Complet list of 1ns1 con file
Complete list of 1ns1.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 272
C A 0001 MET C 2.448 C A 0002 ASP CA
C A 0001 MET C 3.128 C A 0002 ASP C
C A 0001 MET C 3.721 C A 0002 ASP CB
C A 0001 MET CE 3.118 H A 0006 VAL CG2
C A 0001 MET CE 3.378 C A 0050 LEU CD2
C A 0002 ASP C 2.448 C A 0003 SER CA
C A 0002 ASP C 3.068 C A 0003 SER C
C A 0002 ASP C 3.732 C A 0003 SER CB
C A 0003 SER C 2.448 C A 0004 ASN CA
C A 0003 SER C 2.909 C A 0004 ASN C
C A 0003 SER C 3.732 C A 0004 ASN CB
C A 0004 ASN C 2.448 H A 0005 THR CA
C A 0004 ASN C 3.030 H A 0005 THR C
C A 0004 ASN C 3.702 H A 0005 THR CB
H A 0005 THR C 2.448 H A 0006 VAL CA
H A 0005 THR C 3.035 H A 0006 VAL C
H A 0005 THR C 3.717 H A 0006 VAL CB
H A 0006 VAL C 2.448 H A 0007 SER CA
H A 0006 VAL C 2.992 H A 0007 SER C
H A 0006 VAL C 3.742 H A 0007 SER CB
H A 0007 SER C 2.448 H A 0008 SER CA
H A 0007 SER C 2.943 H A 0008 SER C
H A 0007 SER C 3.743 H A 0008 SER CB
H A 0008 SER C 2.447 H A 0009 PHE CA
H A 0008 SER C 3.037 H A 0009 PHE C
H A 0008 SER C 3.722 H A 0009 PHE CB
H A 0009 PHE C 2.447 H A 0010 GLN CA
H A 0009 PHE C 2.914 H A 0010 GLN C
H A 0009 PHE C 3.742 H A 0010 GLN CB
H A 0009 PHE CD1 3.346 H A 0046 ARG CD
H A 0009 PHE CE1 2.917 H A 0046 ARG CB
H A 0009 PHE CE1 3.616 H A 0046 ARG CG
H A 0009 PHE CE1 3.239 H A 0046 ARG CD
H A 0009 PHE CZ 3.570 H A 0046 ARG C
H A 0009 PHE CZ 2.912 H A 0046 ARG CB
H A 0009 PHE CG 3.647 C A 0050 LEU CD1
H A 0009 PHE CD2 3.139 C A 0050 LEU CD1
H A 0009 PHE CE2 3.333 C A 0050 LEU CD1
H A 0010 GLN C 2.448 H A 0011 VAL CA
H A 0010 GLN C 3.010 H A 0011 VAL C
H A 0010 GLN C 3.721 H A 0011 VAL CB
H A 0010 GLN CG 3.667 H A 0057 ALA CA
H A 0010 GLN CD 3.596 H A 0060 VAL CG1
H A 0011 VAL C 2.447 H A 0012 ASP CA
H A 0011 VAL C 2.933 H A 0012 ASP C
H A 0011 VAL C 3.735 H A 0012 ASP CB
H A 0012 ASP C 2.448 H A 0013 CYS CA
H A 0012 ASP C 2.995 H A 0013 CYS C
H A 0012 ASP C 3.737 H A 0013 CYS CB
H A 0013 CYS C 2.448 H A 0014 PHE CA
H A 0013 CYS C 2.943 H A 0014 PHE C
H A 0013 CYS C 3.726 H A 0014 PHE CB
H A 0013 CYS CB 3.552 H A 0057 ALA CB
H A 0014 PHE C 2.448 H A 0015 LEU CA
H A 0014 PHE C 2.968 H A 0015 LEU C
H A 0014 PHE C 3.730 H A 0015 LEU CB
H A 0014 PHE CD1 3.730 H A 0062 LYS CA
H A 0014 PHE CE1 3.464 H A 0062 LYS CA
H A 0014 PHE CE1 3.504 H A 0062 LYS CB
H A 0014 PHE CD2 3.627 H A 0065 VAL CG2
H A 0014 PHE CE2 3.452 H A 0065 VAL CG2
H A 0015 LEU C 2.448 H A 0016 TRP CA
H A 0015 LEU C 2.923 H A 0016 TRP C
H A 0015 LEU C 3.728 H A 0016 TRP CB
H A 0016 TRP C 2.448 H A 0017 HIS CA
H A 0016 TRP C 2.990 H A 0017 HIS C
H A 0016 TRP C 3.734 H A 0017 HIS CB
H A 0016 TRP CG 3.644 H A 0036 LEU CD1
H A 0016 TRP CD1 3.169 H A 0036 LEU CD1
H A 0016 TRP CE2 3.623 H A 0036 LEU CD1
H A 0016 TRP CE2 3.538 H A 0040 GLN CD
H A 0016 TRP CZ2 2.975 H A 0040 GLN CD
H A 0016 TRP CH2 3.690 H A 0040 GLN CD
H A 0017 HIS C 2.448 H A 0018 VAL CA
H A 0017 HIS C 2.897 H A 0018 VAL C
H A 0017 HIS C 3.722 H A 0018 VAL CB
H A 0017 HIS CB 3.537 H A 0058 THR CG2
H A 0017 HIS CG 3.661 H A 0058 THR CG2
H A 0018 VAL C 2.448 H A 0019 ARG CA
H A 0018 VAL C 2.964 H A 0019 ARG C
H A 0018 VAL C 3.745 H A 0019 ARG CB
H A 0019 ARG C 2.447 H A 0020 LYS CA
H A 0019 ARG C 2.910 H A 0020 LYS C
H A 0019 ARG C 3.731 H A 0020 LYS CB
H A 0019 ARG CA 3.443 H A 0032 PHE CZ
H A 0019 ARG C 3.603 H A 0032 PHE CZ
H A 0019 ARG CB 3.344 H A 0032 PHE CE1
H A 0019 ARG CB 3.333 H A 0032 PHE CZ
H A 0019 ARG CG 3.331 H A 0032 PHE CE1
H A 0019 ARG CG 3.731 H A 0032 PHE CZ
H A 0019 ARG CD 3.549 H A 0032 PHE CE1
H A 0019 ARG CB 3.733 H A 0036 LEU CD1
H A 0020 LYS C 2.447 H A 0021 GLN CA
H A 0020 LYS C 3.063 H A 0021 GLN C
H A 0020 LYS C 3.732 H A 0021 GLN CB
H A 0021 GLN C 2.448 H A 0022 VAL CA
H A 0021 GLN C 3.017 H A 0022 VAL C
H A 0021 GLN C 3.721 H A 0022 VAL CB
H A 0022 VAL C 2.447 H A 0023 VAL CA
H A 0022 VAL C 3.073 H A 0023 VAL C
H A 0022 VAL C 3.709 H A 0023 VAL CB
H A 0022 VAL CB 3.653 H A 0032 PHE CE2
H A 0022 VAL CG1 3.408 H A 0032 PHE CE2
H A 0023 VAL C 2.448 H A 0024 ASP CA
H A 0023 VAL C 3.026 H A 0024 ASP C
H A 0023 VAL C 3.736 H A 0024 ASP CB
H A 0023 VAL CG2 3.696 H A 0032 PHE CD2
H A 0023 VAL CG2 3.136 H A 0032 PHE CE2
H A 0023 VAL CG2 3.688 H A 0032 PHE CZ
H A 0023 VAL CG1 3.791 H A 0033 LEU CD1
H A 0024 ASP C 2.448 C A 0025 GLN CA
H A 0024 ASP C 3.192 C A 0025 GLN C
H A 0024 ASP C 3.695 C A 0025 GLN CB
C A 0025 GLN C 2.448 C A 0026 GLU CA
C A 0025 GLN C 2.997 C A 0026 GLU C
C A 0025 GLN C 3.032 C A 0026 GLU CB
C A 0025 GLN C 3.428 C A 0026 GLU CG
C A 0025 GLN CB 3.382 C A 0027 LEU CD1
C A 0026 GLU C 2.448 C A 0027 LEU CA
C A 0026 GLU C 3.575 C A 0027 LEU C
C A 0026 GLU C 3.359 C A 0027 LEU CB
C A 0026 GLU C 3.394 C A 0027 LEU CG
C A 0027 LEU C 2.448 C A 0028 GLY CA
C A 0027 LEU C 3.200 C A 0028 GLY C
C A 0028 GLY C 2.448 C A 0029 ASP CA
C A 0028 GLY C 3.200 C A 0029 ASP C
C A 0028 GLY C 3.700 C A 0029 ASP CB
C A 0029 ASP C 2.448 C A 0030 ALA CA
C A 0029 ASP C 3.714 C A 0030 ALA C
C A 0029 ASP C 2.960 C A 0030 ALA CB
C A 0029 ASP C 3.561 H A 0031 PRO CD
C A 0029 ASP CB 3.514 H A 0031 PRO CD
C A 0029 ASP CG 3.439 H A 0031 PRO CD
C A 0030 ALA CA 2.839 H A 0031 PRO CD
C A 0030 ALA C 2.465 H A 0031 PRO CA
C A 0030 ALA C 3.161 H A 0031 PRO C
C A 0030 ALA C 3.640 H A 0031 PRO CB
C A 0030 ALA C 3.658 H A 0031 PRO CG
C A 0030 ALA C 2.471 H A 0031 PRO CD
C A 0030 ALA CB 3.099 H A 0031 PRO CD
H A 0031 PRO C 2.448 H A 0032 PHE CA
H A 0031 PRO C 3.019 H A 0032 PHE C
H A 0031 PRO C 3.724 H A 0032 PHE CB
H A 0032 PHE C 2.448 H A 0033 LEU CA
H A 0032 PHE C 3.025 H A 0033 LEU C
H A 0032 PHE C 3.723 H A 0033 LEU CB
H A 0033 LEU C 2.448 H A 0034 ASP CA
H A 0033 LEU C 2.939 H A 0034 ASP C
H A 0033 LEU C 3.736 H A 0034 ASP CB
H A 0034 ASP C 2.448 H A 0035 ARG CA
H A 0034 ASP C 3.014 H A 0035 ARG C
H A 0034 ASP C 3.742 H A 0035 ARG CB
H A 0035 ARG C 2.448 H A 0036 LEU CA
H A 0035 ARG C 2.985 H A 0036 LEU C
H A 0035 ARG C 3.729 H A 0036 LEU CB
H A 0036 LEU C 2.448 H A 0037 ARG CA
H A 0036 LEU C 3.006 H A 0037 ARG C
H A 0036 LEU C 3.743 H A 0037 ARG CB
H A 0037 ARG C 2.448 H A 0038 ARG CA
H A 0037 ARG C 2.960 H A 0038 ARG C
H A 0037 ARG C 3.744 H A 0038 ARG CB
H A 0038 ARG C 2.448 H A 0039 ASP CA
H A 0038 ARG C 3.085 H A 0039 ASP C
H A 0038 ARG C 3.730 H A 0039 ASP CB
H A 0039 ASP C 2.448 H A 0040 GLN CA
H A 0039 ASP C 3.017 H A 0040 GLN C
H A 0039 ASP C 3.739 H A 0040 GLN CB
H A 0040 GLN C 2.448 H A 0041 LYS CA
H A 0040 GLN C 2.962 H A 0041 LYS C
H A 0040 GLN C 3.731 H A 0041 LYS CB
H A 0040 GLN CG 3.615 H A 0044 ARG CD
H A 0041 LYS C 2.448 H A 0042 SER CA
H A 0041 LYS C 3.050 H A 0042 SER C
H A 0041 LYS C 3.736 H A 0042 SER CB
H A 0042 SER C 2.448 H A 0043 LEU CA
H A 0042 SER C 3.016 H A 0043 LEU C
H A 0042 SER C 3.725 H A 0043 LEU CB
H A 0043 LEU C 2.448 H A 0044 ARG CA
H A 0043 LEU C 3.053 H A 0044 ARG C
H A 0043 LEU C 3.738 H A 0044 ARG CB
H A 0044 ARG C 2.448 H A 0045 GLY CA
H A 0044 ARG C 3.017 H A 0045 GLY C
H A 0045 GLY C 2.448 H A 0046 ARG CA
H A 0045 GLY C 3.077 H A 0046 ARG C
H A 0045 GLY C 3.735 H A 0046 ARG CB
H A 0046 ARG C 2.448 H A 0047 GLY CA
H A 0046 ARG C 3.004 H A 0047 GLY C
H A 0047 GLY C 2.448 H A 0048 SER CA
H A 0047 GLY C 3.127 H A 0048 SER C
H A 0047 GLY C 3.718 H A 0048 SER CB
H A 0048 SER C 2.448 H A 0049 THR CA
H A 0048 SER C 2.955 H A 0049 THR C
H A 0048 SER C 3.708 H A 0049 THR CB
H A 0049 THR C 2.449 C A 0050 LEU CA
H A 0049 THR C 3.045 C A 0050 LEU C
H A 0049 THR C 3.720 C A 0050 LEU CB
C A 0050 LEU C 2.448 C A 0051 GLY CA
C A 0050 LEU C 3.049 C A 0051 GLY C
C A 0051 GLY C 2.448 C A 0052 LEU CA
C A 0051 GLY C 3.334 C A 0052 LEU C
C A 0051 GLY C 3.594 C A 0052 LEU CB
C A 0052 LEU C 2.448 C A 0053 ASN CA
C A 0052 LEU C 3.084 C A 0053 ASN C
C A 0052 LEU C 3.729 C A 0053 ASN CB
C A 0053 ASN C 2.447 H A 0054 ILE CA
C A 0053 ASN C 3.027 H A 0054 ILE C
C A 0053 ASN C 3.723 H A 0054 ILE CB
C A 0053 ASN CB 3.587 H A 0056 ALA CB
H A 0054 ILE C 2.448 H A 0055 GLU CA
H A 0054 ILE C 2.997 H A 0055 GLU C
H A 0054 ILE C 3.742 H A 0055 GLU CB
H A 0055 GLU C 2.448 H A 0056 ALA CA
H A 0055 GLU C 3.041 H A 0056 ALA C
H A 0055 GLU C 3.720 H A 0056 ALA CB
H A 0056 ALA C 2.448 H A 0057 ALA CA
H A 0056 ALA C 3.018 H A 0057 ALA C
H A 0056 ALA C 3.722 H A 0057 ALA CB
H A 0057 ALA C 2.448 H A 0058 THR CA
H A 0057 ALA C 2.988 H A 0058 THR C
H A 0057 ALA C 3.707 H A 0058 THR CB
H A 0058 THR C 2.448 H A 0059 HIS CA
H A 0058 THR C 2.996 H A 0059 HIS C
H A 0058 THR C 3.734 H A 0059 HIS CB
H A 0059 HIS C 2.448 H A 0060 VAL CA
H A 0059 HIS C 2.908 H A 0060 VAL C
H A 0059 HIS C 3.725 H A 0060 VAL CB
H A 0060 VAL C 2.448 H A 0061 GLY CA
H A 0060 VAL C 2.985 H A 0061 GLY C
H A 0061 GLY C 2.448 H A 0062 LYS CA
H A 0061 GLY C 2.888 H A 0062 LYS C
H A 0061 GLY C 3.729 H A 0062 LYS CB
H A 0062 LYS C 2.447 H A 0063 GLN CA
H A 0062 LYS C 3.065 H A 0063 GLN C
H A 0062 LYS C 3.732 H A 0063 GLN CB
H A 0062 LYS CE 3.193 H A 0066 GLU CG
H A 0062 LYS CE 3.396 H A 0066 GLU CD
H A 0063 GLN C 2.448 H A 0064 ILE CA
H A 0063 GLN C 2.996 H A 0064 ILE C
H A 0063 GLN C 3.727 H A 0064 ILE CB
H A 0064 ILE C 2.448 H A 0065 VAL CA
H A 0064 ILE C 3.100 H A 0065 VAL C
H A 0064 ILE C 3.702 H A 0065 VAL CB
H A 0065 VAL C 2.448 H A 0066 GLU CA
H A 0065 VAL C 2.996 H A 0066 GLU C
H A 0065 VAL C 3.742 H A 0066 GLU CB
H A 0065 VAL CG1 3.592 H A 0069 LEU CD1
H A 0066 GLU C 2.448 H A 0067 LYS CA
H A 0066 GLU C 3.079 H A 0067 LYS C
H A 0066 GLU C 3.712 H A 0067 LYS CB
H A 0067 LYS C 2.447 H A 0068 ILE CA
H A 0067 LYS C 3.121 H A 0068 ILE C
H A 0067 LYS C 3.698 H A 0068 ILE CB
H A 0067 LYS C 3.711 C A 0071 GLU CG
H A 0068 ILE C 2.449 H A 0069 LEU CA
H A 0068 ILE C 3.113 H A 0069 LEU C
H A 0068 ILE C 3.702 H A 0069 LEU CB
H A 0068 ILE CA 3.591 C A 0071 GLU CG
H A 0068 ILE C 3.642 C A 0071 GLU CG
H A 0069 LEU C 2.448 H A 0070 LYS CA
H A 0069 LEU C 3.024 H A 0070 LYS C
H A 0069 LEU C 3.724 H A 0070 LYS CB
H A 0069 LEU C 3.777 C A 0072 GLU C
H A 0070 LYS C 2.447 C A 0071 GLU CA
H A 0070 LYS C 3.147 C A 0071 GLU C
H A 0070 LYS C 3.710 C A 0071 GLU CB
C A 0071 GLU C 2.448 C A 0072 GLU CA
C A 0071 GLU C 3.711 C A 0072 GLU C
C A 0071 GLU C 3.079 C A 0072 GLU CB
C A 0071 GLU C 3.363 C A 0072 GLU CG
C A 0072 GLU C 2.448 C A 0073 SER CA
C A 0072 GLU C 2.860 C A 0073 SER C
C A 0072 GLU C 3.732 C A 0073 SER CB
CHARGE_ATTR 2.00 12.00 84
C A 0002 ASP OD1 11.54 H A 0046 ARG NH1
C A 0002 ASP OD1 10.99 H A 0046 ARG NH2
C A 0002 ASP OD2 10.30 H A 0046 ARG NH1
C A 0002 ASP OD2 9.593 H A 0046 ARG NH2
H A 0012 ASP OD1 6.473 H A 0019 ARG NH1
H A 0012 ASP OD1 4.593 H A 0019 ARG NH2
H A 0012 ASP OD2 7.541 H A 0019 ARG NH1
H A 0012 ASP OD2 6.082 H A 0019 ARG NH2
H A 0012 ASP OD1 10.17 H A 0035 ARG NH1
H A 0012 ASP OD1 9.183 H A 0035 ARG NH2
H A 0012 ASP OD2 10.93 H A 0035 ARG NH1
H A 0012 ASP OD2 10.21 H A 0035 ARG NH2
H A 0012 ASP OD1 7.451 H A 0046 ARG NH1
H A 0012 ASP OD1 8.730 H A 0046 ARG NH2
H A 0012 ASP OD2 5.563 H A 0046 ARG NH1
H A 0012 ASP OD2 6.762 H A 0046 ARG NH2
H A 0024 ASP OD1 11.03 H A 0017 HIS ND1
H A 0024 ASP OD1 9.116 H A 0017 HIS NE2
H A 0024 ASP OD2 9.328 H A 0017 HIS ND1
H A 0024 ASP OD2 7.586 H A 0017 HIS NE2
H A 0024 ASP OD1 4.817 H A 0020 LYS NZ
H A 0024 ASP OD2 3.977 H A 0020 LYS NZ
C A 0026 GLU OE2 11.44 H A 0020 LYS NZ
C A 0029 ASP OD1 10.64 H A 0019 ARG NH1
C A 0029 ASP OD2 11.65 H A 0019 ARG NH1
C A 0029 ASP OD1 9.009 H A 0035 ARG NH1
C A 0029 ASP OD1 8.468 H A 0035 ARG NH2
C A 0029 ASP OD2 9.494 H A 0035 ARG NH1
C A 0029 ASP OD2 9.113 H A 0035 ARG NH2
C A 0029 ASP OD1 10.47 H A 0037 ARG NH1
H A 0034 ASP OD1 11.31 H A 0019 ARG NH1
H A 0034 ASP OD2 11.86 H A 0019 ARG NH1
H A 0034 ASP OD1 9.908 H A 0035 ARG NH1
H A 0034 ASP OD1 10.45 H A 0035 ARG NH2
H A 0034 ASP OD2 9.412 H A 0035 ARG NH1
H A 0034 ASP OD2 10.34 H A 0035 ARG NH2
H A 0034 ASP OD1 3.853 H A 0037 ARG NH1
H A 0034 ASP OD1 4.779 H A 0037 ARG NH2
H A 0034 ASP OD2 5.126 H A 0037 ARG NH1
H A 0034 ASP OD2 6.284 H A 0037 ARG NH2
H A 0034 ASP OD1 5.144 H A 0038 ARG NH1
H A 0034 ASP OD1 5.835 H A 0038 ARG NH2
H A 0034 ASP OD2 5.254 H A 0038 ARG NH1
H A 0034 ASP OD2 6.577 H A 0038 ARG NH2
H A 0039 ASP OD1 4.891 H A 0019 ARG NH1
H A 0039 ASP OD1 6.068 H A 0019 ARG NH2
H A 0039 ASP OD2 3.339 H A 0019 ARG NH1
H A 0039 ASP OD2 4.127 H A 0019 ARG NH2
H A 0039 ASP OD1 6.620 H A 0035 ARG NH1
H A 0039 ASP OD1 6.281 H A 0035 ARG NH2
H A 0039 ASP OD2 6.931 H A 0035 ARG NH1
H A 0039 ASP OD2 5.874 H A 0035 ARG NH2
H A 0039 ASP OD1 11.04 H A 0037 ARG NH1
H A 0039 ASP OD1 11.90 H A 0037 ARG NH2
H A 0039 ASP OD1 9.638 H A 0038 ARG NH1
H A 0039 ASP OD1 10.56 H A 0038 ARG NH2
H A 0039 ASP OD2 11.79 H A 0038 ARG NH1
H A 0039 ASP OD1 11.38 H A 0046 ARG NH1
H A 0039 ASP OD1 11.77 H A 0046 ARG NH2
H A 0039 ASP OD2 11.03 H A 0046 ARG NH1
H A 0039 ASP OD2 11.83 H A 0046 ARG NH2
H A 0055 GLU OE1 9.036 H A 0017 HIS ND1
H A 0055 GLU OE1 8.734 H A 0017 HIS NE2
H A 0055 GLU OE2 9.568 H A 0017 HIS ND1
H A 0055 GLU OE2 8.972 H A 0017 HIS NE2
H A 0055 GLU OE2 11.91 H A 0020 LYS NZ
H A 0055 GLU OE1 7.100 H A 0059 HIS ND1
H A 0055 GLU OE1 5.502 H A 0059 HIS NE2
H A 0055 GLU OE2 9.195 H A 0059 HIS ND1
H A 0055 GLU OE2 7.497 H A 0059 HIS NE2
H A 0066 GLU OE1 10.31 H A 0059 HIS ND1
H A 0066 GLU OE1 11.35 H A 0059 HIS NE2
H A 0066 GLU OE1 2.847 H A 0062 LYS NZ
H A 0066 GLU OE2 3.686 H A 0062 LYS NZ
H A 0066 GLU OE1 8.143 H A 0067 LYS NZ
H A 0066 GLU OE2 9.053 H A 0067 LYS NZ
H A 0066 GLU OE1 8.622 H A 0070 LYS NZ
H A 0066 GLU OE2 6.836 H A 0070 LYS NZ
C A 0071 GLU OE1 10.52 H A 0067 LYS NZ
C A 0071 GLU OE2 8.330 H A 0067 LYS NZ
C A 0071 GLU OE1 10.64 H A 0070 LYS NZ
C A 0071 GLU OE2 9.987 H A 0070 LYS NZ
C A 0072 GLU OE1 11.86 H A 0070 LYS NZ
C A 0072 GLU OE2 11.10 H A 0070 LYS NZ
CHARGE_REPU 2.00 12.00 52
H A 0012 ASP OD1 7.603 H A 0039 ASP OD1
H A 0012 ASP OD1 6.206 H A 0039 ASP OD2
H A 0012 ASP OD2 7.184 H A 0039 ASP OD1
H A 0012 ASP OD2 6.237 H A 0039 ASP OD2
H A 0017 HIS ND1 11.86 H A 0019 ARG NH2
H A 0017 HIS ND1 10.50 H A 0020 LYS NZ
H A 0017 HIS NE2 8.850 H A 0020 LYS NZ
H A 0017 HIS ND1 8.667 H A 0059 HIS ND1
H A 0017 HIS ND1 7.085 H A 0059 HIS NE2
H A 0017 HIS NE2 9.681 H A 0059 HIS ND1
H A 0017 HIS NE2 7.802 H A 0059 HIS NE2
H A 0017 HIS ND1 10.39 H A 0062 LYS NZ
H A 0017 HIS NE2 11.92 H A 0062 LYS NZ
H A 0019 ARG NH1 5.359 H A 0035 ARG NH1
H A 0019 ARG NH1 3.505 H A 0035 ARG NH2
H A 0019 ARG NH2 7.177 H A 0035 ARG NH1
H A 0019 ARG NH2 5.448 H A 0035 ARG NH2
H A 0019 ARG NH2 11.61 H A 0046 ARG NH1
H A 0020 LYS NZ 9.872 H A 0044 ARG NH1
H A 0020 LYS NZ 11.94 H A 0044 ARG NH2
H A 0024 ASP OD1 9.643 C A 0026 GLU OE1
H A 0024 ASP OD1 8.072 C A 0026 GLU OE2
H A 0024 ASP OD2 10.91 C A 0026 GLU OE1
H A 0024 ASP OD2 9.534 C A 0026 GLU OE2
C A 0029 ASP OD1 10.41 H A 0034 ASP OD1
C A 0029 ASP OD1 9.841 H A 0034 ASP OD2
C A 0029 ASP OD2 11.37 H A 0034 ASP OD2
H A 0034 ASP OD1 8.364 H A 0039 ASP OD1
H A 0034 ASP OD1 9.977 H A 0039 ASP OD2
H A 0034 ASP OD2 9.330 H A 0039 ASP OD1
H A 0034 ASP OD2 10.98 H A 0039 ASP OD2
H A 0035 ARG NH1 11.69 H A 0038 ARG NH1
H A 0037 ARG NH1 8.290 H A 0038 ARG NH1
H A 0037 ARG NH1 8.159 H A 0038 ARG NH2
H A 0037 ARG NH2 7.948 H A 0038 ARG NH1
H A 0037 ARG NH2 7.186 H A 0038 ARG NH2
H A 0037 ARG NH2 10.90 H A 0041 LYS NZ
H A 0037 ARG NH2 11.49 H A 0044 ARG NH1
H A 0037 ARG NH2 11.76 H A 0044 ARG NH2
H A 0038 ARG NH1 11.55 H A 0041 LYS NZ
H A 0038 ARG NH2 9.679 H A 0041 LYS NZ
H A 0041 LYS NZ 6.336 H A 0044 ARG NH1
H A 0041 LYS NZ 4.719 H A 0044 ARG NH2
H A 0059 HIS ND1 10.32 H A 0062 LYS NZ
H A 0059 HIS NE2 10.82 H A 0062 LYS NZ
H A 0062 LYS NZ 10.60 H A 0067 LYS NZ
H A 0062 LYS NZ 9.803 H A 0070 LYS NZ
H A 0067 LYS NZ 10.68 H A 0070 LYS NZ
C A 0071 GLU OE1 6.711 C A 0072 GLU OE1
C A 0071 GLU OE1 6.740 C A 0072 GLU OE2
C A 0071 GLU OE2 8.683 C A 0072 GLU OE1
C A 0071 GLU OE2 8.399 C A 0072 GLU OE2
HB_MM 2.00 3.20 158
C A 0002 ASP N 2.293 C A 0001 MET O
C A 0003 SER N 2.293 C A 0002 ASP O
C A 0004 ASN N 2.293 C A 0003 SER O
H A 0005 THR N 2.984 C A 0003 SER O
H A 0005 THR N 2.293 C A 0004 ASN O
H A 0006 VAL N 2.663 C A 0003 SER O
H A 0006 VAL N 2.294 H A 0005 THR O
H A 0007 SER N 2.968 C A 0003 SER O
H A 0007 SER N 2.293 H A 0006 VAL O
H A 0008 SER N 2.832 C A 0004 ASN O
H A 0008 SER N 2.294 H A 0007 SER O
H A 0009 PHE N 2.960 H A 0005 THR O
H A 0009 PHE N 3.138 H A 0006 VAL O
H A 0009 PHE N 3.161 H A 0007 SER O
H A 0009 PHE N 2.293 H A 0008 SER O
H A 0010 GLN N 2.881 H A 0006 VAL O
H A 0010 GLN N 3.037 H A 0007 SER O
H A 0010 GLN N 2.293 H A 0009 PHE O
H A 0011 VAL N 2.952 H A 0007 SER O
H A 0011 VAL N 3.129 H A 0009 PHE O
H A 0011 VAL N 2.294 H A 0010 GLN O
H A 0012 ASP N 3.002 H A 0008 SER O
H A 0012 ASP N 2.994 H A 0009 PHE O
H A 0012 ASP N 2.293 H A 0011 VAL O
H A 0013 CYS N 2.760 H A 0009 PHE O
H A 0013 CYS N 3.119 H A 0011 VAL O
H A 0013 CYS N 2.293 H A 0012 ASP O
H A 0014 PHE N 3.003 H A 0010 GLN O
H A 0014 PHE N 3.074 H A 0011 VAL O
H A 0014 PHE N 2.293 H A 0013 CYS O
H A 0015 LEU N 2.797 H A 0011 VAL O
H A 0015 LEU N 2.293 H A 0014 PHE O
H A 0016 TRP N 2.783 H A 0012 ASP O
H A 0016 TRP N 3.035 H A 0013 CYS O
H A 0016 TRP N 2.293 H A 0015 LEU O
H A 0017 HIS N 3.032 H A 0013 CYS O
H A 0017 HIS N 3.060 H A 0014 PHE O
H A 0017 HIS N 3.151 H A 0015 LEU O
H A 0017 HIS N 2.294 H A 0016 TRP O
H A 0018 VAL N 3.004 H A 0014 PHE O
H A 0018 VAL N 3.132 H A 0015 LEU O
H A 0018 VAL N 2.293 H A 0017 HIS O
H A 0019 ARG N 2.800 H A 0015 LEU O
H A 0019 ARG N 3.102 H A 0017 HIS O
H A 0019 ARG N 2.292 H A 0018 VAL O
H A 0020 LYS N 2.854 H A 0016 TRP O
H A 0020 LYS N 2.889 H A 0017 HIS O
H A 0020 LYS N 2.293 H A 0019 ARG O
H A 0021 GLN N 2.994 H A 0017 HIS O
H A 0021 GLN N 2.996 H A 0018 VAL O
H A 0021 GLN N 2.996 H A 0019 ARG O
H A 0021 GLN N 2.293 H A 0020 LYS O
H A 0022 VAL N 2.962 H A 0018 VAL O
H A 0022 VAL N 2.669 H A 0019 ARG O
H A 0022 VAL N 2.294 H A 0021 GLN O
H A 0023 VAL N 2.949 H A 0019 ARG O
H A 0023 VAL N 2.293 H A 0022 VAL O
H A 0024 ASP N 2.904 H A 0020 LYS O
H A 0024 ASP N 2.293 H A 0023 VAL O
C A 0025 GLN N 3.019 H A 0021 GLN O
C A 0025 GLN N 3.130 H A 0023 VAL O
C A 0025 GLN N 2.293 H A 0024 ASP O
C A 0026 GLU N 2.851 H A 0023 VAL O
C A 0026 GLU N 2.293 C A 0025 GLN O
C A 0027 LEU N 2.294 C A 0026 GLU O
C A 0028 GLY N 2.293 C A 0027 LEU O
C A 0029 ASP N 2.293 C A 0028 GLY O
C A 0030 ALA N 2.293 C A 0029 ASP O
H A 0031 PRO N 2.293 C A 0030 ALA O
H A 0032 PHE N 2.293 H A 0031 PRO O
H A 0033 LEU N 2.293 H A 0032 PHE O
H A 0034 ASP N 3.078 C A 0030 ALA O
H A 0034 ASP N 2.293 H A 0033 LEU O
H A 0035 ARG N 2.874 H A 0031 PRO O
H A 0035 ARG N 2.293 H A 0034 ASP O
H A 0036 LEU N 2.891 H A 0032 PHE O
H A 0036 LEU N 2.910 H A 0033 LEU O
H A 0036 LEU N 2.293 H A 0035 ARG O
H A 0037 ARG N 2.870 H A 0033 LEU O
H A 0037 ARG N 2.293 H A 0036 LEU O
H A 0038 ARG N 3.004 H A 0034 ASP O
H A 0038 ARG N 2.293 H A 0037 ARG O
H A 0039 ASP N 2.696 H A 0035 ARG O
H A 0039 ASP N 3.115 H A 0037 ARG O
H A 0039 ASP N 2.294 H A 0038 ARG O
H A 0040 GLN N 2.791 H A 0036 LEU O
H A 0040 GLN N 2.837 H A 0037 ARG O
H A 0040 GLN N 2.293 H A 0039 ASP O
H A 0041 LYS N 3.041 H A 0037 ARG O
H A 0041 LYS N 2.293 H A 0040 GLN O
H A 0042 SER N 3.159 H A 0038 ARG O
H A 0042 SER N 2.293 H A 0041 LYS O
H A 0043 LEU N 2.691 H A 0039 ASP O
H A 0043 LEU N 3.023 H A 0040 GLN O
H A 0043 LEU N 2.293 H A 0042 SER O
H A 0044 ARG N 2.773 H A 0040 GLN O
H A 0044 ARG N 2.293 H A 0043 LEU O
H A 0045 GLY N 3.099 H A 0041 LYS O
H A 0045 GLY N 3.167 H A 0042 SER O
H A 0045 GLY N 2.293 H A 0044 ARG O
H A 0046 ARG N 2.978 H A 0042 SER O
H A 0046 ARG N 2.293 H A 0045 GLY O
H A 0047 GLY N 2.694 H A 0043 LEU O
H A 0047 GLY N 2.293 H A 0046 ARG O
H A 0048 SER N 2.837 H A 0044 ARG O
H A 0048 SER N 2.293 H A 0047 GLY O
H A 0049 THR N 2.802 H A 0045 GLY O
H A 0049 THR N 2.294 H A 0048 SER O
C A 0050 LEU N 2.645 H A 0046 ARG O
C A 0050 LEU N 2.294 H A 0049 THR O
C A 0051 GLY N 2.678 H A 0047 GLY O
C A 0051 GLY N 3.171 H A 0048 SER O
C A 0051 GLY N 2.293 C A 0050 LEU O
C A 0052 LEU N 3.125 H A 0047 GLY O
C A 0052 LEU N 2.293 C A 0051 GLY O
C A 0053 ASN N 2.293 C A 0052 LEU O
H A 0054 ILE N 2.293 C A 0053 ASN O
H A 0055 GLU N 2.293 H A 0054 ILE O
H A 0056 ALA N 2.294 H A 0055 GLU O
H A 0057 ALA N 2.814 C A 0053 ASN O
H A 0057 ALA N 3.190 H A 0054 ILE O
H A 0057 ALA N 2.293 H A 0056 ALA O
H A 0058 THR N 2.760 H A 0054 ILE O
H A 0058 THR N 2.294 H A 0057 ALA O
H A 0059 HIS N 3.058 H A 0055 GLU O
H A 0059 HIS N 2.293 H A 0058 THR O
H A 0060 VAL N 3.032 H A 0056 ALA O
H A 0060 VAL N 2.293 H A 0059 HIS O
H A 0061 GLY N 2.926 H A 0057 ALA O
H A 0061 GLY N 3.054 H A 0059 HIS O
H A 0061 GLY N 2.293 H A 0060 VAL O
H A 0062 LYS N 2.964 H A 0058 THR O
H A 0062 LYS N 2.823 H A 0059 HIS O
H A 0062 LYS N 2.294 H A 0061 GLY O
H A 0063 GLN N 3.167 H A 0060 VAL O
H A 0063 GLN N 3.088 H A 0061 GLY O
H A 0063 GLN N 2.293 H A 0062 LYS O
H A 0064 ILE N 2.878 H A 0060 VAL O
H A 0064 ILE N 2.674 H A 0061 GLY O
H A 0064 ILE N 2.293 H A 0063 GLN O
H A 0065 VAL N 2.758 H A 0061 GLY O
H A 0065 VAL N 2.293 H A 0064 ILE O
H A 0066 GLU N 3.013 H A 0062 LYS O
H A 0066 GLU N 2.294 H A 0065 VAL O
H A 0067 LYS N 2.779 H A 0063 GLN O
H A 0067 LYS N 2.292 H A 0066 GLU O
H A 0068 ILE N 3.177 H A 0064 ILE O
H A 0068 ILE N 3.031 H A 0065 VAL O
H A 0068 ILE N 2.293 H A 0067 LYS O
H A 0069 LEU N 2.717 H A 0065 VAL O
H A 0069 LEU N 2.293 H A 0068 ILE O
H A 0070 LYS N 2.827 H A 0066 GLU O
H A 0070 LYS N 2.294 H A 0069 LEU O
C A 0071 GLU N 2.294 H A 0070 LYS O
C A 0072 GLU N 2.945 H A 0069 LEU O
C A 0072 GLU N 2.293 C A 0071 GLU O
C A 0073 SER N 2.850 H A 0069 LEU O
C A 0073 SER N 2.293 C A 0072 GLU O
HB_MS 2.00 3.20 9
C A 0004 ASN O 2.560 H A 0007 SER OG
C A 0004 ASN O 2.637 H A 0008 SER OG
H A 0008 SER N 3.042 H A 0007 SER OG
H A 0017 HIS O 2.659 H A 0021 GLN NE2
C A 0030 ALA N 3.122 C A 0029 ASP OD1
H A 0036 LEU O 3.180 H A 0016 TRP NE1
H A 0045 GLY O 2.692 H A 0049 THR OG1
H A 0054 ILE O 2.889 H A 0058 THR OG1
H A 0059 HIS O 2.625 H A 0063 GLN NE2
AROMATIC 0.00 8.00 3
H A 0019 ARG 6.638 H A 0032 PHE
H A 0035 ARG 6.275 H A 0032 PHE
H A 0020 LYS 6.467 H A 0016 TRP
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 25
C A 0004 ASN CG 3.582 C B 0027 LEU CA
C A 0004 ASN CG 3.790 C B 0027 LEU C
H A 0008 SER CB 3.493 C B 0029 ASP CG
H A 0011 VAL CG1 3.751 H B 0022 VAL CG2
H A 0011 VAL CG2 3.656 H B 0022 VAL CG1
H A 0011 VAL CG2 3.371 H B 0022 VAL CG2
H A 0015 LEU CD1 3.649 H B 0019 ARG CG
H A 0019 ARG CG 3.625 H B 0015 LEU CD1
H A 0021 GLN CB 3.738 H B 0068 ILE CG2
H A 0021 GLN CG 3.650 H B 0068 ILE CG2
H A 0021 GLN CD 3.723 H B 0068 ILE CG2
H A 0022 VAL CG1 3.631 H B 0011 VAL CG2
H A 0022 VAL CG2 3.756 H B 0011 VAL CG1
H A 0022 VAL CG2 3.362 H B 0011 VAL CG2
C A 0025 GLN CD 3.721 H B 0068 ILE CG1
C A 0025 GLN CD 3.686 H B 0068 ILE CD1
C A 0027 LEU CA 3.537 C B 0004 ASN CG
C A 0027 LEU C 3.745 C B 0004 ASN CG
C A 0029 ASP CG 3.498 H B 0008 SER CB
H A 0068 ILE CG2 3.658 H B 0021 GLN CB
H A 0068 ILE CG2 3.622 H B 0021 GLN CG
H A 0068 ILE CG2 3.690 H B 0021 GLN CD
H A 0068 ILE CG1 3.540 C B 0025 GLN CD
H A 0068 ILE CD1 3.797 C B 0025 GLN CG
H A 0068 ILE CD1 3.580 C B 0025 GLN CD
CHARGE_ATTR 2.00 12.00 76
H A 0012 ASP OD1 5.491 H B 0019 ARG NH1
H A 0012 ASP OD1 7.086 H B 0019 ARG NH2
H A 0012 ASP OD2 7.113 H B 0019 ARG NH1
H A 0012 ASP OD2 8.881 H B 0019 ARG NH2
H A 0012 ASP OD1 5.048 H B 0035 ARG NH1
H A 0012 ASP OD1 3.351 H B 0035 ARG NH2
H A 0012 ASP OD2 4.547 H B 0035 ARG NH1
H A 0012 ASP OD2 3.903 H B 0035 ARG NH2
H A 0017 HIS ND1 11.54 C B 0071 GLU OE1
H A 0017 HIS NE2 10.36 C B 0071 GLU OE1
H A 0017 HIS ND1 7.018 C B 0072 GLU OE1
H A 0017 HIS ND1 5.492 C B 0072 GLU OE2
H A 0017 HIS NE2 5.482 C B 0072 GLU OE1
H A 0017 HIS NE2 4.445 C B 0072 GLU OE2
H A 0019 ARG NH1 5.325 H B 0012 ASP OD1
H A 0019 ARG NH1 6.950 H B 0012 ASP OD2
H A 0019 ARG NH2 6.703 H B 0012 ASP OD1
H A 0019 ARG NH2 8.503 H B 0012 ASP OD2
H A 0019 ARG NH2 11.83 C B 0029 ASP OD1
H A 0019 ARG NH1 7.432 H B 0039 ASP OD1
H A 0019 ARG NH1 6.389 H B 0039 ASP OD2
H A 0019 ARG NH2 8.039 H B 0039 ASP OD1
H A 0019 ARG NH2 6.692 H B 0039 ASP OD2
H A 0020 LYS NZ 10.71 C B 0072 GLU OE1
H A 0020 LYS NZ 11.03 C B 0072 GLU OE2
C A 0029 ASP OD1 11.75 H B 0019 ARG NH2
C A 0029 ASP OD1 6.124 H B 0046 ARG NH1
C A 0029 ASP OD1 6.060 H B 0046 ARG NH2
C A 0029 ASP OD2 4.281 H B 0046 ARG NH1
C A 0029 ASP OD2 4.592 H B 0046 ARG NH2
H A 0034 ASP OD2 11.41 H B 0046 ARG NH2
H A 0035 ARG NH1 5.003 H B 0012 ASP OD1
H A 0035 ARG NH1 4.596 H B 0012 ASP OD2
H A 0035 ARG NH2 3.341 H B 0012 ASP OD1
H A 0035 ARG NH2 3.987 H B 0012 ASP OD2
H A 0035 ARG NH1 4.580 H B 0039 ASP OD1
H A 0035 ARG NH1 4.853 H B 0039 ASP OD2
H A 0035 ARG NH2 5.728 H B 0039 ASP OD1
H A 0035 ARG NH2 5.065 H B 0039 ASP OD2
H A 0039 ASP OD1 7.554 H B 0019 ARG NH1
H A 0039 ASP OD1 8.448 H B 0019 ARG NH2
H A 0039 ASP OD2 6.462 H B 0019 ARG NH1
H A 0039 ASP OD2 7.126 H B 0019 ARG NH2
H A 0039 ASP OD1 4.671 H B 0035 ARG NH1
H A 0039 ASP OD1 5.737 H B 0035 ARG NH2
H A 0039 ASP OD2 4.916 H B 0035 ARG NH1
H A 0039 ASP OD2 5.048 H B 0035 ARG NH2
H A 0046 ARG NH1 6.138 C B 0029 ASP OD1
H A 0046 ARG NH1 4.318 C B 0029 ASP OD2
H A 0046 ARG NH2 6.100 C B 0029 ASP OD1
H A 0046 ARG NH2 4.625 C B 0029 ASP OD2
H A 0046 ARG NH2 11.47 H B 0034 ASP OD2
H A 0059 HIS ND1 11.91 C B 0072 GLU OE1
H A 0059 HIS ND1 11.21 C B 0072 GLU OE2
H A 0059 HIS NE2 10.14 C B 0072 GLU OE1
H A 0059 HIS NE2 9.578 C B 0072 GLU OE2
H A 0062 LYS NZ 10.70 H B 0066 GLU OE1
H A 0062 LYS NZ 9.659 H B 0066 GLU OE2
H A 0062 LYS NZ 10.96 C B 0072 GLU OE2
H A 0066 GLU OE1 10.79 H B 0062 LYS NZ
H A 0066 GLU OE2 9.750 H B 0062 LYS NZ
H A 0066 GLU OE2 11.20 H B 0070 LYS NZ
H A 0070 LYS NZ 11.35 H B 0066 GLU OE2
C A 0071 GLU OE1 11.72 H B 0017 HIS ND1
C A 0071 GLU OE1 10.54 H B 0017 HIS NE2
C A 0072 GLU OE1 7.088 H B 0017 HIS ND1
C A 0072 GLU OE1 5.536 H B 0017 HIS NE2
C A 0072 GLU OE2 5.617 H B 0017 HIS ND1
C A 0072 GLU OE2 4.550 H B 0017 HIS NE2
C A 0072 GLU OE1 10.61 H B 0020 LYS NZ
C A 0072 GLU OE2 10.97 H B 0020 LYS NZ
C A 0072 GLU OE1 11.90 H B 0059 HIS ND1
C A 0072 GLU OE1 10.19 H B 0059 HIS NE2
C A 0072 GLU OE2 11.25 H B 0059 HIS ND1
C A 0072 GLU OE2 9.688 H B 0059 HIS NE2
C A 0072 GLU OE2 11.02 H B 0062 LYS NZ
CHARGE_REPU 2.00 12.00 83
C A 0002 ASP OD1 10.37 C B 0029 ASP OD1
C A 0002 ASP OD1 9.475 C B 0029 ASP OD2
C A 0002 ASP OD2 8.414 C B 0029 ASP OD1
C A 0002 ASP OD2 7.780 C B 0029 ASP OD2
H A 0012 ASP OD1 10.90 H B 0012 ASP OD1
H A 0012 ASP OD1 7.533 C B 0029 ASP OD1
H A 0012 ASP OD1 7.653 C B 0029 ASP OD2
H A 0012 ASP OD2 6.988 C B 0029 ASP OD1
H A 0012 ASP OD2 6.678 C B 0029 ASP OD2
H A 0012 ASP OD1 9.279 H B 0039 ASP OD1
H A 0012 ASP OD1 8.391 H B 0039 ASP OD2
H A 0012 ASP OD2 10.17 H B 0039 ASP OD1
H A 0012 ASP OD2 9.714 H B 0039 ASP OD2
H A 0019 ARG NH1 4.296 H B 0019 ARG NH1
H A 0019 ARG NH1 4.092 H B 0019 ARG NH2
H A 0019 ARG NH2 3.719 H B 0019 ARG NH1
H A 0019 ARG NH2 3.904 H B 0019 ARG NH2
H A 0019 ARG NH1 6.112 H B 0035 ARG NH1
H A 0019 ARG NH1 5.173 H B 0035 ARG NH2
H A 0019 ARG NH2 6.000 H B 0035 ARG NH1
H A 0019 ARG NH2 4.378 H B 0035 ARG NH2
H A 0024 ASP OD1 8.845 C B 0071 GLU OE1
H A 0024 ASP OD1 10.67 C B 0071 GLU OE2
H A 0024 ASP OD2 9.061 C B 0071 GLU OE1
H A 0024 ASP OD2 10.82 C B 0071 GLU OE2
H A 0024 ASP OD1 8.472 C B 0072 GLU OE1
H A 0024 ASP OD1 9.157 C B 0072 GLU OE2
H A 0024 ASP OD2 8.154 C B 0072 GLU OE1
H A 0024 ASP OD2 8.339 C B 0072 GLU OE2
C A 0026 GLU OE1 11.88 C B 0071 GLU OE1
C A 0026 GLU OE2 11.86 C B 0071 GLU OE1
C A 0029 ASP OD1 10.36 C B 0002 ASP OD1
C A 0029 ASP OD1 8.402 C B 0002 ASP OD2
C A 0029 ASP OD2 9.443 C B 0002 ASP OD1
C A 0029 ASP OD2 7.681 C B 0002 ASP OD2
C A 0029 ASP OD1 7.535 H B 0012 ASP OD1
C A 0029 ASP OD1 6.980 H B 0012 ASP OD2
C A 0029 ASP OD2 7.638 H B 0012 ASP OD1
C A 0029 ASP OD2 6.647 H B 0012 ASP OD2
H A 0035 ARG NH1 5.918 H B 0019 ARG NH1
H A 0035 ARG NH1 5.906 H B 0019 ARG NH2
H A 0035 ARG NH2 5.012 H B 0019 ARG NH1
H A 0035 ARG NH2 4.385 H B 0019 ARG NH2
H A 0035 ARG NH1 7.301 H B 0035 ARG NH1
H A 0035 ARG NH1 7.316 H B 0035 ARG NH2
H A 0035 ARG NH2 7.404 H B 0035 ARG NH1
H A 0035 ARG NH2 6.895 H B 0035 ARG NH2
H A 0035 ARG NH1 8.853 H B 0046 ARG NH1
H A 0035 ARG NH1 8.862 H B 0046 ARG NH2
H A 0035 ARG NH2 9.083 H B 0046 ARG NH1
H A 0035 ARG NH2 9.525 H B 0046 ARG NH2
H A 0039 ASP OD1 9.297 H B 0012 ASP OD1
H A 0039 ASP OD1 10.21 H B 0012 ASP OD2
H A 0039 ASP OD2 8.411 H B 0012 ASP OD1
H A 0039 ASP OD2 9.753 H B 0012 ASP OD2
H A 0039 ASP OD1 8.836 H B 0039 ASP OD1
H A 0039 ASP OD1 8.998 H B 0039 ASP OD2
H A 0039 ASP OD2 8.960 H B 0039 ASP OD1
H A 0039 ASP OD2 8.568 H B 0039 ASP OD2
H A 0046 ARG NH1 8.707 H B 0035 ARG NH1
H A 0046 ARG NH1 8.964 H B 0035 ARG NH2
H A 0046 ARG NH2 8.797 H B 0035 ARG NH1
H A 0046 ARG NH2 9.495 H B 0035 ARG NH2
H A 0055 GLU OE1 11.25 C B 0072 GLU OE1
H A 0055 GLU OE1 11.48 C B 0072 GLU OE2
H A 0055 GLU OE2 11.71 C B 0072 GLU OE1
H A 0062 LYS NZ 8.890 H B 0062 LYS NZ
H A 0062 LYS NZ 10.23 H B 0070 LYS NZ
H A 0066 GLU OE1 11.53 H B 0066 GLU OE2
H A 0066 GLU OE2 11.53 H B 0066 GLU OE1
H A 0066 GLU OE2 10.18 H B 0066 GLU OE2
H A 0070 LYS NZ 10.44 H B 0062 LYS NZ
C A 0071 GLU OE1 8.820 H B 0024 ASP OD1
C A 0071 GLU OE1 9.089 H B 0024 ASP OD2
C A 0071 GLU OE2 10.68 H B 0024 ASP OD1
C A 0071 GLU OE2 10.87 H B 0024 ASP OD2
C A 0071 GLU OE1 11.64 C B 0026 GLU OE1
C A 0071 GLU OE1 11.65 C B 0026 GLU OE2
C A 0072 GLU OE1 8.348 H B 0024 ASP OD1
C A 0072 GLU OE1 8.030 H B 0024 ASP OD2
C A 0072 GLU OE2 9.057 H B 0024 ASP OD1
C A 0072 GLU OE2 8.249 H B 0024 ASP OD2
C A 0072 GLU OE1 11.89 H B 0055 GLU OE1
HB_MS 2.00 3.20 2
H A 0008 SER OG 2.616 C B 0027 LEU O
C A 0027 LEU O 2.576 H B 0008 SER OG
HB_SS 2.00 3.20 4
H A 0008 SER OG 3.106 C B 0029 ASP OD2
C A 0025 GLN NE2 3.083 C B 0071 GLU OE2
C A 0029 ASP OD2 3.136 H B 0008 SER OG
C A 0071 GLU OE2 2.983 C B 0025 GLN NE2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 274
C B 0001 MET C 2.448 C B 0002 ASP CA
C B 0001 MET C 3.057 C B 0002 ASP C
C B 0001 MET C 3.734 C B 0002 ASP CB
C B 0001 MET CE 3.516 H B 0006 VAL CG2
C B 0001 MET CE 3.320 C B 0050 LEU CD2
C B 0002 ASP C 2.447 C B 0003 SER CA
C B 0002 ASP C 3.091 C B 0003 SER C
C B 0002 ASP C 3.727 C B 0003 SER CB
C B 0003 SER C 2.448 C B 0004 ASN CA
C B 0003 SER C 2.906 C B 0004 ASN C
C B 0003 SER C 3.732 C B 0004 ASN CB
C B 0004 ASN C 2.448 H B 0005 THR CA
C B 0004 ASN C 3.037 H B 0005 THR C
C B 0004 ASN C 3.700 H B 0005 THR CB
H B 0005 THR C 2.448 H B 0006 VAL CA
H B 0005 THR C 3.028 H B 0006 VAL C
H B 0005 THR C 3.718 H B 0006 VAL CB
H B 0006 VAL C 2.448 H B 0007 SER CA
H B 0006 VAL C 3.001 H B 0007 SER C
H B 0006 VAL C 3.741 H B 0007 SER CB
H B 0007 SER C 2.448 H B 0008 SER CA
H B 0007 SER C 2.934 H B 0008 SER C
H B 0007 SER C 3.742 H B 0008 SER CB
H B 0008 SER C 2.447 H B 0009 PHE CA
H B 0008 SER C 3.039 H B 0009 PHE C
H B 0008 SER C 3.721 H B 0009 PHE CB
H B 0009 PHE C 2.448 H B 0010 GLN CA
H B 0009 PHE C 2.928 H B 0010 GLN C
H B 0009 PHE C 3.744 H B 0010 GLN CB
H B 0009 PHE CD1 3.325 H B 0046 ARG CD
H B 0009 PHE CE1 2.922 H B 0046 ARG CB
H B 0009 PHE CE1 3.595 H B 0046 ARG CG
H B 0009 PHE CE1 3.204 H B 0046 ARG CD
H B 0009 PHE CZ 3.608 H B 0046 ARG C
H B 0009 PHE CZ 2.903 H B 0046 ARG CB
H B 0009 PHE CG 3.755 C B 0050 LEU CD1
H B 0009 PHE CD2 3.176 C B 0050 LEU CD1
H B 0009 PHE CE2 3.341 C B 0050 LEU CD1
H B 0010 GLN C 2.448 H B 0011 VAL CA
H B 0010 GLN C 3.015 H B 0011 VAL C
H B 0010 GLN C 3.721 H B 0011 VAL CB
H B 0010 GLN CD 3.641 H B 0060 VAL CG1
H B 0011 VAL C 2.448 H B 0012 ASP CA
H B 0011 VAL C 2.940 H B 0012 ASP C
H B 0011 VAL C 3.736 H B 0012 ASP CB
H B 0012 ASP C 2.448 H B 0013 CYS CA
H B 0012 ASP C 3.008 H B 0013 CYS C
H B 0012 ASP C 3.735 H B 0013 CYS CB
H B 0013 CYS C 2.448 H B 0014 PHE CA
H B 0013 CYS C 2.935 H B 0014 PHE C
H B 0013 CYS C 3.725 H B 0014 PHE CB
H B 0014 PHE C 2.448 H B 0015 LEU CA
H B 0014 PHE C 2.962 H B 0015 LEU C
H B 0014 PHE C 3.730 H B 0015 LEU CB
H B 0014 PHE CD1 3.653 H B 0062 LYS CA
H B 0014 PHE CE1 3.452 H B 0062 LYS CA
H B 0014 PHE CE1 3.515 H B 0062 LYS CB
H B 0014 PHE CD2 3.636 H B 0065 VAL CG2
H B 0014 PHE CE2 3.477 H B 0065 VAL CG2
H B 0015 LEU C 2.448 H B 0016 TRP CA
H B 0015 LEU C 2.899 H B 0016 TRP C
H B 0015 LEU C 3.727 H B 0016 TRP CB
H B 0016 TRP C 2.447 H B 0017 HIS CA
H B 0016 TRP C 2.985 H B 0017 HIS C
H B 0016 TRP C 3.734 H B 0017 HIS CB
H B 0016 TRP CE3 3.790 H B 0017 HIS CA
H B 0016 TRP CG 3.637 H B 0036 LEU CD1
H B 0016 TRP CD1 3.135 H B 0036 LEU CD1
H B 0016 TRP CE2 3.621 H B 0036 LEU CD1
H B 0016 TRP CE2 3.588 H B 0040 GLN CD
H B 0016 TRP CZ2 3.035 H B 0040 GLN CD
H B 0016 TRP CH2 3.774 H B 0040 GLN CD
H B 0017 HIS C 2.448 H B 0018 VAL CA
H B 0017 HIS C 2.893 H B 0018 VAL C
H B 0017 HIS C 3.723 H B 0018 VAL CB
H B 0017 HIS CB 3.702 H B 0058 THR CG2
H B 0018 VAL C 2.448 H B 0019 ARG CA
H B 0018 VAL C 2.971 H B 0019 ARG C
H B 0018 VAL C 3.744 H B 0019 ARG CB
H B 0019 ARG C 2.447 H B 0020 LYS CA
H B 0019 ARG C 2.914 H B 0020 LYS C
H B 0019 ARG C 3.731 H B 0020 LYS CB
H B 0019 ARG CA 3.453 H B 0032 PHE CZ
H B 0019 ARG C 3.619 H B 0032 PHE CZ
H B 0019 ARG CB 3.371 H B 0032 PHE CE1
H B 0019 ARG CB 3.353 H B 0032 PHE CZ
H B 0019 ARG CG 3.366 H B 0032 PHE CE1
H B 0019 ARG CG 3.777 H B 0032 PHE CZ
H B 0019 ARG CD 3.605 H B 0032 PHE CE1
H B 0019 ARG CB 3.749 H B 0036 LEU CD1
H B 0020 LYS C 2.448 H B 0021 GLN CA
H B 0020 LYS C 3.078 H B 0021 GLN C
H B 0020 LYS C 3.729 H B 0021 GLN CB
H B 0021 GLN C 2.447 H B 0022 VAL CA
H B 0021 GLN C 3.031 H B 0022 VAL C
H B 0021 GLN C 3.717 H B 0022 VAL CB
H B 0022 VAL C 2.449 H B 0023 VAL CA
H B 0022 VAL C 3.082 H B 0023 VAL C
H B 0022 VAL C 3.708 H B 0023 VAL CB
H B 0022 VAL CB 3.715 H B 0032 PHE CE2
H B 0022 VAL CG1 3.433 H B 0032 PHE CE2
H B 0023 VAL C 2.448 H B 0024 ASP CA
H B 0023 VAL C 3.011 H B 0024 ASP C
H B 0023 VAL C 3.738 H B 0024 ASP CB
H B 0023 VAL CG2 3.681 H B 0032 PHE CD2
H B 0023 VAL CG2 3.078 H B 0032 PHE CE2
H B 0023 VAL CG2 3.663 H B 0032 PHE CZ
H B 0023 VAL CG2 3.791 H B 0036 LEU CD2
H B 0024 ASP C 2.448 C B 0025 GLN CA
H B 0024 ASP C 3.188 C B 0025 GLN C
H B 0024 ASP C 3.696 C B 0025 GLN CB
C B 0025 GLN C 2.448 C B 0026 GLU CA
C B 0025 GLN C 3.003 C B 0026 GLU C
C B 0025 GLN C 3.026 C B 0026 GLU CB
C B 0025 GLN C 3.415 C B 0026 GLU CG
C B 0025 GLN CB 3.389 C B 0027 LEU CD1
C B 0026 GLU C 2.448 C B 0027 LEU CA
C B 0026 GLU C 3.575 C B 0027 LEU C
C B 0026 GLU C 3.357 C B 0027 LEU CB
C B 0026 GLU C 3.384 C B 0027 LEU CG
C B 0027 LEU C 2.448 C B 0028 GLY CA
C B 0027 LEU C 3.220 C B 0028 GLY C
C B 0028 GLY C 2.448 C B 0029 ASP CA
C B 0028 GLY C 3.206 C B 0029 ASP C
C B 0028 GLY C 3.698 C B 0029 ASP CB
C B 0029 ASP C 2.448 C B 0030 ALA CA
C B 0029 ASP C 3.714 C B 0030 ALA C
C B 0029 ASP C 2.960 C B 0030 ALA CB
C B 0029 ASP C 3.558 H B 0031 PRO CD
C B 0029 ASP CB 3.505 H B 0031 PRO CD
C B 0029 ASP CG 3.442 H B 0031 PRO CD
C B 0030 ALA CA 2.840 H B 0031 PRO CD
C B 0030 ALA C 2.465 H B 0031 PRO CA
C B 0030 ALA C 3.162 H B 0031 PRO C
C B 0030 ALA C 3.641 H B 0031 PRO CB
C B 0030 ALA C 3.658 H B 0031 PRO CG
C B 0030 ALA C 2.472 H B 0031 PRO CD
C B 0030 ALA CB 3.104 H B 0031 PRO CD
H B 0031 PRO C 2.448 H B 0032 PHE CA
H B 0031 PRO C 3.012 H B 0032 PHE C
H B 0031 PRO C 3.725 H B 0032 PHE CB
H B 0031 PRO C 3.764 H B 0035 ARG CD
H B 0032 PHE C 2.448 H B 0033 LEU CA
H B 0032 PHE C 3.021 H B 0033 LEU C
H B 0032 PHE C 3.724 H B 0033 LEU CB
H B 0033 LEU C 2.448 H B 0034 ASP CA
H B 0033 LEU C 2.935 H B 0034 ASP C
H B 0033 LEU C 3.736 H B 0034 ASP CB
H B 0034 ASP C 2.448 H B 0035 ARG CA
H B 0034 ASP C 3.015 H B 0035 ARG C
H B 0034 ASP C 3.742 H B 0035 ARG CB
H B 0035 ARG C 2.448 H B 0036 LEU CA
H B 0035 ARG C 2.982 H B 0036 LEU C
H B 0035 ARG C 3.729 H B 0036 LEU CB
H B 0036 LEU C 2.447 H B 0037 ARG CA
H B 0036 LEU C 3.002 H B 0037 ARG C
H B 0036 LEU C 3.743 H B 0037 ARG CB
H B 0037 ARG C 2.448 H B 0038 ARG CA
H B 0037 ARG C 2.960 H B 0038 ARG C
H B 0037 ARG C 3.744 H B 0038 ARG CB
H B 0038 ARG C 2.448 H B 0039 ASP CA
H B 0038 ARG C 3.077 H B 0039 ASP C
H B 0038 ARG C 3.731 H B 0039 ASP CB
H B 0039 ASP C 2.448 H B 0040 GLN CA
H B 0039 ASP C 3.012 H B 0040 GLN C
H B 0039 ASP C 3.740 H B 0040 GLN CB
H B 0040 GLN C 2.448 H B 0041 LYS CA
H B 0040 GLN C 2.961 H B 0041 LYS C
H B 0040 GLN C 3.730 H B 0041 LYS CB
H B 0040 GLN CG 3.551 H B 0044 ARG CD
H B 0041 LYS C 2.449 H B 0042 SER CA
H B 0041 LYS C 3.048 H B 0042 SER C
H B 0041 LYS C 3.736 H B 0042 SER CB
H B 0042 SER C 2.448 H B 0043 LEU CA
H B 0042 SER C 3.016 H B 0043 LEU C
H B 0042 SER C 3.725 H B 0043 LEU CB
H B 0043 LEU C 2.447 H B 0044 ARG CA
H B 0043 LEU C 3.048 H B 0044 ARG C
H B 0043 LEU C 3.739 H B 0044 ARG CB
H B 0044 ARG C 2.448 H B 0045 GLY CA
H B 0044 ARG C 3.015 H B 0045 GLY C
H B 0045 GLY C 2.448 H B 0046 ARG CA
H B 0045 GLY C 3.069 H B 0046 ARG C
H B 0045 GLY C 3.736 H B 0046 ARG CB
H B 0046 ARG C 2.447 H B 0047 GLY CA
H B 0046 ARG C 2.995 H B 0047 GLY C
H B 0047 GLY C 2.448 H B 0048 SER CA
H B 0047 GLY C 3.122 H B 0048 SER C
H B 0047 GLY C 3.719 H B 0048 SER CB
H B 0047 GLY CA 3.701 H B 0054 ILE CD1
H B 0048 SER C 2.448 H B 0049 THR CA
H B 0048 SER C 2.958 H B 0049 THR C
H B 0048 SER C 3.709 H B 0049 THR CB
H B 0049 THR C 2.448 C B 0050 LEU CA
H B 0049 THR C 3.050 C B 0050 LEU C
H B 0049 THR C 3.718 C B 0050 LEU CB
C B 0050 LEU C 2.447 C B 0051 GLY CA
C B 0050 LEU C 3.025 C B 0051 GLY C
C B 0051 GLY C 2.448 C B 0052 LEU CA
C B 0051 GLY C 3.322 C B 0052 LEU C
C B 0051 GLY C 3.603 C B 0052 LEU CB
C B 0052 LEU C 2.448 C B 0053 ASN CA
C B 0052 LEU C 3.054 C B 0053 ASN C
C B 0052 LEU C 3.735 C B 0053 ASN CB
C B 0053 ASN C 2.448 H B 0054 ILE CA
C B 0053 ASN C 3.104 H B 0054 ILE C
C B 0053 ASN C 3.705 H B 0054 ILE CB
C B 0053 ASN C 3.756 H B 0054 ILE CD1
C B 0053 ASN CB 3.789 H B 0056 ALA CB
H B 0054 ILE C 2.448 H B 0055 GLU CA
H B 0054 ILE C 2.981 H B 0055 GLU C
H B 0054 ILE C 3.743 H B 0055 GLU CB
H B 0054 ILE C 3.791 H B 0057 ALA CB
H B 0055 GLU C 2.448 H B 0056 ALA CA
H B 0055 GLU C 3.041 H B 0056 ALA C
H B 0055 GLU C 3.721 H B 0056 ALA CB
H B 0056 ALA C 2.448 H B 0057 ALA CA
H B 0056 ALA C 2.997 H B 0057 ALA C
H B 0056 ALA C 3.721 H B 0057 ALA CB
H B 0057 ALA C 2.447 H B 0058 THR CA
H B 0057 ALA C 2.978 H B 0058 THR C
H B 0057 ALA C 3.707 H B 0058 THR CB
H B 0058 THR C 2.448 H B 0059 HIS CA
H B 0058 THR C 3.003 H B 0059 HIS C
H B 0058 THR C 3.733 H B 0059 HIS CB
H B 0059 HIS C 2.447 H B 0060 VAL CA
H B 0059 HIS C 2.953 H B 0060 VAL C
H B 0059 HIS C 3.725 H B 0060 VAL CB
H B 0060 VAL C 2.447 H B 0061 GLY CA
H B 0060 VAL C 2.971 H B 0061 GLY C
H B 0061 GLY C 2.448 H B 0062 LYS CA
H B 0061 GLY C 2.891 H B 0062 LYS C
H B 0061 GLY C 3.729 H B 0062 LYS CB
H B 0062 LYS C 2.447 H B 0063 GLN CA
H B 0062 LYS C 3.057 H B 0063 GLN C
H B 0062 LYS C 3.734 H B 0063 GLN CB
H B 0062 LYS CE 3.215 H B 0066 GLU CG
H B 0062 LYS CE 3.410 H B 0066 GLU CD
H B 0063 GLN C 2.448 H B 0064 ILE CA
H B 0063 GLN C 2.996 H B 0064 ILE C
H B 0063 GLN C 3.727 H B 0064 ILE CB
H B 0064 ILE C 2.448 H B 0065 VAL CA
H B 0064 ILE C 3.097 H B 0065 VAL C
H B 0064 ILE C 3.703 H B 0065 VAL CB
H B 0065 VAL C 2.448 H B 0066 GLU CA
H B 0065 VAL C 2.992 H B 0066 GLU C
H B 0065 VAL C 3.742 H B 0066 GLU CB
H B 0065 VAL CG1 3.586 H B 0069 LEU CD1
H B 0066 GLU C 2.448 H B 0067 LYS CA
H B 0066 GLU C 3.076 H B 0067 LYS C
H B 0066 GLU C 3.712 H B 0067 LYS CB
H B 0067 LYS C 2.448 H B 0068 ILE CA
H B 0067 LYS C 3.121 H B 0068 ILE C
H B 0067 LYS C 3.699 H B 0068 ILE CB
H B 0067 LYS C 3.715 C B 0071 GLU CG
H B 0068 ILE C 2.447 H B 0069 LEU CA
H B 0068 ILE C 3.114 H B 0069 LEU C
H B 0068 ILE C 3.701 H B 0069 LEU CB
H B 0068 ILE CA 3.580 C B 0071 GLU CG
H B 0068 ILE CA 3.767 C B 0071 GLU CD
H B 0068 ILE C 3.632 C B 0071 GLU CG
H B 0069 LEU C 2.448 H B 0070 LYS CA
H B 0069 LEU C 3.034 H B 0070 LYS C
H B 0069 LEU C 3.722 H B 0070 LYS CB
H B 0070 LYS C 2.448 C B 0071 GLU CA
H B 0070 LYS C 3.144 C B 0071 GLU C
H B 0070 LYS C 3.712 C B 0071 GLU CB
C B 0071 GLU C 2.448 C B 0072 GLU CA
C B 0071 GLU C 3.711 C B 0072 GLU C
C B 0071 GLU C 3.081 C B 0072 GLU CB
C B 0071 GLU C 3.380 C B 0072 GLU CG
C B 0072 GLU C 2.448 C B 0073 SER CA
C B 0072 GLU C 2.873 C B 0073 SER C
C B 0072 GLU C 3.734 C B 0073 SER CB
CHARGE_ATTR 2.00 12.00 82
C B 0002 ASP OD1 11.37 H B 0046 ARG NH1
C B 0002 ASP OD1 10.89 H B 0046 ARG NH2
C B 0002 ASP OD2 9.948 H B 0046 ARG NH1
C B 0002 ASP OD2 9.267 H B 0046 ARG NH2
H B 0012 ASP OD1 6.259 H B 0019 ARG NH1
H B 0012 ASP OD1 4.401 H B 0019 ARG NH2
H B 0012 ASP OD2 7.375 H B 0019 ARG NH1
H B 0012 ASP OD2 5.861 H B 0019 ARG NH2
H B 0012 ASP OD1 10.29 H B 0035 ARG NH1
H B 0012 ASP OD1 9.245 H B 0035 ARG NH2
H B 0012 ASP OD2 11.08 H B 0035 ARG NH1
H B 0012 ASP OD2 10.31 H B 0035 ARG NH2
H B 0012 ASP OD1 7.488 H B 0046 ARG NH1
H B 0012 ASP OD1 8.684 H B 0046 ARG NH2
H B 0012 ASP OD2 5.592 H B 0046 ARG NH1
H B 0012 ASP OD2 6.711 H B 0046 ARG NH2
H B 0024 ASP OD1 11.10 H B 0017 HIS ND1
H B 0024 ASP OD1 9.169 H B 0017 HIS NE2
H B 0024 ASP OD2 9.373 H B 0017 HIS ND1
H B 0024 ASP OD2 7.613 H B 0017 HIS NE2
H B 0024 ASP OD1 4.853 H B 0020 LYS NZ
H B 0024 ASP OD2 3.946 H B 0020 LYS NZ
C B 0026 GLU OE2 11.41 H B 0020 LYS NZ
C B 0029 ASP OD1 10.87 H B 0019 ARG NH1
C B 0029 ASP OD2 11.89 H B 0019 ARG NH1
C B 0029 ASP OD1 8.952 H B 0035 ARG NH1
C B 0029 ASP OD1 8.450 H B 0035 ARG NH2
C B 0029 ASP OD2 9.438 H B 0035 ARG NH1
C B 0029 ASP OD2 9.093 H B 0035 ARG NH2
C B 0029 ASP OD1 10.46 H B 0037 ARG NH1
H B 0034 ASP OD1 11.49 H B 0019 ARG NH1
H B 0034 ASP OD1 9.903 H B 0035 ARG NH1
H B 0034 ASP OD1 10.47 H B 0035 ARG NH2
H B 0034 ASP OD2 9.380 H B 0035 ARG NH1
H B 0034 ASP OD2 10.33 H B 0035 ARG NH2
H B 0034 ASP OD1 3.832 H B 0037 ARG NH1
H B 0034 ASP OD1 4.767 H B 0037 ARG NH2
H B 0034 ASP OD2 5.124 H B 0037 ARG NH1
H B 0034 ASP OD2 6.293 H B 0037 ARG NH2
H B 0034 ASP OD1 5.188 H B 0038 ARG NH1
H B 0034 ASP OD1 5.876 H B 0038 ARG NH2
H B 0034 ASP OD2 5.311 H B 0038 ARG NH1
H B 0034 ASP OD2 6.631 H B 0038 ARG NH2
H B 0039 ASP OD1 4.863 H B 0019 ARG NH1
H B 0039 ASP OD1 5.952 H B 0019 ARG NH2
H B 0039 ASP OD2 3.247 H B 0019 ARG NH1
H B 0039 ASP OD2 3.947 H B 0019 ARG NH2
H B 0039 ASP OD1 6.694 H B 0035 ARG NH1
H B 0039 ASP OD1 6.314 H B 0035 ARG NH2
H B 0039 ASP OD2 7.041 H B 0035 ARG NH1
H B 0039 ASP OD2 5.943 H B 0035 ARG NH2
H B 0039 ASP OD1 11.09 H B 0037 ARG NH1
H B 0039 ASP OD1 11.95 H B 0037 ARG NH2
H B 0039 ASP OD1 9.695 H B 0038 ARG NH1
H B 0039 ASP OD1 10.60 H B 0038 ARG NH2
H B 0039 ASP OD2 11.84 H B 0038 ARG NH1
H B 0039 ASP OD1 11.41 H B 0046 ARG NH1
H B 0039 ASP OD1 11.71 H B 0046 ARG NH2
H B 0039 ASP OD2 11.10 H B 0046 ARG NH1
H B 0039 ASP OD2 11.81 H B 0046 ARG NH2
H B 0055 GLU OE1 9.568 H B 0017 HIS ND1
H B 0055 GLU OE1 9.256 H B 0017 HIS NE2
H B 0055 GLU OE2 10.29 H B 0017 HIS ND1
H B 0055 GLU OE2 9.760 H B 0017 HIS NE2
H B 0055 GLU OE1 7.579 H B 0059 HIS ND1
H B 0055 GLU OE1 6.022 H B 0059 HIS NE2
H B 0055 GLU OE2 9.654 H B 0059 HIS ND1
H B 0055 GLU OE2 8.016 H B 0059 HIS NE2
H B 0066 GLU OE1 10.16 H B 0059 HIS ND1
H B 0066 GLU OE1 11.29 H B 0059 HIS NE2
H B 0066 GLU OE1 2.823 H B 0062 LYS NZ
H B 0066 GLU OE2 3.721 H B 0062 LYS NZ
H B 0066 GLU OE1 8.087 H B 0067 LYS NZ
H B 0066 GLU OE2 8.968 H B 0067 LYS NZ
H B 0066 GLU OE1 8.644 H B 0070 LYS NZ
H B 0066 GLU OE2 6.840 H B 0070 LYS NZ
C B 0071 GLU OE1 10.60 H B 0067 LYS NZ
C B 0071 GLU OE2 8.426 H B 0067 LYS NZ
C B 0071 GLU OE1 10.63 H B 0070 LYS NZ
C B 0071 GLU OE2 10.01 H B 0070 LYS NZ
C B 0072 GLU OE1 11.83 H B 0070 LYS NZ
C B 0072 GLU OE2 11.12 H B 0070 LYS NZ
CHARGE_REPU 2.00 12.00 52
H B 0012 ASP OD1 7.529 H B 0039 ASP OD1
H B 0012 ASP OD1 6.168 H B 0039 ASP OD2
H B 0012 ASP OD2 7.154 H B 0039 ASP OD1
H B 0012 ASP OD2 6.249 H B 0039 ASP OD2
H B 0017 HIS ND1 11.53 H B 0019 ARG NH2
H B 0017 HIS ND1 10.51 H B 0020 LYS NZ
H B 0017 HIS NE2 8.850 H B 0020 LYS NZ
H B 0017 HIS ND1 8.629 H B 0059 HIS ND1
H B 0017 HIS ND1 7.058 H B 0059 HIS NE2
H B 0017 HIS NE2 9.624 H B 0059 HIS ND1
H B 0017 HIS NE2 7.762 H B 0059 HIS NE2
H B 0017 HIS ND1 10.32 H B 0062 LYS NZ
H B 0017 HIS NE2 11.85 H B 0062 LYS NZ
H B 0019 ARG NH1 5.661 H B 0035 ARG NH1
H B 0019 ARG NH1 3.807 H B 0035 ARG NH2
H B 0019 ARG NH2 7.644 H B 0035 ARG NH1
H B 0019 ARG NH2 5.891 H B 0035 ARG NH2
H B 0019 ARG NH2 11.40 H B 0046 ARG NH1
H B 0020 LYS NZ 9.854 H B 0044 ARG NH1
H B 0020 LYS NZ 11.91 H B 0044 ARG NH2
H B 0024 ASP OD1 9.576 C B 0026 GLU OE1
H B 0024 ASP OD1 7.995 C B 0026 GLU OE2
H B 0024 ASP OD2 10.87 C B 0026 GLU OE1
H B 0024 ASP OD2 9.480 C B 0026 GLU OE2
C B 0029 ASP OD1 10.41 H B 0034 ASP OD1
C B 0029 ASP OD1 9.833 H B 0034 ASP OD2
C B 0029 ASP OD2 11.37 H B 0034 ASP OD2
H B 0034 ASP OD1 8.457 H B 0039 ASP OD1
H B 0034 ASP OD1 10.04 H B 0039 ASP OD2
H B 0034 ASP OD2 9.408 H B 0039 ASP OD1
H B 0034 ASP OD2 11.03 H B 0039 ASP OD2
H B 0035 ARG NH1 11.70 H B 0038 ARG NH1
H B 0037 ARG NH1 8.326 H B 0038 ARG NH1
H B 0037 ARG NH1 8.200 H B 0038 ARG NH2
H B 0037 ARG NH2 7.987 H B 0038 ARG NH1
H B 0037 ARG NH2 7.233 H B 0038 ARG NH2
H B 0037 ARG NH2 11.00 H B 0041 LYS NZ
H B 0037 ARG NH2 11.49 H B 0044 ARG NH1
H B 0037 ARG NH2 11.73 H B 0044 ARG NH2
H B 0038 ARG NH1 11.47 H B 0041 LYS NZ
H B 0038 ARG NH2 9.594 H B 0041 LYS NZ
H B 0041 LYS NZ 6.485 H B 0044 ARG NH1
H B 0041 LYS NZ 4.861 H B 0044 ARG NH2
H B 0059 HIS ND1 10.04 H B 0062 LYS NZ
H B 0059 HIS NE2 10.64 H B 0062 LYS NZ
H B 0062 LYS NZ 10.51 H B 0067 LYS NZ
H B 0062 LYS NZ 9.837 H B 0070 LYS NZ
H B 0067 LYS NZ 10.68 H B 0070 LYS NZ
C B 0071 GLU OE1 6.634 C B 0072 GLU OE1
C B 0071 GLU OE1 6.719 C B 0072 GLU OE2
C B 0071 GLU OE2 8.636 C B 0072 GLU OE1
C B 0071 GLU OE2 8.426 C B 0072 GLU OE2
HB_MM 2.00 3.20 157
C B 0002 ASP N 2.293 C B 0001 MET O
C B 0003 SER N 2.293 C B 0002 ASP O
C B 0004 ASN N 2.294 C B 0003 SER O
H B 0005 THR N 2.983 C B 0003 SER O
H B 0005 THR N 2.293 C B 0004 ASN O
H B 0006 VAL N 2.667 C B 0003 SER O
H B 0006 VAL N 2.293 H B 0005 THR O
H B 0007 SER N 2.923 C B 0003 SER O
H B 0007 SER N 2.294 H B 0006 VAL O
H B 0008 SER N 2.837 C B 0004 ASN O
H B 0008 SER N 2.293 H B 0007 SER O
H B 0009 PHE N 2.957 H B 0005 THR O
H B 0009 PHE N 3.175 H B 0006 VAL O
H B 0009 PHE N 3.116 H B 0007 SER O
H B 0009 PHE N 2.293 H B 0008 SER O
H B 0010 GLN N 2.921 H B 0006 VAL O
H B 0010 GLN N 2.967 H B 0007 SER O
H B 0010 GLN N 2.293 H B 0009 PHE O
H B 0011 VAL N 2.943 H B 0007 SER O
H B 0011 VAL N 3.167 H B 0009 PHE O
H B 0011 VAL N 2.294 H B 0010 GLN O
H B 0012 ASP N 2.999 H B 0008 SER O
H B 0012 ASP N 3.035 H B 0009 PHE O
H B 0012 ASP N 2.293 H B 0011 VAL O
H B 0013 CYS N 2.783 H B 0009 PHE O
H B 0013 CYS N 3.120 H B 0011 VAL O
H B 0013 CYS N 2.293 H B 0012 ASP O
H B 0014 PHE N 3.004 H B 0010 GLN O
H B 0014 PHE N 3.112 H B 0011 VAL O
H B 0014 PHE N 2.293 H B 0013 CYS O
H B 0015 LEU N 2.805 H B 0011 VAL O
H B 0015 LEU N 2.293 H B 0014 PHE O
H B 0016 TRP N 2.796 H B 0012 ASP O
H B 0016 TRP N 3.067 H B 0013 CYS O
H B 0016 TRP N 2.293 H B 0015 LEU O
H B 0017 HIS N 3.023 H B 0013 CYS O
H B 0017 HIS N 3.061 H B 0014 PHE O
H B 0017 HIS N 3.072 H B 0015 LEU O
H B 0017 HIS N 2.293 H B 0016 TRP O
H B 0018 VAL N 3.005 H B 0014 PHE O
H B 0018 VAL N 3.032 H B 0015 LEU O
H B 0018 VAL N 2.294 H B 0017 HIS O
H B 0019 ARG N 2.796 H B 0015 LEU O
H B 0019 ARG N 3.065 H B 0017 HIS O
H B 0019 ARG N 2.293 H B 0018 VAL O
H B 0020 LYS N 2.867 H B 0016 TRP O
H B 0020 LYS N 2.872 H B 0017 HIS O
H B 0020 LYS N 2.293 H B 0019 ARG O
H B 0021 GLN N 2.982 H B 0017 HIS O
H B 0021 GLN N 3.018 H B 0018 VAL O
H B 0021 GLN N 2.983 H B 0019 ARG O
H B 0021 GLN N 2.293 H B 0020 LYS O
H B 0022 VAL N 2.947 H B 0018 VAL O
H B 0022 VAL N 2.660 H B 0019 ARG O
H B 0022 VAL N 2.294 H B 0021 GLN O
H B 0023 VAL N 2.941 H B 0019 ARG O
H B 0023 VAL N 2.293 H B 0022 VAL O
H B 0024 ASP N 2.924 H B 0020 LYS O
H B 0024 ASP N 2.294 H B 0023 VAL O
C B 0025 GLN N 3.077 H B 0021 GLN O
C B 0025 GLN N 3.075 H B 0023 VAL O
C B 0025 GLN N 2.293 H B 0024 ASP O
C B 0026 GLU N 2.793 H B 0023 VAL O
C B 0026 GLU N 2.293 C B 0025 GLN O
C B 0027 LEU N 2.293 C B 0026 GLU O
C B 0028 GLY N 2.294 C B 0027 LEU O
C B 0029 ASP N 2.293 C B 0028 GLY O
C B 0030 ALA N 2.293 C B 0029 ASP O
H B 0031 PRO N 2.293 C B 0030 ALA O
H B 0032 PHE N 2.293 H B 0031 PRO O
H B 0033 LEU N 2.293 H B 0032 PHE O
H B 0034 ASP N 3.075 C B 0030 ALA O
H B 0034 ASP N 2.292 H B 0033 LEU O
H B 0035 ARG N 2.858 H B 0031 PRO O
H B 0035 ARG N 2.294 H B 0034 ASP O
H B 0036 LEU N 2.875 H B 0032 PHE O
H B 0036 LEU N 2.903 H B 0033 LEU O
H B 0036 LEU N 2.293 H B 0035 ARG O
H B 0037 ARG N 2.858 H B 0033 LEU O
H B 0037 ARG N 2.294 H B 0036 LEU O
H B 0038 ARG N 3.005 H B 0034 ASP O
H B 0038 ARG N 2.293 H B 0037 ARG O
H B 0039 ASP N 2.697 H B 0035 ARG O
H B 0039 ASP N 3.117 H B 0037 ARG O
H B 0039 ASP N 2.293 H B 0038 ARG O
H B 0040 GLN N 2.816 H B 0036 LEU O
H B 0040 GLN N 2.835 H B 0037 ARG O
H B 0040 GLN N 2.294 H B 0039 ASP O
H B 0041 LYS N 3.081 H B 0037 ARG O
H B 0041 LYS N 2.293 H B 0040 GLN O
H B 0042 SER N 3.158 H B 0038 ARG O
H B 0042 SER N 2.294 H B 0041 LYS O
H B 0043 LEU N 2.697 H B 0039 ASP O
H B 0043 LEU N 3.022 H B 0040 GLN O
H B 0043 LEU N 2.294 H B 0042 SER O
H B 0044 ARG N 2.753 H B 0040 GLN O
H B 0044 ARG N 2.294 H B 0043 LEU O
H B 0045 GLY N 3.054 H B 0041 LYS O
H B 0045 GLY N 3.171 H B 0042 SER O
H B 0045 GLY N 2.293 H B 0044 ARG O
H B 0046 ARG N 2.980 H B 0042 SER O
H B 0046 ARG N 2.293 H B 0045 GLY O
H B 0047 GLY N 2.708 H B 0043 LEU O
H B 0047 GLY N 2.293 H B 0046 ARG O
H B 0048 SER N 2.838 H B 0044 ARG O
H B 0048 SER N 2.293 H B 0047 GLY O
H B 0049 THR N 2.801 H B 0045 GLY O
H B 0049 THR N 2.293 H B 0048 SER O
C B 0050 LEU N 2.651 H B 0046 ARG O
C B 0050 LEU N 2.294 H B 0049 THR O
C B 0051 GLY N 2.655 H B 0047 GLY O
C B 0051 GLY N 3.194 H B 0048 SER O
C B 0051 GLY N 2.294 C B 0050 LEU O
C B 0052 LEU N 2.293 C B 0051 GLY O
C B 0053 ASN N 2.293 C B 0052 LEU O
H B 0054 ILE N 2.293 C B 0053 ASN O
H B 0055 GLU N 2.293 H B 0054 ILE O
H B 0056 ALA N 2.293 H B 0055 GLU O
H B 0057 ALA N 2.956 C B 0053 ASN O
H B 0057 ALA N 3.182 H B 0054 ILE O
H B 0057 ALA N 2.293 H B 0056 ALA O
H B 0058 THR N 2.774 H B 0054 ILE O
H B 0058 THR N 2.294 H B 0057 ALA O
H B 0059 HIS N 3.128 H B 0056 ALA O
H B 0059 HIS N 2.294 H B 0058 THR O
H B 0060 VAL N 3.016 H B 0056 ALA O
H B 0060 VAL N 3.152 H B 0057 ALA O
H B 0060 VAL N 2.293 H B 0059 HIS O
H B 0061 GLY N 2.970 H B 0057 ALA O
H B 0061 GLY N 2.294 H B 0060 VAL O
H B 0062 LYS N 2.975 H B 0058 THR O
H B 0062 LYS N 3.029 H B 0059 HIS O
H B 0062 LYS N 2.292 H B 0061 GLY O
H B 0063 GLN N 3.105 H B 0060 VAL O
H B 0063 GLN N 3.131 H B 0061 GLY O
H B 0063 GLN N 2.293 H B 0062 LYS O
H B 0064 ILE N 2.900 H B 0060 VAL O
H B 0064 ILE N 2.706 H B 0061 GLY O
H B 0064 ILE N 2.293 H B 0063 GLN O
H B 0065 VAL N 2.745 H B 0061 GLY O
H B 0065 VAL N 2.293 H B 0064 ILE O
H B 0066 GLU N 3.019 H B 0062 LYS O
H B 0066 GLU N 2.293 H B 0065 VAL O
H B 0067 LYS N 2.810 H B 0063 GLN O
H B 0067 LYS N 2.293 H B 0066 GLU O
H B 0068 ILE N 3.177 H B 0064 ILE O
H B 0068 ILE N 3.017 H B 0065 VAL O
H B 0068 ILE N 2.293 H B 0067 LYS O
H B 0069 LEU N 2.706 H B 0065 VAL O
H B 0069 LEU N 2.294 H B 0068 ILE O
H B 0070 LYS N 2.823 H B 0066 GLU O
H B 0070 LYS N 2.293 H B 0069 LEU O
C B 0071 GLU N 2.293 H B 0070 LYS O
C B 0072 GLU N 2.984 H B 0069 LEU O
C B 0072 GLU N 2.294 C B 0071 GLU O
C B 0073 SER N 2.870 H B 0069 LEU O
C B 0073 SER N 2.294 C B 0072 GLU O
HB_MS 2.00 3.20 8
C B 0004 ASN O 2.559 H B 0007 SER OG
C B 0004 ASN O 2.650 H B 0008 SER OG
H B 0008 SER N 3.038 H B 0007 SER OG
H B 0017 HIS O 2.683 H B 0021 GLN NE2
C B 0030 ALA N 3.127 C B 0029 ASP OD1
H B 0045 GLY O 2.681 H B 0049 THR OG1
H B 0054 ILE O 2.953 H B 0058 THR OG1
H B 0059 HIS O 2.621 H B 0063 GLN NE2
AROMATIC 0.00 8.00 3
H B 0019 ARG 6.800 H B 0032 PHE
H B 0035 ARG 6.307 H B 0032 PHE
H B 0020 LYS 6.562 H B 0016 TRP