Complet list of 1a93 con file
Complete list of 1a93.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 125
C A 0003 CYS CA 3.798 C A 0004 GLY CA
C A 0003 CYS C 2.429 C A 0004 GLY CA
C A 0003 CYS C 3.376 C A 0004 GLY C
C A 0003 CYS CA 3.664 H A 0006 VAL CG2
C A 0003 CYS CB 3.366 H A 0006 VAL CG2
C A 0004 GLY CA 3.798 C A 0005 GLY CA
C A 0004 GLY C 2.430 C A 0005 GLY CA
C A 0004 GLY C 3.600 C A 0005 GLY C
C A 0005 GLY CA 3.798 H A 0006 VAL CA
C A 0005 GLY C 2.429 H A 0006 VAL CA
C A 0005 GLY C 3.081 H A 0006 VAL C
C A 0005 GLY C 3.708 H A 0006 VAL CB
H A 0006 VAL C 2.430 H A 0007 GLN CA
H A 0006 VAL C 3.009 H A 0007 GLN C
H A 0006 VAL C 3.715 H A 0007 GLN CB
H A 0007 GLN CA 3.799 H A 0008 ALA CA
H A 0007 GLN C 2.430 H A 0008 ALA CA
H A 0007 GLN C 2.999 H A 0008 ALA C
H A 0007 GLN C 3.716 H A 0008 ALA CB
H A 0008 ALA CA 3.800 H A 0009 GLU CA
H A 0008 ALA C 2.429 H A 0009 GLU CA
H A 0008 ALA C 3.041 H A 0009 GLU C
H A 0008 ALA C 3.712 H A 0009 GLU CB
H A 0009 GLU CA 3.799 H A 0010 GLU CA
H A 0009 GLU C 2.430 H A 0010 GLU CA
H A 0009 GLU C 3.053 H A 0010 GLU C
H A 0009 GLU C 3.711 H A 0010 GLU CB
H A 0010 GLU CA 3.800 H A 0011 GLN CA
H A 0010 GLU C 2.430 H A 0011 GLN CA
H A 0010 GLU C 2.998 H A 0011 GLN C
H A 0010 GLU C 3.716 H A 0011 GLN CB
H A 0010 GLU C 3.555 H A 0014 ILE CD1
H A 0011 GLN CA 3.799 H A 0012 LYS CA
H A 0011 GLN C 2.429 H A 0012 LYS CA
H A 0011 GLN C 3.126 H A 0012 LYS C
H A 0011 GLN C 3.696 H A 0012 LYS CB
H A 0011 GLN CA 3.768 H A 0014 ILE CD1
H A 0012 LYS CA 3.800 H A 0013 LEU CA
H A 0012 LYS C 2.430 H A 0013 LEU CA
H A 0012 LYS C 2.996 H A 0013 LEU C
H A 0012 LYS C 3.716 H A 0013 LEU CB
H A 0013 LEU C 2.431 H A 0014 ILE CA
H A 0013 LEU C 3.026 H A 0014 ILE C
H A 0013 LEU C 3.717 H A 0014 ILE CB
H A 0014 ILE C 2.432 H A 0015 SER CA
H A 0014 ILE C 2.981 H A 0015 SER C
H A 0014 ILE C 3.716 H A 0015 SER CB
H A 0015 SER C 2.429 H A 0016 GLU CA
H A 0015 SER C 3.058 H A 0016 GLU C
H A 0015 SER C 3.709 H A 0016 GLU CB
H A 0016 GLU CA 3.798 H A 0017 GLU CA
H A 0016 GLU C 2.430 H A 0017 GLU CA
H A 0016 GLU C 3.046 H A 0017 GLU C
H A 0016 GLU C 3.712 H A 0017 GLU CB
H A 0017 GLU CA 3.799 H A 0018 ASP CA
H A 0017 GLU C 2.430 H A 0018 ASP CA
H A 0017 GLU C 2.996 H A 0018 ASP C
H A 0017 GLU C 3.718 H A 0018 ASP CB
H A 0018 ASP CA 3.800 H A 0019 LEU CA
H A 0018 ASP C 2.430 H A 0019 LEU CA
H A 0018 ASP C 2.997 H A 0019 LEU C
H A 0018 ASP C 3.716 H A 0019 LEU CB
H A 0019 LEU CA 3.797 H A 0020 LEU CA
H A 0019 LEU C 2.428 H A 0020 LEU CA
H A 0019 LEU C 3.036 H A 0020 LEU C
H A 0019 LEU C 3.710 H A 0020 LEU CB
H A 0020 LEU CA 3.799 H A 0021 ARG CA
H A 0020 LEU C 2.431 H A 0021 ARG CA
H A 0020 LEU C 3.012 H A 0021 ARG C
H A 0020 LEU C 3.717 H A 0021 ARG CB
H A 0021 ARG CA 3.799 H A 0022 LYS CA
H A 0021 ARG C 2.429 H A 0022 LYS CA
H A 0021 ARG C 3.015 H A 0022 LYS C
H A 0021 ARG C 3.715 H A 0022 LYS CB
H A 0022 LYS CA 3.798 H A 0023 ARG CA
H A 0022 LYS C 2.429 H A 0023 ARG CA
H A 0022 LYS C 3.094 H A 0023 ARG C
H A 0022 LYS C 3.703 H A 0023 ARG CB
H A 0023 ARG CA 3.799 H A 0024 ARG CA
H A 0023 ARG C 2.429 H A 0024 ARG CA
H A 0023 ARG C 2.998 H A 0024 ARG C
H A 0023 ARG C 3.716 H A 0024 ARG CB
H A 0023 ARG CG 3.779 H A 0027 LEU CD1
H A 0024 ARG CA 3.799 H A 0025 GLU CA
H A 0024 ARG C 2.429 H A 0025 GLU CA
H A 0024 ARG C 3.082 H A 0025 GLU C
H A 0024 ARG C 3.705 H A 0025 GLU CB
H A 0025 GLU CA 3.799 H A 0026 GLN CA
H A 0025 GLU C 2.428 H A 0026 GLN CA
H A 0025 GLU C 3.015 H A 0026 GLN C
H A 0025 GLU C 3.714 H A 0026 GLN CB
H A 0025 GLU C 3.361 H A 0029 HIS CD2
H A 0026 GLN CA 3.800 H A 0027 LEU CA
H A 0026 GLN C 2.430 H A 0027 LEU CA
H A 0026 GLN C 3.018 H A 0027 LEU C
H A 0026 GLN C 3.714 H A 0027 LEU CB
H A 0027 LEU CA 3.799 H A 0028 LYS CA
H A 0027 LEU C 2.430 H A 0028 LYS CA
H A 0027 LEU C 3.094 H A 0028 LYS C
H A 0027 LEU C 3.704 H A 0028 LYS CB
H A 0028 LYS CA 3.800 H A 0029 HIS CA
H A 0028 LYS C 2.430 H A 0029 HIS CA
H A 0028 LYS C 3.000 H A 0029 HIS C
H A 0028 LYS C 3.715 H A 0029 HIS CB
H A 0029 HIS CA 3.800 H A 0030 LYS CA
H A 0029 HIS C 2.430 H A 0030 LYS CA
H A 0029 HIS C 2.994 H A 0030 LYS C
H A 0029 HIS C 3.716 H A 0030 LYS CB
H A 0030 LYS CA 3.799 H A 0031 LEU CA
H A 0030 LYS C 2.429 H A 0031 LEU CA
H A 0030 LYS C 3.103 H A 0031 LEU C
H A 0030 LYS C 3.701 H A 0031 LEU CB
H A 0031 LEU CA 3.799 H A 0032 GLU CA
H A 0031 LEU C 2.430 H A 0032 GLU CA
H A 0031 LEU C 3.095 H A 0032 GLU C
H A 0031 LEU C 3.703 H A 0032 GLU CB
H A 0032 GLU CA 3.800 C A 0033 GLN CA
H A 0032 GLU C 2.430 C A 0033 GLN CA
H A 0032 GLU C 2.997 C A 0033 GLN C
H A 0032 GLU C 3.717 C A 0033 GLN CB
C A 0033 GLN CA 3.800 C A 0034 LEU CA
C A 0033 GLN C 2.429 C A 0034 LEU CA
C A 0033 GLN C 3.575 C A 0034 LEU C
C A 0033 GLN C 3.377 C A 0034 LEU CB
C A 0033 GLN C 3.514 C A 0034 LEU CG
CHARGE_ATTR 2.00 12.00 44
H A 0009 GLU OE1 8.454 H A 0012 LYS NZ
H A 0009 GLU OE2 9.123 H A 0012 LYS NZ
H A 0016 GLU OE1 6.370 H A 0012 LYS NZ
H A 0016 GLU OE2 8.302 H A 0012 LYS NZ
H A 0017 GLU OE1 3.422 H A 0021 ARG NH1
H A 0017 GLU OE1 5.564 H A 0021 ARG NH2
H A 0017 GLU OE2 5.379 H A 0021 ARG NH1
H A 0017 GLU OE2 7.571 H A 0021 ARG NH2
H A 0017 GLU OE1 9.345 H A 0024 ARG NH1
H A 0017 GLU OE1 10.69 H A 0024 ARG NH2
H A 0017 GLU OE2 10.22 H A 0024 ARG NH1
H A 0017 GLU OE2 11.21 H A 0024 ARG NH2
H A 0018 ASP OD1 5.780 H A 0021 ARG NH1
H A 0018 ASP OD1 5.390 H A 0021 ARG NH2
H A 0018 ASP OD2 4.310 H A 0021 ARG NH1
H A 0018 ASP OD2 4.248 H A 0021 ARG NH2
H A 0018 ASP OD1 7.156 H A 0022 LYS NZ
H A 0018 ASP OD2 9.043 H A 0022 LYS NZ
H A 0018 ASP OD1 10.87 H A 0024 ARG NH1
H A 0018 ASP OD2 11.19 H A 0024 ARG NH1
H A 0025 GLU OE1 9.140 H A 0021 ARG NH1
H A 0025 GLU OE1 7.385 H A 0021 ARG NH2
H A 0025 GLU OE2 10.08 H A 0021 ARG NH1
H A 0025 GLU OE2 8.210 H A 0021 ARG NH2
H A 0025 GLU OE1 6.538 H A 0022 LYS NZ
H A 0025 GLU OE2 8.388 H A 0022 LYS NZ
H A 0025 GLU OE1 7.933 H A 0024 ARG NH1
H A 0025 GLU OE1 10.00 H A 0024 ARG NH2
H A 0025 GLU OE2 7.766 H A 0024 ARG NH1
H A 0025 GLU OE2 9.557 H A 0024 ARG NH2
H A 0025 GLU OE1 10.13 H A 0028 LYS NZ
H A 0025 GLU OE2 8.703 H A 0028 LYS NZ
H A 0025 GLU OE1 7.287 H A 0029 HIS ND1
H A 0025 GLU OE1 5.214 H A 0029 HIS NE2
H A 0025 GLU OE2 6.144 H A 0029 HIS ND1
H A 0025 GLU OE2 4.247 H A 0029 HIS NE2
H A 0032 GLU OE1 11.21 H A 0024 ARG NH1
H A 0032 GLU OE1 11.48 H A 0024 ARG NH2
H A 0032 GLU OE1 6.442 H A 0028 LYS NZ
H A 0032 GLU OE2 7.745 H A 0028 LYS NZ
H A 0032 GLU OE1 4.484 H A 0029 HIS ND1
H A 0032 GLU OE1 6.204 H A 0029 HIS NE2
H A 0032 GLU OE2 6.292 H A 0029 HIS ND1
H A 0032 GLU OE2 8.063 H A 0029 HIS NE2
CHARGE_REPU 2.00 12.00 47
H A 0009 GLU OE1 10.93 H A 0010 GLU OE1
H A 0009 GLU OE1 10.21 H A 0010 GLU OE2
H A 0009 GLU OE2 10.91 H A 0010 GLU OE1
H A 0009 GLU OE2 10.18 H A 0010 GLU OE2
H A 0009 GLU OE1 9.568 H A 0016 GLU OE1
H A 0009 GLU OE1 10.39 H A 0016 GLU OE2
H A 0009 GLU OE2 11.28 H A 0016 GLU OE1
H A 0010 GLU OE1 11.13 H A 0017 GLU OE1
H A 0010 GLU OE1 10.65 H A 0017 GLU OE2
H A 0010 GLU OE2 11.60 H A 0017 GLU OE1
H A 0010 GLU OE2 10.74 H A 0017 GLU OE2
H A 0016 GLU OE1 10.91 H A 0017 GLU OE1
H A 0016 GLU OE1 10.54 H A 0017 GLU OE2
H A 0016 GLU OE2 10.57 H A 0017 GLU OE1
H A 0016 GLU OE2 10.04 H A 0017 GLU OE2
H A 0017 GLU OE1 7.026 H A 0018 ASP OD1
H A 0017 GLU OE1 5.881 H A 0018 ASP OD2
H A 0017 GLU OE2 9.038 H A 0018 ASP OD1
H A 0017 GLU OE2 7.922 H A 0018 ASP OD2
H A 0017 GLU OE1 11.33 H A 0025 GLU OE1
H A 0018 ASP OD1 7.490 H A 0025 GLU OE1
H A 0018 ASP OD1 9.374 H A 0025 GLU OE2
H A 0018 ASP OD2 8.582 H A 0025 GLU OE1
H A 0018 ASP OD2 10.19 H A 0025 GLU OE2
H A 0021 ARG NH2 10.75 H A 0022 LYS NZ
H A 0021 ARG NH1 8.861 H A 0024 ARG NH1
H A 0021 ARG NH1 10.49 H A 0024 ARG NH2
H A 0021 ARG NH2 8.595 H A 0024 ARG NH1
H A 0021 ARG NH2 10.40 H A 0024 ARG NH2
H A 0022 LYS NZ 11.05 H A 0023 ARG NH1
H A 0022 LYS NZ 11.21 H A 0029 HIS ND1
H A 0022 LYS NZ 9.238 H A 0029 HIS NE2
H A 0023 ARG NH1 9.416 H A 0030 LYS NZ
H A 0023 ARG NH2 8.433 H A 0030 LYS NZ
H A 0024 ARG NH1 6.299 H A 0028 LYS NZ
H A 0024 ARG NH2 5.659 H A 0028 LYS NZ
H A 0024 ARG NH1 10.66 H A 0029 HIS ND1
H A 0024 ARG NH1 9.949 H A 0029 HIS NE2
H A 0024 ARG NH2 11.74 H A 0029 HIS ND1
H A 0024 ARG NH2 11.38 H A 0029 HIS NE2
H A 0025 GLU OE1 10.40 H A 0032 GLU OE1
H A 0025 GLU OE2 8.684 H A 0032 GLU OE1
H A 0025 GLU OE2 10.54 H A 0032 GLU OE2
H A 0028 LYS NZ 8.423 H A 0029 HIS ND1
H A 0028 LYS NZ 8.934 H A 0029 HIS NE2
H A 0029 HIS ND1 11.05 H A 0030 LYS NZ
H A 0029 HIS NE2 11.74 H A 0030 LYS NZ
HB_MM 2.00 3.20 59
C A 0004 GLY N 2.252 C A 0003 CYS O
C A 0005 GLY N 2.252 C A 0004 GLY O
H A 0006 VAL N 2.252 C A 0005 GLY O
H A 0007 GLN N 2.252 H A 0006 VAL O
H A 0008 ALA N 2.252 H A 0007 GLN O
H A 0009 GLU N 3.037 C A 0005 GLY O
H A 0009 GLU N 2.252 H A 0008 ALA O
H A 0010 GLU N 2.685 H A 0006 VAL O
H A 0010 GLU N 2.252 H A 0009 GLU O
H A 0011 GLN N 2.623 H A 0007 GLN O
H A 0011 GLN N 2.252 H A 0010 GLU O
H A 0012 LYS N 3.046 H A 0008 ALA O
H A 0012 LYS N 2.252 H A 0011 GLN O
H A 0013 LEU N 2.904 H A 0009 GLU O
H A 0013 LEU N 3.180 H A 0010 GLU O
H A 0013 LEU N 2.252 H A 0012 LYS O
H A 0014 ILE N 2.972 H A 0010 GLU O
H A 0014 ILE N 2.252 H A 0013 LEU O
H A 0015 SER N 2.252 H A 0014 ILE O
H A 0016 GLU N 2.739 H A 0012 LYS O
H A 0016 GLU N 2.252 H A 0015 SER O
H A 0017 GLU N 2.764 H A 0013 LEU O
H A 0017 GLU N 3.079 H A 0014 ILE O
H A 0017 GLU N 2.252 H A 0016 GLU O
H A 0018 ASP N 2.717 H A 0014 ILE O
H A 0018 ASP N 2.253 H A 0017 GLU O
H A 0019 LEU N 3.027 H A 0015 SER O
H A 0019 LEU N 2.253 H A 0018 ASP O
H A 0020 LEU N 3.139 H A 0017 GLU O
H A 0020 LEU N 2.252 H A 0019 LEU O
H A 0021 ARG N 3.019 H A 0017 GLU O
H A 0021 ARG N 3.156 H A 0018 ASP O
H A 0021 ARG N 2.253 H A 0020 LEU O
H A 0022 LYS N 3.021 H A 0018 ASP O
H A 0022 LYS N 2.253 H A 0021 ARG O
H A 0023 ARG N 3.173 H A 0020 LEU O
H A 0023 ARG N 2.253 H A 0022 LYS O
H A 0024 ARG N 2.872 H A 0020 LEU O
H A 0024 ARG N 3.194 H A 0021 ARG O
H A 0024 ARG N 2.252 H A 0023 ARG O
H A 0025 GLU N 3.192 H A 0021 ARG O
H A 0025 GLU N 2.253 H A 0024 ARG O
H A 0026 GLN N 2.252 H A 0025 GLU O
H A 0027 LEU N 2.827 H A 0023 ARG O
H A 0027 LEU N 2.253 H A 0026 GLN O
H A 0028 LYS N 2.975 H A 0024 ARG O
H A 0028 LYS N 2.252 H A 0027 LEU O
H A 0029 HIS N 2.663 H A 0025 GLU O
H A 0029 HIS N 2.252 H A 0028 LYS O
H A 0030 LYS N 3.073 H A 0026 GLN O
H A 0030 LYS N 2.252 H A 0029 HIS O
H A 0031 LEU N 2.252 H A 0030 LYS O
H A 0032 GLU N 2.630 H A 0028 LYS O
H A 0032 GLU N 3.146 H A 0029 HIS O
H A 0032 GLU N 2.252 H A 0031 LEU O
C A 0033 GLN N 2.598 H A 0029 HIS O
C A 0033 GLN N 2.252 H A 0032 GLU O
C A 0034 LEU N 3.008 H A 0030 LYS O
C A 0034 LEU N 2.252 C A 0033 GLN O
HB_MS 2.00 3.20 1
H A 0011 GLN O 2.563 H A 0015 SER OG
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 16
H A 0013 LEU CB 3.644 H B 0013 HIS CB
H A 0013 LEU CB 3.633 H B 0013 HIS CG
H A 0013 LEU CD1 3.742 H B 0013 HIS CB
H A 0013 LEU CD2 3.771 H B 0013 HIS CB
H A 0013 LEU CD2 3.154 H B 0017 ILE CD1
H A 0014 ILE CG1 3.404 H B 0013 HIS CE1
H A 0017 GLU CD 3.769 H B 0016 ASP CB
H A 0017 GLU CD 3.711 H B 0016 ASP CG
H A 0017 GLU CB 3.713 H B 0017 ILE CG1
H A 0017 GLU CG 3.469 H B 0020 LEU CD1
H A 0020 LEU CB 3.786 H B 0020 LEU CB
H A 0020 LEU CD1 3.459 H B 0021 LYS CG
H A 0020 LEU CD2 3.367 H B 0021 LYS CG
H A 0024 ARG CD 3.529 H B 0020 LEU CD2
H A 0027 LEU CD1 3.688 H B 0024 ASN CB
H A 0031 LEU CD1 3.784 H B 0027 LEU CD2
CHARGE_ATTR 2.00 12.00 45
H A 0009 GLU OE1 11.33 H B 0007 ARG NH2
H A 0009 GLU OE2 11.82 H B 0007 ARG NH2
H A 0009 GLU OE1 10.78 H B 0013 HIS ND1
H A 0009 GLU OE1 10.50 H B 0013 HIS NE2
H A 0009 GLU OE2 11.41 H B 0013 HIS NE2
H A 0010 GLU OE1 5.304 H B 0009 LYS NZ
H A 0010 GLU OE2 4.763 H B 0009 LYS NZ
H A 0010 GLU OE1 7.079 H B 0013 HIS ND1
H A 0010 GLU OE1 5.025 H B 0013 HIS NE2
H A 0010 GLU OE2 6.990 H B 0013 HIS ND1
H A 0010 GLU OE2 4.827 H B 0013 HIS NE2
H A 0016 GLU OE1 9.660 H B 0013 HIS ND1
H A 0016 GLU OE1 10.93 H B 0013 HIS NE2
H A 0016 GLU OE2 9.771 H B 0013 HIS ND1
H A 0016 GLU OE2 11.35 H B 0013 HIS NE2
H A 0016 GLU OE1 7.730 H B 0021 LYS NZ
H A 0016 GLU OE2 5.874 H B 0021 LYS NZ
H A 0017 GLU OE1 11.16 H B 0009 LYS NZ
H A 0017 GLU OE2 10.53 H B 0009 LYS NZ
H A 0017 GLU OE1 5.276 H B 0013 HIS ND1
H A 0017 GLU OE1 6.970 H B 0013 HIS NE2
H A 0017 GLU OE2 3.989 H B 0013 HIS ND1
H A 0017 GLU OE2 5.935 H B 0013 HIS NE2
H A 0018 ASP OD1 10.85 H B 0013 HIS ND1
H A 0018 ASP OD2 9.477 H B 0013 HIS ND1
H A 0018 ASP OD2 10.43 H B 0013 HIS NE2
H A 0021 ARG NH1 7.077 H B 0016 ASP OD1
H A 0021 ARG NH1 5.485 H B 0016 ASP OD2
H A 0021 ARG NH2 8.731 H B 0016 ASP OD1
H A 0021 ARG NH2 7.265 H B 0016 ASP OD2
H A 0023 ARG NH1 5.269 H B 0028 GLU OE1
H A 0023 ARG NH1 5.473 H B 0028 GLU OE2
H A 0023 ARG NH2 3.413 H B 0028 GLU OE1
H A 0023 ARG NH2 3.326 H B 0028 GLU OE2
H A 0024 ARG NH1 8.097 H B 0016 ASP OD1
H A 0024 ARG NH1 7.714 H B 0016 ASP OD2
H A 0024 ARG NH2 8.293 H B 0016 ASP OD1
H A 0024 ARG NH2 8.475 H B 0016 ASP OD2
H A 0024 ARG NH1 7.483 H B 0019 ASP OD1
H A 0024 ARG NH1 9.285 H B 0019 ASP OD2
H A 0024 ARG NH2 6.481 H B 0019 ASP OD1
H A 0024 ARG NH2 8.143 H B 0019 ASP OD2
H A 0028 LYS NZ 11.80 H B 0019 ASP OD1
H A 0030 LYS NZ 9.223 H B 0028 GLU OE1
H A 0030 LYS NZ 7.294 H B 0028 GLU OE2
CHARGE_REPU 2.00 12.00 32
H A 0009 GLU OE1 11.96 H B 0011 ASP OD2
H A 0016 GLU OE2 11.36 H B 0016 ASP OD2
H A 0016 GLU OE1 9.282 H B 0018 ASP OD1
H A 0016 GLU OE1 11.00 H B 0018 ASP OD2
H A 0016 GLU OE2 7.437 H B 0018 ASP OD1
H A 0016 GLU OE2 9.019 H B 0018 ASP OD2
H A 0017 GLU OE2 10.82 H B 0011 ASP OD1
H A 0017 GLU OE1 5.273 H B 0016 ASP OD1
H A 0017 GLU OE1 3.325 H B 0016 ASP OD2
H A 0017 GLU OE2 4.336 H B 0016 ASP OD1
H A 0017 GLU OE2 2.838 H B 0016 ASP OD2
H A 0017 GLU OE1 11.71 H B 0018 ASP OD1
H A 0017 GLU OE2 10.19 H B 0018 ASP OD1
H A 0017 GLU OE2 11.79 H B 0018 ASP OD2
H A 0017 GLU OE1 10.37 H B 0019 ASP OD1
H A 0017 GLU OE1 11.11 H B 0019 ASP OD2
H A 0017 GLU OE2 9.636 H B 0019 ASP OD1
H A 0017 GLU OE2 10.02 H B 0019 ASP OD2
H A 0018 ASP OD1 11.63 H B 0016 ASP OD1
H A 0018 ASP OD1 9.581 H B 0016 ASP OD2
H A 0018 ASP OD2 10.74 H B 0016 ASP OD1
H A 0018 ASP OD2 8.766 H B 0016 ASP OD2
H A 0021 ARG NH1 11.94 H B 0009 LYS NZ
H A 0021 ARG NH1 8.029 H B 0013 HIS ND1
H A 0021 ARG NH1 9.175 H B 0013 HIS NE2
H A 0021 ARG NH2 10.25 H B 0013 HIS ND1
H A 0021 ARG NH2 11.30 H B 0013 HIS NE2
H A 0023 ARG NH1 9.730 H B 0021 LYS NZ
H A 0023 ARG NH2 10.22 H B 0021 LYS NZ
H A 0023 ARG NH2 10.44 H B 0032 ARG NH1
H A 0023 ARG NH2 10.43 H B 0032 ARG NH2
H A 0030 LYS NZ 11.99 H B 0032 ARG NH2
HB_MS 2.00 3.20 1
H A 0020 LEU O 3.114 H B 0024 ASN ND2
SS_BOND 1.50 2.80 1
C A 0003 CYS SG 2.020 C B 0003 CYS SG
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 116
C B 0003 CYS CA 3.799 C B 0004 GLY CA
C B 0003 CYS C 2.428 C B 0004 GLY CA
C B 0003 CYS C 3.544 C B 0004 GLY C
C B 0003 CYS CB 3.451 H B 0006 MET CG
C B 0004 GLY CA 3.799 C B 0005 GLY CA
C B 0004 GLY C 2.430 C B 0005 GLY CA
C B 0004 GLY C 3.401 C B 0005 GLY C
C B 0005 GLY CA 3.799 H B 0006 MET CA
C B 0005 GLY C 2.430 H B 0006 MET CA
C B 0005 GLY C 3.126 H B 0006 MET C
C B 0005 GLY C 3.696 H B 0006 MET CB
H B 0006 MET CA 3.800 H B 0007 ARG CA
H B 0006 MET C 2.430 H B 0007 ARG CA
H B 0006 MET C 3.078 H B 0007 ARG C
H B 0006 MET C 3.706 H B 0007 ARG CB
H B 0007 ARG C 2.431 H B 0008 ARG CA
H B 0007 ARG C 2.993 H B 0008 ARG C
H B 0007 ARG C 3.717 H B 0008 ARG CB
H B 0008 ARG C 2.429 H B 0009 LYS CA
H B 0008 ARG C 2.997 H B 0009 LYS C
H B 0008 ARG C 3.715 H B 0009 LYS CB
H B 0009 LYS C 2.430 H B 0010 ASN CA
H B 0009 LYS C 2.997 H B 0010 ASN C
H B 0009 LYS C 3.715 H B 0010 ASN CB
H B 0009 LYS C 3.417 H B 0013 HIS CD2
H B 0010 ASN CA 3.799 H B 0011 ASP CA
H B 0010 ASN C 2.429 H B 0011 ASP CA
H B 0010 ASN C 3.001 H B 0011 ASP C
H B 0010 ASN C 3.716 H B 0011 ASP CB
H B 0011 ASP CA 3.798 H B 0012 THR CA
H B 0011 ASP C 2.429 H B 0012 THR CA
H B 0011 ASP C 3.006 H B 0012 THR C
H B 0011 ASP C 3.715 H B 0012 THR CB
H B 0012 THR CA 3.798 H B 0013 HIS CA
H B 0012 THR C 2.429 H B 0013 HIS CA
H B 0012 THR C 3.006 H B 0013 HIS C
H B 0012 THR C 3.715 H B 0013 HIS CB
H B 0013 HIS CA 3.796 H B 0014 GLN CA
H B 0013 HIS C 2.430 H B 0014 GLN CA
H B 0013 HIS C 2.999 H B 0014 GLN C
H B 0013 HIS C 3.715 H B 0014 GLN CB
H B 0014 GLN CA 3.800 H B 0015 GLN CA
H B 0014 GLN C 2.429 H B 0015 GLN CA
H B 0014 GLN C 2.998 H B 0015 GLN C
H B 0014 GLN C 3.716 H B 0015 GLN CB
H B 0015 GLN C 2.431 H B 0016 ASP CA
H B 0015 GLN C 2.990 H B 0016 ASP C
H B 0015 GLN C 3.719 H B 0016 ASP CB
H B 0016 ASP CA 3.799 H B 0017 ILE CA
H B 0016 ASP C 2.431 H B 0017 ILE CA
H B 0016 ASP C 2.995 H B 0017 ILE C
H B 0016 ASP C 3.727 H B 0017 ILE CB
H B 0016 ASP C 3.685 H B 0020 LEU CD1
H B 0017 ILE C 2.441 H B 0018 ASP CA
H B 0017 ILE C 2.922 H B 0018 ASP C
H B 0017 ILE C 3.711 H B 0018 ASP CB
H B 0018 ASP C 2.429 H B 0019 ASP CA
H B 0018 ASP C 3.099 H B 0019 ASP C
H B 0018 ASP C 3.703 H B 0019 ASP CB
H B 0019 ASP CA 3.799 H B 0020 LEU CA
H B 0019 ASP C 2.430 H B 0020 LEU CA
H B 0019 ASP C 3.034 H B 0020 LEU C
H B 0019 ASP C 3.714 H B 0020 LEU CB
H B 0020 LEU CA 3.799 H B 0021 LYS CA
H B 0020 LEU C 2.430 H B 0021 LYS CA
H B 0020 LEU C 2.999 H B 0021 LYS C
H B 0020 LEU C 3.716 H B 0021 LYS CB
H B 0021 LYS CA 3.799 H B 0022 ARG CA
H B 0021 LYS C 2.428 H B 0022 ARG CA
H B 0021 LYS C 3.049 H B 0022 ARG C
H B 0021 LYS C 3.712 H B 0022 ARG CB
H B 0022 ARG CA 3.799 H B 0023 GLN CA
H B 0022 ARG C 2.429 H B 0023 GLN CA
H B 0022 ARG C 3.079 H B 0023 GLN C
H B 0022 ARG C 3.706 H B 0023 GLN CB
H B 0023 GLN CA 3.799 H B 0024 ASN CA
H B 0023 GLN C 2.429 H B 0024 ASN CA
H B 0023 GLN C 3.019 H B 0024 ASN C
H B 0023 GLN C 3.713 H B 0024 ASN CB
H B 0023 GLN C 3.627 H B 0027 LEU CD1
H B 0024 ASN C 2.432 H B 0025 ALA CA
H B 0024 ASN C 2.997 H B 0025 ALA C
H B 0024 ASN C 3.717 H B 0025 ALA CB
H B 0025 ALA CA 3.798 H B 0026 LEU CA
H B 0025 ALA C 2.430 H B 0026 LEU CA
H B 0025 ALA C 2.999 H B 0026 LEU C
H B 0025 ALA C 3.716 H B 0026 LEU CB
H B 0026 LEU CA 3.800 H B 0027 LEU CA
H B 0026 LEU C 2.430 H B 0027 LEU CA
H B 0026 LEU C 3.043 H B 0027 LEU C
H B 0026 LEU C 3.712 H B 0027 LEU CB
H B 0027 LEU C 2.436 H B 0028 GLU CA
H B 0027 LEU C 2.976 H B 0028 GLU C
H B 0027 LEU C 3.720 H B 0028 GLU CB
H B 0027 LEU C 3.520 H B 0031 VAL CG2
H B 0028 GLU C 2.437 H B 0029 GLN CA
H B 0028 GLU C 2.970 H B 0029 GLN C
H B 0028 GLU C 3.720 H B 0029 GLN CB
H B 0029 GLN C 2.430 H B 0030 GLN CA
H B 0029 GLN C 3.244 H B 0030 GLN C
H B 0029 GLN C 3.653 H B 0030 GLN CB
H B 0030 GLN CA 3.799 H B 0031 VAL CA
H B 0030 GLN C 2.431 H B 0031 VAL CA
H B 0030 GLN C 3.081 H B 0031 VAL C
H B 0030 GLN C 3.707 H B 0031 VAL CB
H B 0031 VAL C 2.429 H B 0032 ARG CA
H B 0031 VAL C 3.028 H B 0032 ARG C
H B 0031 VAL C 3.713 H B 0032 ARG CB
H B 0032 ARG CA 3.799 C B 0033 ALA CA
H B 0032 ARG C 2.430 C B 0033 ALA CA
H B 0032 ARG C 3.086 C B 0033 ALA C
H B 0032 ARG C 3.704 C B 0033 ALA CB
C B 0033 ALA CA 3.800 C B 0034 LEU CA
C B 0033 ALA C 2.429 C B 0034 LEU CA
C B 0033 ALA C 3.351 C B 0034 LEU C
C B 0033 ALA C 3.594 C B 0034 LEU CB
CHARGE_ATTR 2.00 12.00 33
H B 0011 ASP OD1 9.362 H B 0007 ARG NH1
H B 0011 ASP OD1 7.666 H B 0007 ARG NH2
H B 0011 ASP OD2 7.219 H B 0007 ARG NH1
H B 0011 ASP OD2 5.548 H B 0007 ARG NH2
H B 0011 ASP OD1 11.25 H B 0008 ARG NH1
H B 0011 ASP OD1 10.87 H B 0008 ARG NH2
H B 0011 ASP OD2 11.00 H B 0008 ARG NH1
H B 0011 ASP OD2 10.47 H B 0008 ARG NH2
H B 0011 ASP OD1 9.895 H B 0013 HIS ND1
H B 0011 ASP OD1 10.39 H B 0013 HIS NE2
H B 0011 ASP OD2 11.04 H B 0013 HIS ND1
H B 0011 ASP OD2 11.22 H B 0013 HIS NE2
H B 0016 ASP OD1 7.729 H B 0013 HIS ND1
H B 0016 ASP OD1 9.446 H B 0013 HIS NE2
H B 0016 ASP OD2 6.741 H B 0013 HIS ND1
H B 0016 ASP OD2 8.630 H B 0013 HIS NE2
H B 0018 ASP OD1 10.73 H B 0013 HIS ND1
H B 0018 ASP OD1 7.667 H B 0021 LYS NZ
H B 0018 ASP OD2 7.841 H B 0021 LYS NZ
H B 0018 ASP OD1 11.17 H B 0022 ARG NH1
H B 0018 ASP OD1 11.54 H B 0022 ARG NH2
H B 0018 ASP OD2 9.329 H B 0022 ARG NH1
H B 0018 ASP OD2 9.891 H B 0022 ARG NH2
H B 0019 ASP OD1 8.568 H B 0022 ARG NH1
H B 0019 ASP OD1 7.786 H B 0022 ARG NH2
H B 0019 ASP OD2 8.459 H B 0022 ARG NH1
H B 0019 ASP OD2 7.244 H B 0022 ARG NH2
H B 0028 GLU OE1 10.08 H B 0021 LYS NZ
H B 0028 GLU OE2 11.99 H B 0021 LYS NZ
H B 0028 GLU OE1 8.500 H B 0032 ARG NH1
H B 0028 GLU OE1 9.170 H B 0032 ARG NH2
H B 0028 GLU OE2 8.012 H B 0032 ARG NH1
H B 0028 GLU OE2 8.266 H B 0032 ARG NH2
CHARGE_REPU 2.00 12.00 23
H B 0008 ARG NH1 9.699 H B 0009 LYS NZ
H B 0008 ARG NH2 11.73 H B 0009 LYS NZ
H B 0009 LYS NZ 7.987 H B 0013 HIS ND1
H B 0009 LYS NZ 6.071 H B 0013 HIS NE2
H B 0011 ASP OD1 10.45 H B 0016 ASP OD1
H B 0011 ASP OD1 11.47 H B 0016 ASP OD2
H B 0011 ASP OD1 9.667 H B 0018 ASP OD1
H B 0011 ASP OD1 10.70 H B 0018 ASP OD2
H B 0011 ASP OD2 10.81 H B 0018 ASP OD1
H B 0011 ASP OD2 11.85 H B 0018 ASP OD2
H B 0011 ASP OD1 11.18 H B 0019 ASP OD2
H B 0016 ASP OD1 10.55 H B 0018 ASP OD1
H B 0016 ASP OD1 11.53 H B 0018 ASP OD2
H B 0016 ASP OD2 10.38 H B 0018 ASP OD1
H B 0016 ASP OD2 11.56 H B 0018 ASP OD2
H B 0016 ASP OD1 6.358 H B 0019 ASP OD1
H B 0016 ASP OD1 6.488 H B 0019 ASP OD2
H B 0016 ASP OD2 7.264 H B 0019 ASP OD1
H B 0016 ASP OD2 7.863 H B 0019 ASP OD2
H B 0018 ASP OD1 9.610 H B 0019 ASP OD1
H B 0018 ASP OD1 9.480 H B 0019 ASP OD2
H B 0018 ASP OD2 9.337 H B 0019 ASP OD1
H B 0018 ASP OD2 9.165 H B 0019 ASP OD2
HB_MM 2.00 3.20 61
C B 0004 GLY N 2.252 C B 0003 CYS O
C B 0005 GLY N 2.253 C B 0004 GLY O
H B 0006 MET N 2.252 C B 0005 GLY O
H B 0007 ARG N 2.251 H B 0006 MET O
H B 0008 ARG N 2.252 H B 0007 ARG O
H B 0009 LYS N 2.252 H B 0008 ARG O
H B 0010 ASN N 3.096 H B 0006 MET O
H B 0010 ASN N 2.252 H B 0009 LYS O
H B 0011 ASP N 2.707 H B 0007 ARG O
H B 0011 ASP N 3.191 H B 0008 ARG O
H B 0011 ASP N 2.252 H B 0010 ASN O
H B 0012 THR N 3.019 H B 0008 ARG O
H B 0012 THR N 2.252 H B 0011 ASP O
H B 0013 HIS N 2.854 H B 0009 LYS O
H B 0013 HIS N 2.251 H B 0012 THR O
H B 0014 GLN N 2.968 H B 0010 ASN O
H B 0014 GLN N 2.252 H B 0013 HIS O
H B 0015 GLN N 2.949 H B 0011 ASP O
H B 0015 GLN N 2.253 H B 0014 GLN O
H B 0016 ASP N 2.834 H B 0012 THR O
H B 0016 ASP N 2.252 H B 0015 GLN O
H B 0017 ILE N 2.749 H B 0013 HIS O
H B 0017 ILE N 2.252 H B 0016 ASP O
H B 0018 ASP N 2.806 H B 0014 GLN O
H B 0018 ASP N 2.257 H B 0017 ILE O
H B 0019 ASP N 2.938 H B 0015 GLN O
H B 0019 ASP N 2.771 H B 0017 ILE O
H B 0019 ASP N 2.252 H B 0018 ASP O
H B 0020 LEU N 2.931 H B 0016 ASP O
H B 0020 LEU N 2.589 H B 0017 ILE O
H B 0020 LEU N 2.252 H B 0019 ASP O
H B 0021 LYS N 3.027 H B 0017 ILE O
H B 0021 LYS N 2.253 H B 0020 LEU O
H B 0022 ARG N 3.188 H B 0018 ASP O
H B 0022 ARG N 2.252 H B 0021 LYS O
H B 0023 GLN N 3.036 H B 0019 ASP O
H B 0023 GLN N 3.129 H B 0020 LEU O
H B 0023 GLN N 2.253 H B 0022 ARG O
H B 0024 ASN N 2.761 H B 0020 LEU O
H B 0024 ASN N 2.252 H B 0023 GLN O
H B 0025 ALA N 2.820 H B 0021 LYS O
H B 0025 ALA N 2.253 H B 0024 ASN O
H B 0026 LEU N 2.252 H B 0025 ALA O
H B 0027 LEU N 2.929 H B 0023 GLN O
H B 0027 LEU N 2.252 H B 0026 LEU O
H B 0028 GLU N 2.723 H B 0024 ASN O
H B 0028 GLU N 2.253 H B 0027 LEU O
H B 0029 GLN N 2.835 H B 0025 ALA O
H B 0029 GLN N 2.252 H B 0028 GLU O
H B 0030 GLN N 3.157 H B 0026 LEU O
H B 0030 GLN N 2.941 H B 0027 LEU O
H B 0030 GLN N 3.060 H B 0028 GLU O
H B 0030 GLN N 2.252 H B 0029 GLN O
H B 0031 VAL N 2.649 H B 0027 LEU O
H B 0031 VAL N 3.004 H B 0028 GLU O
H B 0031 VAL N 2.253 H B 0030 GLN O
H B 0032 ARG N 2.591 H B 0028 GLU O
H B 0032 ARG N 2.251 H B 0031 VAL O
C B 0033 ALA N 2.251 H B 0032 ARG O
C B 0034 LEU N 3.176 H B 0030 GLN O
C B 0034 LEU N 2.251 C B 0033 ALA O
HB_MS 2.00 3.20 3
H B 0006 MET O 3.073 H B 0010 ASN ND2
H B 0008 ARG O 2.799 H B 0012 THR OG1
H B 0009 LYS O 2.638 H B 0012 THR OG1