2.728 E B 0013 ILE O
E B 0006 LYS N 2.253 E B 0005 VAL O
E B 0006 LYS N 2.723 E B 0067 LEU O
E B 0007 THR N 2.249 E B 0006 LYS O
E B 0007 THR N 2.715 C B 0011 LYS O
C B 0008 LEU N 2.253 E B 0007 THR O
C B 0008 LEU N 2.797 E B 0069 LEU O
C B 0009 THR N 3.048 E B 0007 THR O
C B 0009 THR N 2.254 C B 0008 LEU O
C B 0010 GLY N 2.252 C B 0009 THR O
C B 0011 LYS N 2.250 C B 0010 GLY O
E B 0012 THR N 2.251 C B 0011 LYS O
E B 0013 ILE N 2.964 E B 0005 VAL O
E B 0013 ILE N 2.252 E B 0012 THR O
E B 0014 THR N 2.250 E B 0013 ILE O
E B 0015 LEU N 3.025 E B 0003 ILE O
E B 0015 LEU N 2.249 E B 0014 THR O
E B 0016 GLU N 2.247 E B 0015 LEU O
C B 0017 VAL N 2.979 C B 0001 MET O
C B 0017 VAL N 2.250 E B 0016 GLU O
C B 0018 GLU N 2.251 C B 0017 VAL O
C B 0019 SER N 2.250 C B 0018 GLU O
C B 0020 SER N 3.106 C B 0018 GLU O
C B 0020 SER N 2.253 C B 0019 SER O
C B 0021 ASP N 2.896 C B 0018 GLU O
C B 0021 ASP N 2.250 C B 0020 SER O
C B 0022 THR N 2.251 C B 0021 ASP O
H B 0023 ILE N 2.252 C B 0022 THR O
H B 0023 ILE N 2.936 C B 0054 ARG O
H B 0024 ASP N 2.256 H B 0023 ILE O
H B 0025 ASN N 3.038 C B 0022 THR O
H B 0025 ASN N 3.189 H B 0023 ILE O
H B 0025 ASN N 2.253 H B 0024 ASP O
H B 0026 VAL N 2.890 H B 0023 ILE O
H B 0026 VAL N 2.255 H B 0025 ASN O
H B 0027 LYS N 3.081 H B 0023 ILE O
H B 0027 LYS N 3.103 H B 0024 ASP O
H B 0027 LYS N 2.252 H B 0026 VAL O
H B 0028 SER N 3.050 H B 0024 ASP O
H B 0028 SER N 3.132 H B 0025 ASN O
H B 0028 SER N 2.252 H B 0027 LYS O
H B 0029 LYS N 3.058 H B 0025 ASN O
H B 0029 LYS N 2.251 H B 0028 SER O
H B 0030 ILE N 2.991 H B 0026 VAL O
H B 0030 ILE N 2.252 H B 0029 LYS O
H B 0031 GLN N 2.952 H B 0027 LYS O
H B 0031 GLN N 3.193 H B 0028 SER O
H B 0031 GLN N 2.256 H B 0030 ILE O
H B 0032 ASP N 2.958 H B 0028 SER O
H B 0032 ASP N 2.963 H B 0029 LYS O
H B 0032 ASP N 2.240 H B 0031 GLN O
H B 0033 LYS N 3.064 H B 0029 LYS O
H B 0033 LYS N 2.252 H B 0032 ASP O
H B 0034 GLU N 3.039 H B 0030 ILE O
H B 0034 GLU N 2.250 H B 0033 LYS O
C B 0035 GLY N 2.671 H B 0031 GLN O
C B 0035 GLY N 2.247 H B 0034 GLU O
C B 0036 ILE N 2.255 C B 0035 GLY O
C B 0037 PRO N 2.253 C B 0036 ILE O
C B 0038 PRO N 2.252 C B 0037 PRO O
C B 0039 ASP N 2.252 C B 0038 PRO O
C B 0040 GLN N 2.251 C B 0039 ASP O
E B 0041 GLN N 3.084 C B 0037 PRO O
E B 0041 GLN N 2.250 C B 0040 GLN O
E B 0042 ARG N 2.252 E B 0041 GLN O
E B 0042 ARG N 2.791 E B 0070 VAL O
E B 0043 LEU N 2.250 E B 0042 ARG O
E B 0044 ILE N 2.996 E B 0042 ARG O
E B 0044 ILE N 2.250 E B 0043 LEU O
E B 0044 ILE N 2.702 E B 0068 HIS O
E B 0045 PHE N 2.254 E B 0044 ILE O
E B 0045 PHE N 2.947 E B 0048 LYS O
C B 0046 ALA N 2.246 E B 0045 PHE O
C B 0047 GLY N 3.100 E B 0045 PHE O
C B 0047 GLY N 2.256 C B 0046 ALA O
E B 0048 LYS N 2.929 E B 0045 PHE O
E B 0048 LYS N 2.252 C B 0047 GLY O
E B 0049 GLN N 2.251 E B 0048 LYS O
C B 0050 LEU N 2.868 E B 0043 LEU O
C B 0050 LEU N 2.251 E B 0049 GLN O
C B 0051 GLU N 2.252 C B 0050 LEU O
C B 0052 ASP N 2.251 C B 0051 GLU O
C B 0053 GLY N 2.249 C B 0052 ASP O
C B 0054 ARG N 2.251 C B 0053 GLY O
C B 0055 THR N 2.251 C B 0054 ARG O
H B 0056 LEU N 2.255 C B 0055 THR O
H B 0057 SER N 3.082 C B 0055 THR O
H B 0057 SER N 2.250 H B 0056 LEU O
H B 0058 ASP N 3.126 C B 0055 THR O
H B 0058 ASP N 2.249 H B 0057 SER O
H B 0059 TYR N 2.248 H B 0058 ASP O
C B 0060 ASN N 2.661 H B 0056 LEU O
C B 0060 ASN N 3.125 H B 0057 SER O
C B 0060 ASN N 2.253 H B 0059 TYR O
C B 0061 ILE N 3.181 H B 0056 LEU O
C B 0061 ILE N 2.252 C B 0060 ASN O
C B 0062 GLN N 2.253 C B 0061 ILE O
C B 0063 LYS N 2.251 C B 0062 GLN O
C B 0064 GLU N 2.764 E B 0002 GLN O
C B 0064 GLU N 2.253 C B 0063 LYS O
C B 0065 SER N 2.252 C B 0064 GLU O
E B 0066 THR N 2.251 C B 0065 SER O
E B 0067 LEU N 2.834 E B 0004 PHE O
E B 0067 LEU N 2.250 E B 0066 THR O
E B 0068 HIS N 2.888 E B 0044 ILE O
E B 0068 HIS N 2.250 E B 0067 LEU O
E B 0069 LEU N 2.722 E B 0006 LYS O
E B 0069 LEU N 2.252 E B 0068 HIS O
E B 0070 VAL N 3.017 E B 0042 ARG O
E B 0070 VAL N 2.247 E B 0069 LEU O
E B 0071 LEU N 2.251 E B 0070 VAL O
C B 0072 ARG N 2.840 C B 0040 GLN O
C B 0072 ARG N 2.252 E B 0071 LEU O
C B 0073 LEU N 2.253 C B 0072 ARG O
C B 0074 ARG N 2.253 C B 0073 LEU O
C B 0075 GLY N 2.252 C B 0074 ARG O
C B 0076 GLY N 2.250 C B 0075 GLY O
HB_MS 2.00 3.20 13
C B 0010 GLY N 3.143 E B 0007 THR OG1
C B 0010 GLY N 2.731 C B 0009 THR OG1
C B 0011 LYS N 2.761 E B 0007 THR OG1
C B 0011 LYS O 3.154 E B 0007 THR OG1
E B 0014 THR O 2.735 H B 0033 LYS NZ
E B 0016 GLU O 2.692 H B 0029 LYS NZ
C B 0020 SER N 3.029 C B 0019 SER OG
C B 0022 THR N 2.807 C B 0021 ASP OD1
H B 0023 ILE N 3.075 C B 0022 THR OG1
C B 0036 ILE O 2.941 E B 0041 GLN NE2
C B 0051 GLU N 2.985 H B 0059 TYR OH
C B 0054 ARG N 3.147 C B 0022 THR OG1
H B 0058 ASP N 2.972 H B 0057 SER OG
HB_SS 2.00 3.20 1
H B 0058 ASP OD1 2.574 C B 0055 THR OG1
AROMATIC 0.00 8.00 2
E B 0048 LYS 6.900 H B 0059 TYR
C B 0054 ARG 5.080 H B 0059 TYR