Complet list of 1qtg con file
Complete list of 1qtg.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 213
C A 0001 MET C 2.423 C A 0002 LYS CA
C A 0001 MET C 2.871 C A 0002 LYS C
C A 0001 MET C 3.624 C A 0002 LYS CB
C A 0001 MET CG 3.752 C A 0002 LYS CA
C A 0001 MET CE 3.608 C A 0002 LYS CA
C A 0001 MET CE 2.713 C A 0002 LYS CB
C A 0001 MET CA 3.694 C A 0005 SER CA
C A 0001 MET CA 2.727 C A 0005 SER CB
C A 0001 MET C 3.099 C A 0005 SER CB
C A 0002 LYS C 2.422 C A 0003 GLY CA
C A 0002 LYS C 3.659 C A 0003 GLY C
C A 0002 LYS CD 3.787 C A 0003 GLY CA
C A 0003 GLY CA 2.588 C A 0004 MET CE
C A 0003 GLY C 2.424 C A 0004 MET CA
C A 0003 GLY C 2.696 C A 0004 MET C
C A 0003 GLY C 3.345 C A 0004 MET CB
C A 0003 GLY C 2.645 C A 0004 MET CE
C A 0003 GLY C 3.693 C A 0005 SER CA
C A 0004 MET C 2.423 C A 0005 SER CA
C A 0004 MET C 2.998 C A 0005 SER C
C A 0004 MET C 3.638 C A 0005 SER CB
C A 0004 MET CA 3.708 C A 0006 LYS CD
C A 0004 MET CA 3.175 C A 0006 LYS CE
C A 0004 MET C 3.615 C A 0006 LYS CG
C A 0004 MET C 3.548 C A 0006 LYS CD
C A 0004 MET C 3.352 C A 0006 LYS CE
C A 0005 SER CA 3.685 C A 0006 LYS CG
C A 0005 SER C 2.423 C A 0006 LYS CA
C A 0005 SER C 3.671 C A 0006 LYS C
C A 0005 SER C 3.087 C A 0006 LYS CB
C A 0005 SER C 2.654 C A 0006 LYS CG
C A 0006 LYS C 2.422 C A 0007 MET CA
C A 0006 LYS C 2.799 C A 0007 MET C
C A 0006 LYS C 3.595 C A 0007 MET CB
C A 0006 LYS C 3.203 C A 0008 PRO CD
C A 0007 MET CA 2.843 C A 0008 PRO CD
C A 0007 MET C 2.428 C A 0008 PRO CA
C A 0007 MET C 3.097 C A 0008 PRO C
C A 0007 MET C 3.608 C A 0008 PRO CB
C A 0007 MET C 3.619 C A 0008 PRO CG
C A 0007 MET C 2.480 C A 0008 PRO CD
C A 0008 PRO C 2.423 C A 0009 GLN CA
C A 0008 PRO C 3.051 C A 0009 GLN C
C A 0008 PRO C 3.635 C A 0009 GLN CB
C A 0008 PRO CG 3.294 H A 0011 LEU CG
C A 0008 PRO CG 2.986 H A 0011 LEU CD1
C A 0008 PRO CD 3.278 H A 0011 LEU CD1
C A 0009 GLN C 2.424 H A 0010 PHE CA
C A 0009 GLN C 3.357 H A 0010 PHE C
C A 0009 GLN C 3.514 H A 0010 PHE CB
H A 0010 PHE C 2.424 H A 0011 LEU CA
H A 0010 PHE C 3.101 H A 0011 LEU C
H A 0010 PHE C 3.627 H A 0011 LEU CB
H A 0011 LEU C 2.422 H A 0012 ASN CA
H A 0011 LEU C 2.856 H A 0012 ASN C
H A 0011 LEU C 3.620 H A 0012 ASN CB
H A 0011 LEU CD2 3.408 H A 0014 TRP CD2
H A 0011 LEU CD2 3.037 H A 0014 TRP CE3
H A 0011 LEU CD2 3.190 H A 0014 TRP CZ3
H A 0011 LEU CD2 3.676 H A 0014 TRP CH2
H A 0011 LEU CB 3.672 H A 0019 LEU CG
H A 0011 LEU CB 3.760 H A 0019 LEU CD2
H A 0011 LEU CD1 3.500 H A 0033 VAL CG1
H A 0011 LEU CD2 3.662 H A 0037 ILE CD1
H A 0012 ASN C 2.423 H A 0013 ARG CA
H A 0012 ASN C 3.231 H A 0013 ARG C
H A 0012 ASN C 3.584 H A 0013 ARG CB
H A 0013 ARG C 2.423 H A 0014 TRP CA
H A 0013 ARG C 3.286 H A 0014 TRP C
H A 0013 ARG C 3.557 H A 0014 TRP CB
H A 0013 ARG C 3.301 H A 0014 TRP CD1
H A 0014 TRP CA 2.846 H A 0015 PRO CD
H A 0014 TRP C 2.428 H A 0015 PRO CA
H A 0014 TRP C 3.099 H A 0015 PRO C
H A 0014 TRP C 3.608 H A 0015 PRO CB
H A 0014 TRP C 3.620 H A 0015 PRO CG
H A 0014 TRP C 2.480 H A 0015 PRO CD
H A 0014 TRP CB 3.514 H A 0015 PRO CD
H A 0014 TRP CA 3.732 H A 0019 LEU CD1
H A 0014 TRP C 3.482 H A 0019 LEU CD1
H A 0014 TRP CB 2.933 H A 0019 LEU CD1
H A 0014 TRP CH2 3.759 H A 0037 ILE CD1
H A 0015 PRO C 2.424 H A 0016 ARG CA
H A 0015 PRO C 2.849 H A 0016 ARG C
H A 0015 PRO C 3.617 H A 0016 ARG CB
H A 0015 PRO CG 2.969 H A 0018 VAL CG2
H A 0015 PRO CD 3.156 H A 0018 VAL CG2
H A 0016 ARG C 2.423 H A 0017 GLU CA
H A 0016 ARG C 2.939 H A 0017 GLU C
H A 0016 ARG C 3.637 H A 0017 GLU CB
H A 0017 GLU C 2.423 H A 0018 VAL CA
H A 0017 GLU C 3.097 H A 0018 VAL C
H A 0017 GLU C 3.627 H A 0018 VAL CB
H A 0017 GLU C 3.699 H A 0018 VAL CG2
H A 0018 VAL C 2.424 H A 0019 LEU CA
H A 0018 VAL C 2.744 H A 0019 LEU C
H A 0018 VAL C 3.549 H A 0019 LEU CB
H A 0019 LEU C 2.423 H A 0020 ASP CA
H A 0019 LEU C 2.878 H A 0020 ASP C
H A 0019 LEU C 3.626 H A 0020 ASP CB
H A 0020 ASP C 2.423 H A 0021 LEU CA
H A 0020 ASP C 3.019 H A 0021 LEU C
H A 0020 ASP C 3.638 H A 0021 LEU CB
H A 0021 LEU C 2.423 H A 0022 VAL CA
H A 0021 LEU C 3.053 H A 0022 VAL C
H A 0021 LEU C 3.634 H A 0022 VAL CB
H A 0022 VAL C 2.423 H A 0023 ARG CA
H A 0022 VAL C 2.907 H A 0023 ARG C
H A 0022 VAL C 3.633 H A 0023 ARG CB
H A 0022 VAL CG1 3.375 H A 0033 VAL CG1
H A 0023 ARG C 2.423 H A 0024 LYS CA
H A 0023 ARG C 3.182 H A 0024 LYS C
H A 0023 ARG C 3.602 H A 0024 LYS CB
H A 0024 LYS C 2.423 H A 0025 VAL CA
H A 0024 LYS C 2.998 H A 0025 VAL C
H A 0024 LYS C 3.639 H A 0025 VAL CB
H A 0025 VAL C 2.422 H A 0026 ALA CA
H A 0025 VAL C 3.132 H A 0026 ALA C
H A 0025 VAL C 3.619 H A 0026 ALA CB
H A 0025 VAL CA 3.394 H A 0028 GLU CG
H A 0025 VAL CA 3.310 H A 0028 GLU CD
H A 0025 VAL C 3.503 H A 0028 GLU CG
H A 0026 ALA C 2.424 H A 0027 GLU CA
H A 0026 ALA C 3.139 H A 0027 GLU C
H A 0026 ALA C 3.618 H A 0027 GLU CB
H A 0027 GLU C 2.423 H A 0028 GLU CA
H A 0027 GLU C 3.066 H A 0028 GLU C
H A 0027 GLU C 3.633 H A 0028 GLU CB
H A 0027 GLU C 3.721 H A 0028 GLU CG
H A 0028 GLU C 2.423 H A 0029 ASN CA
H A 0028 GLU C 3.168 H A 0029 ASN C
H A 0028 GLU C 3.608 H A 0029 ASN CB
H A 0029 ASN C 2.422 H A 0030 GLY CA
H A 0029 ASN C 3.146 H A 0030 GLY C
H A 0029 ASN CB 3.753 C A 0031 ARG CG
H A 0029 ASN CB 3.575 C A 0031 ARG CZ
H A 0029 ASN CG 3.780 C A 0031 ARG CZ
H A 0030 GLY C 2.423 C A 0031 ARG CA
H A 0030 GLY C 3.689 C A 0031 ARG C
H A 0030 GLY C 3.022 C A 0031 ARG CB
H A 0030 GLY C 3.565 C A 0031 ARG CG
C A 0031 ARG C 2.424 H A 0032 SER CA
C A 0031 ARG C 3.170 H A 0032 SER C
C A 0031 ARG C 3.608 H A 0032 SER CB
H A 0032 SER C 2.424 H A 0033 VAL CA
H A 0032 SER C 3.128 H A 0033 VAL C
H A 0032 SER C 3.621 H A 0033 VAL CB
H A 0033 VAL C 2.424 H A 0034 ASN CA
H A 0033 VAL C 2.923 H A 0034 ASN C
H A 0033 VAL C 3.637 H A 0034 ASN CB
H A 0034 ASN C 2.423 H A 0035 SER CA
H A 0034 ASN C 3.042 H A 0035 SER C
H A 0034 ASN C 3.635 H A 0035 SER CB
H A 0035 SER C 2.424 H A 0036 GLU CA
H A 0035 SER C 3.085 H A 0036 GLU C
H A 0035 SER C 3.632 H A 0036 GLU CB
H A 0036 GLU C 2.423 H A 0037 ILE CA
H A 0036 GLU C 3.040 H A 0037 ILE C
H A 0036 GLU C 3.635 H A 0037 ILE CB
H A 0037 ILE C 2.425 H A 0038 TYR CA
H A 0037 ILE C 3.031 H A 0038 TYR C
H A 0037 ILE C 3.638 H A 0038 TYR CB
H A 0038 TYR C 2.423 H A 0039 GLN CA
H A 0038 TYR C 3.010 H A 0039 GLN C
H A 0038 TYR C 3.638 H A 0039 GLN CB
H A 0039 GLN C 2.424 H A 0040 ARG CA
H A 0039 GLN C 3.091 H A 0040 ARG C
H A 0039 GLN C 3.629 H A 0040 ARG CB
H A 0040 ARG C 2.424 H A 0041 VAL CA
H A 0040 ARG C 3.045 H A 0041 VAL C
H A 0040 ARG C 3.637 H A 0041 VAL CB
H A 0041 VAL C 2.424 H A 0042 MET CA
H A 0041 VAL C 3.140 H A 0042 MET C
H A 0041 VAL C 3.617 H A 0042 MET CB
H A 0042 MET C 2.424 H A 0043 GLU CA
H A 0042 MET C 3.113 H A 0043 GLU C
H A 0042 MET C 3.625 H A 0043 GLU CB
H A 0043 GLU C 2.424 H A 0044 SER CA
H A 0043 GLU C 3.056 H A 0044 SER C
H A 0043 GLU C 3.634 H A 0044 SER CB
H A 0043 GLU CD 3.576 H A 0047 LYS CE
H A 0044 SER C 2.424 H A 0045 PHE CA
H A 0044 SER C 3.154 H A 0045 PHE C
H A 0044 SER C 3.613 H A 0045 PHE CB
H A 0044 SER C 3.661 H A 0045 PHE CD1
H A 0044 SER CA 3.354 H A 0047 LYS CE
H A 0045 PHE C 2.423 H A 0046 LYS CA
H A 0045 PHE C 3.083 H A 0046 LYS C
H A 0045 PHE C 3.630 H A 0046 LYS CB
H A 0045 PHE CB 3.759 C A 0051 ILE CG1
H A 0045 PHE CB 3.795 C A 0051 ILE CD1
H A 0046 LYS C 2.423 H A 0047 LYS CA
H A 0046 LYS C 3.052 H A 0047 LYS C
H A 0046 LYS C 3.636 H A 0047 LYS CB
H A 0047 LYS C 2.425 H A 0048 GLU CA
H A 0047 LYS C 3.187 H A 0048 GLU C
H A 0047 LYS C 3.603 H A 0048 GLU CB
H A 0048 GLU C 2.422 H A 0049 GLY CA
H A 0048 GLU C 3.273 H A 0049 GLY C
H A 0048 GLU CB 3.577 C A 0050 ARG CG
H A 0049 GLY C 2.424 C A 0050 ARG CA
H A 0049 GLY C 3.205 C A 0050 ARG C
H A 0049 GLY C 3.595 C A 0050 ARG CB
H A 0049 GLY C 3.752 C A 0050 ARG CG
C A 0050 ARG C 2.422 C A 0051 ILE CA
C A 0050 ARG C 3.543 C A 0051 ILE C
C A 0050 ARG C 3.331 C A 0051 ILE CB
C A 0050 ARG C 3.195 C A 0051 ILE CG1
C A 0051 ILE C 2.429 C A 0052 GLY CA
C A 0051 ILE C 2.967 C A 0052 GLY C
C A 0052 GLY C 2.419 C A 0053 ALA CA
C A 0052 GLY C 2.685 C A 0053 ALA C
C A 0052 GLY C 3.420 C A 0053 ALA CB
CHARGE_ATTR 2.00 12.00 63
H A 0017 GLU OE1 7.456 H A 0016 ARG NH1
H A 0017 GLU OE1 9.253 H A 0016 ARG NH2
H A 0017 GLU OE2 9.197 H A 0016 ARG NH1
H A 0017 GLU OE2 10.94 H A 0016 ARG NH2
H A 0017 GLU OE1 9.469 H A 0023 ARG NH1
H A 0017 GLU OE1 11.57 H A 0023 ARG NH2
H A 0017 GLU OE2 11.49 H A 0023 ARG NH1
H A 0017 GLU OE1 11.49 H A 0024 LYS NZ
H A 0020 ASP OD1 11.64 C A 0006 LYS NZ
H A 0020 ASP OD1 2.745 H A 0016 ARG NH1
H A 0020 ASP OD1 4.528 H A 0016 ARG NH2
H A 0020 ASP OD2 2.908 H A 0016 ARG NH1
H A 0020 ASP OD2 5.008 H A 0016 ARG NH2
H A 0020 ASP OD1 3.100 H A 0023 ARG NH1
H A 0020 ASP OD1 4.444 H A 0023 ARG NH2
H A 0020 ASP OD2 5.021 H A 0023 ARG NH1
H A 0020 ASP OD2 6.455 H A 0023 ARG NH2
H A 0020 ASP OD1 7.445 H A 0024 LYS NZ
H A 0020 ASP OD2 7.224 H A 0024 LYS NZ
H A 0027 GLU OE1 9.647 C A 0006 LYS NZ
H A 0027 GLU OE2 10.32 C A 0006 LYS NZ
H A 0027 GLU OE1 11.99 H A 0016 ARG NH1
H A 0027 GLU OE1 10.08 H A 0023 ARG NH1
H A 0027 GLU OE1 8.963 H A 0023 ARG NH2
H A 0027 GLU OE2 10.72 H A 0023 ARG NH2
H A 0027 GLU OE1 9.055 H A 0024 LYS NZ
H A 0027 GLU OE2 10.73 H A 0024 LYS NZ
H A 0028 GLU OE1 7.785 H A 0024 LYS NZ
H A 0028 GLU OE2 5.977 H A 0024 LYS NZ
H A 0028 GLU OE1 9.834 C A 0031 ARG NH1
H A 0028 GLU OE1 9.086 C A 0031 ARG NH2
H A 0028 GLU OE2 10.11 C A 0031 ARG NH1
H A 0028 GLU OE2 9.769 C A 0031 ARG NH2
H A 0028 GLU OE1 8.711 H A 0040 ARG NH1
H A 0028 GLU OE1 6.857 H A 0040 ARG NH2
H A 0028 GLU OE2 8.717 H A 0040 ARG NH1
H A 0028 GLU OE2 6.940 H A 0040 ARG NH2
H A 0036 GLU OE1 2.575 C A 0031 ARG NH1
H A 0036 GLU OE1 3.917 C A 0031 ARG NH2
H A 0036 GLU OE2 3.381 C A 0031 ARG NH1
H A 0036 GLU OE2 4.853 C A 0031 ARG NH2
H A 0036 GLU OE1 6.852 H A 0040 ARG NH1
H A 0036 GLU OE1 5.162 H A 0040 ARG NH2
H A 0036 GLU OE2 4.764 H A 0040 ARG NH1
H A 0036 GLU OE2 3.370 H A 0040 ARG NH2
H A 0043 GLU OE1 10.61 C A 0031 ARG NH1
H A 0043 GLU OE2 10.45 C A 0031 ARG NH1
H A 0043 GLU OE2 11.50 C A 0031 ARG NH2
H A 0043 GLU OE1 6.798 H A 0040 ARG NH1
H A 0043 GLU OE1 8.620 H A 0040 ARG NH2
H A 0043 GLU OE2 6.063 H A 0040 ARG NH1
H A 0043 GLU OE2 7.878 H A 0040 ARG NH2
H A 0043 GLU OE1 10.78 H A 0046 LYS NZ
H A 0043 GLU OE2 11.34 H A 0046 LYS NZ
H A 0043 GLU OE1 3.742 H A 0047 LYS NZ
H A 0043 GLU OE2 4.232 H A 0047 LYS NZ
H A 0048 GLU OE1 11.84 H A 0046 LYS NZ
H A 0048 GLU OE1 7.826 H A 0047 LYS NZ
H A 0048 GLU OE2 8.062 H A 0047 LYS NZ
H A 0048 GLU OE1 3.740 C A 0050 ARG NH1
H A 0048 GLU OE1 4.640 C A 0050 ARG NH2
H A 0048 GLU OE2 4.008 C A 0050 ARG NH1
H A 0048 GLU OE2 4.033 C A 0050 ARG NH2
CHARGE_REPU 2.00 12.00 47
C A 0002 LYS NZ 7.253 C A 0006 LYS NZ
C A 0006 LYS NZ 11.37 H A 0016 ARG NH2
C A 0006 LYS NZ 9.364 H A 0023 ARG NH1
C A 0006 LYS NZ 7.380 H A 0023 ARG NH2
H A 0016 ARG NH1 3.759 H A 0023 ARG NH1
H A 0016 ARG NH1 4.974 H A 0023 ARG NH2
H A 0016 ARG NH2 4.472 H A 0023 ARG NH1
H A 0016 ARG NH2 4.802 H A 0023 ARG NH2
H A 0016 ARG NH1 9.834 H A 0024 LYS NZ
H A 0016 ARG NH2 11.62 H A 0024 LYS NZ
H A 0017 GLU OE1 8.061 H A 0020 ASP OD1
H A 0017 GLU OE1 6.647 H A 0020 ASP OD2
H A 0017 GLU OE2 9.805 H A 0020 ASP OD1
H A 0017 GLU OE2 8.135 H A 0020 ASP OD2
H A 0020 ASP OD1 9.837 H A 0027 GLU OE1
H A 0020 ASP OD1 11.82 H A 0027 GLU OE2
H A 0020 ASP OD2 11.32 H A 0027 GLU OE1
H A 0020 ASP OD1 11.51 H A 0028 GLU OE2
H A 0023 ARG NH1 9.871 H A 0024 LYS NZ
H A 0023 ARG NH2 10.67 H A 0024 LYS NZ
H A 0024 LYS NZ 11.64 H A 0040 ARG NH1
H A 0024 LYS NZ 10.73 H A 0040 ARG NH2
H A 0027 GLU OE1 8.909 H A 0028 GLU OE1
H A 0027 GLU OE1 7.617 H A 0028 GLU OE2
H A 0027 GLU OE2 9.646 H A 0028 GLU OE1
H A 0027 GLU OE2 8.757 H A 0028 GLU OE2
H A 0027 GLU OE1 11.34 H A 0036 GLU OE1
H A 0028 GLU OE1 8.448 H A 0036 GLU OE1
H A 0028 GLU OE1 8.365 H A 0036 GLU OE2
H A 0028 GLU OE2 8.255 H A 0036 GLU OE1
H A 0028 GLU OE2 8.213 H A 0036 GLU OE2
C A 0031 ARG NH1 7.573 H A 0040 ARG NH1
C A 0031 ARG NH1 6.148 H A 0040 ARG NH2
C A 0031 ARG NH2 8.514 H A 0040 ARG NH1
C A 0031 ARG NH2 6.810 H A 0040 ARG NH2
H A 0036 GLU OE1 11.09 H A 0043 GLU OE1
H A 0036 GLU OE1 11.00 H A 0043 GLU OE2
H A 0036 GLU OE2 9.163 H A 0043 GLU OE1
H A 0036 GLU OE2 9.016 H A 0043 GLU OE2
H A 0040 ARG NH1 9.577 H A 0047 LYS NZ
H A 0040 ARG NH2 11.65 H A 0047 LYS NZ
H A 0043 GLU OE1 9.132 H A 0048 GLU OE1
H A 0043 GLU OE1 10.05 H A 0048 GLU OE2
H A 0043 GLU OE2 10.91 H A 0048 GLU OE1
H A 0043 GLU OE2 11.68 H A 0048 GLU OE2
H A 0046 LYS NZ 11.86 H A 0047 LYS NZ
H A 0047 LYS NZ 11.46 C A 0050 ARG NH1
HB_MM 2.00 3.20 83
C A 0002 LYS N 2.196 C A 0001 MET O
C A 0003 GLY N 2.234 C A 0001 MET O
C A 0003 GLY N 2.195 C A 0002 LYS O
C A 0004 MET N 2.197 C A 0003 GLY O
C A 0005 SER N 2.197 C A 0004 MET O
C A 0006 LYS N 2.321 C A 0004 MET O
C A 0006 LYS N 2.197 C A 0005 SER O
C A 0007 MET N 2.195 C A 0006 LYS O
C A 0008 PRO N 2.277 C A 0006 LYS O
C A 0008 PRO N 2.225 C A 0007 MET O
C A 0009 GLN N 2.196 C A 0008 PRO O
H A 0010 PHE N 2.742 C A 0008 PRO O
H A 0010 PHE N 2.197 C A 0009 GLN O
H A 0011 LEU N 2.196 H A 0010 PHE O
H A 0012 ASN N 2.196 H A 0011 LEU O
H A 0013 ARG N 2.544 H A 0011 LEU O
H A 0013 ARG N 2.196 H A 0012 ASN O
H A 0014 TRP N 2.348 H A 0011 LEU O
H A 0014 TRP N 2.197 H A 0013 ARG O
H A 0015 PRO N 2.225 H A 0014 TRP O
H A 0016 ARG N 2.196 H A 0015 PRO O
H A 0017 GLU N 2.576 H A 0015 PRO O
H A 0017 GLU N 2.197 H A 0016 ARG O
H A 0018 VAL N 2.710 H A 0015 PRO O
H A 0018 VAL N 2.197 H A 0017 GLU O
H A 0019 LEU N 2.197 H A 0018 VAL O
H A 0020 ASP N 2.606 H A 0018 VAL O
H A 0020 ASP N 2.195 H A 0019 LEU O
H A 0021 LEU N 2.278 H A 0018 VAL O
H A 0021 LEU N 2.942 H A 0019 LEU O
H A 0021 LEU N 2.197 H A 0020 ASP O
H A 0022 VAL N 3.120 H A 0018 VAL O
H A 0022 VAL N 2.764 H A 0019 LEU O
H A 0022 VAL N 2.197 H A 0021 LEU O
H A 0023 ARG N 2.791 H A 0019 LEU O
H A 0023 ARG N 2.197 H A 0022 VAL O
H A 0024 LYS N 3.096 H A 0020 ASP O
H A 0024 LYS N 2.791 H A 0022 VAL O
H A 0024 LYS N 2.196 H A 0023 ARG O
H A 0025 VAL N 2.857 H A 0021 LEU O
H A 0025 VAL N 3.016 H A 0022 VAL O
H A 0025 VAL N 2.197 H A 0024 LYS O
H A 0026 ALA N 2.861 H A 0022 VAL O
H A 0026 ALA N 2.989 H A 0024 LYS O
H A 0026 ALA N 2.196 H A 0025 VAL O
H A 0027 GLU N 2.969 H A 0024 LYS O
H A 0027 GLU N 2.197 H A 0026 ALA O
H A 0028 GLU N 2.196 H A 0027 GLU O
H A 0029 ASN N 2.196 H A 0028 GLU O
H A 0030 GLY N 2.196 H A 0029 ASN O
C A 0031 ARG N 3.030 H A 0026 ALA O
C A 0031 ARG N 2.197 H A 0030 GLY O
H A 0032 SER N 2.196 C A 0031 ARG O
H A 0033 VAL N 2.197 H A 0032 SER O
H A 0034 ASN N 2.196 H A 0033 VAL O
H A 0035 SER N 3.033 H A 0033 VAL O
H A 0035 SER N 2.197 H A 0034 ASN O
H A 0036 GLU N 2.800 H A 0033 VAL O
H A 0036 GLU N 2.196 H A 0035 SER O
H A 0037 ILE N 3.052 H A 0033 VAL O
H A 0037 ILE N 2.197 H A 0036 GLU O
H A 0038 TYR N 3.083 H A 0034 ASN O
H A 0038 TYR N 2.196 H A 0037 ILE O
H A 0039 GLN N 3.093 H A 0035 SER O
H A 0039 GLN N 2.197 H A 0038 TYR O
H A 0040 ARG N 3.096 H A 0036 GLU O
H A 0040 ARG N 2.197 H A 0039 GLN O
H A 0041 VAL N 2.814 H A 0037 ILE O
H A 0041 VAL N 2.196 H A 0040 ARG O
H A 0042 MET N 3.007 H A 0038 TYR O
H A 0042 MET N 2.196 H A 0041 VAL O
H A 0043 GLU N 2.196 H A 0042 MET O
H A 0044 SER N 2.196 H A 0043 GLU O
H A 0045 PHE N 3.140 H A 0043 GLU O
H A 0045 PHE N 2.196 H A 0044 SER O
H A 0046 LYS N 2.197 H A 0045 PHE O
H A 0047 LYS N 2.197 H A 0046 LYS O
H A 0048 GLU N 2.197 H A 0047 LYS O
H A 0049 GLY N 2.197 H A 0048 GLU O
C A 0050 ARG N 2.196 H A 0049 GLY O
C A 0051 ILE N 2.196 C A 0050 ARG O
C A 0052 GLY N 2.202 C A 0051 ILE O
C A 0053 ALA N 2.192 C A 0052 GLY O
HB_MS 2.00 3.20 9
C A 0001 MET O 2.498 C A 0005 SER OG
C A 0003 GLY O 3.196 C A 0005 SER OG
H A 0025 VAL N 3.200 H A 0028 GLU OE2
H A 0025 VAL O 3.073 H A 0029 ASN ND2
H A 0033 VAL N 3.144 H A 0032 SER OG
H A 0044 SER N 2.852 H A 0043 GLU OE1
H A 0045 PHE N 3.072 H A 0044 SER OG
C A 0052 GLY O 3.173 H A 0046 LYS NZ
C A 0053 ALA O 2.575 H A 0046 LYS NZ
HB_SS 2.00 3.20 2
C A 0006 LYS NZ 2.601 C A 0005 SER OG
H A 0036 GLU OE1 3.151 H A 0029 ASN ND2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 85
C A 0008 PRO CB 3.373 H B 0010 PHE CD1
C A 0008 PRO CB 3.077 H B 0010 PHE CE1
C A 0008 PRO CG 3.210 H B 0010 PHE CE1
H A 0010 PHE CD1 3.409 C B 0008 PRO CB
H A 0010 PHE CE1 3.129 C B 0008 PRO CB
H A 0010 PHE CE1 3.255 C B 0008 PRO CG
H A 0010 PHE CB 3.077 H B 0010 PHE CB
H A 0010 PHE CB 3.040 H B 0010 PHE CG
H A 0010 PHE CB 3.072 H B 0010 PHE CD1
H A 0010 PHE CG 3.059 H B 0010 PHE CB
H A 0010 PHE CG 3.260 H B 0010 PHE CG
H A 0010 PHE CG 3.682 H B 0010 PHE CD2
H A 0010 PHE CD1 3.089 H B 0010 PHE CB
H A 0010 PHE CD2 3.696 H B 0010 PHE CG
H A 0010 PHE CD2 3.599 H B 0010 PHE CD2
H A 0010 PHE CE2 3.624 H B 0034 ASN CG
H A 0010 PHE CZ 3.542 H B 0034 ASN CA
H A 0010 PHE CZ 3.523 H B 0034 ASN CG
H A 0014 TRP CZ2 3.672 H B 0037 ILE C
H A 0014 TRP CG 3.171 H B 0038 TYR CD1
H A 0014 TRP CG 3.536 H B 0038 TYR CE1
H A 0014 TRP CD1 3.367 H B 0038 TYR CD1
H A 0014 TRP CD2 2.838 H B 0038 TYR CD1
H A 0014 TRP CD2 3.527 H B 0038 TYR CE1
H A 0014 TRP CE2 3.633 H B 0038 TYR CA
H A 0014 TRP CE2 3.190 H B 0038 TYR CB
H A 0014 TRP CE2 3.472 H B 0038 TYR CG
H A 0014 TRP CE2 2.901 H B 0038 TYR CD1
H A 0014 TRP CE3 3.376 H B 0038 TYR CD1
H A 0014 TRP CZ2 2.992 H B 0038 TYR CA
H A 0014 TRP CZ2 3.140 H B 0038 TYR CB
H A 0014 TRP CZ2 3.793 H B 0038 TYR CG
H A 0014 TRP CZ2 3.487 H B 0038 TYR CD1
H A 0014 TRP CH2 3.452 H B 0038 TYR CA
H A 0014 TRP CZ3 3.704 H B 0041 VAL CG1
H A 0014 TRP CH2 3.785 H B 0041 VAL CB
H A 0014 TRP CH2 3.612 H B 0041 VAL CG2
H A 0015 PRO CD 3.533 H B 0038 TYR CE1
H A 0015 PRO CD 3.602 H B 0038 TYR CZ
H A 0018 VAL CB 3.604 H B 0038 TYR CE1
H A 0018 VAL CG1 3.352 H B 0038 TYR CE1
H A 0018 VAL CG2 3.174 H B 0038 TYR CE1
H A 0018 VAL CG2 3.395 H B 0038 TYR CZ
H A 0021 LEU CB 3.780 H B 0045 PHE CE2
H A 0021 LEU CD2 3.282 H B 0045 PHE CD2
H A 0021 LEU CD2 3.457 H B 0045 PHE CE2
H A 0021 LEU CD2 3.514 C B 0050 ARG CB
H A 0021 LEU CD1 3.360 C B 0051 ILE CG1
H A 0021 LEU CD1 3.314 C B 0051 ILE CD1
H A 0034 ASN CA 3.579 H B 0010 PHE CZ
H A 0034 ASN CG 3.624 H B 0010 PHE CE2
H A 0034 ASN CG 3.550 H B 0010 PHE CZ
H A 0037 ILE C 3.675 H B 0014 TRP CZ2
H A 0037 ILE CG2 3.061 H B 0037 ILE CG2
H A 0038 TYR CA 3.647 H B 0014 TRP CE2
H A 0038 TYR CA 3.006 H B 0014 TRP CZ2
H A 0038 TYR CA 3.440 H B 0014 TRP CH2
H A 0038 TYR CB 3.183 H B 0014 TRP CE2
H A 0038 TYR CB 3.134 H B 0014 TRP CZ2
H A 0038 TYR CG 3.484 H B 0014 TRP CE2
H A 0038 TYR CD1 3.186 H B 0014 TRP CG
H A 0038 TYR CD1 3.419 H B 0014 TRP CD1
H A 0038 TYR CD1 2.836 H B 0014 TRP CD2
H A 0038 TYR CD1 2.934 H B 0014 TRP CE2
H A 0038 TYR CD1 3.338 H B 0014 TRP CE3
H A 0038 TYR CD1 3.507 H B 0014 TRP CZ2
H A 0038 TYR CE1 3.567 H B 0014 TRP CG
H A 0038 TYR CE1 3.538 H B 0014 TRP CD2
H A 0038 TYR CE1 3.546 H B 0015 PRO CD
H A 0038 TYR CZ 3.602 H B 0015 PRO CD
H A 0038 TYR CE1 3.513 H B 0018 VAL CB
H A 0038 TYR CE1 3.250 H B 0018 VAL CG1
H A 0038 TYR CE1 3.099 H B 0018 VAL CG2
H A 0038 TYR CZ 3.310 H B 0018 VAL CG2
H A 0040 ARG CD 3.717 H B 0045 PHE CE1
H A 0040 ARG CZ 3.523 H B 0045 PHE CE1
H A 0041 VAL CG1 3.756 H B 0014 TRP CZ3
H A 0041 VAL CG2 3.659 H B 0014 TRP CH2
H A 0045 PHE CD2 3.250 H B 0021 LEU CD2
H A 0045 PHE CE2 3.443 H B 0021 LEU CD2
H A 0045 PHE CE1 3.662 H B 0040 ARG CD
H A 0045 PHE CE1 3.440 H B 0040 ARG CZ
C A 0050 ARG CB 3.573 H B 0021 LEU CD2
C A 0051 ILE CG1 3.373 H B 0021 LEU CD1
C A 0051 ILE CD1 3.264 H B 0021 LEU CD1
CHARGE_ATTR 2.00 12.00 62
H A 0024 LYS NZ 9.633 H B 0048 GLU OE1
H A 0024 LYS NZ 10.88 H B 0048 GLU OE2
H A 0027 GLU OE1 10.68 C B 0050 ARG NH1
H A 0027 GLU OE1 11.54 C B 0050 ARG NH2
H A 0027 GLU OE2 11.92 C B 0050 ARG NH1
H A 0028 GLU OE1 3.443 C B 0050 ARG NH1
H A 0028 GLU OE1 2.901 C B 0050 ARG NH2
H A 0028 GLU OE2 3.339 C B 0050 ARG NH1
H A 0028 GLU OE2 4.015 C B 0050 ARG NH2
C A 0031 ARG NH1 9.371 H B 0048 GLU OE1
C A 0031 ARG NH1 8.682 H B 0048 GLU OE2
C A 0031 ARG NH2 9.802 H B 0048 GLU OE1
C A 0031 ARG NH2 8.703 H B 0048 GLU OE2
H A 0036 GLU OE2 10.35 H B 0047 LYS NZ
H A 0036 GLU OE1 7.450 C B 0050 ARG NH1
H A 0036 GLU OE1 8.830 C B 0050 ARG NH2
H A 0036 GLU OE2 6.571 C B 0050 ARG NH1
H A 0036 GLU OE2 8.039 C B 0050 ARG NH2
H A 0040 ARG NH1 7.317 H B 0043 GLU OE1
H A 0040 ARG NH1 9.221 H B 0043 GLU OE2
H A 0040 ARG NH2 9.508 H B 0043 GLU OE1
H A 0040 ARG NH2 11.43 H B 0043 GLU OE2
H A 0040 ARG NH1 2.952 H B 0048 GLU OE1
H A 0040 ARG NH1 3.573 H B 0048 GLU OE2
H A 0040 ARG NH2 3.253 H B 0048 GLU OE1
H A 0040 ARG NH2 3.271 H B 0048 GLU OE2
H A 0043 GLU OE1 7.310 H B 0040 ARG NH1
H A 0043 GLU OE1 9.505 H B 0040 ARG NH2
H A 0043 GLU OE2 9.221 H B 0040 ARG NH1
H A 0043 GLU OE2 11.43 H B 0040 ARG NH2
H A 0043 GLU OE1 3.823 H B 0047 LYS NZ
H A 0043 GLU OE2 2.576 H B 0047 LYS NZ
H A 0043 GLU OE2 11.46 C B 0050 ARG NH1
H A 0047 LYS NZ 10.38 H B 0036 GLU OE2
H A 0047 LYS NZ 3.840 H B 0043 GLU OE1
H A 0047 LYS NZ 2.576 H B 0043 GLU OE2
H A 0047 LYS NZ 11.48 H B 0048 GLU OE1
H A 0047 LYS NZ 11.78 H B 0048 GLU OE2
H A 0048 GLU OE1 9.700 H B 0024 LYS NZ
H A 0048 GLU OE2 10.98 H B 0024 LYS NZ
H A 0048 GLU OE1 9.316 C B 0031 ARG NH1
H A 0048 GLU OE1 9.732 C B 0031 ARG NH2
H A 0048 GLU OE2 8.637 C B 0031 ARG NH1
H A 0048 GLU OE2 8.643 C B 0031 ARG NH2
H A 0048 GLU OE1 2.927 H B 0040 ARG NH1
H A 0048 GLU OE1 3.207 H B 0040 ARG NH2
H A 0048 GLU OE2 3.599 H B 0040 ARG NH1
H A 0048 GLU OE2 3.283 H B 0040 ARG NH2
H A 0048 GLU OE1 11.47 H B 0047 LYS NZ
H A 0048 GLU OE2 11.77 H B 0047 LYS NZ
C A 0050 ARG NH1 10.70 H B 0027 GLU OE1
C A 0050 ARG NH1 11.92 H B 0027 GLU OE2
C A 0050 ARG NH2 11.57 H B 0027 GLU OE1
C A 0050 ARG NH1 3.384 H B 0028 GLU OE1
C A 0050 ARG NH1 3.356 H B 0028 GLU OE2
C A 0050 ARG NH2 2.890 H B 0028 GLU OE1
C A 0050 ARG NH2 4.074 H B 0028 GLU OE2
C A 0050 ARG NH1 7.383 H B 0036 GLU OE1
C A 0050 ARG NH1 6.512 H B 0036 GLU OE2
C A 0050 ARG NH2 8.781 H B 0036 GLU OE1
C A 0050 ARG NH2 8.001 H B 0036 GLU OE2
C A 0050 ARG NH1 11.43 H B 0043 GLU OE2
CHARGE_REPU 2.00 12.00 55
H A 0024 LYS NZ 7.321 C B 0050 ARG NH1
H A 0024 LYS NZ 8.365 C B 0050 ARG NH2
H A 0028 GLU OE1 6.971 H B 0048 GLU OE1
H A 0028 GLU OE1 6.500 H B 0048 GLU OE2
H A 0028 GLU OE2 7.046 H B 0048 GLU OE1
H A 0028 GLU OE2 7.209 H B 0048 GLU OE2
C A 0031 ARG NH1 9.006 C B 0050 ARG NH1
C A 0031 ARG NH1 9.963 C B 0050 ARG NH2
C A 0031 ARG NH2 8.963 C B 0050 ARG NH1
C A 0031 ARG NH2 9.453 C B 0050 ARG NH2
H A 0036 GLU OE2 10.72 H B 0043 GLU OE1
H A 0036 GLU OE1 8.307 H B 0048 GLU OE1
H A 0036 GLU OE1 8.092 H B 0048 GLU OE2
H A 0036 GLU OE2 6.566 H B 0048 GLU OE1
H A 0036 GLU OE2 6.499 H B 0048 GLU OE2
H A 0040 ARG NH1 6.402 H B 0047 LYS NZ
H A 0040 ARG NH2 8.510 H B 0047 LYS NZ
H A 0040 ARG NH1 5.647 C B 0050 ARG NH1
H A 0040 ARG NH1 6.855 C B 0050 ARG NH2
H A 0040 ARG NH2 4.199 C B 0050 ARG NH1
H A 0040 ARG NH2 5.509 C B 0050 ARG NH2
H A 0043 GLU OE1 10.72 H B 0036 GLU OE2
H A 0043 GLU OE1 3.790 H B 0043 GLU OE1
H A 0043 GLU OE1 4.590 H B 0043 GLU OE2
H A 0043 GLU OE2 4.610 H B 0043 GLU OE1
H A 0043 GLU OE2 5.333 H B 0043 GLU OE2
H A 0043 GLU OE1 9.286 H B 0048 GLU OE1
H A 0043 GLU OE1 9.486 H B 0048 GLU OE2
H A 0043 GLU OE2 8.204 H B 0048 GLU OE1
H A 0043 GLU OE2 8.088 H B 0048 GLU OE2
H A 0047 LYS NZ 6.427 H B 0040 ARG NH1
H A 0047 LYS NZ 8.531 H B 0040 ARG NH2
H A 0047 LYS NZ 3.926 H B 0047 LYS NZ
H A 0048 GLU OE1 6.948 H B 0028 GLU OE1
H A 0048 GLU OE1 7.053 H B 0028 GLU OE2
H A 0048 GLU OE2 6.526 H B 0028 GLU OE1
H A 0048 GLU OE2 7.259 H B 0028 GLU OE2
H A 0048 GLU OE1 8.273 H B 0036 GLU OE1
H A 0048 GLU OE1 6.533 H B 0036 GLU OE2
H A 0048 GLU OE2 8.078 H B 0036 GLU OE1
H A 0048 GLU OE2 6.490 H B 0036 GLU OE2
H A 0048 GLU OE1 9.263 H B 0043 GLU OE1
H A 0048 GLU OE1 8.165 H B 0043 GLU OE2
H A 0048 GLU OE2 9.466 H B 0043 GLU OE1
H A 0048 GLU OE2 8.056 H B 0043 GLU OE2
C A 0050 ARG NH1 7.444 H B 0024 LYS NZ
C A 0050 ARG NH2 8.505 H B 0024 LYS NZ
C A 0050 ARG NH1 8.913 C B 0031 ARG NH1
C A 0050 ARG NH1 8.846 C B 0031 ARG NH2
C A 0050 ARG NH2 9.883 C B 0031 ARG NH1
C A 0050 ARG NH2 9.345 C B 0031 ARG NH2
C A 0050 ARG NH1 5.629 H B 0040 ARG NH1
C A 0050 ARG NH1 4.145 H B 0040 ARG NH2
C A 0050 ARG NH2 6.857 H B 0040 ARG NH1
C A 0050 ARG NH2 5.489 H B 0040 ARG NH2
HB_MS 2.00 3.20 2
H A 0010 PHE O 3.065 H B 0034 ASN ND2
H A 0034 ASN ND2 3.024 H B 0010 PHE O
HB_SS 2.00 3.20 2
H A 0040 ARG NH1 3.199 H B 0044 SER OG
H A 0044 SER OG 3.163 H B 0040 ARG NH1
AROMATIC 0.00 8.00 5
H A 0010 PHE 4.745 H B 0010 PHE
H A 0045 PHE 4.628 H B 0040 ARG
H A 0038 TYR 4.507 H B 0014 TRP
H A 0040 ARG 4.709 H B 0045 PHE
H A 0014 TRP 4.515 H B 0038 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 213
C B 0001 MET C 2.423 C B 0002 LYS CA
C B 0001 MET C 2.872 C B 0002 LYS C
C B 0001 MET C 3.625 C B 0002 LYS CB
C B 0001 MET CG 3.754 C B 0002 LYS CA
C B 0001 MET CE 3.607 C B 0002 LYS CA
C B 0001 MET CE 2.714 C B 0002 LYS CB
C B 0001 MET CA 3.696 C B 0005 SER CA
C B 0001 MET CA 2.726 C B 0005 SER CB
C B 0001 MET C 3.100 C B 0005 SER CB
C B 0002 LYS C 2.423 C B 0003 GLY CA
C B 0002 LYS C 3.660 C B 0003 GLY C
C B 0002 LYS CD 3.789 C B 0003 GLY CA
C B 0003 GLY CA 2.580 C B 0004 MET CE
C B 0003 GLY C 2.425 C B 0004 MET CA
C B 0003 GLY C 2.696 C B 0004 MET C
C B 0003 GLY C 3.345 C B 0004 MET CB
C B 0003 GLY C 2.638 C B 0004 MET CE
C B 0003 GLY C 3.694 C B 0005 SER CA
C B 0004 MET C 2.421 C B 0005 SER CA
C B 0004 MET C 2.998 C B 0005 SER C
C B 0004 MET C 3.638 C B 0005 SER CB
C B 0004 MET CA 3.702 C B 0006 LYS CD
C B 0004 MET CA 3.177 C B 0006 LYS CE
C B 0004 MET C 3.617 C B 0006 LYS CG
C B 0004 MET C 3.543 C B 0006 LYS CD
C B 0004 MET C 3.353 C B 0006 LYS CE
C B 0005 SER CA 3.685 C B 0006 LYS CG
C B 0005 SER C 2.424 C B 0006 LYS CA
C B 0005 SER C 3.672 C B 0006 LYS C
C B 0005 SER C 3.090 C B 0006 LYS CB
C B 0005 SER C 2.656 C B 0006 LYS CG
C B 0006 LYS C 2.422 C B 0007 MET CA
C B 0006 LYS C 2.799 C B 0007 MET C
C B 0006 LYS C 3.594 C B 0007 MET CB
C B 0006 LYS C 3.203 C B 0008 PRO CD
C B 0007 MET CA 2.844 C B 0008 PRO CD
C B 0007 MET C 2.428 C B 0008 PRO CA
C B 0007 MET C 3.097 C B 0008 PRO C
C B 0007 MET C 3.608 C B 0008 PRO CB
C B 0007 MET C 3.618 C B 0008 PRO CG
C B 0007 MET C 2.479 C B 0008 PRO CD
C B 0008 PRO C 2.423 C B 0009 GLN CA
C B 0008 PRO C 3.051 C B 0009 GLN C
C B 0008 PRO C 3.636 C B 0009 GLN CB
C B 0008 PRO CG 3.293 H B 0011 LEU CG
C B 0008 PRO CG 2.984 H B 0011 LEU CD1
C B 0008 PRO CD 3.274 H B 0011 LEU CD1
C B 0009 GLN C 2.423 H B 0010 PHE CA
C B 0009 GLN C 3.358 H B 0010 PHE C
C B 0009 GLN C 3.513 H B 0010 PHE CB
H B 0010 PHE C 2.423 H B 0011 LEU CA
H B 0010 PHE C 3.098 H B 0011 LEU C
H B 0010 PHE C 3.626 H B 0011 LEU CB
H B 0011 LEU C 2.422 H B 0012 ASN CA
H B 0011 LEU C 2.856 H B 0012 ASN C
H B 0011 LEU C 3.621 H B 0012 ASN CB
H B 0011 LEU CD2 3.411 H B 0014 TRP CD2
H B 0011 LEU CD2 3.038 H B 0014 TRP CE3
H B 0011 LEU CD2 3.191 H B 0014 TRP CZ3
H B 0011 LEU CD2 3.676 H B 0014 TRP CH2
H B 0011 LEU CB 3.674 H B 0019 LEU CG
H B 0011 LEU CB 3.761 H B 0019 LEU CD2
H B 0011 LEU CD1 3.499 H B 0033 VAL CG1
H B 0011 LEU CD2 3.661 H B 0037 ILE CD1
H B 0012 ASN C 2.423 H B 0013 ARG CA
H B 0012 ASN C 3.231 H B 0013 ARG C
H B 0012 ASN C 3.583 H B 0013 ARG CB
H B 0013 ARG C 2.423 H B 0014 TRP CA
H B 0013 ARG C 3.286 H B 0014 TRP C
H B 0013 ARG C 3.556 H B 0014 TRP CB
H B 0013 ARG C 3.300 H B 0014 TRP CD1
H B 0014 TRP CA 2.845 H B 0015 PRO CD
H B 0014 TRP C 2.428 H B 0015 PRO CA
H B 0014 TRP C 3.099 H B 0015 PRO C
H B 0014 TRP C 3.608 H B 0015 PRO CB
H B 0014 TRP C 3.620 H B 0015 PRO CG
H B 0014 TRP C 2.479 H B 0015 PRO CD
H B 0014 TRP CB 3.513 H B 0015 PRO CD
H B 0014 TRP CA 3.736 H B 0019 LEU CD1
H B 0014 TRP C 3.484 H B 0019 LEU CD1
H B 0014 TRP CB 2.938 H B 0019 LEU CD1
H B 0014 TRP CH2 3.758 H B 0037 ILE CD1
H B 0015 PRO C 2.425 H B 0016 ARG CA
H B 0015 PRO C 2.849 H B 0016 ARG C
H B 0015 PRO C 3.618 H B 0016 ARG CB
H B 0015 PRO CG 2.966 H B 0018 VAL CG2
H B 0015 PRO CD 3.150 H B 0018 VAL CG2
H B 0016 ARG C 2.423 H B 0017 GLU CA
H B 0016 ARG C 2.939 H B 0017 GLU C
H B 0016 ARG C 3.637 H B 0017 GLU CB
H B 0017 GLU C 2.423 H B 0018 VAL CA
H B 0017 GLU C 3.098 H B 0018 VAL C
H B 0017 GLU C 3.628 H B 0018 VAL CB
H B 0017 GLU C 3.698 H B 0018 VAL CG2
H B 0018 VAL C 2.423 H B 0019 LEU CA
H B 0018 VAL C 2.745 H B 0019 LEU C
H B 0018 VAL C 3.548 H B 0019 LEU CB
H B 0019 LEU C 2.423 H B 0020 ASP CA
H B 0019 LEU C 2.877 H B 0020 ASP C
H B 0019 LEU C 3.627 H B 0020 ASP CB
H B 0020 ASP C 2.424 H B 0021 LEU CA
H B 0020 ASP C 3.020 H B 0021 LEU C
H B 0020 ASP C 3.638 H B 0021 LEU CB
H B 0021 LEU C 2.424 H B 0022 VAL CA
H B 0021 LEU C 3.053 H B 0022 VAL C
H B 0021 LEU C 3.635 H B 0022 VAL CB
H B 0022 VAL C 2.424 H B 0023 ARG CA
H B 0022 VAL C 2.907 H B 0023 ARG C
H B 0022 VAL C 3.633 H B 0023 ARG CB
H B 0022 VAL CG1 3.372 H B 0033 VAL CG1
H B 0023 ARG C 2.423 H B 0024 LYS CA
H B 0023 ARG C 3.183 H B 0024 LYS C
H B 0023 ARG C 3.603 H B 0024 LYS CB
H B 0024 LYS C 2.423 H B 0025 VAL CA
H B 0024 LYS C 2.998 H B 0025 VAL C
H B 0024 LYS C 3.638 H B 0025 VAL CB
H B 0025 VAL C 2.423 H B 0026 ALA CA
H B 0025 VAL C 3.133 H B 0026 ALA C
H B 0025 VAL C 3.619 H B 0026 ALA CB
H B 0025 VAL CA 3.394 H B 0028 GLU CG
H B 0025 VAL CA 3.309 H B 0028 GLU CD
H B 0025 VAL C 3.503 H B 0028 GLU CG
H B 0026 ALA C 2.424 H B 0027 GLU CA
H B 0026 ALA C 3.139 H B 0027 GLU C
H B 0026 ALA C 3.618 H B 0027 GLU CB
H B 0027 GLU C 2.424 H B 0028 GLU CA
H B 0027 GLU C 3.066 H B 0028 GLU C
H B 0027 GLU C 3.633 H B 0028 GLU CB
H B 0027 GLU C 3.720 H B 0028 GLU CG
H B 0028 GLU C 2.423 H B 0029 ASN CA
H B 0028 GLU C 3.166 H B 0029 ASN C
H B 0028 GLU C 3.608 H B 0029 ASN CB
H B 0029 ASN C 2.423 H B 0030 GLY CA
H B 0029 ASN C 3.148 H B 0030 GLY C
H B 0029 ASN CB 3.755 C B 0031 ARG CG
H B 0029 ASN CB 3.575 C B 0031 ARG CZ
H B 0029 ASN CG 3.780 C B 0031 ARG CZ
H B 0030 GLY C 2.423 C B 0031 ARG CA
H B 0030 GLY C 3.690 C B 0031 ARG C
H B 0030 GLY C 3.021 C B 0031 ARG CB
H B 0030 GLY C 3.562 C B 0031 ARG CG
C B 0031 ARG C 2.423 H B 0032 SER CA
C B 0031 ARG C 3.170 H B 0032 SER C
C B 0031 ARG C 3.607 H B 0032 SER CB
H B 0032 SER C 2.423 H B 0033 VAL CA
H B 0032 SER C 3.128 H B 0033 VAL C
H B 0032 SER C 3.620 H B 0033 VAL CB
H B 0033 VAL C 2.423 H B 0034 ASN CA
H B 0033 VAL C 2.922 H B 0034 ASN C
H B 0033 VAL C 3.635 H B 0034 ASN CB
H B 0034 ASN C 2.423 H B 0035 SER CA
H B 0034 ASN C 3.041 H B 0035 SER C
H B 0034 ASN C 3.636 H B 0035 SER CB
H B 0035 SER C 2.423 H B 0036 GLU CA
H B 0035 SER C 3.084 H B 0036 GLU C
H B 0035 SER C 3.630 H B 0036 GLU CB
H B 0036 GLU C 2.424 H B 0037 ILE CA
H B 0036 GLU C 3.040 H B 0037 ILE C
H B 0036 GLU C 3.636 H B 0037 ILE CB
H B 0037 ILE C 2.424 H B 0038 TYR CA
H B 0037 ILE C 3.030 H B 0038 TYR C
H B 0037 ILE C 3.638 H B 0038 TYR CB
H B 0038 TYR C 2.423 H B 0039 GLN CA
H B 0038 TYR C 3.010 H B 0039 GLN C
H B 0038 TYR C 3.639 H B 0039 GLN CB
H B 0039 GLN C 2.424 H B 0040 ARG CA
H B 0039 GLN C 3.092 H B 0040 ARG C
H B 0039 GLN C 3.630 H B 0040 ARG CB
H B 0040 ARG C 2.424 H B 0041 VAL CA
H B 0040 ARG C 3.045 H B 0041 VAL C
H B 0040 ARG C 3.636 H B 0041 VAL CB
H B 0041 VAL C 2.424 H B 0042 MET CA
H B 0041 VAL C 3.140 H B 0042 MET C
H B 0041 VAL C 3.617 H B 0042 MET CB
H B 0042 MET C 2.422 H B 0043 GLU CA
H B 0042 MET C 3.113 H B 0043 GLU C
H B 0042 MET C 3.623 H B 0043 GLU CB
H B 0043 GLU C 2.424 H B 0044 SER CA
H B 0043 GLU C 3.056 H B 0044 SER C
H B 0043 GLU C 3.634 H B 0044 SER CB
H B 0043 GLU CD 3.576 H B 0047 LYS CE
H B 0044 SER C 2.424 H B 0045 PHE CA
H B 0044 SER C 3.155 H B 0045 PHE C
H B 0044 SER C 3.613 H B 0045 PHE CB
H B 0044 SER C 3.660 H B 0045 PHE CD1
H B 0044 SER CA 3.353 H B 0047 LYS CE
H B 0045 PHE C 2.424 H B 0046 LYS CA
H B 0045 PHE C 3.083 H B 0046 LYS C
H B 0045 PHE C 3.631 H B 0046 LYS CB
H B 0045 PHE CB 3.790 C B 0051 ILE CG1
H B 0045 PHE CB 3.785 C B 0051 ILE CD1
H B 0046 LYS C 2.424 H B 0047 LYS CA
H B 0046 LYS C 3.052 H B 0047 LYS C
H B 0046 LYS C 3.635 H B 0047 LYS CB
H B 0047 LYS C 2.423 H B 0048 GLU CA
H B 0047 LYS C 3.185 H B 0048 GLU C
H B 0047 LYS C 3.602 H B 0048 GLU CB
H B 0048 GLU C 2.422 H B 0049 GLY CA
H B 0048 GLU C 3.274 H B 0049 GLY C
H B 0048 GLU CB 3.587 C B 0050 ARG CG
H B 0049 GLY C 2.424 C B 0050 ARG CA
H B 0049 GLY C 3.210 C B 0050 ARG C
H B 0049 GLY C 3.593 C B 0050 ARG CB
H B 0049 GLY C 3.746 C B 0050 ARG CG
C B 0050 ARG C 2.425 C B 0051 ILE CA
C B 0050 ARG C 3.564 C B 0051 ILE C
C B 0050 ARG C 3.312 C B 0051 ILE CB
C B 0050 ARG C 3.158 C B 0051 ILE CG1
C B 0051 ILE C 2.422 C B 0052 GLY CA
C B 0051 ILE C 2.895 C B 0052 GLY C
C B 0052 GLY C 2.424 C B 0053 ALA CA
C B 0052 GLY C 2.695 C B 0053 ALA C
C B 0052 GLY C 3.438 C B 0053 ALA CB
CHARGE_ATTR 2.00 12.00 63
H B 0017 GLU OE1 7.455 H B 0016 ARG NH1
H B 0017 GLU OE1 9.251 H B 0016 ARG NH2
H B 0017 GLU OE2 9.197 H B 0016 ARG NH1
H B 0017 GLU OE2 10.94 H B 0016 ARG NH2
H B 0017 GLU OE1 9.466 H B 0023 ARG NH1
H B 0017 GLU OE1 11.57 H B 0023 ARG NH2
H B 0017 GLU OE2 11.49 H B 0023 ARG NH1
H B 0017 GLU OE1 11.48 H B 0024 LYS NZ
H B 0020 ASP OD1 11.64 C B 0006 LYS NZ
H B 0020 ASP OD1 2.743 H B 0016 ARG NH1
H B 0020 ASP OD1 4.526 H B 0016 ARG NH2
H B 0020 ASP OD2 2.908 H B 0016 ARG NH1
H B 0020 ASP OD2 5.008 H B 0016 ARG NH2
H B 0020 ASP OD1 3.102 H B 0023 ARG NH1
H B 0020 ASP OD1 4.445 H B 0023 ARG NH2
H B 0020 ASP OD2 5.022 H B 0023 ARG NH1
H B 0020 ASP OD2 6.456 H B 0023 ARG NH2
H B 0020 ASP OD1 7.445 H B 0024 LYS NZ
H B 0020 ASP OD2 7.224 H B 0024 LYS NZ
H B 0027 GLU OE1 9.647 C B 0006 LYS NZ
H B 0027 GLU OE2 10.32 C B 0006 LYS NZ
H B 0027 GLU OE1 11.99 H B 0016 ARG NH1
H B 0027 GLU OE1 10.08 H B 0023 ARG NH1
H B 0027 GLU OE1 8.964 H B 0023 ARG NH2
H B 0027 GLU OE2 10.72 H B 0023 ARG NH2
H B 0027 GLU OE1 9.055 H B 0024 LYS NZ
H B 0027 GLU OE2 10.73 H B 0024 LYS NZ
H B 0028 GLU OE1 7.785 H B 0024 LYS NZ
H B 0028 GLU OE2 5.978 H B 0024 LYS NZ
H B 0028 GLU OE1 9.834 C B 0031 ARG NH1
H B 0028 GLU OE1 9.085 C B 0031 ARG NH2
H B 0028 GLU OE2 10.11 C B 0031 ARG NH1
H B 0028 GLU OE2 9.768 C B 0031 ARG NH2
H B 0028 GLU OE1 8.711 H B 0040 ARG NH1
H B 0028 GLU OE1 6.856 H B 0040 ARG NH2
H B 0028 GLU OE2 8.717 H B 0040 ARG NH1
H B 0028 GLU OE2 6.939 H B 0040 ARG NH2
H B 0036 GLU OE1 2.576 C B 0031 ARG NH1
H B 0036 GLU OE1 3.918 C B 0031 ARG NH2
H B 0036 GLU OE2 3.381 C B 0031 ARG NH1
H B 0036 GLU OE2 4.854 C B 0031 ARG NH2
H B 0036 GLU OE1 6.851 H B 0040 ARG NH1
H B 0036 GLU OE1 5.163 H B 0040 ARG NH2
H B 0036 GLU OE2 4.764 H B 0040 ARG NH1
H B 0036 GLU OE2 3.370 H B 0040 ARG NH2
H B 0043 GLU OE1 10.61 C B 0031 ARG NH1
H B 0043 GLU OE2 10.45 C B 0031 ARG NH1
H B 0043 GLU OE2 11.50 C B 0031 ARG NH2
H B 0043 GLU OE1 6.799 H B 0040 ARG NH1
H B 0043 GLU OE1 8.621 H B 0040 ARG NH2
H B 0043 GLU OE2 6.063 H B 0040 ARG NH1
H B 0043 GLU OE2 7.878 H B 0040 ARG NH2
H B 0043 GLU OE1 10.78 H B 0046 LYS NZ
H B 0043 GLU OE2 11.34 H B 0046 LYS NZ
H B 0043 GLU OE1 3.741 H B 0047 LYS NZ
H B 0043 GLU OE2 4.232 H B 0047 LYS NZ
H B 0048 GLU OE1 11.84 H B 0046 LYS NZ
H B 0048 GLU OE1 7.827 H B 0047 LYS NZ
H B 0048 GLU OE2 8.063 H B 0047 LYS NZ
H B 0048 GLU OE1 3.733 C B 0050 ARG NH1
H B 0048 GLU OE1 4.632 C B 0050 ARG NH2
H B 0048 GLU OE2 4.006 C B 0050 ARG NH1
H B 0048 GLU OE2 4.030 C B 0050 ARG NH2
CHARGE_REPU 2.00 12.00 47
C B 0002 LYS NZ 7.253 C B 0006 LYS NZ
C B 0006 LYS NZ 11.37 H B 0016 ARG NH2
C B 0006 LYS NZ 9.365 H B 0023 ARG NH1
C B 0006 LYS NZ 7.381 H B 0023 ARG NH2
H B 0016 ARG NH1 3.759 H B 0023 ARG NH1
H B 0016 ARG NH1 4.973 H B 0023 ARG NH2
H B 0016 ARG NH2 4.473 H B 0023 ARG NH1
H B 0016 ARG NH2 4.801 H B 0023 ARG NH2
H B 0016 ARG NH1 9.834 H B 0024 LYS NZ
H B 0016 ARG NH2 11.62 H B 0024 LYS NZ
H B 0017 GLU OE1 8.059 H B 0020 ASP OD1
H B 0017 GLU OE1 6.644 H B 0020 ASP OD2
H B 0017 GLU OE2 9.804 H B 0020 ASP OD1
H B 0017 GLU OE2 8.134 H B 0020 ASP OD2
H B 0020 ASP OD1 9.838 H B 0027 GLU OE1
H B 0020 ASP OD1 11.82 H B 0027 GLU OE2
H B 0020 ASP OD2 11.32 H B 0027 GLU OE1
H B 0020 ASP OD1 11.51 H B 0028 GLU OE2
H B 0023 ARG NH1 9.871 H B 0024 LYS NZ
H B 0023 ARG NH2 10.67 H B 0024 LYS NZ
H B 0024 LYS NZ 11.64 H B 0040 ARG NH1
H B 0024 LYS NZ 10.73 H B 0040 ARG NH2
H B 0027 GLU OE1 8.907 H B 0028 GLU OE1
H B 0027 GLU OE1 7.616 H B 0028 GLU OE2
H B 0027 GLU OE2 9.645 H B 0028 GLU OE1
H B 0027 GLU OE2 8.756 H B 0028 GLU OE2
H B 0027 GLU OE1 11.34 H B 0036 GLU OE1
H B 0028 GLU OE1 8.448 H B 0036 GLU OE1
H B 0028 GLU OE1 8.365 H B 0036 GLU OE2
H B 0028 GLU OE2 8.255 H B 0036 GLU OE1
H B 0028 GLU OE2 8.213 H B 0036 GLU OE2
C B 0031 ARG NH1 7.573 H B 0040 ARG NH1
C B 0031 ARG NH1 6.148 H B 0040 ARG NH2
C B 0031 ARG NH2 8.514 H B 0040 ARG NH1
C B 0031 ARG NH2 6.810 H B 0040 ARG NH2
H B 0036 GLU OE1 11.09 H B 0043 GLU OE1
H B 0036 GLU OE1 11.00 H B 0043 GLU OE2
H B 0036 GLU OE2 9.163 H B 0043 GLU OE1
H B 0036 GLU OE2 9.016 H B 0043 GLU OE2
H B 0040 ARG NH1 9.577 H B 0047 LYS NZ
H B 0040 ARG NH2 11.65 H B 0047 LYS NZ
H B 0043 GLU OE1 9.132 H B 0048 GLU OE1
H B 0043 GLU OE1 10.05 H B 0048 GLU OE2
H B 0043 GLU OE2 10.91 H B 0048 GLU OE1
H B 0043 GLU OE2 11.68 H B 0048 GLU OE2
H B 0046 LYS NZ 11.86 H B 0047 LYS NZ
H B 0047 LYS NZ 11.45 C B 0050 ARG NH1
HB_MM 2.00 3.20 83
C B 0002 LYS N 2.198 C B 0001 MET O
C B 0003 GLY N 2.237 C B 0001 MET O
C B 0003 GLY N 2.197 C B 0002 LYS O
C B 0004 MET N 2.197 C B 0003 GLY O
C B 0005 SER N 2.197 C B 0004 MET O
C B 0006 LYS N 2.326 C B 0004 MET O
C B 0006 LYS N 2.196 C B 0005 SER O
C B 0007 MET N 2.197 C B 0006 LYS O
C B 0008 PRO N 2.277 C B 0006 LYS O
C B 0008 PRO N 2.226 C B 0007 MET O
C B 0009 GLN N 2.195 C B 0008 PRO O
H B 0010 PHE N 2.741 C B 0008 PRO O
H B 0010 PHE N 2.197 C B 0009 GLN O
H B 0011 LEU N 2.197 H B 0010 PHE O
H B 0012 ASN N 2.196 H B 0011 LEU O
H B 0013 ARG N 2.543 H B 0011 LEU O
H B 0013 ARG N 2.196 H B 0012 ASN O
H B 0014 TRP N 2.348 H B 0011 LEU O
H B 0014 TRP N 2.196 H B 0013 ARG O
H B 0015 PRO N 2.226 H B 0014 TRP O
H B 0016 ARG N 2.196 H B 0015 PRO O
H B 0017 GLU N 2.577 H B 0015 PRO O
H B 0017 GLU N 2.196 H B 0016 ARG O
H B 0018 VAL N 2.711 H B 0015 PRO O
H B 0018 VAL N 2.196 H B 0017 GLU O
H B 0019 LEU N 2.197 H B 0018 VAL O
H B 0020 ASP N 2.604 H B 0018 VAL O
H B 0020 ASP N 2.197 H B 0019 LEU O
H B 0021 LEU N 2.276 H B 0018 VAL O
H B 0021 LEU N 2.942 H B 0019 LEU O
H B 0021 LEU N 2.196 H B 0020 ASP O
H B 0022 VAL N 3.120 H B 0018 VAL O
H B 0022 VAL N 2.764 H B 0019 LEU O
H B 0022 VAL N 2.197 H B 0021 LEU O
H B 0023 ARG N 2.792 H B 0019 LEU O
H B 0023 ARG N 2.196 H B 0022 VAL O
H B 0024 LYS N 3.096 H B 0020 ASP O
H B 0024 LYS N 2.790 H B 0022 VAL O
H B 0024 LYS N 2.197 H B 0023 ARG O
H B 0025 VAL N 2.857 H B 0021 LEU O
H B 0025 VAL N 3.016 H B 0022 VAL O
H B 0025 VAL N 2.197 H B 0024 LYS O
H B 0026 ALA N 2.861 H B 0022 VAL O
H B 0026 ALA N 2.991 H B 0024 LYS O
H B 0026 ALA N 2.197 H B 0025 VAL O
H B 0027 GLU N 2.971 H B 0024 LYS O
H B 0027 GLU N 2.196 H B 0026 ALA O
H B 0028 GLU N 2.196 H B 0027 GLU O
H B 0029 ASN N 2.198 H B 0028 GLU O
H B 0030 GLY N 2.196 H B 0029 ASN O
C B 0031 ARG N 3.031 H B 0026 ALA O
C B 0031 ARG N 2.196 H B 0030 GLY O
H B 0032 SER N 2.195 C B 0031 ARG O
H B 0033 VAL N 2.197 H B 0032 SER O
H B 0034 ASN N 2.197 H B 0033 VAL O
H B 0035 SER N 3.034 H B 0033 VAL O
H B 0035 SER N 2.197 H B 0034 ASN O
H B 0036 GLU N 2.800 H B 0033 VAL O
H B 0036 GLU N 2.196 H B 0035 SER O
H B 0037 ILE N 3.052 H B 0033 VAL O
H B 0037 ILE N 2.197 H B 0036 GLU O
H B 0038 TYR N 3.082 H B 0034 ASN O
H B 0038 TYR N 2.197 H B 0037 ILE O
H B 0039 GLN N 3.094 H B 0035 SER O
H B 0039 GLN N 2.197 H B 0038 TYR O
H B 0040 ARG N 3.097 H B 0036 GLU O
H B 0040 ARG N 2.196 H B 0039 GLN O
H B 0041 VAL N 2.814 H B 0037 ILE O
H B 0041 VAL N 2.197 H B 0040 ARG O
H B 0042 MET N 3.008 H B 0038 TYR O
H B 0042 MET N 2.196 H B 0041 VAL O
H B 0043 GLU N 2.196 H B 0042 MET O
H B 0044 SER N 2.197 H B 0043 GLU O
H B 0045 PHE N 3.140 H B 0043 GLU O
H B 0045 PHE N 2.197 H B 0044 SER O
H B 0046 LYS N 2.196 H B 0045 PHE O
H B 0047 LYS N 2.196 H B 0046 LYS O
H B 0048 GLU N 2.198 H B 0047 LYS O
H B 0049 GLY N 2.196 H B 0048 GLU O
C B 0050 ARG N 2.196 H B 0049 GLY O
C B 0051 ILE N 2.197 C B 0050 ARG O
C B 0052 GLY N 2.196 C B 0051 ILE O
C B 0053 ALA N 2.195 C B 0052 GLY O
HB_MS 2.00 3.20 8
C B 0001 MET O 2.495 C B 0005 SER OG
C B 0003 GLY O 3.197 C B 0005 SER OG
H B 0025 VAL N 3.199 H B 0028 GLU OE2
H B 0025 VAL O 3.072 H B 0029 ASN ND2
H B 0033 VAL N 3.145 H B 0032 SER OG
H B 0044 SER N 2.852 H B 0043 GLU OE1
H B 0045 PHE N 3.072 H B 0044 SER OG
C B 0053 ALA O 2.614 H B 0046 LYS NZ
HB_SS 2.00 3.20 2
C B 0006 LYS NZ 2.601 C B 0005 SER OG
H B 0036 GLU OE1 3.151 H B 0029 ASN ND2