Complet list of 1nvo con file
Complete list of 1nvo.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 190
C A 0001 ASP C 2.468 C A 0002 TYR CA
C A 0001 ASP C 3.018 C A 0002 TYR C
C A 0001 ASP C 3.743 C A 0002 TYR CB
C A 0002 TYR CA 3.797 C A 0003 LEU CA
C A 0002 TYR C 2.434 C A 0003 LEU CA
C A 0002 TYR C 3.505 C A 0003 LEU C
C A 0002 TYR C 3.447 C A 0003 LEU CB
C A 0002 TYR C 3.497 C A 0003 LEU CG
C A 0002 TYR C 3.769 C A 0003 LEU CD2
C A 0003 LEU C 2.396 C A 0004 ARG CA
C A 0003 LEU C 2.892 C A 0004 ARG C
C A 0003 LEU C 3.746 C A 0004 ARG CB
C A 0003 LEU CB 3.751 H A 0007 LEU CD2
C A 0004 ARG CA 3.787 C A 0005 GLU CA
C A 0004 ARG C 2.413 C A 0005 GLU CA
C A 0004 ARG C 3.222 C A 0005 GLU C
C A 0004 ARG C 3.600 C A 0005 GLU CB
C A 0004 ARG CA 3.635 H A 0008 LYS CB
C A 0004 ARG C 3.789 H A 0008 LYS CB
C A 0005 GLU C 2.444 C A 0006 LEU CA
C A 0005 GLU C 3.334 C A 0006 LEU C
C A 0005 GLU C 3.631 C A 0006 LEU CB
C A 0005 GLU C 3.528 C A 0006 LEU CD1
C A 0005 GLU CA 3.732 H A 0009 LEU CD1
C A 0006 LEU C 2.470 H A 0007 LEU CA
C A 0006 LEU C 3.620 H A 0007 LEU C
C A 0006 LEU C 3.397 H A 0007 LEU CB
C A 0006 LEU C 3.697 H A 0010 GLU CG
C A 0006 LEU CB 3.538 H A 0043 LEU CD2
H A 0007 LEU CA 3.800 H A 0008 LYS CA
H A 0007 LEU C 2.409 H A 0008 LYS CA
H A 0007 LEU C 2.998 H A 0008 LYS C
H A 0007 LEU C 3.692 H A 0008 LYS CB
H A 0007 LEU CD1 3.677 H A 0008 LYS CA
H A 0007 LEU CB 3.764 H A 0043 LEU CB
H A 0007 LEU CD1 3.655 H A 0044 GLU CG
H A 0008 LYS C 2.439 H A 0009 LEU CA
H A 0008 LYS C 3.034 H A 0009 LEU C
H A 0008 LYS C 3.729 H A 0009 LEU CB
H A 0009 LEU C 2.451 H A 0010 GLU CA
H A 0009 LEU C 2.930 H A 0010 GLU C
H A 0009 LEU C 3.735 H A 0010 GLU CB
H A 0010 GLU C 2.442 H A 0011 LEU CA
H A 0010 GLU C 2.936 H A 0011 LEU C
H A 0010 GLU C 3.715 H A 0011 LEU CB
H A 0010 GLU CB 3.551 H A 0040 ILE CG1
H A 0010 GLU CB 3.294 H A 0040 ILE CG2
H A 0010 GLU CB 3.678 H A 0040 ILE CD1
H A 0010 GLU CG 3.653 H A 0040 ILE CG1
H A 0010 GLU CD 3.513 H A 0040 ILE CG1
H A 0011 LEU C 2.430 H A 0012 GLN CA
H A 0011 LEU C 3.011 H A 0012 GLN C
H A 0011 LEU C 3.750 H A 0012 GLN CB
H A 0012 GLN C 2.427 H A 0013 LEU CA
H A 0012 GLN C 3.067 H A 0013 LEU C
H A 0012 GLN C 3.708 H A 0013 LEU CB
H A 0013 LEU C 2.455 H A 0014 ILE CA
H A 0013 LEU C 2.945 H A 0014 ILE C
H A 0013 LEU C 3.723 H A 0014 ILE CB
H A 0013 LEU C 3.730 H A 0017 TYR CD2
H A 0014 ILE CA 3.793 H A 0015 LYS CA
H A 0014 ILE C 2.434 H A 0015 LYS CA
H A 0014 ILE C 2.972 H A 0015 LYS C
H A 0014 ILE C 3.706 H A 0015 LYS CB
H A 0014 ILE CG1 3.556 H A 0040 ILE CD1
H A 0014 ILE CD1 3.534 H A 0040 ILE CD1
H A 0015 LYS C 2.453 H A 0016 GLN CA
H A 0015 LYS C 3.046 H A 0016 GLN C
H A 0015 LYS C 3.756 H A 0016 GLN CB
H A 0016 GLN C 2.453 H A 0017 TYR CA
H A 0016 GLN C 2.992 H A 0017 TYR C
H A 0016 GLN C 3.727 H A 0017 TYR CB
H A 0017 TYR C 2.444 H A 0018 ARG CA
H A 0017 TYR C 3.120 H A 0018 ARG C
H A 0017 TYR C 3.709 H A 0018 ARG CB
H A 0017 TYR CE1 3.791 H A 0032 ILE CG2
H A 0017 TYR CZ 3.637 H A 0032 ILE CG2
H A 0017 TYR CB 3.327 H A 0033 LEU CB
H A 0017 TYR CB 3.573 H A 0033 LEU CD2
H A 0017 TYR CG 3.361 H A 0033 LEU CB
H A 0017 TYR CD1 3.702 H A 0033 LEU CB
H A 0017 TYR CD2 3.645 H A 0033 LEU CB
H A 0018 ARG CA 3.792 H A 0019 GLU CA
H A 0018 ARG C 2.423 H A 0019 GLU CA
H A 0018 ARG C 3.006 H A 0019 GLU C
H A 0018 ARG C 3.702 H A 0019 GLU CB
H A 0019 GLU C 2.420 H A 0020 ALA CA
H A 0019 GLU C 3.002 H A 0020 ALA C
H A 0019 GLU C 3.697 H A 0020 ALA CB
H A 0020 ALA C 2.468 H A 0021 LEU CA
H A 0020 ALA C 2.923 H A 0021 LEU C
H A 0020 ALA C 3.716 H A 0021 LEU CB
H A 0021 LEU C 2.440 H A 0022 GLU CA
H A 0021 LEU C 3.120 H A 0022 GLU C
H A 0021 LEU C 3.692 H A 0022 GLU CB
H A 0021 LEU CD1 3.608 H A 0030 ALA CB
H A 0022 GLU C 2.443 H A 0023 TYR CA
H A 0022 GLU C 3.000 H A 0023 TYR C
H A 0022 GLU C 3.686 H A 0023 TYR CB
H A 0023 TYR C 2.448 H A 0024 VAL CA
H A 0023 TYR C 3.249 H A 0024 VAL C
H A 0023 TYR C 3.645 H A 0024 VAL CB
H A 0024 VAL C 2.501 H A 0025 LYS CA
H A 0024 VAL C 3.022 H A 0025 LYS C
H A 0024 VAL C 3.294 H A 0025 LYS CB
H A 0024 VAL C 3.210 H A 0025 LYS CG
H A 0024 VAL CG1 3.507 H A 0029 LEU CD1
H A 0025 LYS C 2.449 H A 0026 LEU CA
H A 0025 LYS C 3.628 H A 0026 LEU C
H A 0025 LYS C 3.296 H A 0026 LEU CB
H A 0026 LEU CA 2.992 H A 0027 PRO CD
H A 0026 LEU C 2.453 H A 0027 PRO CA
H A 0026 LEU C 3.024 H A 0027 PRO C
H A 0026 LEU C 3.682 H A 0027 PRO CB
H A 0026 LEU C 3.675 H A 0027 PRO CG
H A 0026 LEU C 2.511 H A 0027 PRO CD
H A 0026 LEU CD2 3.695 H A 0028 VAL CB
H A 0026 LEU CD2 3.642 H A 0028 VAL CG2
H A 0027 PRO C 2.441 H A 0028 VAL CA
H A 0027 PRO C 2.955 H A 0028 VAL C
H A 0027 PRO C 3.729 H A 0028 VAL CB
H A 0028 VAL C 2.419 H A 0029 LEU CA
H A 0028 VAL C 2.932 H A 0029 LEU C
H A 0028 VAL C 3.715 H A 0029 LEU CB
H A 0028 VAL CG1 3.788 H A 0032 ILE CD1
H A 0029 LEU C 2.421 H A 0030 ALA CA
H A 0029 LEU C 2.977 H A 0030 ALA C
H A 0029 LEU C 3.733 H A 0030 ALA CB
H A 0030 ALA C 2.405 H A 0031 LYS CA
H A 0030 ALA C 3.055 H A 0031 LYS C
H A 0030 ALA C 3.702 H A 0031 LYS CB
H A 0030 ALA C 3.779 H A 0031 LYS CE
H A 0030 ALA CA 3.746 H A 0033 LEU CG
H A 0030 ALA CA 3.737 H A 0033 LEU CD2
H A 0031 LYS C 2.412 H A 0032 ILE CA
H A 0031 LYS C 2.959 H A 0032 ILE C
H A 0031 LYS C 3.697 H A 0032 ILE CB
H A 0032 ILE CA 3.793 H A 0033 LEU CA
H A 0032 ILE C 2.433 H A 0033 LEU CA
H A 0032 ILE C 2.930 H A 0033 LEU C
H A 0032 ILE C 3.704 H A 0033 LEU CB
H A 0033 LEU C 2.464 H A 0034 GLU CA
H A 0033 LEU C 3.010 H A 0034 GLU C
H A 0033 LEU C 3.740 H A 0034 GLU CB
H A 0034 GLU CA 3.795 H A 0035 ASP CA
H A 0034 GLU C 2.426 H A 0035 ASP CA
H A 0034 GLU C 2.947 H A 0035 ASP C
H A 0034 GLU C 3.720 H A 0035 ASP CB
H A 0034 GLU C 3.766 H A 0037 GLU CB
H A 0035 ASP C 2.435 H A 0036 GLU CA
H A 0035 ASP C 2.953 H A 0036 GLU C
H A 0035 ASP C 3.727 H A 0036 GLU CB
H A 0036 GLU C 2.468 H A 0037 GLU CA
H A 0036 GLU C 2.949 H A 0037 GLU C
H A 0036 GLU C 3.714 H A 0037 GLU CB
H A 0036 GLU C 3.602 H A 0040 ILE CD1
H A 0037 GLU C 2.436 H A 0038 LYS CA
H A 0037 GLU C 3.054 H A 0038 LYS C
H A 0037 GLU C 3.687 H A 0038 LYS CB
H A 0038 LYS C 2.422 H A 0039 HIS CA
H A 0038 LYS C 2.962 H A 0039 HIS C
H A 0038 LYS C 3.705 H A 0039 HIS CB
H A 0039 HIS C 2.457 H A 0040 ILE CA
H A 0039 HIS C 2.973 H A 0040 ILE C
H A 0039 HIS C 3.707 H A 0040 ILE CB
H A 0040 ILE C 2.464 H A 0041 GLU CA
H A 0040 ILE C 2.959 H A 0041 GLU C
H A 0040 ILE C 3.735 H A 0041 GLU CB
H A 0041 GLU C 2.436 H A 0042 TRP CA
H A 0041 GLU C 2.950 H A 0042 TRP C
H A 0041 GLU C 3.710 H A 0042 TRP CB
H A 0042 TRP C 2.446 H A 0043 LEU CA
H A 0042 TRP C 3.086 H A 0043 LEU C
H A 0042 TRP C 3.745 H A 0043 LEU CB
H A 0042 TRP CZ3 3.513 C A 0046 ILE CD1
H A 0043 LEU C 2.455 H A 0044 GLU CA
H A 0043 LEU C 3.190 H A 0044 GLU C
H A 0043 LEU C 3.717 H A 0044 GLU CB
H A 0044 GLU C 2.455 C A 0045 THR CA
H A 0044 GLU C 3.623 C A 0045 THR C
H A 0044 GLU C 3.221 C A 0045 THR CB
C A 0045 THR C 2.488 C A 0046 ILE CA
C A 0045 THR C 2.961 C A 0046 ILE C
C A 0045 THR C 3.295 C A 0046 ILE CB
C A 0045 THR C 3.270 C A 0046 ILE CG2
C A 0046 ILE C 2.498 C A 0047 LEU CA
C A 0046 ILE C 3.183 C A 0047 LEU C
C A 0046 ILE C 3.084 C A 0047 LEU CB
C A 0047 LEU C 2.460 C A 0048 GLY CA
C A 0047 LEU C 3.456 C A 0048 GLY C
CHARGE_ATTR 2.00 12.00 65
C A 0001 ASP OD1 6.115 C A 0004 ARG NH1
C A 0001 ASP OD1 4.235 C A 0004 ARG NH2
C A 0001 ASP OD2 8.223 C A 0004 ARG NH1
C A 0001 ASP OD2 6.422 C A 0004 ARG NH2
C A 0001 ASP OD1 10.88 H A 0008 LYS NZ
C A 0001 ASP OD2 11.96 H A 0008 LYS NZ
C A 0005 GLU OE1 5.198 C A 0004 ARG NH1
C A 0005 GLU OE1 4.601 C A 0004 ARG NH2
C A 0005 GLU OE2 5.443 C A 0004 ARG NH1
C A 0005 GLU OE2 5.264 C A 0004 ARG NH2
C A 0005 GLU OE1 10.33 H A 0008 LYS NZ
C A 0005 GLU OE2 11.24 H A 0008 LYS NZ
H A 0010 GLU OE1 8.805 H A 0039 HIS ND1
H A 0010 GLU OE1 10.73 H A 0039 HIS NE2
H A 0010 GLU OE2 7.661 H A 0039 HIS ND1
H A 0010 GLU OE2 9.680 H A 0039 HIS NE2
H A 0019 GLU OE1 9.929 H A 0015 LYS NZ
H A 0019 GLU OE1 9.766 H A 0018 ARG NH1
H A 0019 GLU OE1 11.92 H A 0018 ARG NH2
H A 0019 GLU OE2 11.04 H A 0018 ARG NH1
H A 0022 GLU OE1 7.520 H A 0018 ARG NH1
H A 0022 GLU OE1 8.035 H A 0018 ARG NH2
H A 0022 GLU OE2 6.394 H A 0018 ARG NH1
H A 0022 GLU OE2 7.516 H A 0018 ARG NH2
H A 0022 GLU OE1 11.88 H A 0025 LYS NZ
H A 0034 GLU OE1 11.41 H A 0018 ARG NH2
H A 0034 GLU OE1 3.569 H A 0031 LYS NZ
H A 0034 GLU OE2 5.783 H A 0031 LYS NZ
H A 0034 GLU OE1 10.56 H A 0038 LYS NZ
H A 0034 GLU OE2 8.423 H A 0038 LYS NZ
H A 0034 GLU OE1 12.00 H A 0039 HIS NE2
H A 0034 GLU OE2 11.10 H A 0039 HIS ND1
H A 0034 GLU OE2 10.28 H A 0039 HIS NE2
H A 0035 ASP OD1 10.81 H A 0031 LYS NZ
H A 0035 ASP OD2 9.426 H A 0031 LYS NZ
H A 0035 ASP OD1 10.72 H A 0038 LYS NZ
H A 0035 ASP OD2 10.09 H A 0038 LYS NZ
H A 0035 ASP OD1 5.045 H A 0039 HIS ND1
H A 0035 ASP OD1 4.762 H A 0039 HIS NE2
H A 0035 ASP OD2 6.856 H A 0039 HIS ND1
H A 0035 ASP OD2 5.984 H A 0039 HIS NE2
H A 0036 GLU OE1 4.622 H A 0039 HIS ND1
H A 0036 GLU OE1 6.247 H A 0039 HIS NE2
H A 0036 GLU OE2 6.671 H A 0039 HIS ND1
H A 0036 GLU OE2 8.428 H A 0039 HIS NE2
H A 0037 GLU OE1 11.30 H A 0015 LYS NZ
H A 0037 GLU OE2 11.04 H A 0015 LYS NZ
H A 0037 GLU OE2 10.94 H A 0018 ARG NH1
H A 0037 GLU OE2 10.35 H A 0018 ARG NH2
H A 0037 GLU OE2 11.29 H A 0031 LYS NZ
H A 0037 GLU OE1 8.278 H A 0038 LYS NZ
H A 0037 GLU OE2 8.546 H A 0038 LYS NZ
H A 0037 GLU OE1 10.69 H A 0039 HIS ND1
H A 0037 GLU OE1 10.96 H A 0039 HIS NE2
H A 0041 GLU OE1 3.609 H A 0038 LYS NZ
H A 0041 GLU OE2 4.808 H A 0038 LYS NZ
H A 0041 GLU OE1 10.89 H A 0039 HIS ND1
H A 0041 GLU OE1 10.18 H A 0039 HIS NE2
H A 0041 GLU OE2 11.89 H A 0039 HIS ND1
H A 0041 GLU OE2 11.39 H A 0039 HIS NE2
H A 0044 GLU OE1 9.537 H A 0008 LYS NZ
H A 0044 GLU OE2 11.31 H A 0008 LYS NZ
H A 0044 GLU OE1 10.55 H A 0015 LYS NZ
H A 0044 GLU OE2 10.38 H A 0015 LYS NZ
H A 0044 GLU OE2 11.90 H A 0038 LYS NZ
CHARGE_REPU 2.00 12.00 70
C A 0001 ASP OD1 5.793 C A 0005 GLU OE1
C A 0001 ASP OD1 7.550 C A 0005 GLU OE2
C A 0001 ASP OD2 7.019 C A 0005 GLU OE1
C A 0001 ASP OD2 8.995 C A 0005 GLU OE2
C A 0004 ARG NH1 8.116 H A 0008 LYS NZ
C A 0004 ARG NH2 9.711 H A 0008 LYS NZ
C A 0005 GLU OE1 11.93 H A 0010 GLU OE2
H A 0010 GLU OE1 10.66 H A 0035 ASP OD1
H A 0010 GLU OE2 10.52 H A 0035 ASP OD1
H A 0010 GLU OE1 6.286 H A 0036 GLU OE1
H A 0010 GLU OE1 5.555 H A 0036 GLU OE2
H A 0010 GLU OE2 6.201 H A 0036 GLU OE1
H A 0010 GLU OE2 5.943 H A 0036 GLU OE2
H A 0010 GLU OE1 9.394 H A 0037 GLU OE1
H A 0010 GLU OE1 10.98 H A 0037 GLU OE2
H A 0010 GLU OE2 10.11 H A 0037 GLU OE1
H A 0010 GLU OE2 11.92 H A 0037 GLU OE2
H A 0010 GLU OE1 9.542 H A 0044 GLU OE1
H A 0010 GLU OE1 8.096 H A 0044 GLU OE2
H A 0010 GLU OE2 9.871 H A 0044 GLU OE1
H A 0010 GLU OE2 8.552 H A 0044 GLU OE2
H A 0015 LYS NZ 8.346 H A 0018 ARG NH1
H A 0015 LYS NZ 10.02 H A 0018 ARG NH2
H A 0018 ARG NH2 10.70 H A 0031 LYS NZ
H A 0019 GLU OE1 10.28 H A 0022 GLU OE1
H A 0019 GLU OE1 8.286 H A 0022 GLU OE2
H A 0019 GLU OE2 10.17 H A 0022 GLU OE1
H A 0019 GLU OE2 8.445 H A 0022 GLU OE2
H A 0034 GLU OE1 8.453 H A 0035 ASP OD1
H A 0034 GLU OE1 7.008 H A 0035 ASP OD2
H A 0034 GLU OE2 7.365 H A 0035 ASP OD1
H A 0034 GLU OE2 5.915 H A 0035 ASP OD2
H A 0034 GLU OE1 11.41 H A 0036 GLU OE1
H A 0034 GLU OE2 10.56 H A 0036 GLU OE1
H A 0034 GLU OE2 11.91 H A 0036 GLU OE2
H A 0034 GLU OE1 9.988 H A 0037 GLU OE1
H A 0034 GLU OE1 8.669 H A 0037 GLU OE2
H A 0034 GLU OE2 8.763 H A 0037 GLU OE1
H A 0034 GLU OE2 7.728 H A 0037 GLU OE2
H A 0034 GLU OE1 11.36 H A 0041 GLU OE2
H A 0034 GLU OE2 10.12 H A 0041 GLU OE1
H A 0034 GLU OE2 9.595 H A 0041 GLU OE2
H A 0035 ASP OD1 4.833 H A 0036 GLU OE1
H A 0035 ASP OD1 6.688 H A 0036 GLU OE2
H A 0035 ASP OD2 6.953 H A 0036 GLU OE1
H A 0035 ASP OD2 8.697 H A 0036 GLU OE2
H A 0035 ASP OD1 10.61 H A 0037 GLU OE1
H A 0035 ASP OD1 11.08 H A 0037 GLU OE2
H A 0035 ASP OD2 11.01 H A 0037 GLU OE1
H A 0035 ASP OD2 11.12 H A 0037 GLU OE2
H A 0035 ASP OD1 11.77 H A 0041 GLU OE1
H A 0035 ASP OD2 11.74 H A 0041 GLU OE1
H A 0036 GLU OE1 10.13 H A 0037 GLU OE1
H A 0036 GLU OE1 11.19 H A 0037 GLU OE2
H A 0036 GLU OE2 11.06 H A 0037 GLU OE1
H A 0036 GLU OE1 11.74 H A 0044 GLU OE2
H A 0037 GLU OE1 6.227 H A 0041 GLU OE1
H A 0037 GLU OE1 4.791 H A 0041 GLU OE2
H A 0037 GLU OE2 7.130 H A 0041 GLU OE1
H A 0037 GLU OE2 5.336 H A 0041 GLU OE2
H A 0037 GLU OE1 7.350 H A 0044 GLU OE1
H A 0037 GLU OE1 5.356 H A 0044 GLU OE2
H A 0037 GLU OE2 9.070 H A 0044 GLU OE1
H A 0037 GLU OE2 7.224 H A 0044 GLU OE2
H A 0038 LYS NZ 10.85 H A 0039 HIS ND1
H A 0038 LYS NZ 9.520 H A 0039 HIS NE2
H A 0041 GLU OE1 10.01 H A 0044 GLU OE1
H A 0041 GLU OE1 8.739 H A 0044 GLU OE2
H A 0041 GLU OE2 9.209 H A 0044 GLU OE1
H A 0041 GLU OE2 7.888 H A 0044 GLU OE2
HB_MM 2.00 3.20 108
C A 0002 TYR N 2.238 C A 0001 ASP O
C A 0003 LEU N 2.822 C A 0001 ASP O
C A 0003 LEU N 2.245 C A 0002 TYR O
C A 0004 ARG N 3.172 C A 0001 ASP O
C A 0004 ARG N 2.239 C A 0003 LEU O
C A 0005 GLU N 3.154 C A 0003 LEU O
C A 0005 GLU N 2.239 C A 0004 ARG O
C A 0006 LEU N 2.238 C A 0005 GLU O
H A 0007 LEU N 2.858 C A 0003 LEU O
H A 0007 LEU N 2.244 C A 0006 LEU O
H A 0008 LYS N 3.078 C A 0004 ARG O
H A 0008 LYS N 2.223 H A 0007 LEU O
H A 0009 LEU N 2.925 C A 0004 ARG O
H A 0009 LEU N 2.237 H A 0008 LYS O
H A 0010 GLU N 2.959 H A 0007 LEU O
H A 0010 GLU N 2.257 H A 0009 LEU O
H A 0011 LEU N 2.954 H A 0007 LEU O
H A 0011 LEU N 3.091 H A 0009 LEU O
H A 0011 LEU N 2.248 H A 0010 GLU O
H A 0012 GLN N 2.876 H A 0009 LEU O
H A 0012 GLN N 2.250 H A 0011 LEU O
H A 0013 LEU N 3.083 H A 0009 LEU O
H A 0013 LEU N 2.850 H A 0010 GLU O
H A 0013 LEU N 2.225 H A 0012 GLN O
H A 0014 ILE N 2.887 H A 0010 GLU O
H A 0014 ILE N 2.227 H A 0013 LEU O
H A 0015 LYS N 2.972 H A 0011 LEU O
H A 0015 LYS N 2.230 H A 0014 ILE O
H A 0016 GLN N 2.684 H A 0012 GLN O
H A 0016 GLN N 3.104 H A 0013 LEU O
H A 0016 GLN N 2.230 H A 0015 LYS O
H A 0017 TYR N 2.639 H A 0013 LEU O
H A 0017 TYR N 3.101 H A 0014 ILE O
H A 0017 TYR N 2.235 H A 0016 GLN O
H A 0018 ARG N 3.070 H A 0015 LYS O
H A 0018 ARG N 3.170 H A 0016 GLN O
H A 0018 ARG N 2.244 H A 0017 TYR O
H A 0019 GLU N 2.947 H A 0016 GLN O
H A 0019 GLU N 2.243 H A 0018 ARG O
H A 0020 ALA N 2.807 H A 0016 GLN O
H A 0020 ALA N 2.247 H A 0019 GLU O
H A 0021 LEU N 2.825 H A 0017 TYR O
H A 0021 LEU N 3.196 H A 0019 GLU O
H A 0021 LEU N 2.249 H A 0020 ALA O
H A 0022 GLU N 3.090 H A 0019 GLU O
H A 0022 GLU N 3.050 H A 0020 ALA O
H A 0022 GLU N 2.249 H A 0021 LEU O
H A 0023 TYR N 3.178 H A 0020 ALA O
H A 0023 TYR N 2.244 H A 0022 GLU O
H A 0024 VAL N 2.805 H A 0020 ALA O
H A 0024 VAL N 2.246 H A 0023 TYR O
H A 0025 LYS N 2.752 H A 0021 LEU O
H A 0025 LYS N 3.161 H A 0022 GLU O
H A 0025 LYS N 2.250 H A 0024 VAL O
H A 0026 LEU N 2.245 H A 0025 LYS O
H A 0027 PRO N 2.245 H A 0026 LEU O
H A 0028 VAL N 3.086 H A 0026 LEU O
H A 0028 VAL N 2.240 H A 0027 PRO O
H A 0029 LEU N 3.018 H A 0026 LEU O
H A 0029 LEU N 3.172 H A 0027 PRO O
H A 0029 LEU N 2.234 H A 0028 VAL O
H A 0030 ALA N 2.901 H A 0027 PRO O
H A 0030 ALA N 2.239 H A 0029 LEU O
H A 0031 LYS N 2.845 H A 0027 PRO O
H A 0031 LYS N 3.007 H A 0028 VAL O
H A 0031 LYS N 2.224 H A 0030 ALA O
H A 0032 ILE N 2.754 H A 0028 VAL O
H A 0032 ILE N 2.980 H A 0029 LEU O
H A 0032 ILE N 2.246 H A 0031 LYS O
H A 0033 LEU N 2.794 H A 0029 LEU O
H A 0033 LEU N 2.254 H A 0032 ILE O
H A 0034 GLU N 3.021 H A 0030 ALA O
H A 0034 GLU N 2.251 H A 0033 LEU O
H A 0035 ASP N 3.013 H A 0031 LYS O
H A 0035 ASP N 3.151 H A 0032 ILE O
H A 0035 ASP N 2.250 H A 0034 GLU O
H A 0036 GLU N 2.953 H A 0032 ILE O
H A 0036 GLU N 2.258 H A 0035 ASP O
H A 0037 GLU N 2.862 H A 0033 LEU O
H A 0037 GLU N 2.914 H A 0034 GLU O
H A 0037 GLU N 2.247 H A 0036 GLU O
H A 0038 LYS N 3.057 H A 0036 GLU O
H A 0038 LYS N 2.229 H A 0037 GLU O
H A 0039 HIS N 2.856 H A 0036 GLU O
H A 0039 HIS N 2.234 H A 0038 LYS O
H A 0040 ILE N 2.863 H A 0036 GLU O
H A 0040 ILE N 2.243 H A 0039 HIS O
H A 0041 GLU N 2.765 H A 0037 GLU O
H A 0041 GLU N 2.245 H A 0040 ILE O
H A 0042 TRP N 3.052 H A 0038 LYS O
H A 0042 TRP N 2.933 H A 0039 HIS O
H A 0042 TRP N 3.168 H A 0040 ILE O
H A 0042 TRP N 2.245 H A 0041 GLU O
H A 0043 LEU N 2.842 H A 0040 ILE O
H A 0043 LEU N 3.181 H A 0041 GLU O
H A 0043 LEU N 2.245 H A 0042 TRP O
H A 0044 GLU N 2.884 H A 0040 ILE O
H A 0044 GLU N 2.923 H A 0041 GLU O
H A 0044 GLU N 2.241 H A 0043 LEU O
C A 0045 THR N 2.983 H A 0041 GLU O
C A 0045 THR N 2.882 H A 0043 LEU O
C A 0045 THR N 2.237 H A 0044 GLU O
C A 0046 ILE N 2.805 H A 0042 TRP O
C A 0046 ILE N 2.258 C A 0045 THR O
C A 0047 LEU N 2.251 C A 0046 ILE O
C A 0048 GLY N 2.962 C A 0045 THR O
C A 0048 GLY N 2.839 C A 0046 ILE O
C A 0048 GLY N 2.249 C A 0047 LEU O
HB_MS 2.00 3.20 2
H A 0008 LYS O 2.707 H A 0012 GLN NE2
H A 0012 GLN O 3.130 H A 0016 GLN NE2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 46
C A 0002 TYR CD1 3.771 H B 0020 ALA CB
C A 0002 TYR CE1 3.601 H B 0023 TYR CB
C A 0002 TYR CZ 3.690 H B 0023 TYR CB
C A 0002 TYR CD1 3.650 C B 0024 VAL CG2
C A 0006 LEU CD1 3.728 H B 0020 ALA CB
C A 0006 LEU CD2 3.411 H B 0020 ALA CB
H A 0009 LEU CB 3.476 H B 0013 LEU CD2
H A 0009 LEU CD1 3.363 H B 0013 LEU CD2
H A 0010 GLU CD 3.264 H B 0013 LEU CD1
H A 0013 LEU CD1 3.718 H B 0010 GLU CA
H A 0013 LEU CD1 3.242 H B 0010 GLU CD
H A 0013 LEU CD1 3.308 H B 0013 LEU CD1
H A 0017 TYR CA 3.698 H B 0006 LEU CD1
H A 0017 TYR CG 3.378 H B 0006 LEU CD2
H A 0017 TYR CD1 3.609 H B 0006 LEU CD1
H A 0017 TYR CD1 3.704 H B 0006 LEU CD2
H A 0017 TYR CD2 3.510 H B 0006 LEU CD2
H A 0020 ALA CB 3.063 H B 0006 LEU CD1
H A 0023 TYR CB 3.706 H B 0002 TYR CE1
H A 0023 TYR CB 3.744 H B 0002 TYR CZ
H A 0023 TYR CG 3.256 H B 0002 TYR CE1
H A 0023 TYR CG 3.496 H B 0002 TYR CZ
H A 0023 TYR CD1 3.521 H B 0002 TYR CE1
H A 0023 TYR CD1 3.369 H B 0002 TYR CZ
H A 0023 TYR CD2 3.798 H B 0002 TYR CD1
H A 0023 TYR CD2 3.418 H B 0002 TYR CE1
H A 0028 VAL CG1 3.722 H B 0042 TRP CE2
H A 0028 VAL CG1 3.686 H B 0042 TRP CZ2
H A 0029 LEU CD1 3.635 H B 0042 TRP CZ3
H A 0032 ILE CG2 3.728 H B 0039 HIS CB
H A 0032 ILE CD1 3.788 H B 0042 TRP CB
H A 0032 ILE CD1 3.635 H B 0042 TRP CG
H A 0032 ILE CD1 3.491 H B 0042 TRP CD2
H A 0032 ILE CD1 3.382 H B 0042 TRP CE3
H A 0035 ASP CB 3.625 H B 0039 HIS CE1
H A 0035 ASP CG 3.716 H B 0039 HIS CE1
H A 0036 GLU CD 3.385 H B 0036 GLU CD
H A 0036 GLU CD 3.569 H B 0039 HIS CB
H A 0036 GLU CD 3.672 H B 0039 HIS CG
H A 0036 GLU CD 3.498 H B 0039 HIS CD2
H A 0039 HIS CB 3.771 H B 0032 ILE CG2
H A 0039 HIS CE1 3.400 H B 0035 ASP CB
H A 0039 HIS CE1 3.682 H B 0035 ASP CG
H A 0042 TRP CH2 3.759 H B 0026 LEU CD1
H A 0042 TRP CZ3 3.719 H B 0028 VAL CG1
H A 0042 TRP CH2 3.785 H B 0028 VAL CG1
CHARGE_ATTR 2.00 12.00 38
C A 0004 ARG NH1 11.02 H B 0019 GLU OE1
C A 0004 ARG NH1 9.983 H B 0019 GLU OE2
C A 0004 ARG NH2 9.657 H B 0019 GLU OE1
C A 0004 ARG NH2 8.313 H B 0019 GLU OE2
H A 0010 GLU OE1 10.45 H B 0039 HIS ND1
H A 0010 GLU OE1 10.22 H B 0039 HIS NE2
H A 0010 GLU OE2 10.80 H B 0039 HIS ND1
H A 0010 GLU OE2 10.20 H B 0039 HIS NE2
H A 0034 GLU OE1 10.08 H B 0039 HIS ND1
H A 0034 GLU OE1 9.921 H B 0039 HIS NE2
H A 0034 GLU OE2 9.954 H B 0039 HIS ND1
H A 0034 GLU OE2 9.329 H B 0039 HIS NE2
H A 0035 ASP OD1 10.55 H B 0038 LYS NZ
H A 0035 ASP OD2 11.18 H B 0038 LYS NZ
H A 0035 ASP OD1 4.632 H B 0039 HIS ND1
H A 0035 ASP OD1 2.761 H B 0039 HIS NE2
H A 0035 ASP OD2 5.854 H B 0039 HIS ND1
H A 0035 ASP OD2 4.413 H B 0039 HIS NE2
H A 0036 GLU OE1 11.53 H B 0038 LYS NZ
H A 0036 GLU OE2 11.73 H B 0038 LYS NZ
H A 0036 GLU OE1 4.823 H B 0039 HIS ND1
H A 0036 GLU OE1 4.012 H B 0039 HIS NE2
H A 0036 GLU OE2 5.094 H B 0039 HIS ND1
H A 0036 GLU OE2 5.202 H B 0039 HIS NE2
H A 0039 HIS ND1 10.15 H B 0010 GLU OE1
H A 0039 HIS ND1 11.14 H B 0010 GLU OE2
H A 0039 HIS ND1 10.28 H B 0034 GLU OE1
H A 0039 HIS ND1 9.880 H B 0034 GLU OE2
H A 0039 HIS NE2 10.82 H B 0034 GLU OE1
H A 0039 HIS NE2 10.18 H B 0034 GLU OE2
H A 0039 HIS ND1 4.888 H B 0035 ASP OD1
H A 0039 HIS ND1 4.773 H B 0035 ASP OD2
H A 0039 HIS NE2 5.150 H B 0035 ASP OD1
H A 0039 HIS NE2 4.370 H B 0035 ASP OD2
H A 0039 HIS ND1 6.133 H B 0036 GLU OE1
H A 0039 HIS ND1 4.304 H B 0036 GLU OE2
H A 0039 HIS NE2 8.240 H B 0036 GLU OE1
H A 0039 HIS NE2 6.303 H B 0036 GLU OE2
CHARGE_REPU 2.00 12.00 79
C A 0001 ASP OD1 9.889 H B 0019 GLU OE1
C A 0001 ASP OD1 7.913 H B 0019 GLU OE2
C A 0001 ASP OD2 10.35 H B 0019 GLU OE1
C A 0001 ASP OD2 8.240 H B 0019 GLU OE2
C A 0005 GLU OE1 6.868 H B 0019 GLU OE1
C A 0005 GLU OE1 5.997 H B 0019 GLU OE2
C A 0005 GLU OE2 6.504 H B 0019 GLU OE1
C A 0005 GLU OE2 6.261 H B 0019 GLU OE2
H A 0010 GLU OE1 4.500 H B 0010 GLU OE1
H A 0010 GLU OE1 5.272 H B 0010 GLU OE2
H A 0010 GLU OE2 5.544 H B 0010 GLU OE1
H A 0010 GLU OE2 6.900 H B 0010 GLU OE2
H A 0010 GLU OE1 11.30 H B 0035 ASP OD1
H A 0010 GLU OE2 10.69 H B 0035 ASP OD1
H A 0010 GLU OE2 11.65 H B 0035 ASP OD2
H A 0010 GLU OE1 3.488 H B 0036 GLU OE1
H A 0010 GLU OE1 4.518 H B 0036 GLU OE2
H A 0010 GLU OE2 2.902 H B 0036 GLU OE1
H A 0010 GLU OE2 3.664 H B 0036 GLU OE2
H A 0019 GLU OE1 8.263 H B 0001 ASP OD1
H A 0019 GLU OE1 6.864 H B 0001 ASP OD2
H A 0019 GLU OE2 6.857 H B 0001 ASP OD1
H A 0019 GLU OE2 5.149 H B 0001 ASP OD2
H A 0019 GLU OE1 5.743 H B 0005 GLU OE1
H A 0019 GLU OE1 4.479 H B 0005 GLU OE2
H A 0019 GLU OE2 4.408 H B 0005 GLU OE1
H A 0019 GLU OE2 4.022 H B 0005 GLU OE2
H A 0022 GLU OE2 11.96 H B 0005 GLU OE1
H A 0022 GLU OE2 11.78 H B 0005 GLU OE2
H A 0031 LYS NZ 11.12 H B 0039 HIS ND1
H A 0031 LYS NZ 11.59 H B 0039 HIS NE2
H A 0034 GLU OE2 11.12 H B 0035 ASP OD1
H A 0034 GLU OE2 11.83 H B 0035 ASP OD2
H A 0034 GLU OE2 11.97 H B 0036 GLU OE2
H A 0035 ASP OD1 10.92 H B 0010 GLU OE1
H A 0035 ASP OD1 11.02 H B 0010 GLU OE2
H A 0035 ASP OD1 11.73 H B 0034 GLU OE2
H A 0035 ASP OD1 3.819 H B 0035 ASP OD1
H A 0035 ASP OD1 4.874 H B 0035 ASP OD2
H A 0035 ASP OD2 5.420 H B 0035 ASP OD1
H A 0035 ASP OD2 6.066 H B 0035 ASP OD2
H A 0035 ASP OD1 8.310 H B 0036 GLU OE1
H A 0035 ASP OD1 6.934 H B 0036 GLU OE2
H A 0035 ASP OD2 10.43 H B 0036 GLU OE1
H A 0035 ASP OD2 8.979 H B 0036 GLU OE2
H A 0036 GLU OE1 6.274 H B 0010 GLU OE1
H A 0036 GLU OE1 6.834 H B 0010 GLU OE2
H A 0036 GLU OE2 4.257 H B 0010 GLU OE1
H A 0036 GLU OE2 4.793 H B 0010 GLU OE2
H A 0036 GLU OE1 11.73 H B 0034 GLU OE2
H A 0036 GLU OE1 5.193 H B 0035 ASP OD1
H A 0036 GLU OE1 6.799 H B 0035 ASP OD2
H A 0036 GLU OE2 6.690 H B 0035 ASP OD1
H A 0036 GLU OE2 8.523 H B 0035 ASP OD2
H A 0036 GLU OE1 3.630 H B 0036 GLU OE1
H A 0036 GLU OE1 3.083 H B 0036 GLU OE2
H A 0036 GLU OE2 3.248 H B 0036 GLU OE1
H A 0036 GLU OE2 4.052 H B 0036 GLU OE2
H A 0036 GLU OE1 11.25 H B 0037 GLU OE1
H A 0036 GLU OE1 10.41 H B 0037 GLU OE2
H A 0036 GLU OE2 10.53 H B 0037 GLU OE1
H A 0036 GLU OE2 9.308 H B 0037 GLU OE2
H A 0036 GLU OE2 11.72 H B 0041 GLU OE1
H A 0036 GLU OE2 11.57 H B 0044 GLU OE1
H A 0036 GLU OE2 11.80 H B 0044 GLU OE2
H A 0037 GLU OE1 10.62 H B 0036 GLU OE1
H A 0037 GLU OE1 9.260 H B 0036 GLU OE2
H A 0037 GLU OE2 10.84 H B 0036 GLU OE2
H A 0039 HIS ND1 11.14 H B 0031 LYS NZ
H A 0039 HIS NE2 10.75 H B 0031 LYS NZ
H A 0039 HIS ND1 7.883 H B 0039 HIS ND1
H A 0039 HIS ND1 5.941 H B 0039 HIS NE2
H A 0039 HIS NE2 8.577 H B 0039 HIS ND1
H A 0039 HIS NE2 6.436 H B 0039 HIS NE2
H A 0041 GLU OE1 11.59 H B 0036 GLU OE2
H A 0041 GLU OE2 11.96 H B 0036 GLU OE2
H A 0044 GLU OE1 11.42 H B 0036 GLU OE2
H A 0044 GLU OE2 10.46 H B 0036 GLU OE1
H A 0044 GLU OE2 9.636 H B 0036 GLU OE2
HB_SS 2.00 3.20 1
H A 0010 GLU OE2 2.759 H B 0017 TYR OH
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 177
H B 0001 ASP C 2.458 H B 0002 TYR CA
H B 0001 ASP C 2.932 H B 0002 TYR C
H B 0001 ASP C 3.692 H B 0002 TYR CB
H B 0002 TYR C 2.442 H B 0003 LEU CA
H B 0002 TYR C 3.142 H B 0003 LEU C
H B 0002 TYR C 3.703 H B 0003 LEU CB
H B 0003 LEU C 2.417 H B 0004 ARG CA
H B 0003 LEU C 2.863 H B 0004 ARG C
H B 0003 LEU C 3.724 H B 0004 ARG CB
H B 0004 ARG C 2.448 H B 0005 GLU CA
H B 0004 ARG C 3.144 H B 0005 GLU C
H B 0004 ARG C 3.702 H B 0005 GLU CB
H B 0005 GLU C 2.434 H B 0006 LEU CA
H B 0005 GLU C 3.433 H B 0006 LEU C
H B 0005 GLU C 3.501 H B 0006 LEU CB
H B 0005 GLU C 3.671 H B 0006 LEU CG
H B 0006 LEU C 2.449 H B 0007 LEU CA
H B 0006 LEU C 3.598 H B 0007 LEU C
H B 0006 LEU C 3.282 H B 0007 LEU CB
H B 0006 LEU C 3.401 H B 0010 GLU CG
H B 0006 LEU CB 3.365 H B 0043 LEU CD2
H B 0007 LEU CA 3.796 H B 0008 LYS CA
H B 0007 LEU C 2.418 H B 0008 LYS CA
H B 0007 LEU C 2.974 H B 0008 LYS C
H B 0007 LEU C 3.715 H B 0008 LYS CB
H B 0007 LEU CD1 3.616 H B 0044 GLU CA
H B 0007 LEU CD1 3.537 H B 0044 GLU CB
H B 0008 LYS C 2.435 H B 0009 LEU CA
H B 0008 LYS C 3.121 H B 0009 LEU C
H B 0008 LYS C 3.697 H B 0009 LEU CB
H B 0009 LEU C 2.451 H B 0010 GLU CA
H B 0009 LEU C 3.081 H B 0010 GLU C
H B 0009 LEU C 3.721 H B 0010 GLU CB
H B 0009 LEU CA 3.750 H B 0012 GLN CG
H B 0009 LEU C 3.552 H B 0012 GLN CG
H B 0010 GLU C 2.460 H B 0011 LEU CA
H B 0010 GLU C 2.994 H B 0011 LEU C
H B 0010 GLU C 3.730 H B 0011 LEU CB
H B 0010 GLU CB 3.539 H B 0040 ILE CG1
H B 0010 GLU CB 3.539 H B 0040 ILE CG2
H B 0010 GLU CB 3.600 H B 0040 ILE CD1
H B 0010 GLU CG 3.698 H B 0040 ILE CG1
H B 0010 GLU CD 3.718 H B 0040 ILE CG1
H B 0011 LEU C 2.448 H B 0012 GLN CA
H B 0011 LEU C 2.971 H B 0012 GLN C
H B 0011 LEU C 3.734 H B 0012 GLN CB
H B 0012 GLN C 2.444 H B 0013 LEU CA
H B 0012 GLN C 3.039 H B 0013 LEU C
H B 0012 GLN C 3.745 H B 0013 LEU CB
H B 0012 GLN C 3.795 H B 0015 LYS CB
H B 0013 LEU C 2.456 H B 0014 ILE CA
H B 0013 LEU C 2.969 H B 0014 ILE C
H B 0013 LEU C 3.720 H B 0014 ILE CB
H B 0013 LEU C 3.553 H B 0017 TYR CD2
H B 0014 ILE C 2.448 H B 0015 LYS CA
H B 0014 ILE C 2.992 H B 0015 LYS C
H B 0014 ILE C 3.708 H B 0015 LYS CB
H B 0014 ILE CD1 3.210 H B 0040 ILE CD1
H B 0015 LYS C 2.449 H B 0016 GLN CA
H B 0015 LYS C 3.089 H B 0016 GLN C
H B 0015 LYS C 3.714 H B 0016 GLN CB
H B 0016 GLN C 2.462 H B 0017 TYR CA
H B 0016 GLN C 3.001 H B 0017 TYR C
H B 0016 GLN C 3.716 H B 0017 TYR CB
H B 0017 TYR C 2.433 H B 0018 ARG CA
H B 0017 TYR C 3.041 H B 0018 ARG C
H B 0017 TYR C 3.727 H B 0018 ARG CB
H B 0017 TYR CB 3.541 H B 0033 LEU CD2
H B 0018 ARG CA 3.795 H B 0019 GLU CA
H B 0018 ARG C 2.433 H B 0019 GLU CA
H B 0018 ARG C 2.906 H B 0019 GLU C
H B 0018 ARG C 3.720 H B 0019 GLU CB
H B 0019 GLU C 2.455 H B 0020 ALA CA
H B 0019 GLU C 3.360 H B 0020 ALA C
H B 0019 GLU C 3.582 H B 0020 ALA CB
H B 0020 ALA C 2.451 H B 0021 LEU CA
H B 0020 ALA C 3.206 H B 0021 LEU C
H B 0020 ALA C 3.674 H B 0021 LEU CB
H B 0021 LEU CA 3.790 H B 0022 GLU CA
H B 0021 LEU C 2.454 H B 0022 GLU CA
H B 0021 LEU C 3.034 H B 0022 GLU C
H B 0021 LEU C 3.720 H B 0022 GLU CB
H B 0021 LEU CD2 3.769 H B 0030 ALA CB
H B 0022 GLU CA 3.789 H B 0023 TYR CA
H B 0022 GLU C 2.429 H B 0023 TYR CA
H B 0022 GLU C 3.030 H B 0023 TYR C
H B 0022 GLU C 3.676 H B 0023 TYR CB
H B 0023 TYR C 2.446 C B 0024 VAL CA
H B 0023 TYR C 3.291 C B 0024 VAL C
H B 0023 TYR C 3.634 C B 0024 VAL CB
C B 0024 VAL C 2.476 C B 0025 LYS CA
C B 0024 VAL C 3.125 C B 0025 LYS C
C B 0024 VAL C 3.106 C B 0025 LYS CB
C B 0025 LYS C 2.463 H B 0026 LEU CA
C B 0025 LYS C 3.382 H B 0026 LEU C
C B 0025 LYS C 3.606 H B 0026 LEU CB
H B 0026 LEU CA 3.035 H B 0027 PRO CD
H B 0026 LEU C 2.439 H B 0027 PRO CA
H B 0026 LEU C 2.987 H B 0027 PRO C
H B 0026 LEU C 3.678 H B 0027 PRO CB
H B 0026 LEU C 3.681 H B 0027 PRO CG
H B 0026 LEU C 2.523 H B 0027 PRO CD
H B 0026 LEU CD2 3.653 H B 0028 VAL CG2
H B 0026 LEU CB 3.630 H B 0029 LEU CD1
H B 0027 PRO C 2.468 H B 0028 VAL CA
H B 0027 PRO C 2.933 H B 0028 VAL C
H B 0027 PRO C 3.760 H B 0028 VAL CB
H B 0028 VAL C 2.428 H B 0029 LEU CA
H B 0028 VAL C 2.987 H B 0029 LEU C
H B 0028 VAL C 3.708 H B 0029 LEU CB
H B 0028 VAL CG1 3.555 H B 0032 ILE CD1
H B 0029 LEU C 2.421 H B 0030 ALA CA
H B 0029 LEU C 2.969 H B 0030 ALA C
H B 0029 LEU C 3.708 H B 0030 ALA CB
H B 0030 ALA C 2.425 H B 0031 LYS CA
H B 0030 ALA C 3.051 H B 0031 LYS C
H B 0030 ALA C 3.701 H B 0031 LYS CB
H B 0030 ALA CA 3.642 H B 0033 LEU CG
H B 0030 ALA CA 3.580 H B 0033 LEU CD2
H B 0031 LYS C 2.455 H B 0032 ILE CA
H B 0031 LYS C 2.906 H B 0032 ILE C
H B 0031 LYS C 3.741 H B 0032 ILE CB
H B 0032 ILE CA 3.745 H B 0033 LEU CA
H B 0032 ILE C 2.396 H B 0033 LEU CA
H B 0032 ILE C 3.002 H B 0033 LEU C
H B 0032 ILE C 3.678 H B 0033 LEU CB
H B 0033 LEU C 2.453 H B 0034 GLU CA
H B 0033 LEU C 2.956 H B 0034 GLU C
H B 0033 LEU C 3.705 H B 0034 GLU CB
H B 0034 GLU CA 3.792 H B 0035 ASP CA
H B 0034 GLU C 2.439 H B 0035 ASP CA
H B 0034 GLU C 2.960 H B 0035 ASP C
H B 0034 GLU C 3.706 H B 0035 ASP CB
H B 0035 ASP C 2.442 H B 0036 GLU CA
H B 0035 ASP C 2.945 H B 0036 GLU C
H B 0035 ASP C 3.747 H B 0036 GLU CB
H B 0035 ASP C 3.762 H B 0039 HIS CD2
H B 0036 GLU C 2.457 H B 0037 GLU CA
H B 0036 GLU C 2.947 H B 0037 GLU C
H B 0036 GLU C 3.695 H B 0037 GLU CB
H B 0036 GLU C 3.728 H B 0040 ILE CD1
H B 0037 GLU C 2.441 H B 0038 LYS CA
H B 0037 GLU C 3.015 H B 0038 LYS C
H B 0037 GLU C 3.711 H B 0038 LYS CB
H B 0038 LYS C 2.438 H B 0039 HIS CA
H B 0038 LYS C 2.968 H B 0039 HIS C
H B 0038 LYS C 3.709 H B 0039 HIS CB
H B 0039 HIS C 2.456 H B 0040 ILE CA
H B 0039 HIS C 3.071 H B 0040 ILE C
H B 0039 HIS C 3.709 H B 0040 ILE CB
H B 0040 ILE C 2.439 H B 0041 GLU CA
H B 0040 ILE C 2.937 H B 0041 GLU C
H B 0040 ILE C 3.729 H B 0041 GLU CB
H B 0041 GLU CA 3.797 H B 0042 TRP CA
H B 0041 GLU C 2.414 H B 0042 TRP CA
H B 0041 GLU C 2.908 H B 0042 TRP C
H B 0041 GLU C 3.688 H B 0042 TRP CB
H B 0042 TRP C 2.424 H B 0043 LEU CA
H B 0042 TRP C 3.027 H B 0043 LEU C
H B 0042 TRP C 3.732 H B 0043 LEU CB
H B 0042 TRP CZ3 3.733 H B 0046 ILE CD1
H B 0042 TRP CH2 3.439 H B 0046 ILE CD1
H B 0043 LEU C 2.423 H B 0044 GLU CA
H B 0043 LEU C 3.153 H B 0044 GLU C
H B 0043 LEU C 3.689 H B 0044 GLU CB
H B 0044 GLU C 2.494 H B 0045 THR CA
H B 0044 GLU C 3.453 H B 0045 THR C
H B 0044 GLU C 3.536 H B 0045 THR CB
H B 0045 THR C 2.509 H B 0046 ILE CA
H B 0045 THR C 2.992 H B 0046 ILE C
H B 0045 THR C 3.325 H B 0046 ILE CB
H B 0045 THR C 3.137 H B 0046 ILE CG2
H B 0046 ILE C 2.458 C B 0047 LEU CA
H B 0046 ILE C 3.115 C B 0047 LEU C
H B 0046 ILE C 3.700 C B 0047 LEU CB
C B 0047 LEU C 2.447 C B 0048 GLY CA
C B 0047 LEU C 3.686 C B 0048 GLY C
CHARGE_ATTR 2.00 12.00 62
H B 0001 ASP OD1 8.527 H B 0004 ARG NH1
H B 0001 ASP OD1 8.448 H B 0004 ARG NH2
H B 0001 ASP OD2 10.65 H B 0004 ARG NH1
H B 0001 ASP OD2 10.35 H B 0004 ARG NH2
H B 0001 ASP OD1 11.76 H B 0008 LYS NZ
H B 0005 GLU OE1 11.10 H B 0004 ARG NH1
H B 0005 GLU OE1 11.36 H B 0004 ARG NH2
H B 0010 GLU OE1 8.800 H B 0039 HIS ND1
H B 0010 GLU OE1 9.364 H B 0039 HIS NE2
H B 0010 GLU OE2 8.622 H B 0039 HIS ND1
H B 0010 GLU OE2 9.520 H B 0039 HIS NE2
H B 0019 GLU OE1 10.00 H B 0015 LYS NZ
H B 0019 GLU OE1 11.23 H B 0018 ARG NH1
H B 0019 GLU OE1 10.69 H B 0018 ARG NH2
H B 0022 GLU OE1 11.64 H B 0018 ARG NH1
H B 0022 GLU OE2 10.78 H B 0018 ARG NH1
H B 0022 GLU OE1 7.756 C B 0025 LYS NZ
H B 0022 GLU OE2 9.306 C B 0025 LYS NZ
H B 0034 GLU OE1 10.36 H B 0018 ARG NH1
H B 0034 GLU OE1 11.03 H B 0018 ARG NH2
H B 0034 GLU OE2 11.95 H B 0018 ARG NH1
H B 0034 GLU OE1 5.031 H B 0031 LYS NZ
H B 0034 GLU OE2 5.190 H B 0031 LYS NZ
H B 0034 GLU OE1 11.13 H B 0038 LYS NZ
H B 0034 GLU OE2 9.225 H B 0038 LYS NZ
H B 0034 GLU OE2 10.86 H B 0039 HIS NE2
H B 0035 ASP OD1 10.95 H B 0031 LYS NZ
H B 0035 ASP OD2 9.087 H B 0031 LYS NZ
H B 0035 ASP OD1 7.838 H B 0038 LYS NZ
H B 0035 ASP OD2 8.690 H B 0038 LYS NZ
H B 0035 ASP OD1 4.781 H B 0039 HIS ND1
H B 0035 ASP OD1 2.965 H B 0039 HIS NE2
H B 0035 ASP OD2 6.951 H B 0039 HIS ND1
H B 0035 ASP OD2 5.017 H B 0039 HIS NE2
H B 0036 GLU OE1 8.053 H B 0039 HIS ND1
H B 0036 GLU OE1 7.538 H B 0039 HIS NE2
H B 0036 GLU OE2 7.904 H B 0039 HIS ND1
H B 0036 GLU OE2 6.871 H B 0039 HIS NE2
H B 0037 GLU OE1 9.958 H B 0015 LYS NZ
H B 0037 GLU OE2 9.493 H B 0015 LYS NZ
H B 0037 GLU OE1 7.723 H B 0018 ARG NH1
H B 0037 GLU OE1 6.877 H B 0018 ARG NH2
H B 0037 GLU OE2 8.594 H B 0018 ARG NH1
H B 0037 GLU OE2 7.176 H B 0018 ARG NH2
H B 0037 GLU OE1 9.556 H B 0038 LYS NZ
H B 0037 GLU OE2 9.961 H B 0038 LYS NZ
H B 0037 GLU OE1 11.39 H B 0039 HIS ND1
H B 0037 GLU OE1 11.56 H B 0039 HIS NE2
H B 0037 GLU OE2 10.56 H B 0039 HIS ND1
H B 0037 GLU OE2 11.03 H B 0039 HIS NE2
H B 0041 GLU OE1 5.437 H B 0038 LYS NZ
H B 0041 GLU OE2 6.280 H B 0038 LYS NZ
H B 0041 GLU OE1 10.01 H B 0039 HIS ND1
H B 0041 GLU OE1 10.90 H B 0039 HIS NE2
H B 0041 GLU OE2 10.35 H B 0039 HIS ND1
H B 0041 GLU OE2 11.61 H B 0039 HIS NE2
H B 0044 GLU OE1 11.28 H B 0008 LYS NZ
H B 0044 GLU OE1 10.27 H B 0015 LYS NZ
H B 0044 GLU OE2 11.27 H B 0015 LYS NZ
H B 0044 GLU OE1 10.35 H B 0018 ARG NH2
H B 0044 GLU OE2 10.62 H B 0018 ARG NH2
H B 0044 GLU OE2 10.61 H B 0038 LYS NZ
CHARGE_REPU 2.00 12.00 62
H B 0001 ASP OD1 3.502 H B 0005 GLU OE1
H B 0001 ASP OD1 4.660 H B 0005 GLU OE2
H B 0001 ASP OD2 3.104 H B 0005 GLU OE1
H B 0001 ASP OD2 4.353 H B 0005 GLU OE2
H B 0004 ARG NH1 5.105 H B 0008 LYS NZ
H B 0004 ARG NH2 7.350 H B 0008 LYS NZ
H B 0005 GLU OE1 10.95 H B 0010 GLU OE2
H B 0005 GLU OE2 10.63 H B 0010 GLU OE2
H B 0008 LYS NZ 9.952 H B 0015 LYS NZ
H B 0010 GLU OE1 10.69 H B 0035 ASP OD1
H B 0010 GLU OE2 11.38 H B 0035 ASP OD1
H B 0010 GLU OE1 4.355 H B 0036 GLU OE1
H B 0010 GLU OE1 6.393 H B 0036 GLU OE2
H B 0010 GLU OE2 5.770 H B 0036 GLU OE1
H B 0010 GLU OE2 7.432 H B 0036 GLU OE2
H B 0010 GLU OE1 10.94 H B 0037 GLU OE1
H B 0010 GLU OE1 9.192 H B 0037 GLU OE2
H B 0010 GLU OE2 10.67 H B 0037 GLU OE2
H B 0010 GLU OE1 10.17 H B 0044 GLU OE1
H B 0010 GLU OE1 11.18 H B 0044 GLU OE2
H B 0010 GLU OE2 10.89 H B 0044 GLU OE1
H B 0010 GLU OE2 11.95 H B 0044 GLU OE2
H B 0015 LYS NZ 6.117 H B 0018 ARG NH1
H B 0015 LYS NZ 4.654 H B 0018 ARG NH2
H B 0034 GLU OE1 9.415 H B 0035 ASP OD1
H B 0034 GLU OE1 8.412 H B 0035 ASP OD2
H B 0034 GLU OE2 8.094 H B 0035 ASP OD1
H B 0034 GLU OE2 7.059 H B 0035 ASP OD2
H B 0034 GLU OE1 8.436 H B 0037 GLU OE1
H B 0034 GLU OE1 10.19 H B 0037 GLU OE2
H B 0034 GLU OE2 8.516 H B 0037 GLU OE1
H B 0034 GLU OE2 10.18 H B 0037 GLU OE2
H B 0034 GLU OE1 11.71 H B 0041 GLU OE1
H B 0034 GLU OE2 10.59 H B 0041 GLU OE1
H B 0035 ASP OD1 8.127 H B 0036 GLU OE1
H B 0035 ASP OD1 7.267 H B 0036 GLU OE2
H B 0035 ASP OD2 9.373 H B 0036 GLU OE1
H B 0035 ASP OD2 8.218 H B 0036 GLU OE2
H B 0035 ASP OD1 10.51 H B 0037 GLU OE1
H B 0035 ASP OD1 10.55 H B 0037 GLU OE2
H B 0035 ASP OD2 11.35 H B 0037 GLU OE1
H B 0035 ASP OD2 11.77 H B 0037 GLU OE2
H B 0035 ASP OD1 10.55 H B 0041 GLU OE1
H B 0035 ASP OD1 11.76 H B 0041 GLU OE2
H B 0035 ASP OD2 11.79 H B 0041 GLU OE1
H B 0036 GLU OE1 11.00 H B 0037 GLU OE1
H B 0036 GLU OE1 9.981 H B 0037 GLU OE2
H B 0036 GLU OE2 11.45 H B 0037 GLU OE2
H B 0037 GLU OE1 6.145 H B 0041 GLU OE1
H B 0037 GLU OE1 7.943 H B 0041 GLU OE2
H B 0037 GLU OE2 6.175 H B 0041 GLU OE1
H B 0037 GLU OE2 7.505 H B 0041 GLU OE2
H B 0037 GLU OE1 7.146 H B 0044 GLU OE1
H B 0037 GLU OE1 6.089 H B 0044 GLU OE2
H B 0037 GLU OE2 5.334 H B 0044 GLU OE1
H B 0037 GLU OE2 4.717 H B 0044 GLU OE2
H B 0038 LYS NZ 8.177 H B 0039 HIS ND1
H B 0038 LYS NZ 8.543 H B 0039 HIS NE2
H B 0041 GLU OE1 7.533 H B 0044 GLU OE1
H B 0041 GLU OE1 5.473 H B 0044 GLU OE2
H B 0041 GLU OE2 7.329 H B 0044 GLU OE1
H B 0041 GLU OE2 5.387 H B 0044 GLU OE2
HB_MM 2.00 3.20 102
H B 0002 TYR N 2.239 H B 0001 ASP O
H B 0003 LEU N 3.047 H B 0001 ASP O
H B 0003 LEU N 2.240 H B 0002 TYR O
H B 0004 ARG N 2.908 H B 0001 ASP O
H B 0004 ARG N 2.225 H B 0003 LEU O
H B 0005 GLU N 2.859 H B 0001 ASP O
H B 0005 GLU N 3.172 H B 0002 TYR O
H B 0005 GLU N 3.036 H B 0003 LEU O
H B 0005 GLU N 2.257 H B 0004 ARG O
H B 0006 LEU N 2.866 H B 0002 TYR O
H B 0006 LEU N 2.234 H B 0005 GLU O
H B 0007 LEU N 2.796 H B 0003 LEU O
H B 0007 LEU N 2.224 H B 0006 LEU O
H B 0008 LYS N 2.232 H B 0007 LEU O
H B 0009 LEU N 2.252 H B 0008 LYS O
H B 0010 GLU N 2.243 H B 0009 LEU O
H B 0011 LEU N 2.800 H B 0007 LEU O
H B 0011 LEU N 3.097 H B 0008 LYS O
H B 0011 LEU N 2.233 H B 0010 GLU O
H B 0012 GLN N 2.253 H B 0011 LEU O
H B 0013 LEU N 2.801 H B 0010 GLU O
H B 0013 LEU N 3.024 H B 0011 LEU O
H B 0013 LEU N 2.231 H B 0012 GLN O
H B 0014 ILE N 3.077 H B 0011 LEU O
H B 0014 ILE N 2.223 H B 0013 LEU O
H B 0015 LYS N 3.005 H B 0011 LEU O
H B 0015 LYS N 3.189 H B 0013 LEU O
H B 0015 LYS N 2.238 H B 0014 ILE O
H B 0016 GLN N 2.747 H B 0012 GLN O
H B 0016 GLN N 2.910 H B 0013 LEU O
H B 0016 GLN N 2.241 H B 0015 LYS O
H B 0017 TYR N 2.661 H B 0013 LEU O
H B 0017 TYR N 2.231 H B 0016 GLN O
H B 0018 ARG N 3.167 H B 0014 ILE O
H B 0018 ARG N 3.012 H B 0015 LYS O
H B 0018 ARG N 2.241 H B 0017 TYR O
H B 0019 GLU N 2.979 H B 0015 LYS O
H B 0019 GLU N 2.249 H B 0018 ARG O
H B 0020 ALA N 2.748 H B 0016 GLN O
H B 0020 ALA N 2.245 H B 0019 GLU O
H B 0021 LEU N 2.783 H B 0017 TYR O
H B 0021 LEU N 3.017 H B 0018 ARG O
H B 0021 LEU N 2.229 H B 0020 ALA O
H B 0022 GLU N 2.248 H B 0021 LEU O
H B 0023 TYR N 2.240 H B 0022 GLU O
C B 0024 VAL N 2.863 H B 0021 LEU O
C B 0024 VAL N 2.247 H B 0023 TYR O
C B 0025 LYS N 2.851 H B 0021 LEU O
C B 0025 LYS N 2.237 C B 0024 VAL O
H B 0026 LEU N 3.101 C B 0024 VAL O
H B 0026 LEU N 2.232 C B 0025 LYS O
H B 0027 PRO N 2.242 H B 0026 LEU O
H B 0028 VAL N 3.097 H B 0026 LEU O
H B 0028 VAL N 2.254 H B 0027 PRO O
H B 0029 LEU N 2.979 H B 0026 LEU O
H B 0029 LEU N 3.051 H B 0027 PRO O
H B 0029 LEU N 2.230 H B 0028 VAL O
H B 0030 ALA N 2.957 H B 0027 PRO O
H B 0030 ALA N 2.236 H B 0029 LEU O
H B 0031 LYS N 2.843 H B 0027 PRO O
H B 0031 LYS N 3.112 H B 0028 VAL O
H B 0031 LYS N 2.223 H B 0030 ALA O
H B 0032 ILE N 2.737 H B 0028 VAL O
H B 0032 ILE N 2.249 H B 0031 LYS O
H B 0033 LEU N 2.817 H B 0029 LEU O
H B 0033 LEU N 2.260 H B 0032 ILE O
H B 0034 GLU N 2.854 H B 0030 ALA O
H B 0034 GLU N 2.243 H B 0033 LEU O
H B 0035 ASP N 3.080 H B 0032 ILE O
H B 0035 ASP N 2.252 H B 0034 GLU O
H B 0036 GLU N 2.940 H B 0032 ILE O
H B 0036 GLU N 3.168 H B 0033 LEU O
H B 0036 GLU N 2.254 H B 0035 ASP O
H B 0037 GLU N 2.751 H B 0033 LEU O
H B 0037 GLU N 3.108 H B 0034 GLU O
H B 0037 GLU N 2.234 H B 0036 GLU O
H B 0038 LYS N 3.145 H B 0034 GLU O
H B 0038 LYS N 2.980 H B 0035 ASP O
H B 0038 LYS N 2.236 H B 0037 GLU O
H B 0039 HIS N 2.991 H B 0035 ASP O
H B 0039 HIS N 2.929 H B 0036 GLU O
H B 0039 HIS N 2.239 H B 0038 LYS O
H B 0040 ILE N 2.816 H B 0036 GLU O
H B 0040 ILE N 2.240 H B 0039 HIS O
H B 0041 GLU N 2.776 H B 0037 GLU O
H B 0041 GLU N 3.005 H B 0038 LYS O
H B 0041 GLU N 2.249 H B 0040 ILE O
H B 0042 TRP N 3.007 H B 0038 LYS O
H B 0042 TRP N 3.173 H B 0040 ILE O
H B 0042 TRP N 2.245 H B 0041 GLU O
H B 0043 LEU N 2.847 H B 0040 ILE O
H B 0043 LEU N 2.240 H B 0042 TRP O
H B 0044 GLU N 3.063 H B 0040 ILE O
H B 0044 GLU N 3.002 H B 0041 GLU O
H B 0044 GLU N 2.241 H B 0043 LEU O
H B 0045 THR N 3.060 H B 0041 GLU O
H B 0045 THR N 2.248 H B 0044 GLU O
H B 0046 ILE N 2.740 H B 0042 TRP O
H B 0046 ILE N 2.260 H B 0045 THR O
C B 0047 LEU N 2.998 H B 0045 THR O
C B 0047 LEU N 2.244 H B 0046 ILE O
C B 0048 GLY N 2.239 C B 0047 LEU O
HB_MS 2.00 3.20 2
H B 0009 LEU O 2.827 H B 0012 GLN NE2
C B 0048 GLY O 2.817 H B 0042 TRP NE1
HB_SS 2.00 3.20 1
H B 0019 GLU OE1 2.822 H B 0016 GLN NE2