Complet list of 2fxp con file
Complete list of 2fxp.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 219
C A 0001 GLY CA 3.795 C A 0002 SER CA
C A 0001 GLY C 2.433 C A 0002 SER CA
C A 0001 GLY C 3.716 C A 0002 SER C
C A 0001 GLY C 3.013 C A 0002 SER CB
C A 0002 SER C 2.434 C A 0003 HIS CA
C A 0002 SER C 3.239 C A 0003 HIS C
C A 0002 SER C 3.654 C A 0003 HIS CB
C A 0003 HIS C 2.434 C A 0004 THR CA
C A 0003 HIS C 3.364 C A 0004 THR C
C A 0003 HIS C 3.585 C A 0004 THR CB
C A 0004 THR C 2.434 C A 0005 SER CA
C A 0004 THR C 3.544 C A 0005 SER C
C A 0004 THR C 3.420 C A 0005 SER CB
C A 0005 SER CA 2.912 C A 0006 PRO CD
C A 0005 SER C 2.467 C A 0006 PRO CA
C A 0005 SER C 3.176 C A 0006 PRO C
C A 0005 SER C 3.636 C A 0006 PRO CB
C A 0005 SER C 3.653 C A 0006 PRO CG
C A 0005 SER C 2.510 C A 0006 PRO CD
C A 0005 SER CB 3.669 C A 0006 PRO CD
C A 0006 PRO C 2.432 C A 0007 ASP CA
C A 0006 PRO C 3.221 C A 0007 ASP C
C A 0006 PRO C 3.660 C A 0007 ASP CB
C A 0007 ASP C 2.431 C A 0008 VAL CA
C A 0007 ASP C 3.270 C A 0008 VAL C
C A 0007 ASP C 3.662 C A 0008 VAL CB
C A 0008 VAL C 2.434 H A 0009 ASP CA
C A 0008 VAL C 3.284 H A 0009 ASP C
C A 0008 VAL C 3.630 H A 0009 ASP CB
H A 0009 ASP C 2.431 H A 0010 LEU CA
H A 0009 ASP C 3.149 H A 0010 LEU C
H A 0009 ASP C 3.683 H A 0010 LEU CB
H A 0009 ASP CB 3.607 H A 0012 ASP CB
H A 0009 ASP CB 3.783 H A 0012 ASP CG
H A 0010 LEU CA 3.789 H A 0011 GLY CA
H A 0010 LEU C 2.414 H A 0011 GLY CA
H A 0010 LEU C 3.180 H A 0011 GLY C
H A 0010 LEU CA 3.563 H A 0013 ILE CG1
H A 0010 LEU C 3.769 H A 0013 ILE CG1
H A 0011 GLY C 2.435 H A 0012 ASP CA
H A 0011 GLY C 3.379 H A 0012 ASP C
H A 0011 GLY C 3.580 H A 0012 ASP CB
H A 0011 GLY C 3.747 H A 0012 ASP CG
H A 0012 ASP C 2.435 H A 0013 ILE CA
H A 0012 ASP C 2.978 H A 0013 ILE C
H A 0012 ASP C 3.743 H A 0013 ILE CB
H A 0013 ILE C 2.429 H A 0014 SER CA
H A 0013 ILE C 3.065 H A 0014 SER C
H A 0013 ILE C 3.704 H A 0014 SER CB
H A 0014 SER CA 3.790 C A 0015 GLY CA
H A 0014 SER C 2.420 C A 0015 GLY CA
H A 0014 SER C 3.100 C A 0015 GLY C
C A 0015 GLY C 2.434 H A 0016 ILE CA
C A 0015 GLY C 3.318 H A 0016 ILE C
C A 0015 GLY C 3.645 H A 0016 ILE CB
H A 0016 ILE C 2.437 H A 0017 ASN CA
H A 0016 ILE C 2.912 H A 0017 ASN C
H A 0016 ILE C 3.713 H A 0017 ASN CB
H A 0016 ILE C 3.757 H A 0020 VAL CG2
H A 0016 ILE CD1 3.397 H A 0020 VAL CG2
H A 0017 ASN C 2.432 H A 0018 ALA CA
H A 0017 ASN C 3.012 H A 0018 ALA C
H A 0017 ASN C 3.705 H A 0018 ALA CB
H A 0018 ALA C 2.434 H A 0019 SER CA
H A 0018 ALA C 3.099 H A 0019 SER C
H A 0018 ALA C 3.703 H A 0019 SER CB
H A 0019 SER C 2.435 H A 0020 VAL CA
H A 0019 SER C 2.972 H A 0020 VAL C
H A 0019 SER C 3.740 H A 0020 VAL CB
H A 0020 VAL CA 3.799 H A 0021 VAL CA
H A 0020 VAL C 2.431 H A 0021 VAL CA
H A 0020 VAL C 3.014 H A 0021 VAL C
H A 0020 VAL C 3.735 H A 0021 VAL CB
H A 0020 VAL CA 3.531 H A 0023 ILE CG2
H A 0020 VAL C 3.436 H A 0023 ILE CG2
H A 0021 VAL C 2.436 H A 0022 ASN CA
H A 0021 VAL C 3.012 H A 0022 ASN C
H A 0021 VAL C 3.714 H A 0022 ASN CB
H A 0022 ASN C 2.432 H A 0023 ILE CA
H A 0022 ASN C 2.994 H A 0023 ILE C
H A 0022 ASN C 3.743 H A 0023 ILE CB
H A 0023 ILE CA 3.799 H A 0024 GLN CA
H A 0023 ILE C 2.430 H A 0024 GLN CA
H A 0023 ILE C 2.989 H A 0024 GLN C
H A 0023 ILE C 3.713 H A 0024 GLN CB
H A 0023 ILE C 3.733 H A 0026 GLU CB
H A 0024 GLN CA 3.800 H A 0025 LYS CA
H A 0024 GLN C 2.435 H A 0025 LYS CA
H A 0024 GLN C 3.024 H A 0025 LYS C
H A 0024 GLN C 3.712 H A 0025 LYS CB
H A 0025 LYS C 2.430 H A 0026 GLU CA
H A 0025 LYS C 3.037 H A 0026 GLU C
H A 0025 LYS C 3.709 H A 0026 GLU CB
H A 0026 GLU CA 3.795 H A 0027 ILE CA
H A 0026 GLU C 2.423 H A 0027 ILE CA
H A 0026 GLU C 2.936 H A 0027 ILE C
H A 0026 GLU C 3.744 H A 0027 ILE CB
H A 0027 ILE CA 3.791 H A 0028 ASP CA
H A 0027 ILE C 2.428 H A 0028 ASP CA
H A 0027 ILE C 2.898 H A 0028 ASP C
H A 0027 ILE C 3.715 H A 0028 ASP CB
H A 0028 ASP CA 3.789 H A 0029 ARG CA
H A 0028 ASP C 2.433 H A 0029 ARG CA
H A 0028 ASP C 3.027 H A 0029 ARG C
H A 0028 ASP C 3.714 H A 0029 ARG CB
H A 0029 ARG C 2.432 H A 0030 LEU CA
H A 0029 ARG C 3.143 H A 0030 LEU C
H A 0029 ARG C 3.699 H A 0030 LEU CB
H A 0030 LEU C 2.432 H A 0031 ASN CA
H A 0030 LEU C 2.883 H A 0031 ASN C
H A 0030 LEU C 3.714 H A 0031 ASN CB
H A 0030 LEU CA 3.591 H A 0033 VAL CB
H A 0030 LEU CA 3.484 H A 0033 VAL CG1
H A 0030 LEU C 3.673 H A 0033 VAL CB
H A 0030 LEU C 3.519 H A 0033 VAL CG1
H A 0031 ASN CA 3.786 H A 0032 GLU CA
H A 0031 ASN C 2.426 H A 0032 GLU CA
H A 0031 ASN C 3.045 H A 0032 GLU C
H A 0031 ASN C 3.703 H A 0032 GLU CB
H A 0032 GLU CA 3.797 H A 0033 VAL CA
H A 0032 GLU C 2.433 H A 0033 VAL CA
H A 0032 GLU C 2.979 H A 0033 VAL C
H A 0032 GLU C 3.754 H A 0033 VAL CB
H A 0033 VAL C 2.429 H A 0034 ALA CA
H A 0033 VAL C 3.021 H A 0034 ALA C
H A 0033 VAL C 3.712 H A 0034 ALA CB
H A 0034 ALA C 2.440 H A 0035 LYS CA
H A 0034 ALA C 2.993 H A 0035 LYS C
H A 0034 ALA C 3.723 H A 0035 LYS CB
H A 0035 LYS CA 3.799 H A 0036 ASN CA
H A 0035 LYS C 2.431 H A 0036 ASN CA
H A 0035 LYS C 2.991 H A 0036 ASN C
H A 0035 LYS C 3.716 H A 0036 ASN CB
H A 0036 ASN CA 3.784 H A 0037 LEU CA
H A 0036 ASN C 2.425 H A 0037 LEU CA
H A 0036 ASN C 2.958 H A 0037 LEU C
H A 0036 ASN C 3.712 H A 0037 LEU CB
H A 0037 LEU CA 3.795 H A 0038 ASN CA
H A 0037 LEU C 2.447 H A 0038 ASN CA
H A 0037 LEU C 2.964 H A 0038 ASN C
H A 0037 LEU C 3.714 H A 0038 ASN CB
H A 0037 LEU C 3.483 H A 0041 LEU CG
H A 0037 LEU C 3.642 H A 0041 LEU CD2
H A 0038 ASN CA 3.797 H A 0039 GLU CA
H A 0038 ASN C 2.431 H A 0039 GLU CA
H A 0038 ASN C 2.992 H A 0039 GLU C
H A 0038 ASN C 3.713 H A 0039 GLU CB
H A 0038 ASN CA 3.328 H A 0041 LEU CG
H A 0038 ASN CA 3.616 H A 0041 LEU CD1
H A 0038 ASN C 3.545 H A 0041 LEU CG
H A 0039 GLU CA 3.784 H A 0040 SER CA
H A 0039 GLU C 2.415 H A 0040 SER CA
H A 0039 GLU C 2.902 H A 0040 SER C
H A 0039 GLU C 3.698 H A 0040 SER CB
H A 0039 GLU CA 3.636 H A 0042 ILE CG2
H A 0039 GLU C 3.720 H A 0042 ILE CG1
H A 0039 GLU C 3.774 H A 0042 ILE CG2
H A 0040 SER C 2.432 H A 0041 LEU CA
H A 0040 SER C 3.076 H A 0041 LEU C
H A 0040 SER C 3.710 H A 0041 LEU CB
H A 0040 SER C 3.704 H A 0041 LEU CD2
H A 0041 LEU CA 3.794 H A 0042 ILE CA
H A 0041 LEU C 2.412 H A 0042 ILE CA
H A 0041 LEU C 2.970 H A 0042 ILE C
H A 0041 LEU C 3.747 H A 0042 ILE CB
H A 0041 LEU CA 3.490 H A 0044 LEU CG
H A 0041 LEU CA 3.492 H A 0044 LEU CD2
H A 0041 LEU C 3.471 H A 0044 LEU CG
H A 0042 ILE CA 3.791 H A 0043 ASP CA
H A 0042 ILE C 2.441 H A 0043 ASP CA
H A 0042 ILE C 2.998 H A 0043 ASP C
H A 0042 ILE C 3.725 H A 0043 ASP CB
H A 0043 ASP C 2.441 H A 0044 LEU CA
H A 0043 ASP C 2.943 H A 0044 LEU C
H A 0043 ASP C 3.731 H A 0044 LEU CB
H A 0043 ASP C 3.733 H A 0047 LEU CG
H A 0044 LEU C 2.432 H A 0045 GLN CA
H A 0044 LEU C 3.000 H A 0045 GLN C
H A 0044 LEU C 3.713 H A 0045 GLN CB
H A 0044 LEU CD1 3.573 H A 0045 GLN CA
H A 0044 LEU CA 3.759 H A 0047 LEU CB
H A 0045 GLN CA 3.799 H A 0046 GLU CA
H A 0045 GLN C 2.434 H A 0046 GLU CA
H A 0045 GLN C 3.202 H A 0046 GLU C
H A 0045 GLN C 3.670 H A 0046 GLU CB
H A 0046 GLU C 2.437 H A 0047 LEU CA
H A 0046 GLU C 2.980 H A 0047 LEU C
H A 0046 GLU C 3.719 H A 0047 LEU CB
H A 0047 LEU CA 3.790 H A 0048 GLY CA
H A 0047 LEU C 2.418 H A 0048 GLY CA
H A 0047 LEU C 3.332 H A 0048 GLY C
H A 0047 LEU CA 3.592 C A 0051 GLU CB
H A 0047 LEU C 3.617 C A 0051 GLU CB
H A 0047 LEU CD2 3.730 C A 0051 GLU CG
H A 0048 GLY C 2.435 C A 0049 LYS CA
H A 0048 GLY C 3.339 C A 0049 LYS C
H A 0048 GLY C 3.605 C A 0049 LYS CB
H A 0048 GLY CA 3.767 C A 0052 GLN CG
H A 0048 GLY C 3.436 C A 0052 GLN CG
C A 0049 LYS C 2.434 C A 0050 TYR CA
C A 0049 LYS C 3.346 C A 0050 TYR C
C A 0049 LYS C 3.598 C A 0050 TYR CB
C A 0049 LYS CD 3.773 C A 0050 TYR CB
C A 0050 TYR C 2.436 C A 0051 GLU CA
C A 0050 TYR C 2.953 C A 0051 GLU C
C A 0050 TYR C 3.714 C A 0051 GLU CB
C A 0051 GLU C 2.432 C A 0052 GLN CA
C A 0051 GLU C 3.314 C A 0052 GLN C
C A 0051 GLU C 3.620 C A 0052 GLN CB
C A 0052 GLN C 2.434 C A 0053 TYR CA
C A 0052 GLN C 2.994 C A 0053 TYR C
C A 0052 GLN C 3.716 C A 0053 TYR CB
C A 0053 TYR C 2.438 C A 0054 ILE CA
C A 0053 TYR C 3.098 C A 0054 ILE C
C A 0053 TYR C 3.736 C A 0054 ILE CB
C A 0054 ILE C 2.434 C A 0055 LYS CA
C A 0054 ILE C 3.652 C A 0055 LYS C
C A 0054 ILE C 3.250 C A 0055 LYS CB
C A 0054 ILE C 3.664 C A 0055 LYS CG
CHARGE_ATTR 2.00 12.00 27
H A 0026 GLU OE1 7.163 H A 0025 LYS NZ
H A 0026 GLU OE2 7.258 H A 0025 LYS NZ
H A 0026 GLU OE1 9.986 H A 0029 ARG NH1
H A 0026 GLU OE1 10.25 H A 0029 ARG NH2
H A 0026 GLU OE2 8.553 H A 0029 ARG NH1
H A 0026 GLU OE2 8.962 H A 0029 ARG NH2
H A 0028 ASP OD1 9.837 H A 0025 LYS NZ
H A 0028 ASP OD2 10.13 H A 0025 LYS NZ
H A 0028 ASP OD1 11.42 H A 0029 ARG NH1
H A 0028 ASP OD1 11.75 H A 0029 ARG NH2
H A 0028 ASP OD2 10.97 H A 0029 ARG NH1
H A 0028 ASP OD2 11.20 H A 0029 ARG NH2
H A 0028 ASP OD2 10.61 H A 0035 LYS NZ
H A 0032 GLU OE2 11.98 H A 0025 LYS NZ
H A 0032 GLU OE1 8.268 H A 0029 ARG NH1
H A 0032 GLU OE1 9.147 H A 0029 ARG NH2
H A 0032 GLU OE2 8.818 H A 0029 ARG NH1
H A 0032 GLU OE2 9.330 H A 0029 ARG NH2
H A 0032 GLU OE1 7.667 H A 0035 LYS NZ
H A 0032 GLU OE2 7.830 H A 0035 LYS NZ
H A 0039 GLU OE1 8.926 H A 0035 LYS NZ
H A 0039 GLU OE2 9.525 H A 0035 LYS NZ
H A 0043 ASP OD1 11.79 C A 0049 LYS NZ
H A 0046 GLU OE1 6.802 C A 0049 LYS NZ
H A 0046 GLU OE2 5.926 C A 0049 LYS NZ
C A 0051 GLU OE1 11.59 C A 0049 LYS NZ
C A 0051 GLU OE2 10.94 C A 0049 LYS NZ
CHARGE_REPU 2.00 12.00 41
C A 0007 ASP OD1 6.302 H A 0009 ASP OD1
C A 0007 ASP OD1 5.981 H A 0009 ASP OD2
C A 0007 ASP OD2 6.065 H A 0009 ASP OD1
C A 0007 ASP OD2 5.301 H A 0009 ASP OD2
C A 0007 ASP OD1 11.51 H A 0012 ASP OD1
C A 0007 ASP OD1 9.394 H A 0012 ASP OD2
C A 0007 ASP OD2 10.82 H A 0012 ASP OD1
C A 0007 ASP OD2 8.628 H A 0012 ASP OD2
H A 0009 ASP OD1 5.331 H A 0012 ASP OD1
H A 0009 ASP OD1 3.402 H A 0012 ASP OD2
H A 0009 ASP OD2 6.070 H A 0012 ASP OD1
H A 0009 ASP OD2 3.979 H A 0012 ASP OD2
H A 0025 LYS NZ 8.205 H A 0029 ARG NH1
H A 0025 LYS NZ 6.884 H A 0029 ARG NH2
H A 0026 GLU OE1 10.43 H A 0028 ASP OD1
H A 0026 GLU OE1 11.82 H A 0028 ASP OD2
H A 0026 GLU OE2 11.39 H A 0028 ASP OD1
H A 0028 ASP OD1 9.554 H A 0032 GLU OE1
H A 0028 ASP OD1 7.928 H A 0032 GLU OE2
H A 0028 ASP OD2 7.938 H A 0032 GLU OE1
H A 0028 ASP OD2 6.086 H A 0032 GLU OE2
H A 0032 GLU OE1 9.361 H A 0039 GLU OE1
H A 0032 GLU OE1 10.86 H A 0039 GLU OE2
H A 0032 GLU OE2 11.27 H A 0039 GLU OE1
H A 0039 GLU OE1 8.644 H A 0043 ASP OD1
H A 0039 GLU OE1 9.927 H A 0043 ASP OD2
H A 0039 GLU OE2 7.782 H A 0043 ASP OD1
H A 0039 GLU OE2 9.369 H A 0043 ASP OD2
H A 0039 GLU OE2 10.92 H A 0046 GLU OE1
H A 0043 ASP OD1 5.191 H A 0046 GLU OE1
H A 0043 ASP OD1 6.933 H A 0046 GLU OE2
H A 0043 ASP OD2 6.447 H A 0046 GLU OE1
H A 0043 ASP OD2 7.774 H A 0046 GLU OE2
H A 0043 ASP OD1 8.385 C A 0051 GLU OE1
H A 0043 ASP OD1 9.665 C A 0051 GLU OE2
H A 0043 ASP OD2 7.161 C A 0051 GLU OE1
H A 0043 ASP OD2 8.770 C A 0051 GLU OE2
H A 0046 GLU OE1 7.865 C A 0051 GLU OE1
H A 0046 GLU OE1 8.091 C A 0051 GLU OE2
H A 0046 GLU OE2 7.150 C A 0051 GLU OE1
H A 0046 GLU OE2 6.809 C A 0051 GLU OE2
HB_MM 2.00 3.20 109
C A 0002 SER N 2.250 C A 0001 GLY O
C A 0003 HIS N 2.250 C A 0002 SER O
C A 0004 THR N 2.251 C A 0003 HIS O
C A 0005 SER N 2.250 C A 0004 THR O
C A 0006 PRO N 2.252 C A 0005 SER O
C A 0007 ASP N 2.249 C A 0006 PRO O
C A 0008 VAL N 2.250 C A 0007 ASP O
H A 0009 ASP N 2.250 C A 0008 VAL O
H A 0010 LEU N 2.247 H A 0009 ASP O
H A 0011 GLY N 2.249 H A 0010 LEU O
H A 0012 ASP N 2.251 H A 0011 GLY O
H A 0013 ILE N 2.937 H A 0009 ASP O
H A 0013 ILE N 2.250 H A 0012 ASP O
H A 0014 SER N 3.107 H A 0012 ASP O
H A 0014 SER N 2.249 H A 0013 ILE O
C A 0015 GLY N 2.250 H A 0014 SER O
H A 0016 ILE N 3.073 H A 0014 SER O
H A 0016 ILE N 2.250 C A 0015 GLY O
H A 0017 ASN N 2.250 H A 0016 ILE O
H A 0018 ALA N 3.172 H A 0016 ILE O
H A 0018 ALA N 2.251 H A 0017 ASN O
H A 0019 SER N 2.700 H A 0016 ILE O
H A 0019 SER N 2.252 H A 0018 ALA O
H A 0020 VAL N 2.748 H A 0016 ILE O
H A 0020 VAL N 3.168 H A 0017 ASN O
H A 0020 VAL N 2.252 H A 0019 SER O
H A 0021 VAL N 2.250 H A 0020 VAL O
H A 0022 ASN N 3.171 H A 0018 ALA O
H A 0022 ASN N 3.137 H A 0019 SER O
H A 0022 ASN N 2.252 H A 0021 VAL O
H A 0023 ILE N 2.779 H A 0019 SER O
H A 0023 ILE N 2.251 H A 0022 ASN O
H A 0024 GLN N 2.957 H A 0020 VAL O
H A 0024 GLN N 2.250 H A 0023 ILE O
H A 0025 LYS N 3.007 H A 0021 VAL O
H A 0025 LYS N 2.252 H A 0024 GLN O
H A 0026 GLU N 2.889 H A 0022 ASN O
H A 0026 GLU N 3.104 H A 0023 ILE O
H A 0026 GLU N 3.163 H A 0024 GLN O
H A 0026 GLU N 2.252 H A 0025 LYS O
H A 0027 ILE N 3.082 H A 0023 ILE O
H A 0027 ILE N 2.250 H A 0026 GLU O
H A 0028 ASP N 2.253 H A 0027 ILE O
H A 0029 ARG N 3.106 H A 0025 LYS O
H A 0029 ARG N 2.759 H A 0026 GLU O
H A 0029 ARG N 3.005 H A 0027 ILE O
H A 0029 ARG N 2.258 H A 0028 ASP O
H A 0030 LEU N 3.127 H A 0026 GLU O
H A 0030 LEU N 2.666 H A 0027 ILE O
H A 0030 LEU N 2.255 H A 0029 ARG O
H A 0031 ASN N 2.574 H A 0027 ILE O
H A 0031 ASN N 2.248 H A 0030 LEU O
H A 0032 GLU N 3.056 H A 0028 ASP O
H A 0032 GLU N 3.122 H A 0030 LEU O
H A 0032 GLU N 2.254 H A 0031 ASN O
H A 0033 VAL N 3.058 H A 0029 ARG O
H A 0033 VAL N 2.663 H A 0030 LEU O
H A 0033 VAL N 2.255 H A 0032 GLU O
H A 0034 ALA N 2.672 H A 0030 LEU O
H A 0034 ALA N 2.252 H A 0033 VAL O
H A 0035 LYS N 3.181 H A 0031 ASN O
H A 0035 LYS N 2.972 H A 0032 GLU O
H A 0035 LYS N 2.255 H A 0034 ALA O
H A 0036 ASN N 2.979 H A 0032 GLU O
H A 0036 ASN N 2.251 H A 0035 LYS O
H A 0037 LEU N 2.981 H A 0033 VAL O
H A 0037 LEU N 3.141 H A 0034 ALA O
H A 0037 LEU N 2.260 H A 0036 ASN O
H A 0038 ASN N 2.565 H A 0034 ALA O
H A 0038 ASN N 3.154 H A 0035 LYS O
H A 0038 ASN N 2.259 H A 0037 LEU O
H A 0039 GLU N 2.989 H A 0035 LYS O
H A 0039 GLU N 3.056 H A 0036 ASN O
H A 0039 GLU N 3.039 H A 0037 LEU O
H A 0039 GLU N 2.251 H A 0038 ASN O
H A 0040 SER N 3.081 H A 0037 LEU O
H A 0040 SER N 2.244 H A 0039 GLU O
H A 0041 LEU N 3.146 H A 0037 LEU O
H A 0041 LEU N 3.118 H A 0038 ASN O
H A 0041 LEU N 2.917 H A 0039 GLU O
H A 0041 LEU N 2.258 H A 0040 SER O
H A 0042 ILE N 2.997 H A 0038 ASN O
H A 0042 ILE N 2.587 H A 0039 GLU O
H A 0042 ILE N 2.244 H A 0041 LEU O
H A 0043 ASP N 3.068 H A 0040 SER O
H A 0043 ASP N 2.260 H A 0042 ILE O
H A 0044 LEU N 2.256 H A 0043 ASP O
H A 0045 GLN N 3.062 H A 0041 LEU O
H A 0045 GLN N 3.004 H A 0043 ASP O
H A 0045 GLN N 2.252 H A 0044 LEU O
H A 0046 GLU N 3.127 H A 0042 ILE O
H A 0046 GLU N 2.752 H A 0043 ASP O
H A 0046 GLU N 2.251 H A 0045 GLN O
H A 0047 LEU N 2.656 H A 0043 ASP O
H A 0047 LEU N 2.253 H A 0046 GLU O
H A 0048 GLY N 3.172 H A 0044 LEU O
H A 0048 GLY N 3.183 H A 0046 GLU O
H A 0048 GLY N 2.251 H A 0047 LEU O
C A 0049 LYS N 2.918 H A 0046 GLU O
C A 0049 LYS N 2.250 H A 0048 GLY O
C A 0050 TYR N 2.248 C A 0049 LYS O
C A 0051 GLU N 2.250 C A 0050 TYR O
C A 0052 GLN N 2.990 C A 0050 TYR O
C A 0052 GLN N 2.249 C A 0051 GLU O
C A 0053 TYR N 2.658 C A 0050 TYR O
C A 0053 TYR N 2.249 C A 0052 GLN O
C A 0054 ILE N 3.042 C A 0052 GLN O
C A 0054 ILE N 2.252 C A 0053 TYR O
C A 0055 LYS N 2.249 C A 0054 ILE O
HB_MS 2.00 3.20 1
C A 0003 HIS N 2.959 C A 0002 SER OG
AROMATIC 0.00 8.00 2
C A 0049 LYS 6.372 C A 0050 TYR
C A 0055 LYS 5.458 C A 0053 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 56
C A 0004 THR CA 3.625 C B 0003 HIS CB
C A 0004 THR CB 3.794 C B 0003 HIS CB
C A 0004 THR CB 3.695 C B 0003 HIS CD2
C A 0004 THR CG2 3.555 C B 0003 HIS CB
C A 0004 THR CG2 3.411 C B 0003 HIS CG
C A 0004 THR CG2 3.621 C B 0003 HIS CD2
H A 0010 LEU CB 3.518 H B 0013 ILE CB
H A 0010 LEU CB 3.657 H B 0013 ILE CG2
H A 0010 LEU CB 3.415 H B 0013 ILE CD1
H A 0010 LEU CG 3.659 H B 0013 ILE CG2
H A 0010 LEU CD1 3.418 H B 0013 ILE CB
H A 0010 LEU CD1 3.583 H B 0013 ILE CG2
H A 0010 LEU CD2 3.249 H B 0013 ILE CG2
H A 0016 ILE CD1 3.497 H B 0016 ILE CB
H A 0016 ILE CD1 3.289 H B 0016 ILE CG1
H A 0016 ILE CD1 3.232 H B 0016 ILE CG2
H A 0016 ILE CD1 3.655 H B 0016 ILE CD1
H A 0020 VAL CG1 3.739 H B 0019 SER CB
H A 0023 ILE CG1 3.716 H B 0023 ILE CG1
H A 0027 ILE CD1 3.399 H B 0026 GLU C
H A 0027 ILE CD1 3.575 H B 0026 GLU CB
H A 0027 ILE CD1 3.103 H B 0027 ILE CA
H A 0027 ILE CD1 3.546 H B 0027 ILE CB
H A 0027 ILE CD1 3.753 H B 0027 ILE CG1
H A 0027 ILE CG1 3.727 H B 0030 LEU CG
H A 0027 ILE CG1 3.089 H B 0030 LEU CD1
H A 0030 LEU CB 3.407 H B 0030 LEU CD1
H A 0031 ASN CG 3.402 H B 0030 LEU CD2
H A 0034 ALA CB 3.353 H B 0033 VAL CG1
H A 0034 ALA CA 3.404 H B 0037 LEU CD1
H A 0034 ALA C 3.744 H B 0037 LEU CD1
H A 0034 ALA CB 3.305 H B 0037 LEU CD1
H A 0037 LEU CB 3.590 H B 0037 LEU CD1
H A 0038 ASN CA 3.400 H B 0037 LEU CD2
H A 0038 ASN CB 3.444 H B 0037 LEU CD2
H A 0038 ASN CG 3.307 H B 0037 LEU CD2
H A 0041 LEU CD1 3.360 H B 0037 LEU CA
H A 0041 LEU CD1 3.686 H B 0037 LEU C
H A 0041 LEU CD1 3.566 H B 0037 LEU CB
H A 0041 LEU CD1 3.038 H B 0037 LEU CD2
H A 0041 LEU CB 3.415 H B 0040 SER CB
H A 0041 LEU CD1 3.709 H B 0040 SER CB
H A 0041 LEU CG 3.703 H B 0041 LEU CD2
H A 0041 LEU CD1 3.413 H B 0041 LEU CD2
H A 0041 LEU CD2 2.982 H B 0041 LEU CD2
H A 0044 LEU CD2 3.307 H B 0040 SER C
H A 0044 LEU CB 3.719 H B 0044 LEU CB
H A 0044 LEU CD2 3.418 H B 0044 LEU CD2
H A 0044 LEU C 3.732 H B 0047 LEU CD1
H A 0047 LEU CB 3.789 H B 0047 LEU CD1
H A 0048 GLY CA 3.470 H B 0047 LEU CD2
C A 0052 GLN CG 3.778 C B 0051 GLU CD
C A 0052 GLN CD 3.255 C B 0051 GLU CD
C A 0054 ILE C 3.602 C B 0054 ILE CD1
C A 0054 ILE CG1 3.352 C B 0054 ILE CD1
C A 0054 ILE CD1 3.519 C B 0054 ILE CD1
CHARGE_ATTR 2.00 12.00 5
C A 0007 ASP OD1 10.59 C B 0003 HIS ND1
C A 0007 ASP OD1 11.85 C B 0003 HIS NE2
C A 0007 ASP OD2 12.00 C B 0003 HIS ND1
H A 0028 ASP OD1 11.77 H B 0029 ARG NH1
C A 0055 LYS NZ 11.39 C B 0051 GLU OE2
CHARGE_REPU 2.00 12.00 13
C A 0003 HIS ND1 10.41 C B 0003 HIS ND1
C A 0003 HIS ND1 9.890 C B 0003 HIS NE2
C A 0003 HIS NE2 11.62 C B 0003 HIS ND1
C A 0003 HIS NE2 11.18 C B 0003 HIS NE2
H A 0026 GLU OE1 11.08 H B 0026 GLU OE1
H A 0028 ASP OD1 5.818 H B 0026 GLU OE1
H A 0028 ASP OD1 4.934 H B 0026 GLU OE2
H A 0028 ASP OD2 7.859 H B 0026 GLU OE1
H A 0028 ASP OD2 6.647 H B 0026 GLU OE2
C A 0051 GLU OE1 9.549 C B 0051 GLU OE1
C A 0051 GLU OE1 11.09 C B 0051 GLU OE2
C A 0051 GLU OE2 10.25 C B 0051 GLU OE1
C A 0051 GLU OE2 11.56 C B 0051 GLU OE2
HB_SS 2.00 3.20 1
C A 0052 GLN NE2 2.920 C B 0051 GLU OE2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "C"
HYDROPHOBIC 2.00 3.80 56
C A 0003 HIS CB 3.624 C C 0004 THR CA
C A 0003 HIS CB 3.794 C C 0004 THR CB
C A 0003 HIS CB 3.554 C C 0004 THR CG2
C A 0003 HIS CG 3.410 C C 0004 THR CG2
C A 0003 HIS CD2 3.695 C C 0004 THR CB
C A 0003 HIS CD2 3.621 C C 0004 THR CG2
H A 0013 ILE CB 3.518 H C 0010 LEU CB
H A 0013 ILE CB 3.418 H C 0010 LEU CD1
H A 0013 ILE CG2 3.656 H C 0010 LEU CB
H A 0013 ILE CG2 3.659 H C 0010 LEU CG
H A 0013 ILE CG2 3.582 H C 0010 LEU CD1
H A 0013 ILE CG2 3.249 H C 0010 LEU CD2
H A 0013 ILE CD1 3.415 H C 0010 LEU CB
H A 0016 ILE CB 3.496 H C 0016 ILE CD1
H A 0016 ILE CG1 3.288 H C 0016 ILE CD1
H A 0016 ILE CG2 3.231 H C 0016 ILE CD1
H A 0016 ILE CD1 3.654 H C 0016 ILE CD1
H A 0019 SER CB 3.739 H C 0020 VAL CG1
H A 0023 ILE CG1 3.715 H C 0023 ILE CG1
H A 0026 GLU C 3.398 H C 0027 ILE CD1
H A 0026 GLU CB 3.575 H C 0027 ILE CD1
H A 0027 ILE CA 3.103 H C 0027 ILE CD1
H A 0027 ILE CB 3.545 H C 0027 ILE CD1
H A 0027 ILE CG1 3.752 H C 0027 ILE CD1
H A 0030 LEU CG 3.726 H C 0027 ILE CG1
H A 0030 LEU CD1 3.088 H C 0027 ILE CG1
H A 0030 LEU CD1 3.406 H C 0030 LEU CB
H A 0030 LEU CD2 3.401 H C 0031 ASN CG
H A 0033 VAL CG1 3.353 H C 0034 ALA CB
H A 0037 LEU CD1 3.403 H C 0034 ALA CA
H A 0037 LEU CD1 3.743 H C 0034 ALA C
H A 0037 LEU CD1 3.304 H C 0034 ALA CB
H A 0037 LEU CD1 3.589 H C 0037 LEU CB
H A 0037 LEU CD2 3.400 H C 0038 ASN CA
H A 0037 LEU CD2 3.443 H C 0038 ASN CB
H A 0037 LEU CD2 3.306 H C 0038 ASN CG
H A 0037 LEU CA 3.361 H C 0041 LEU CD1
H A 0037 LEU C 3.686 H C 0041 LEU CD1
H A 0037 LEU CB 3.566 H C 0041 LEU CD1
H A 0037 LEU CD2 3.038 H C 0041 LEU CD1
H A 0040 SER CB 3.416 H C 0041 LEU CB
H A 0040 SER CB 3.709 H C 0041 LEU CD1
H A 0040 SER C 3.308 H C 0044 LEU CD2
H A 0041 LEU CD2 3.702 H C 0041 LEU CG
H A 0041 LEU CD2 3.412 H C 0041 LEU CD1
H A 0041 LEU CD2 2.982 H C 0041 LEU CD2
H A 0044 LEU CB 3.719 H C 0044 LEU CB
H A 0044 LEU CD2 3.418 H C 0044 LEU CD2
H A 0047 LEU CD1 3.732 H C 0044 LEU C
H A 0047 LEU CD1 3.789 H C 0047 LEU CB
H A 0047 LEU CD2 3.469 H C 0048 GLY CA
C A 0051 GLU CD 3.778 C C 0052 GLN CG
C A 0051 GLU CD 3.256 C C 0052 GLN CD
C A 0054 ILE CD1 3.602 C C 0054 ILE C
C A 0054 ILE CD1 3.353 C C 0054 ILE CG1
C A 0054 ILE CD1 3.519 C C 0054 ILE CD1
CHARGE_ATTR 2.00 12.00 5
C A 0003 HIS ND1 10.59 C C 0007 ASP OD1
C A 0003 HIS ND1 12.00 C C 0007 ASP OD2
C A 0003 HIS NE2 11.85 C C 0007 ASP OD1
H A 0029 ARG NH1 11.76 H C 0028 ASP OD1
C A 0051 GLU OE2 11.39 C C 0055 LYS NZ
CHARGE_REPU 2.00 12.00 13
C A 0003 HIS ND1 10.41 C C 0003 HIS ND1
C A 0003 HIS ND1 11.62 C C 0003 HIS NE2
C A 0003 HIS NE2 9.892 C C 0003 HIS ND1
C A 0003 HIS NE2 11.18 C C 0003 HIS NE2
H A 0026 GLU OE1 11.08 H C 0026 GLU OE1
H A 0026 GLU OE1 5.816 H C 0028 ASP OD1
H A 0026 GLU OE1 7.858 H C 0028 ASP OD2
H A 0026 GLU OE2 4.933 H C 0028 ASP OD1
H A 0026 GLU OE2 6.646 H C 0028 ASP OD2
C A 0051 GLU OE1 9.549 C C 0051 GLU OE1
C A 0051 GLU OE1 10.25 C C 0051 GLU OE2
C A 0051 GLU OE2 11.09 C C 0051 GLU OE1
C A 0051 GLU OE2 11.56 C C 0051 GLU OE2
HB_SS 2.00 3.20 1
C A 0051 GLU OE2 2.920 C C 0052 GLN NE2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 220
C B 0001 GLY CA 3.796 C B 0002 SER CA
C B 0001 GLY C 2.434 C B 0002 SER CA
C B 0001 GLY C 3.716 C B 0002 SER C
C B 0001 GLY C 3.013 C B 0002 SER CB
C B 0002 SER C 2.435 C B 0003 HIS CA
C B 0002 SER C 3.240 C B 0003 HIS C
C B 0002 SER C 3.654 C B 0003 HIS CB
C B 0003 HIS C 2.433 C B 0004 THR CA
C B 0003 HIS C 3.363 C B 0004 THR C
C B 0003 HIS C 3.584 C B 0004 THR CB
C B 0004 THR C 2.433 C B 0005 SER CA
C B 0004 THR C 3.545 C B 0005 SER C
C B 0004 THR C 3.419 C B 0005 SER CB
C B 0005 SER CA 2.912 C B 0006 PRO CD
C B 0005 SER C 2.466 C B 0006 PRO CA
C B 0005 SER C 3.175 C B 0006 PRO C
C B 0005 SER C 3.636 C B 0006 PRO CB
C B 0005 SER C 3.653 C B 0006 PRO CG
C B 0005 SER C 2.509 C B 0006 PRO CD
C B 0005 SER CB 3.669 C B 0006 PRO CD
C B 0006 PRO C 2.433 C B 0007 ASP CA
C B 0006 PRO C 3.221 C B 0007 ASP C
C B 0006 PRO C 3.660 C B 0007 ASP CB
C B 0007 ASP C 2.431 C B 0008 VAL CA
C B 0007 ASP C 3.270 C B 0008 VAL C
C B 0007 ASP C 3.662 C B 0008 VAL CB
C B 0008 VAL C 2.434 H B 0009 ASP CA
C B 0008 VAL C 3.284 H B 0009 ASP C
C B 0008 VAL C 3.630 H B 0009 ASP CB
H B 0009 ASP C 2.430 H B 0010 LEU CA
H B 0009 ASP C 3.149 H B 0010 LEU C
H B 0009 ASP C 3.682 H B 0010 LEU CB
H B 0009 ASP CB 3.607 H B 0012 ASP CB
H B 0009 ASP CB 3.782 H B 0012 ASP CG
H B 0010 LEU CA 3.789 H B 0011 GLY CA
H B 0010 LEU C 2.415 H B 0011 GLY CA
H B 0010 LEU C 3.180 H B 0011 GLY C
H B 0010 LEU CA 3.563 H B 0013 ILE CG1
H B 0010 LEU C 3.770 H B 0013 ILE CG1
H B 0011 GLY C 2.435 H B 0012 ASP CA
H B 0011 GLY C 3.379 H B 0012 ASP C
H B 0011 GLY C 3.579 H B 0012 ASP CB
H B 0011 GLY C 3.747 H B 0012 ASP CG
H B 0012 ASP C 2.436 H B 0013 ILE CA
H B 0012 ASP C 2.979 H B 0013 ILE C
H B 0012 ASP C 3.744 H B 0013 ILE CB
H B 0013 ILE C 2.430 H B 0014 SER CA
H B 0013 ILE C 3.065 H B 0014 SER C
H B 0013 ILE C 3.704 H B 0014 SER CB
H B 0014 SER CA 3.789 C B 0015 GLY CA
H B 0014 SER C 2.420 C B 0015 GLY CA
H B 0014 SER C 3.100 C B 0015 GLY C
C B 0015 GLY C 2.434 H B 0016 ILE CA
C B 0015 GLY C 3.318 H B 0016 ILE C
C B 0015 GLY C 3.644 H B 0016 ILE CB
H B 0016 ILE C 2.439 H B 0017 ASN CA
H B 0016 ILE C 2.913 H B 0017 ASN C
H B 0016 ILE C 3.714 H B 0017 ASN CB
H B 0016 ILE C 3.757 H B 0020 VAL CG2
H B 0016 ILE CD1 3.398 H B 0020 VAL CG2
H B 0017 ASN C 2.432 H B 0018 ALA CA
H B 0017 ASN C 3.011 H B 0018 ALA C
H B 0017 ASN C 3.705 H B 0018 ALA CB
H B 0018 ALA C 2.435 H B 0019 SER CA
H B 0018 ALA C 3.099 H B 0019 SER C
H B 0018 ALA C 3.703 H B 0019 SER CB
H B 0019 SER C 2.435 H B 0020 VAL CA
H B 0019 SER C 2.971 H B 0020 VAL C
H B 0019 SER C 3.740 H B 0020 VAL CB
H B 0020 VAL CA 3.799 H B 0021 VAL CA
H B 0020 VAL C 2.431 H B 0021 VAL CA
H B 0020 VAL C 3.014 H B 0021 VAL C
H B 0020 VAL C 3.735 H B 0021 VAL CB
H B 0020 VAL CA 3.531 H B 0023 ILE CG2
H B 0020 VAL C 3.436 H B 0023 ILE CG2
H B 0021 VAL C 2.436 H B 0022 ASN CA
H B 0021 VAL C 3.012 H B 0022 ASN C
H B 0021 VAL C 3.714 H B 0022 ASN CB
H B 0022 ASN C 2.430 H B 0023 ILE CA
H B 0022 ASN C 2.993 H B 0023 ILE C
H B 0022 ASN C 3.742 H B 0023 ILE CB
H B 0023 ILE CA 3.800 H B 0024 GLN CA
H B 0023 ILE C 2.430 H B 0024 GLN CA
H B 0023 ILE C 2.990 H B 0024 GLN C
H B 0023 ILE C 3.713 H B 0024 GLN CB
H B 0023 ILE C 3.734 H B 0026 GLU CB
H B 0024 GLN CA 3.800 H B 0025 LYS CA
H B 0024 GLN C 2.434 H B 0025 LYS CA
H B 0024 GLN C 3.025 H B 0025 LYS C
H B 0024 GLN C 3.712 H B 0025 LYS CB
H B 0025 LYS C 2.430 H B 0026 GLU CA
H B 0025 LYS C 3.036 H B 0026 GLU C
H B 0025 LYS C 3.710 H B 0026 GLU CB
H B 0026 GLU CA 3.795 H B 0027 ILE CA
H B 0026 GLU C 2.423 H B 0027 ILE CA
H B 0026 GLU C 2.936 H B 0027 ILE C
H B 0026 GLU C 3.745 H B 0027 ILE CB
H B 0027 ILE CA 3.792 H B 0028 ASP CA
H B 0027 ILE C 2.429 H B 0028 ASP CA
H B 0027 ILE C 2.898 H B 0028 ASP C
H B 0027 ILE C 3.716 H B 0028 ASP CB
H B 0028 ASP CA 3.789 H B 0029 ARG CA
H B 0028 ASP C 2.433 H B 0029 ARG CA
H B 0028 ASP C 3.026 H B 0029 ARG C
H B 0028 ASP C 3.713 H B 0029 ARG CB
H B 0029 ARG C 2.431 H B 0030 LEU CA
H B 0029 ARG C 3.142 H B 0030 LEU C
H B 0029 ARG C 3.698 H B 0030 LEU CB
H B 0030 LEU C 2.433 H B 0031 ASN CA
H B 0030 LEU C 2.883 H B 0031 ASN C
H B 0030 LEU C 3.714 H B 0031 ASN CB
H B 0030 LEU CA 3.591 H B 0033 VAL CB
H B 0030 LEU CA 3.485 H B 0033 VAL CG1
H B 0030 LEU C 3.673 H B 0033 VAL CB
H B 0030 LEU C 3.519 H B 0033 VAL CG1
H B 0031 ASN CA 3.786 H B 0032 GLU CA
H B 0031 ASN C 2.427 H B 0032 GLU CA
H B 0031 ASN C 3.045 H B 0032 GLU C
H B 0031 ASN C 3.703 H B 0032 GLU CB
H B 0032 GLU CA 3.797 H B 0033 VAL CA
H B 0032 GLU C 2.433 H B 0033 VAL CA
H B 0032 GLU C 2.979 H B 0033 VAL C
H B 0032 GLU C 3.754 H B 0033 VAL CB
H B 0033 VAL C 2.430 H B 0034 ALA CA
H B 0033 VAL C 3.022 H B 0034 ALA C
H B 0033 VAL C 3.713 H B 0034 ALA CB
H B 0034 ALA C 2.439 H B 0035 LYS CA
H B 0034 ALA C 2.993 H B 0035 LYS C
H B 0034 ALA C 3.722 H B 0035 LYS CB
H B 0035 LYS CA 3.799 H B 0036 ASN CA
H B 0035 LYS C 2.431 H B 0036 ASN CA
H B 0035 LYS C 2.990 H B 0036 ASN C
H B 0035 LYS C 3.715 H B 0036 ASN CB
H B 0036 ASN CA 3.784 H B 0037 LEU CA
H B 0036 ASN C 2.425 H B 0037 LEU CA
H B 0036 ASN C 2.958 H B 0037 LEU C
H B 0036 ASN C 3.712 H B 0037 LEU CB
H B 0037 LEU CA 3.796 H B 0038 ASN CA
H B 0037 LEU C 2.448 H B 0038 ASN CA
H B 0037 LEU C 2.964 H B 0038 ASN C
H B 0037 LEU C 3.714 H B 0038 ASN CB
H B 0037 LEU C 3.484 H B 0041 LEU CG
H B 0037 LEU C 3.643 H B 0041 LEU CD2
H B 0038 ASN CA 3.798 H B 0039 GLU CA
H B 0038 ASN C 2.431 H B 0039 GLU CA
H B 0038 ASN C 2.991 H B 0039 GLU C
H B 0038 ASN C 3.713 H B 0039 GLU CB
H B 0038 ASN CA 3.328 H B 0041 LEU CG
H B 0038 ASN CA 3.616 H B 0041 LEU CD1
H B 0038 ASN C 3.545 H B 0041 LEU CG
H B 0039 GLU CA 3.784 H B 0040 SER CA
H B 0039 GLU C 2.416 H B 0040 SER CA
H B 0039 GLU C 2.903 H B 0040 SER C
H B 0039 GLU C 3.698 H B 0040 SER CB
H B 0039 GLU CA 3.635 H B 0042 ILE CG2
H B 0039 GLU C 3.721 H B 0042 ILE CG1
H B 0039 GLU C 3.775 H B 0042 ILE CG2
H B 0040 SER C 2.432 H B 0041 LEU CA
H B 0040 SER C 3.077 H B 0041 LEU C
H B 0040 SER C 3.710 H B 0041 LEU CB
H B 0040 SER C 3.704 H B 0041 LEU CD2
H B 0041 LEU CA 3.794 H B 0042 ILE CA
H B 0041 LEU C 2.412 H B 0042 ILE CA
H B 0041 LEU C 2.969 H B 0042 ILE C
H B 0041 LEU C 3.746 H B 0042 ILE CB
H B 0041 LEU CA 3.489 H B 0044 LEU CG
H B 0041 LEU CA 3.492 H B 0044 LEU CD2
H B 0041 LEU C 3.470 H B 0044 LEU CG
H B 0042 ILE CA 3.791 H B 0043 ASP CA
H B 0042 ILE C 2.440 H B 0043 ASP CA
H B 0042 ILE C 2.997 H B 0043 ASP C
H B 0042 ILE C 3.724 H B 0043 ASP CB
H B 0043 ASP C 2.441 H B 0044 LEU CA
H B 0043 ASP C 2.941 H B 0044 LEU C
H B 0043 ASP C 3.730 H B 0044 LEU CB
H B 0043 ASP C 3.734 H B 0047 LEU CG
H B 0044 LEU CA 3.800 H B 0045 GLN CA
H B 0044 LEU C 2.432 H B 0045 GLN CA
H B 0044 LEU C 3.001 H B 0045 GLN C
H B 0044 LEU C 3.714 H B 0045 GLN CB
H B 0044 LEU CD1 3.573 H B 0045 GLN CA
H B 0044 LEU CA 3.759 H B 0047 LEU CB
H B 0045 GLN CA 3.799 H B 0046 GLU CA
H B 0045 GLN C 2.433 H B 0046 GLU CA
H B 0045 GLN C 3.202 H B 0046 GLU C
H B 0045 GLN C 3.669 H B 0046 GLU CB
H B 0046 GLU C 2.436 H B 0047 LEU CA
H B 0046 GLU C 2.980 H B 0047 LEU C
H B 0046 GLU C 3.719 H B 0047 LEU CB
H B 0047 LEU CA 3.790 H B 0048 GLY CA
H B 0047 LEU C 2.418 H B 0048 GLY CA
H B 0047 LEU C 3.332 H B 0048 GLY C
H B 0047 LEU CA 3.593 C B 0051 GLU CB
H B 0047 LEU C 3.617 C B 0051 GLU CB
H B 0047 LEU CD2 3.730 C B 0051 GLU CG
H B 0048 GLY C 2.434 C B 0049 LYS CA
H B 0048 GLY C 3.339 C B 0049 LYS C
H B 0048 GLY C 3.604 C B 0049 LYS CB
H B 0048 GLY CA 3.767 C B 0052 GLN CG
H B 0048 GLY C 3.437 C B 0052 GLN CG
C B 0049 LYS C 2.434 C B 0050 TYR CA
C B 0049 LYS C 3.346 C B 0050 TYR C
C B 0049 LYS C 3.598 C B 0050 TYR CB
C B 0049 LYS CD 3.772 C B 0050 TYR CB
C B 0050 TYR C 2.437 C B 0051 GLU CA
C B 0050 TYR C 2.953 C B 0051 GLU C
C B 0050 TYR C 3.714 C B 0051 GLU CB
C B 0051 GLU C 2.432 C B 0052 GLN CA
C B 0051 GLU C 3.314 C B 0052 GLN C
C B 0051 GLU C 3.620 C B 0052 GLN CB
C B 0052 GLN C 2.435 C B 0053 TYR CA
C B 0052 GLN C 2.994 C B 0053 TYR C
C B 0052 GLN C 3.716 C B 0053 TYR CB
C B 0053 TYR C 2.437 C B 0054 ILE CA
C B 0053 TYR C 3.098 C B 0054 ILE C
C B 0053 TYR C 3.735 C B 0054 ILE CB
C B 0054 ILE C 2.433 C B 0055 LYS CA
C B 0054 ILE C 3.651 C B 0055 LYS C
C B 0054 ILE C 3.249 C B 0055 LYS CB
C B 0054 ILE C 3.663 C B 0055 LYS CG
CHARGE_ATTR 2.00 12.00 27
H B 0026 GLU OE1 7.162 H B 0025 LYS NZ
H B 0026 GLU OE2 7.258 H B 0025 LYS NZ
H B 0026 GLU OE1 9.985 H B 0029 ARG NH1
H B 0026 GLU OE1 10.25 H B 0029 ARG NH2
H B 0026 GLU OE2 8.553 H B 0029 ARG NH1
H B 0026 GLU OE2 8.961 H B 0029 ARG NH2
H B 0028 ASP OD1 9.837 H B 0025 LYS NZ
H B 0028 ASP OD2 10.12 H B 0025 LYS NZ
H B 0028 ASP OD1 11.42 H B 0029 ARG NH1
H B 0028 ASP OD1 11.75 H B 0029 ARG NH2
H B 0028 ASP OD2 10.97 H B 0029 ARG NH1
H B 0028 ASP OD2 11.20 H B 0029 ARG NH2
H B 0028 ASP OD2 10.61 H B 0035 LYS NZ
H B 0032 GLU OE2 11.98 H B 0025 LYS NZ
H B 0032 GLU OE1 8.269 H B 0029 ARG NH1
H B 0032 GLU OE1 9.147 H B 0029 ARG NH2
H B 0032 GLU OE2 8.818 H B 0029 ARG NH1
H B 0032 GLU OE2 9.329 H B 0029 ARG NH2
H B 0032 GLU OE1 7.667 H B 0035 LYS NZ
H B 0032 GLU OE2 7.831 H B 0035 LYS NZ
H B 0039 GLU OE1 8.926 H B 0035 LYS NZ
H B 0039 GLU OE2 9.525 H B 0035 LYS NZ
H B 0043 ASP OD1 11.79 C B 0049 LYS NZ
H B 0046 GLU OE1 6.802 C B 0049 LYS NZ
H B 0046 GLU OE2 5.925 C B 0049 LYS NZ
C B 0051 GLU OE1 11.59 C B 0049 LYS NZ
C B 0051 GLU OE2 10.94 C B 0049 LYS NZ
CHARGE_REPU 2.00 12.00 41
C B 0007 ASP OD1 6.302 H B 0009 ASP OD1
C B 0007 ASP OD1 5.981 H B 0009 ASP OD2
C B 0007 ASP OD2 6.065 H B 0009 ASP OD1
C B 0007 ASP OD2 5.300 H B 0009 ASP OD2
C B 0007 ASP OD1 11.51 H B 0012 ASP OD1
C B 0007 ASP OD1 9.394 H B 0012 ASP OD2
C B 0007 ASP OD2 10.82 H B 0012 ASP OD1
C B 0007 ASP OD2 8.628 H B 0012 ASP OD2
H B 0009 ASP OD1 5.330 H B 0012 ASP OD1
H B 0009 ASP OD1 3.402 H B 0012 ASP OD2
H B 0009 ASP OD2 6.070 H B 0012 ASP OD1
H B 0009 ASP OD2 3.980 H B 0012 ASP OD2
H B 0025 LYS NZ 8.205 H B 0029 ARG NH1
H B 0025 LYS NZ 6.885 H B 0029 ARG NH2
H B 0026 GLU OE1 10.43 H B 0028 ASP OD1
H B 0026 GLU OE1 11.82 H B 0028 ASP OD2
H B 0026 GLU OE2 11.39 H B 0028 ASP OD1
H B 0028 ASP OD1 9.554 H B 0032 GLU OE1
H B 0028 ASP OD1 7.929 H B 0032 GLU OE2
H B 0028 ASP OD2 7.939 H B 0032 GLU OE1
H B 0028 ASP OD2 6.087 H B 0032 GLU OE2
H B 0032 GLU OE1 9.361 H B 0039 GLU OE1
H B 0032 GLU OE1 10.86 H B 0039 GLU OE2
H B 0032 GLU OE2 11.27 H B 0039 GLU OE1
H B 0039 GLU OE1 8.644 H B 0043 ASP OD1
H B 0039 GLU OE1 9.927 H B 0043 ASP OD2
H B 0039 GLU OE2 7.781 H B 0043 ASP OD1
H B 0039 GLU OE2 9.369 H B 0043 ASP OD2
H B 0039 GLU OE2 10.91 H B 0046 GLU OE1
H B 0043 ASP OD1 5.191 H B 0046 GLU OE1
H B 0043 ASP OD1 6.934 H B 0046 GLU OE2
H B 0043 ASP OD2 6.447 H B 0046 GLU OE1
H B 0043 ASP OD2 7.774 H B 0046 GLU OE2
H B 0043 ASP OD1 8.385 C B 0051 GLU OE1
H B 0043 ASP OD1 9.665 C B 0051 GLU OE2
H B 0043 ASP OD2 7.160 C B 0051 GLU OE1
H B 0043 ASP OD2 8.770 C B 0051 GLU OE2
H B 0046 GLU OE1 7.865 C B 0051 GLU OE1
H B 0046 GLU OE1 8.090 C B 0051 GLU OE2
H B 0046 GLU OE2 7.150 C B 0051 GLU OE1
H B 0046 GLU OE2 6.809 C B 0051 GLU OE2
HB_MM 2.00 3.20 109
C B 0002 SER N 2.250 C B 0001 GLY O
C B 0003 HIS N 2.250 C B 0002 SER O
C B 0004 THR N 2.250 C B 0003 HIS O
C B 0005 SER N 2.250 C B 0004 THR O
C B 0006 PRO N 2.252 C B 0005 SER O
C B 0007 ASP N 2.249 C B 0006 PRO O
C B 0008 VAL N 2.250 C B 0007 ASP O
H B 0009 ASP N 2.249 C B 0008 VAL O
H B 0010 LEU N 2.247 H B 0009 ASP O
H B 0011 GLY N 2.248 H B 0010 LEU O
H B 0012 ASP N 2.251 H B 0011 GLY O
H B 0013 ILE N 2.938 H B 0009 ASP O
H B 0013 ILE N 2.251 H B 0012 ASP O
H B 0014 SER N 3.107 H B 0012 ASP O
H B 0014 SER N 2.249 H B 0013 ILE O
C B 0015 GLY N 2.250 H B 0014 SER O
H B 0016 ILE N 3.074 H B 0014 SER O
H B 0016 ILE N 2.250 C B 0015 GLY O
H B 0017 ASN N 2.250 H B 0016 ILE O
H B 0018 ALA N 3.172 H B 0016 ILE O
H B 0018 ALA N 2.251 H B 0017 ASN O
H B 0019 SER N 2.701 H B 0016 ILE O
H B 0019 SER N 2.251 H B 0018 ALA O
H B 0020 VAL N 2.749 H B 0016 ILE O
H B 0020 VAL N 3.168 H B 0017 ASN O
H B 0020 VAL N 2.251 H B 0019 SER O
H B 0021 VAL N 2.250 H B 0020 VAL O
H B 0022 ASN N 3.171 H B 0018 ALA O
H B 0022 ASN N 3.137 H B 0019 SER O
H B 0022 ASN N 2.251 H B 0021 VAL O
H B 0023 ILE N 2.779 H B 0019 SER O
H B 0023 ILE N 2.250 H B 0022 ASN O
H B 0024 GLN N 2.957 H B 0020 VAL O
H B 0024 GLN N 2.251 H B 0023 ILE O
H B 0025 LYS N 3.007 H B 0021 VAL O
H B 0025 LYS N 2.252 H B 0024 GLN O
H B 0026 GLU N 2.889 H B 0022 ASN O
H B 0026 GLU N 3.105 H B 0023 ILE O
H B 0026 GLU N 3.164 H B 0024 GLN O
H B 0026 GLU N 2.252 H B 0025 LYS O
H B 0027 ILE N 3.082 H B 0023 ILE O
H B 0027 ILE N 2.250 H B 0026 GLU O
H B 0028 ASP N 2.252 H B 0027 ILE O
H B 0029 ARG N 3.105 H B 0025 LYS O
H B 0029 ARG N 2.758 H B 0026 GLU O
H B 0029 ARG N 3.004 H B 0027 ILE O
H B 0029 ARG N 2.258 H B 0028 ASP O
H B 0030 LEU N 3.127 H B 0026 GLU O
H B 0030 LEU N 2.667 H B 0027 ILE O
H B 0030 LEU N 2.254 H B 0029 ARG O
H B 0031 ASN N 2.575 H B 0027 ILE O
H B 0031 ASN N 2.248 H B 0030 LEU O
H B 0032 GLU N 3.056 H B 0028 ASP O
H B 0032 GLU N 3.123 H B 0030 LEU O
H B 0032 GLU N 2.253 H B 0031 ASN O
H B 0033 VAL N 3.057 H B 0029 ARG O
H B 0033 VAL N 2.664 H B 0030 LEU O
H B 0033 VAL N 2.256 H B 0032 GLU O
H B 0034 ALA N 2.672 H B 0030 LEU O
H B 0034 ALA N 2.251 H B 0033 VAL O
H B 0035 LYS N 3.181 H B 0031 ASN O
H B 0035 LYS N 2.972 H B 0032 GLU O
H B 0035 LYS N 2.255 H B 0034 ALA O
H B 0036 ASN N 2.978 H B 0032 GLU O
H B 0036 ASN N 2.251 H B 0035 LYS O
H B 0037 LEU N 2.982 H B 0033 VAL O
H B 0037 LEU N 3.141 H B 0034 ALA O
H B 0037 LEU N 2.260 H B 0036 ASN O
H B 0038 ASN N 2.566 H B 0034 ALA O
H B 0038 ASN N 3.153 H B 0035 LYS O
H B 0038 ASN N 2.259 H B 0037 LEU O
H B 0039 GLU N 2.988 H B 0035 LYS O
H B 0039 GLU N 3.056 H B 0036 ASN O
H B 0039 GLU N 3.040 H B 0037 LEU O
H B 0039 GLU N 2.252 H B 0038 ASN O
H B 0040 SER N 3.083 H B 0037 LEU O
H B 0040 SER N 2.244 H B 0039 GLU O
H B 0041 LEU N 3.146 H B 0037 LEU O
H B 0041 LEU N 3.118 H B 0038 ASN O
H B 0041 LEU N 2.917 H B 0039 GLU O
H B 0041 LEU N 2.258 H B 0040 SER O
H B 0042 ILE N 2.997 H B 0038 ASN O
H B 0042 ILE N 2.588 H B 0039 GLU O
H B 0042 ILE N 2.244 H B 0041 LEU O
H B 0043 ASP N 3.068 H B 0040 SER O
H B 0043 ASP N 2.261 H B 0042 ILE O
H B 0044 LEU N 2.256 H B 0043 ASP O
H B 0045 GLN N 3.062 H B 0041 LEU O
H B 0045 GLN N 3.005 H B 0043 ASP O
H B 0045 GLN N 2.251 H B 0044 LEU O
H B 0046 GLU N 3.127 H B 0042 ILE O
H B 0046 GLU N 2.751 H B 0043 ASP O
H B 0046 GLU N 2.252 H B 0045 GLN O
H B 0047 LEU N 2.657 H B 0043 ASP O
H B 0047 LEU N 2.253 H B 0046 GLU O
H B 0048 GLY N 3.172 H B 0044 LEU O
H B 0048 GLY N 3.184 H B 0046 GLU O
H B 0048 GLY N 2.251 H B 0047 LEU O
C B 0049 LYS N 2.917 H B 0046 GLU O
C B 0049 LYS N 2.250 H B 0048 GLY O
C B 0050 TYR N 2.247 C B 0049 LYS O
C B 0051 GLU N 2.250 C B 0050 TYR O
C B 0052 GLN N 2.990 C B 0050 TYR O
C B 0052 GLN N 2.249 C B 0051 GLU O
C B 0053 TYR N 2.658 C B 0050 TYR O
C B 0053 TYR N 2.250 C B 0052 GLN O
C B 0054 ILE N 3.043 C B 0052 GLN O
C B 0054 ILE N 2.251 C B 0053 TYR O
C B 0055 LYS N 2.249 C B 0054 ILE O
HB_MS 2.00 3.20 1
C B 0003 HIS N 2.958 C B 0002 SER OG
AROMATIC 0.00 8.00 2
C B 0049 LYS 6.371 C B 0050 TYR
C B 0055 LYS 5.459 C B 0053 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "C"
HYDROPHOBIC 2.00 3.80 56
C B 0004 THR CA 3.625 C C 0003 HIS CB
C B 0004 THR CB 3.794 C C 0003 HIS CB
C B 0004 THR CB 3.695 C C 0003 HIS CD2
C B 0004 THR CG2 3.555 C C 0003 HIS CB
C B 0004 THR CG2 3.411 C C 0003 HIS CG
C B 0004 THR CG2 3.621 C C 0003 HIS CD2
H B 0010 LEU CB 3.518 H C 0013 ILE CB
H B 0010 LEU CB 3.657 H C 0013 ILE CG2
H B 0010 LEU CB 3.414 H C 0013 ILE CD1
H B 0010 LEU CG 3.660 H C 0013 ILE CG2
H B 0010 LEU CD1 3.418 H C 0013 ILE CB
H B 0010 LEU CD1 3.583 H C 0013 ILE CG2
H B 0010 LEU CD2 3.250 H C 0013 ILE CG2
H B 0016 ILE CD1 3.497 H C 0016 ILE CB
H B 0016 ILE CD1 3.288 H C 0016 ILE CG1
H B 0016 ILE CD1 3.232 H C 0016 ILE CG2
H B 0016 ILE CD1 3.655 H C 0016 ILE CD1
H B 0020 VAL CG1 3.740 H C 0019 SER CB
H B 0023 ILE CG1 3.715 H C 0023 ILE CG1
H B 0027 ILE CD1 3.399 H C 0026 GLU C
H B 0027 ILE CD1 3.575 H C 0026 GLU CB
H B 0027 ILE CD1 3.104 H C 0027 ILE CA
H B 0027 ILE CD1 3.545 H C 0027 ILE CB
H B 0027 ILE CD1 3.753 H C 0027 ILE CG1
H B 0027 ILE CG1 3.726 H C 0030 LEU CG
H B 0027 ILE CG1 3.088 H C 0030 LEU CD1
H B 0030 LEU CB 3.406 H C 0030 LEU CD1
H B 0031 ASN CG 3.401 H C 0030 LEU CD2
H B 0034 ALA CB 3.352 H C 0033 VAL CG1
H B 0034 ALA CA 3.403 H C 0037 LEU CD1
H B 0034 ALA C 3.744 H C 0037 LEU CD1
H B 0034 ALA CB 3.304 H C 0037 LEU CD1
H B 0037 LEU CB 3.589 H C 0037 LEU CD1
H B 0038 ASN CA 3.400 H C 0037 LEU CD2
H B 0038 ASN CB 3.443 H C 0037 LEU CD2
H B 0038 ASN CG 3.306 H C 0037 LEU CD2
H B 0041 LEU CD1 3.361 H C 0037 LEU CA
H B 0041 LEU CD1 3.686 H C 0037 LEU C
H B 0041 LEU CD1 3.567 H C 0037 LEU CB
H B 0041 LEU CD1 3.039 H C 0037 LEU CD2
H B 0041 LEU CB 3.415 H C 0040 SER CB
H B 0041 LEU CD1 3.710 H C 0040 SER CB
H B 0041 LEU CG 3.703 H C 0041 LEU CD2
H B 0041 LEU CD1 3.412 H C 0041 LEU CD2
H B 0041 LEU CD2 2.982 H C 0041 LEU CD2
H B 0044 LEU CD2 3.308 H C 0040 SER C
H B 0044 LEU CB 3.719 H C 0044 LEU CB
H B 0044 LEU CD2 3.418 H C 0044 LEU CD2
H B 0044 LEU C 3.732 H C 0047 LEU CD1
H B 0047 LEU CB 3.788 H C 0047 LEU CD1
H B 0048 GLY CA 3.469 H C 0047 LEU CD2
C B 0052 GLN CG 3.779 C C 0051 GLU CD
C B 0052 GLN CD 3.256 C C 0051 GLU CD
C B 0054 ILE C 3.602 C C 0054 ILE CD1
C B 0054 ILE CG1 3.352 C C 0054 ILE CD1
C B 0054 ILE CD1 3.518 C C 0054 ILE CD1
CHARGE_ATTR 2.00 12.00 5
C B 0007 ASP OD1 10.59 C C 0003 HIS ND1
C B 0007 ASP OD1 11.85 C C 0003 HIS NE2
C B 0007 ASP OD2 12.00 C C 0003 HIS ND1
H B 0028 ASP OD1 11.77 H C 0029 ARG NH1
C B 0055 LYS NZ 11.39 C C 0051 GLU OE2
CHARGE_REPU 2.00 12.00 13
C B 0003 HIS ND1 10.41 C C 0003 HIS ND1
C B 0003 HIS ND1 9.891 C C 0003 HIS NE2
C B 0003 HIS NE2 11.62 C C 0003 HIS ND1
C B 0003 HIS NE2 11.18 C C 0003 HIS NE2
H B 0026 GLU OE1 11.08 H C 0026 GLU OE1
H B 0028 ASP OD1 5.817 H C 0026 GLU OE1
H B 0028 ASP OD1 4.933 H C 0026 GLU OE2
H B 0028 ASP OD2 7.859 H C 0026 GLU OE1
H B 0028 ASP OD2 6.646 H C 0026 GLU OE2
C B 0051 GLU OE1 9.549 C C 0051 GLU OE1
C B 0051 GLU OE1 11.09 C C 0051 GLU OE2
C B 0051 GLU OE2 10.25 C C 0051 GLU OE1
C B 0051 GLU OE2 11.56 C C 0051 GLU OE2
HB_SS 2.00 3.20 1
C B 0052 GLN NE2 2.920 C C 0051 GLU OE2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "C"
AND
CHAIN(S) "C"
HYDROPHOBIC 2.00 3.80 219
C C 0001 GLY CA 3.797 C C 0002 SER CA
C C 0001 GLY C 2.433 C C 0002 SER CA
C C 0001 GLY C 3.715 C C 0002 SER C
C C 0001 GLY C 3.012 C C 0002 SER CB
C C 0002 SER C 2.435 C C 0003 HIS CA
C C 0002 SER C 3.241 C C 0003 HIS C
C C 0002 SER C 3.654 C C 0003 HIS CB
C C 0003 HIS C 2.434 C C 0004 THR CA
C C 0003 HIS C 3.364 C C 0004 THR C
C C 0003 HIS C 3.586 C C 0004 THR CB
C C 0004 THR C 2.433 C C 0005 SER CA
C C 0004 THR C 3.544 C C 0005 SER C
C C 0004 THR C 3.420 C C 0005 SER CB
C C 0005 SER CA 2.913 C C 0006 PRO CD
C C 0005 SER C 2.467 C C 0006 PRO CA
C C 0005 SER C 3.176 C C 0006 PRO C
C C 0005 SER C 3.636 C C 0006 PRO CB
C C 0005 SER C 3.653 C C 0006 PRO CG
C C 0005 SER C 2.509 C C 0006 PRO CD
C C 0005 SER CB 3.668 C C 0006 PRO CD
C C 0006 PRO C 2.432 C C 0007 ASP CA
C C 0006 PRO C 3.221 C C 0007 ASP C
C C 0006 PRO C 3.659 C C 0007 ASP CB
C C 0007 ASP C 2.430 C C 0008 VAL CA
C C 0007 ASP C 3.270 C C 0008 VAL C
C C 0007 ASP C 3.662 C C 0008 VAL CB
C C 0008 VAL C 2.434 H C 0009 ASP CA
C C 0008 VAL C 3.284 H C 0009 ASP C
C C 0008 VAL C 3.630 H C 0009 ASP CB
H C 0009 ASP C 2.431 H C 0010 LEU CA
H C 0009 ASP C 3.150 H C 0010 LEU C
H C 0009 ASP C 3.683 H C 0010 LEU CB
H C 0009 ASP CB 3.608 H C 0012 ASP CB
H C 0009 ASP CB 3.782 H C 0012 ASP CG
H C 0010 LEU CA 3.789 H C 0011 GLY CA
H C 0010 LEU C 2.414 H C 0011 GLY CA
H C 0010 LEU C 3.179 H C 0011 GLY C
H C 0010 LEU CA 3.563 H C 0013 ILE CG1
H C 0010 LEU C 3.770 H C 0013 ILE CG1
H C 0011 GLY C 2.436 H C 0012 ASP CA
H C 0011 GLY C 3.379 H C 0012 ASP C
H C 0011 GLY C 3.580 H C 0012 ASP CB
H C 0011 GLY C 3.748 H C 0012 ASP CG
H C 0012 ASP C 2.435 H C 0013 ILE CA
H C 0012 ASP C 2.978 H C 0013 ILE C
H C 0012 ASP C 3.743 H C 0013 ILE CB
H C 0013 ILE CA 3.800 H C 0014 SER CA
H C 0013 ILE C 2.430 H C 0014 SER CA
H C 0013 ILE C 3.065 H C 0014 SER C
H C 0013 ILE C 3.704 H C 0014 SER CB
H C 0014 SER CA 3.789 C C 0015 GLY CA
H C 0014 SER C 2.419 C C 0015 GLY CA
H C 0014 SER C 3.099 C C 0015 GLY C
C C 0015 GLY C 2.434 H C 0016 ILE CA
C C 0015 GLY C 3.318 H C 0016 ILE C
C C 0015 GLY C 3.645 H C 0016 ILE CB
H C 0016 ILE C 2.437 H C 0017 ASN CA
H C 0016 ILE C 2.913 H C 0017 ASN C
H C 0016 ILE C 3.714 H C 0017 ASN CB
H C 0016 ILE C 3.758 H C 0020 VAL CG2
H C 0016 ILE CD1 3.397 H C 0020 VAL CG2
H C 0017 ASN C 2.431 H C 0018 ALA CA
H C 0017 ASN C 3.012 H C 0018 ALA C
H C 0017 ASN C 3.704 H C 0018 ALA CB
H C 0018 ALA C 2.435 H C 0019 SER CA
H C 0018 ALA C 3.099 H C 0019 SER C
H C 0018 ALA C 3.703 H C 0019 SER CB
H C 0019 SER C 2.435 H C 0020 VAL CA
H C 0019 SER C 2.972 H C 0020 VAL C
H C 0019 SER C 3.740 H C 0020 VAL CB
H C 0020 VAL CA 3.799 H C 0021 VAL CA
H C 0020 VAL C 2.430 H C 0021 VAL CA
H C 0020 VAL C 3.013 H C 0021 VAL C
H C 0020 VAL C 3.735 H C 0021 VAL CB
H C 0020 VAL CA 3.532 H C 0023 ILE CG2
H C 0020 VAL C 3.436 H C 0023 ILE CG2
H C 0021 VAL C 2.436 H C 0022 ASN CA
H C 0021 VAL C 3.012 H C 0022 ASN C
H C 0021 VAL C 3.714 H C 0022 ASN CB
H C 0022 ASN C 2.431 H C 0023 ILE CA
H C 0022 ASN C 2.994 H C 0023 ILE C
H C 0022 ASN C 3.742 H C 0023 ILE CB
H C 0023 ILE C 2.431 H C 0024 GLN CA
H C 0023 ILE C 2.991 H C 0024 GLN C
H C 0023 ILE C 3.714 H C 0024 GLN CB
H C 0023 ILE C 3.733 H C 0026 GLU CB
H C 0024 GLN CA 3.799 H C 0025 LYS CA
H C 0024 GLN C 2.433 H C 0025 LYS CA
H C 0024 GLN C 3.025 H C 0025 LYS C
H C 0024 GLN C 3.712 H C 0025 LYS CB
H C 0025 LYS C 2.430 H C 0026 GLU CA
H C 0025 LYS C 3.036 H C 0026 GLU C
H C 0025 LYS C 3.709 H C 0026 GLU CB
H C 0026 GLU CA 3.795 H C 0027 ILE CA
H C 0026 GLU C 2.423 H C 0027 ILE CA
H C 0026 GLU C 2.937 H C 0027 ILE C
H C 0026 GLU C 3.744 H C 0027 ILE CB
H C 0027 ILE CA 3.791 H C 0028 ASP CA
H C 0027 ILE C 2.428 H C 0028 ASP CA
H C 0027 ILE C 2.898 H C 0028 ASP C
H C 0027 ILE C 3.715 H C 0028 ASP CB
H C 0028 ASP CA 3.789 H C 0029 ARG CA
H C 0028 ASP C 2.433 H C 0029 ARG CA
H C 0028 ASP C 3.026 H C 0029 ARG C
H C 0028 ASP C 3.713 H C 0029 ARG CB
H C 0029 ARG C 2.432 H C 0030 LEU CA
H C 0029 ARG C 3.142 H C 0030 LEU C
H C 0029 ARG C 3.699 H C 0030 LEU CB
H C 0030 LEU C 2.433 H C 0031 ASN CA
H C 0030 LEU C 2.883 H C 0031 ASN C
H C 0030 LEU C 3.715 H C 0031 ASN CB
H C 0030 LEU CA 3.589 H C 0033 VAL CB
H C 0030 LEU CA 3.484 H C 0033 VAL CG1
H C 0030 LEU C 3.672 H C 0033 VAL CB
H C 0030 LEU C 3.519 H C 0033 VAL CG1
H C 0031 ASN CA 3.786 H C 0032 GLU CA
H C 0031 ASN C 2.426 H C 0032 GLU CA
H C 0031 ASN C 3.044 H C 0032 GLU C
H C 0031 ASN C 3.703 H C 0032 GLU CB
H C 0032 GLU CA 3.796 H C 0033 VAL CA
H C 0032 GLU C 2.432 H C 0033 VAL CA
H C 0032 GLU C 2.980 H C 0033 VAL C
H C 0032 GLU C 3.754 H C 0033 VAL CB
H C 0033 VAL C 2.430 H C 0034 ALA CA
H C 0033 VAL C 3.022 H C 0034 ALA C
H C 0033 VAL C 3.712 H C 0034 ALA CB
H C 0034 ALA C 2.440 H C 0035 LYS CA
H C 0034 ALA C 2.993 H C 0035 LYS C
H C 0034 ALA C 3.723 H C 0035 LYS CB
H C 0035 LYS CA 3.798 H C 0036 ASN CA
H C 0035 LYS C 2.431 H C 0036 ASN CA
H C 0035 LYS C 2.990 H C 0036 ASN C
H C 0035 LYS C 3.715 H C 0036 ASN CB
H C 0036 ASN CA 3.783 H C 0037 LEU CA
H C 0036 ASN C 2.424 H C 0037 LEU CA
H C 0036 ASN C 2.958 H C 0037 LEU C
H C 0036 ASN C 3.712 H C 0037 LEU CB
H C 0037 LEU CA 3.796 H C 0038 ASN CA
H C 0037 LEU C 2.447 H C 0038 ASN CA
H C 0037 LEU C 2.965 H C 0038 ASN C
H C 0037 LEU C 3.714 H C 0038 ASN CB
H C 0037 LEU C 3.483 H C 0041 LEU CG
H C 0037 LEU C 3.642 H C 0041 LEU CD2
H C 0038 ASN CA 3.797 H C 0039 GLU CA
H C 0038 ASN C 2.431 H C 0039 GLU CA
H C 0038 ASN C 2.991 H C 0039 GLU C
H C 0038 ASN C 3.712 H C 0039 GLU CB
H C 0038 ASN CA 3.328 H C 0041 LEU CG
H C 0038 ASN CA 3.616 H C 0041 LEU CD1
H C 0038 ASN C 3.546 H C 0041 LEU CG
H C 0039 GLU CA 3.785 H C 0040 SER CA
H C 0039 GLU C 2.416 H C 0040 SER CA
H C 0039 GLU C 2.903 H C 0040 SER C
H C 0039 GLU C 3.698 H C 0040 SER CB
H C 0039 GLU CA 3.636 H C 0042 ILE CG2
H C 0039 GLU C 3.719 H C 0042 ILE CG1
H C 0039 GLU C 3.774 H C 0042 ILE CG2
H C 0040 SER C 2.431 H C 0041 LEU CA
H C 0040 SER C 3.076 H C 0041 LEU C
H C 0040 SER C 3.709 H C 0041 LEU CB
H C 0040 SER C 3.703 H C 0041 LEU CD2
H C 0041 LEU CA 3.795 H C 0042 ILE CA
H C 0041 LEU C 2.413 H C 0042 ILE CA
H C 0041 LEU C 2.970 H C 0042 ILE C
H C 0041 LEU C 3.747 H C 0042 ILE CB
H C 0041 LEU CA 3.489 H C 0044 LEU CG
H C 0041 LEU CA 3.492 H C 0044 LEU CD2
H C 0041 LEU C 3.470 H C 0044 LEU CG
H C 0042 ILE CA 3.791 H C 0043 ASP CA
H C 0042 ILE C 2.441 H C 0043 ASP CA
H C 0042 ILE C 2.997 H C 0043 ASP C
H C 0042 ILE C 3.724 H C 0043 ASP CB
H C 0043 ASP C 2.441 H C 0044 LEU CA
H C 0043 ASP C 2.942 H C 0044 LEU C
H C 0043 ASP C 3.731 H C 0044 LEU CB
H C 0043 ASP C 3.733 H C 0047 LEU CG
H C 0044 LEU C 2.432 H C 0045 GLN CA
H C 0044 LEU C 3.000 H C 0045 GLN C
H C 0044 LEU C 3.714 H C 0045 GLN CB
H C 0044 LEU CD1 3.574 H C 0045 GLN CA
H C 0044 LEU CA 3.759 H C 0047 LEU CB
H C 0045 GLN CA 3.799 H C 0046 GLU CA
H C 0045 GLN C 2.434 H C 0046 GLU CA
H C 0045 GLN C 3.202 H C 0046 GLU C
H C 0045 GLN C 3.669 H C 0046 GLU CB
H C 0046 GLU C 2.436 H C 0047 LEU CA
H C 0046 GLU C 2.980 H C 0047 LEU C
H C 0046 GLU C 3.718 H C 0047 LEU CB
H C 0047 LEU CA 3.791 H C 0048 GLY CA
H C 0047 LEU C 2.418 H C 0048 GLY CA
H C 0047 LEU C 3.332 H C 0048 GLY C
H C 0047 LEU CA 3.592 C C 0051 GLU CB
H C 0047 LEU C 3.618 C C 0051 GLU CB
H C 0047 LEU CD2 3.730 C C 0051 GLU CG
H C 0048 GLY C 2.435 C C 0049 LYS CA
H C 0048 GLY C 3.340 C C 0049 LYS C
H C 0048 GLY C 3.604 C C 0049 LYS CB
H C 0048 GLY CA 3.767 C C 0052 GLN CG
H C 0048 GLY C 3.438 C C 0052 GLN CG
C C 0049 LYS C 2.434 C C 0050 TYR CA
C C 0049 LYS C 3.345 C C 0050 TYR C
C C 0049 LYS C 3.598 C C 0050 TYR CB
C C 0049 LYS CD 3.772 C C 0050 TYR CB
C C 0050 TYR C 2.437 C C 0051 GLU CA
C C 0050 TYR C 2.953 C C 0051 GLU C
C C 0050 TYR C 3.715 C C 0051 GLU CB
C C 0051 GLU C 2.432 C C 0052 GLN CA
C C 0051 GLU C 3.314 C C 0052 GLN C
C C 0051 GLU C 3.620 C C 0052 GLN CB
C C 0052 GLN C 2.434 C C 0053 TYR CA
C C 0052 GLN C 2.994 C C 0053 TYR C
C C 0052 GLN C 3.715 C C 0053 TYR CB
C C 0053 TYR C 2.437 C C 0054 ILE CA
C C 0053 TYR C 3.098 C C 0054 ILE C
C C 0053 TYR C 3.735 C C 0054 ILE CB
C C 0054 ILE C 2.435 C C 0055 LYS CA
C C 0054 ILE C 3.652 C C 0055 LYS C
C C 0054 ILE C 3.250 C C 0055 LYS CB
C C 0054 ILE C 3.665 C C 0055 LYS CG
CHARGE_ATTR 2.00 12.00 27
H C 0026 GLU OE1 7.162 H C 0025 LYS NZ
H C 0026 GLU OE2 7.258 H C 0025 LYS NZ
H C 0026 GLU OE1 9.986 H C 0029 ARG NH1
H C 0026 GLU OE1 10.25 H C 0029 ARG NH2
H C 0026 GLU OE2 8.554 H C 0029 ARG NH1
H C 0026 GLU OE2 8.963 H C 0029 ARG NH2
H C 0028 ASP OD1 9.837 H C 0025 LYS NZ
H C 0028 ASP OD2 10.12 H C 0025 LYS NZ
H C 0028 ASP OD1 11.42 H C 0029 ARG NH1
H C 0028 ASP OD1 11.75 H C 0029 ARG NH2
H C 0028 ASP OD2 10.97 H C 0029 ARG NH1
H C 0028 ASP OD2 11.20 H C 0029 ARG NH2
H C 0028 ASP OD2 10.61 H C 0035 LYS NZ
H C 0032 GLU OE2 11.98 H C 0025 LYS NZ
H C 0032 GLU OE1 8.269 H C 0029 ARG NH1
H C 0032 GLU OE1 9.147 H C 0029 ARG NH2
H C 0032 GLU OE2 8.818 H C 0029 ARG NH1
H C 0032 GLU OE2 9.329 H C 0029 ARG NH2
H C 0032 GLU OE1 7.666 H C 0035 LYS NZ
H C 0032 GLU OE2 7.831 H C 0035 LYS NZ
H C 0039 GLU OE1 8.925 H C 0035 LYS NZ
H C 0039 GLU OE2 9.523 H C 0035 LYS NZ
H C 0043 ASP OD1 11.79 C C 0049 LYS NZ
H C 0046 GLU OE1 6.803 C C 0049 LYS NZ
H C 0046 GLU OE2 5.926 C C 0049 LYS NZ
C C 0051 GLU OE1 11.59 C C 0049 LYS NZ
C C 0051 GLU OE2 10.94 C C 0049 LYS NZ
CHARGE_REPU 2.00 12.00 41
C C 0007 ASP OD1 6.303 H C 0009 ASP OD1
C C 0007 ASP OD1 5.981 H C 0009 ASP OD2
C C 0007 ASP OD2 6.066 H C 0009 ASP OD1
C C 0007 ASP OD2 5.301 H C 0009 ASP OD2
C C 0007 ASP OD1 11.51 H C 0012 ASP OD1
C C 0007 ASP OD1 9.394 H C 0012 ASP OD2
C C 0007 ASP OD2 10.82 H C 0012 ASP OD1
C C 0007 ASP OD2 8.628 H C 0012 ASP OD2
H C 0009 ASP OD1 5.330 H C 0012 ASP OD1
H C 0009 ASP OD1 3.401 H C 0012 ASP OD2
H C 0009 ASP OD2 6.070 H C 0012 ASP OD1
H C 0009 ASP OD2 3.980 H C 0012 ASP OD2
H C 0025 LYS NZ 8.205 H C 0029 ARG NH1
H C 0025 LYS NZ 6.885 H C 0029 ARG NH2
H C 0026 GLU OE1 10.43 H C 0028 ASP OD1
H C 0026 GLU OE1 11.82 H C 0028 ASP OD2
H C 0026 GLU OE2 11.39 H C 0028 ASP OD1
H C 0028 ASP OD1 9.554 H C 0032 GLU OE1
H C 0028 ASP OD1 7.929 H C 0032 GLU OE2
H C 0028 ASP OD2 7.938 H C 0032 GLU OE1
H C 0028 ASP OD2 6.086 H C 0032 GLU OE2
H C 0032 GLU OE1 9.361 H C 0039 GLU OE1
H C 0032 GLU OE1 10.86 H C 0039 GLU OE2
H C 0032 GLU OE2 11.27 H C 0039 GLU OE1
H C 0039 GLU OE1 8.645 H C 0043 ASP OD1
H C 0039 GLU OE1 9.927 H C 0043 ASP OD2
H C 0039 GLU OE2 7.782 H C 0043 ASP OD1
H C 0039 GLU OE2 9.369 H C 0043 ASP OD2
H C 0039 GLU OE2 10.91 H C 0046 GLU OE1
H C 0043 ASP OD1 5.190 H C 0046 GLU OE1
H C 0043 ASP OD1 6.933 H C 0046 GLU OE2
H C 0043 ASP OD2 6.446 H C 0046 GLU OE1
H C 0043 ASP OD2 7.774 H C 0046 GLU OE2
H C 0043 ASP OD1 8.384 C C 0051 GLU OE1
H C 0043 ASP OD1 9.664 C C 0051 GLU OE2
H C 0043 ASP OD2 7.161 C C 0051 GLU OE1
H C 0043 ASP OD2 8.770 C C 0051 GLU OE2
H C 0046 GLU OE1 7.865 C C 0051 GLU OE1
H C 0046 GLU OE1 8.090 C C 0051 GLU OE2
H C 0046 GLU OE2 7.150 C C 0051 GLU OE1
H C 0046 GLU OE2 6.809 C C 0051 GLU OE2
HB_MM 2.00 3.20 109
C C 0002 SER N 2.250 C C 0001 GLY O
C C 0003 HIS N 2.250 C C 0002 SER O
C C 0004 THR N 2.250 C C 0003 HIS O
C C 0005 SER N 2.250 C C 0004 THR O
C C 0006 PRO N 2.252 C C 0005 SER O
C C 0007 ASP N 2.250 C C 0006 PRO O
C C 0008 VAL N 2.250 C C 0007 ASP O
H C 0009 ASP N 2.249 C C 0008 VAL O
H C 0010 LEU N 2.247 H C 0009 ASP O
H C 0011 GLY N 2.248 H C 0010 LEU O
H C 0012 ASP N 2.251 H C 0011 GLY O
H C 0013 ILE N 2.938 H C 0009 ASP O
H C 0013 ILE N 2.250 H C 0012 ASP O
H C 0014 SER N 3.108 H C 0012 ASP O
H C 0014 SER N 2.249 H C 0013 ILE O
C C 0015 GLY N 2.251 H C 0014 SER O
H C 0016 ILE N 3.074 H C 0014 SER O
H C 0016 ILE N 2.250 C C 0015 GLY O
H C 0017 ASN N 2.251 H C 0016 ILE O
H C 0018 ALA N 3.172 H C 0016 ILE O
H C 0018 ALA N 2.251 H C 0017 ASN O
H C 0019 SER N 2.701 H C 0016 ILE O
H C 0019 SER N 2.252 H C 0018 ALA O
H C 0020 VAL N 2.748 H C 0016 ILE O
H C 0020 VAL N 3.167 H C 0017 ASN O
H C 0020 VAL N 2.251 H C 0019 SER O
H C 0021 VAL N 2.250 H C 0020 VAL O
H C 0022 ASN N 3.170 H C 0018 ALA O
H C 0022 ASN N 3.137 H C 0019 SER O
H C 0022 ASN N 2.252 H C 0021 VAL O
H C 0023 ILE N 2.778 H C 0019 SER O
H C 0023 ILE N 2.252 H C 0022 ASN O
H C 0024 GLN N 2.957 H C 0020 VAL O
H C 0024 GLN N 2.250 H C 0023 ILE O
H C 0025 LYS N 3.007 H C 0021 VAL O
H C 0025 LYS N 2.252 H C 0024 GLN O
H C 0026 GLU N 2.889 H C 0022 ASN O
H C 0026 GLU N 3.105 H C 0023 ILE O
H C 0026 GLU N 3.163 H C 0024 GLN O
H C 0026 GLU N 2.252 H C 0025 LYS O
H C 0027 ILE N 3.082 H C 0023 ILE O
H C 0027 ILE N 2.250 H C 0026 GLU O
H C 0028 ASP N 2.252 H C 0027 ILE O
H C 0029 ARG N 3.106 H C 0025 LYS O
H C 0029 ARG N 2.758 H C 0026 GLU O
H C 0029 ARG N 3.005 H C 0027 ILE O
H C 0029 ARG N 2.257 H C 0028 ASP O
H C 0030 LEU N 3.127 H C 0026 GLU O
H C 0030 LEU N 2.667 H C 0027 ILE O
H C 0030 LEU N 2.254 H C 0029 ARG O
H C 0031 ASN N 2.574 H C 0027 ILE O
H C 0031 ASN N 2.248 H C 0030 LEU O
H C 0032 GLU N 3.056 H C 0028 ASP O
H C 0032 GLU N 3.122 H C 0030 LEU O
H C 0032 GLU N 2.254 H C 0031 ASN O
H C 0033 VAL N 3.057 H C 0029 ARG O
H C 0033 VAL N 2.663 H C 0030 LEU O
H C 0033 VAL N 2.256 H C 0032 GLU O
H C 0034 ALA N 2.671 H C 0030 LEU O
H C 0034 ALA N 2.252 H C 0033 VAL O
H C 0035 LYS N 3.181 H C 0031 ASN O
H C 0035 LYS N 2.972 H C 0032 GLU O
H C 0035 LYS N 2.255 H C 0034 ALA O
H C 0036 ASN N 2.979 H C 0032 GLU O
H C 0036 ASN N 2.250 H C 0035 LYS O
H C 0037 LEU N 2.981 H C 0033 VAL O
H C 0037 LEU N 3.141 H C 0034 ALA O
H C 0037 LEU N 2.260 H C 0036 ASN O
H C 0038 ASN N 2.566 H C 0034 ALA O
H C 0038 ASN N 3.154 H C 0035 LYS O
H C 0038 ASN N 2.259 H C 0037 LEU O
H C 0039 GLU N 2.988 H C 0035 LYS O
H C 0039 GLU N 3.057 H C 0036 ASN O
H C 0039 GLU N 3.039 H C 0037 LEU O
H C 0039 GLU N 2.252 H C 0038 ASN O
H C 0040 SER N 3.082 H C 0037 LEU O
H C 0040 SER N 2.244 H C 0039 GLU O
H C 0041 LEU N 3.146 H C 0037 LEU O
H C 0041 LEU N 3.118 H C 0038 ASN O
H C 0041 LEU N 2.916 H C 0039 GLU O
H C 0041 LEU N 2.258 H C 0040 SER O
H C 0042 ILE N 2.997 H C 0038 ASN O
H C 0042 ILE N 2.587 H C 0039 GLU O
H C 0042 ILE N 2.244 H C 0041 LEU O
H C 0043 ASP N 3.069 H C 0040 SER O
H C 0043 ASP N 2.261 H C 0042 ILE O
H C 0044 LEU N 2.256 H C 0043 ASP O
H C 0045 GLN N 3.063 H C 0041 LEU O
H C 0045 GLN N 3.004 H C 0043 ASP O
H C 0045 GLN N 2.251 H C 0044 LEU O
H C 0046 GLU N 3.127 H C 0042 ILE O
H C 0046 GLU N 2.751 H C 0043 ASP O
H C 0046 GLU N 2.252 H C 0045 GLN O
H C 0047 LEU N 2.657 H C 0043 ASP O
H C 0047 LEU N 2.252 H C 0046 GLU O
H C 0048 GLY N 3.172 H C 0044 LEU O
H C 0048 GLY N 3.184 H C 0046 GLU O
H C 0048 GLY N 2.251 H C 0047 LEU O
C C 0049 LYS N 2.917 H C 0046 GLU O
C C 0049 LYS N 2.251 H C 0048 GLY O
C C 0050 TYR N 2.248 C C 0049 LYS O
C C 0051 GLU N 2.250 C C 0050 TYR O
C C 0052 GLN N 2.990 C C 0050 TYR O
C C 0052 GLN N 2.249 C C 0051 GLU O
C C 0053 TYR N 2.658 C C 0050 TYR O
C C 0053 TYR N 2.250 C C 0052 GLN O
C C 0054 ILE N 3.043 C C 0052 GLN O
C C 0054 ILE N 2.251 C C 0053 TYR O
C C 0055 LYS N 2.249 C C 0054 ILE O
HB_MS 2.00 3.20 1
C C 0003 HIS N 2.958 C C 0002 SER OG
AROMATIC 0.00 8.00 2
C C 0049 LYS 6.371 C C 0050 TYR
C C 0055 LYS 5.458 C C 0053 TYR