Complet list of 1q7i con file
Complete list of 1q7i.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 324
C A 0001 GLY C 2.422 C A 0002 LYS CA
C A 0001 GLY C 3.633 C A 0002 LYS C
C A 0001 GLY C 3.231 C A 0002 LYS CB
C A 0001 GLY C 3.739 C A 0002 LYS CG
C A 0002 LYS C 2.424 C A 0003 GLU CA
C A 0002 LYS C 3.456 C A 0003 GLU C
C A 0002 LYS C 3.477 C A 0003 GLU CB
C A 0003 GLU C 2.420 C A 0004 CYS CA
C A 0003 GLU C 3.201 C A 0004 CYS C
C A 0003 GLU C 3.646 C A 0004 CYS CB
C A 0003 GLU C 3.723 C A 0020 LYS CG
C A 0004 CYS C 2.449 C A 0005 ASP CA
C A 0004 CYS C 2.819 C A 0005 ASP C
C A 0004 CYS C 3.660 C A 0005 ASP CB
C A 0004 CYS CA 3.776 C A 0019 CYS C
C A 0004 CYS CA 3.397 C A 0019 CYS CB
C A 0005 ASP C 2.420 C A 0006 CYS CA
C A 0005 ASP C 3.495 C A 0006 CYS C
C A 0005 ASP C 3.443 C A 0006 CYS CB
C A 0005 ASP CB 3.347 C A 0020 LYS CA
C A 0005 ASP CB 3.712 C A 0020 LYS C
C A 0005 ASP CB 3.666 C A 0020 LYS CG
C A 0005 ASP CG 3.397 C A 0021 LEU CG
C A 0006 CYS C 2.423 C A 0007 SER CA
C A 0006 CYS C 3.409 C A 0007 SER C
C A 0006 CYS C 3.520 C A 0007 SER CB
C A 0006 CYS CB 3.288 C A 0014 CYS CB
C A 0006 CYS CA 3.589 C A 0029 GLU CG
C A 0007 SER C 2.422 C A 0008 SER CA
C A 0007 SER C 3.262 C A 0008 SER C
C A 0007 SER C 3.614 C A 0008 SER CB
C A 0008 SER CA 2.810 C A 0009 PRO CD
C A 0008 SER C 2.445 C A 0009 PRO CA
C A 0008 SER C 3.172 C A 0009 PRO C
C A 0008 SER C 3.609 C A 0009 PRO CB
C A 0008 SER C 3.651 C A 0009 PRO CG
C A 0008 SER C 2.457 C A 0009 PRO CD
C A 0008 SER CB 3.784 C A 0009 PRO CD
C A 0009 PRO C 2.422 C A 0010 GLU CA
C A 0009 PRO C 3.488 C A 0010 GLU C
C A 0009 PRO C 3.445 C A 0010 GLU CB
C A 0010 GLU C 2.425 C A 0011 ASN CA
C A 0010 GLU C 3.062 C A 0011 ASN C
C A 0010 GLU C 3.686 C A 0011 ASN CB
C A 0011 ASN CA 2.795 C A 0012 PRO CD
C A 0011 ASN C 2.447 C A 0012 PRO CA
C A 0011 ASN C 3.195 C A 0012 PRO C
C A 0011 ASN C 3.605 C A 0012 PRO CB
C A 0011 ASN C 3.648 C A 0012 PRO CG
C A 0011 ASN C 2.455 C A 0012 PRO CD
C A 0011 ASN CB 3.583 C A 0012 PRO CD
C A 0011 ASN CG 3.472 C A 0012 PRO CD
C A 0012 PRO C 2.425 C A 0013 CYS CA
C A 0012 PRO C 3.129 C A 0013 CYS C
C A 0012 PRO C 3.680 C A 0013 CYS CB
C A 0013 CYS C 2.412 C A 0014 CYS CA
C A 0013 CYS C 3.447 C A 0014 CYS C
C A 0013 CYS C 3.479 C A 0014 CYS CB
C A 0013 CYS C 3.491 C A 0021 LEU CD2
C A 0013 CYS CA 3.725 C A 0023 PRO CG
C A 0013 CYS C 3.467 C A 0023 PRO CD
C A 0013 CYS CB 3.443 C A 0028 GLY CA
C A 0014 CYS C 2.421 C A 0015 ASP CA
C A 0014 CYS C 3.553 C A 0015 ASP C
C A 0014 CYS C 3.342 C A 0015 ASP CB
C A 0014 CYS CA 3.686 C A 0020 LYS C
C A 0014 CYS CA 3.664 C A 0021 LEU CA
C A 0014 CYS C 3.656 C A 0022 ARG CB
C A 0015 ASP C 2.420 C A 0016 ALA CA
C A 0015 ASP C 3.134 C A 0016 ALA C
C A 0015 ASP C 3.666 C A 0016 ALA CB
C A 0015 ASP CB 3.664 C A 0018 THR CG2
C A 0015 ASP CB 3.577 C A 0022 ARG CB
C A 0015 ASP CG 3.686 C A 0022 ARG CB
C A 0016 ALA C 2.423 C A 0017 ALA CA
C A 0016 ALA C 2.976 C A 0017 ALA C
C A 0016 ALA C 3.696 C A 0017 ALA CB
C A 0017 ALA C 2.420 C A 0018 THR CA
C A 0017 ALA C 3.501 C A 0018 THR C
C A 0017 ALA C 3.427 C A 0018 THR CB
C A 0018 THR C 2.422 C A 0019 CYS CA
C A 0018 THR C 2.883 C A 0019 CYS C
C A 0018 THR C 3.053 C A 0019 CYS CB
C A 0019 CYS C 2.393 C A 0020 LYS CA
C A 0019 CYS C 3.600 C A 0020 LYS C
C A 0019 CYS C 3.247 C A 0020 LYS CB
C A 0019 CYS C 3.763 C A 0020 LYS CG
C A 0020 LYS C 2.428 C A 0021 LEU CA
C A 0020 LYS C 2.840 C A 0021 LEU C
C A 0020 LYS C 3.680 C A 0021 LEU CB
C A 0021 LEU C 2.415 C A 0022 ARG CA
C A 0021 LEU C 3.224 C A 0022 ARG C
C A 0021 LEU C 3.629 C A 0022 ARG CB
C A 0021 LEU C 3.689 C A 0023 PRO CD
C A 0021 LEU CD1 3.503 C A 0026 GLN C
C A 0021 LEU CD1 3.614 C A 0027 CYS CA
C A 0021 LEU CD2 3.732 C A 0027 CYS CA
C A 0021 LEU CD2 3.157 C A 0027 CYS C
C A 0022 ARG CA 2.830 C A 0023 PRO CD
C A 0022 ARG C 2.437 C A 0023 PRO CA
C A 0022 ARG C 3.173 C A 0023 PRO C
C A 0022 ARG C 3.600 C A 0023 PRO CB
C A 0022 ARG C 3.651 C A 0023 PRO CG
C A 0022 ARG C 2.461 C A 0023 PRO CD
C A 0022 ARG CB 3.111 C A 0023 PRO CD
C A 0022 ARG CG 3.544 C A 0023 PRO CD
C A 0023 PRO C 2.424 C A 0024 GLY CA
C A 0023 PRO C 3.189 C A 0024 GLY C
C A 0024 GLY C 2.421 C A 0025 ALA CA
C A 0024 GLY C 2.953 C A 0025 ALA C
C A 0024 GLY C 3.689 C A 0025 ALA CB
C A 0025 ALA C 2.417 C A 0026 GLN CA
C A 0025 ALA C 3.538 C A 0026 GLN C
C A 0025 ALA C 3.373 C A 0026 GLN CB
C A 0025 ALA C 3.782 C A 0026 GLN CD
C A 0025 ALA CB 3.381 C A 0036 CYS CA
C A 0025 ALA CB 3.391 C A 0036 CYS C
C A 0025 ALA CB 3.032 C A 0036 CYS CB
C A 0026 GLN C 2.418 C A 0027 CYS CA
C A 0026 GLN C 3.697 C A 0027 CYS C
C A 0026 GLN C 2.957 C A 0027 CYS CB
C A 0026 GLN C 3.739 E A 0038 PHE CD2
C A 0026 GLN C 3.631 E A 0038 PHE CE2
C A 0026 GLN CB 3.691 E A 0038 PHE CB
C A 0026 GLN CB 3.532 E A 0038 PHE CG
C A 0026 GLN CB 3.210 E A 0038 PHE CD2
C A 0026 GLN CG 3.208 E A 0038 PHE CD2
C A 0027 CYS C 2.421 C A 0028 GLY CA
C A 0027 CYS C 3.330 C A 0028 GLY C
C A 0027 CYS CB 3.668 E A 0033 CYS CB
C A 0027 CYS CB 3.569 E A 0038 PHE CE1
C A 0027 CYS CB 3.010 C A 0062 ALA CB
C A 0028 GLY C 2.406 C A 0029 GLU CA
C A 0028 GLY C 3.692 C A 0029 GLU C
C A 0028 GLY C 2.930 C A 0029 GLU CB
C A 0028 GLY C 3.408 C A 0029 GLU CG
C A 0029 GLU C 2.437 C A 0030 GLY CA
C A 0029 GLU C 3.678 C A 0030 GLY C
C A 0030 GLY C 2.393 C A 0031 LEU CA
C A 0030 GLY C 3.327 C A 0031 LEU C
C A 0030 GLY C 3.484 C A 0031 LEU CB
C A 0030 GLY CA 3.438 C A 0062 ALA C
C A 0030 GLY CA 3.308 C A 0063 ASP CA
C A 0030 GLY CA 3.723 C A 0063 ASP CB
C A 0030 GLY CA 3.355 C A 0063 ASP CG
C A 0031 LEU C 2.431 C A 0032 CYS CA
C A 0031 LEU C 3.420 C A 0032 CYS C
C A 0031 LEU C 3.526 C A 0032 CYS CB
C A 0031 LEU CD1 3.301 C A 0046 ARG CZ
C A 0032 CYS C 2.423 E A 0033 CYS CA
C A 0032 CYS C 3.596 E A 0033 CYS C
C A 0032 CYS C 3.300 E A 0033 CYS CB
C A 0032 CYS C 3.379 C A 0039 SER CB
C A 0032 CYS CB 3.659 C A 0039 SER CB
C A 0032 CYS CB 3.234 E A 0057 CYS CB
E A 0033 CYS C 2.421 E A 0034 GLU CA
E A 0033 CYS C 2.963 E A 0034 GLU C
E A 0033 CYS C 3.687 E A 0034 GLU CB
E A 0033 CYS CB 3.790 C A 0062 ALA CA
E A 0033 CYS CB 3.248 C A 0062 ALA CB
E A 0034 GLU C 2.414 C A 0035 GLN CA
E A 0034 GLU C 2.930 C A 0035 GLN C
E A 0034 GLU C 3.686 C A 0035 GLN CB
E A 0034 GLU CB 3.690 E A 0037 LYS CB
C A 0035 GLN C 2.429 C A 0036 CYS CA
C A 0035 GLN C 3.043 C A 0036 CYS C
C A 0035 GLN C 2.907 C A 0036 CYS CB
C A 0036 CYS C 2.421 E A 0037 LYS CA
C A 0036 CYS C 3.663 E A 0037 LYS C
C A 0036 CYS C 3.180 E A 0037 LYS CB
E A 0037 LYS C 2.430 E A 0038 PHE CA
E A 0037 LYS C 3.153 E A 0038 PHE C
E A 0037 LYS C 3.684 E A 0038 PHE CB
E A 0038 PHE C 2.408 C A 0039 SER CA
E A 0038 PHE C 2.856 C A 0039 SER C
E A 0038 PHE C 3.680 C A 0039 SER CB
E A 0038 PHE CE1 3.605 C A 0060 GLN C
E A 0038 PHE CE2 3.635 C A 0060 GLN C
E A 0038 PHE CZ 3.433 C A 0060 GLN C
E A 0038 PHE CD1 3.184 C A 0061 SER C
E A 0038 PHE CE1 3.498 C A 0061 SER CA
E A 0038 PHE CE1 2.938 C A 0061 SER C
E A 0038 PHE CD1 3.744 C A 0062 ALA CA
E A 0038 PHE CD1 3.633 C A 0062 ALA CB
E A 0038 PHE CE1 3.497 C A 0062 ALA CA
E A 0038 PHE CE1 3.187 C A 0062 ALA CB
C A 0039 SER C 2.405 C A 0040 ARG CA
C A 0039 SER C 3.214 C A 0040 ARG C
C A 0039 SER C 3.616 C A 0040 ARG CB
C A 0040 ARG C 2.418 C A 0041 ALA CA
C A 0040 ARG C 2.866 C A 0041 ALA C
C A 0040 ARG C 3.693 C A 0041 ALA CB
C A 0041 ALA C 2.402 C A 0042 GLY CA
C A 0041 ALA C 2.887 C A 0042 GLY C
C A 0041 ALA CA 3.740 C A 0058 THR C
C A 0041 ALA CB 3.700 C A 0058 THR C
C A 0041 ALA CB 3.726 C A 0059 GLY CA
C A 0042 GLY C 2.415 E A 0043 LYS CA
C A 0042 GLY C 3.306 E A 0043 LYS C
C A 0042 GLY C 3.557 E A 0043 LYS CB
C A 0042 GLY CA 3.152 E A 0056 ARG CG
C A 0042 GLY C 3.429 E A 0056 ARG CG
C A 0042 GLY C 3.709 E A 0056 ARG CD
E A 0043 LYS C 2.386 E A 0044 ILE CA
E A 0043 LYS C 3.301 E A 0044 ILE C
E A 0043 LYS C 3.541 E A 0044 ILE CB
E A 0043 LYS CB 3.637 E A 0057 CYS CB
E A 0044 ILE C 2.429 C A 0045 CYS CA
E A 0044 ILE C 3.148 C A 0045 CYS C
E A 0044 ILE C 3.669 C A 0045 CYS CB
E A 0044 ILE CD1 3.429 C A 0054 ASP CB
E A 0044 ILE CD1 3.340 C A 0054 ASP CG
C A 0045 CYS C 2.415 C A 0046 ARG CA
C A 0045 CYS C 3.689 C A 0046 ARG C
C A 0045 CYS C 2.964 C A 0046 ARG CB
C A 0045 CYS C 3.713 C A 0046 ARG CD
C A 0045 CYS C 3.565 C A 0064 CYS CB
C A 0045 CYS CB 3.361 C A 0064 CYS CB
C A 0046 ARG C 2.417 C A 0047 ILE CA
C A 0046 ARG C 3.639 C A 0047 ILE C
C A 0046 ARG C 3.204 C A 0047 ILE CB
C A 0046 ARG C 3.756 C A 0047 ILE CG2
C A 0046 ARG CB 3.667 C A 0055 ASP CB
C A 0047 ILE C 2.418 C A 0048 ALA CA
C A 0047 ILE C 2.895 C A 0048 ALA C
C A 0047 ILE C 3.684 C A 0048 ALA CB
C A 0048 ALA C 2.439 C A 0049 ARG CA
C A 0048 ALA C 3.614 C A 0049 ARG C
C A 0048 ALA C 3.404 C A 0049 ARG CB
C A 0048 ALA C 3.229 C A 0049 ARG CG
C A 0048 ALA CA 3.721 C A 0052 TRP CE2
C A 0048 ALA CA 3.546 C A 0052 TRP CZ2
C A 0048 ALA C 3.620 C A 0052 TRP CE2
C A 0048 ALA C 3.038 C A 0052 TRP CZ2
C A 0048 ALA C 3.724 C A 0052 TRP CH2
C A 0048 ALA CB 3.654 C A 0052 TRP CG
C A 0048 ALA CB 3.709 C A 0052 TRP CD1
C A 0048 ALA CB 3.025 C A 0052 TRP CD2
C A 0048 ALA CB 2.719 C A 0052 TRP CE2
C A 0048 ALA CB 3.485 C A 0052 TRP CE3
C A 0048 ALA CB 2.962 C A 0052 TRP CZ2
C A 0048 ALA CB 3.673 C A 0052 TRP CZ3
C A 0048 ALA CB 3.440 C A 0052 TRP CH2
C A 0049 ARG C 2.426 C A 0050 GLY CA
C A 0049 ARG C 3.496 C A 0050 GLY C
C A 0049 ARG CA 3.364 C A 0052 TRP CZ2
C A 0049 ARG C 3.136 C A 0052 TRP CZ2
C A 0050 GLY C 2.445 C A 0051 ASP CA
C A 0050 GLY C 3.533 C A 0051 ASP C
C A 0050 GLY C 3.433 C A 0051 ASP CB
C A 0050 GLY CA 3.689 C A 0052 TRP CE2
C A 0050 GLY CA 3.530 C A 0052 TRP CZ2
C A 0050 GLY C 3.208 C A 0052 TRP CE2
C A 0050 GLY C 3.184 C A 0052 TRP CZ2
C A 0051 ASP CA 3.763 C A 0052 TRP CG
C A 0051 ASP CA 3.577 C A 0052 TRP CD2
C A 0051 ASP C 2.450 C A 0052 TRP CA
C A 0051 ASP C 3.707 C A 0052 TRP C
C A 0051 ASP C 2.890 C A 0052 TRP CB
C A 0051 ASP C 2.659 C A 0052 TRP CG
C A 0051 ASP C 3.198 C A 0052 TRP CD1
C A 0051 ASP C 2.946 C A 0052 TRP CD2
C A 0051 ASP C 3.605 C A 0052 TRP CE2
C A 0051 ASP C 3.504 C A 0052 TRP CE3
C A 0052 TRP C 2.422 C A 0053 ASN CA
C A 0052 TRP C 3.390 C A 0053 ASN C
C A 0052 TRP C 3.520 C A 0053 ASN CB
C A 0052 TRP CD1 3.716 C A 0068 HIS CB
C A 0053 ASN C 2.419 C A 0054 ASP CA
C A 0053 ASN C 2.952 C A 0054 ASP C
C A 0053 ASN C 3.692 C A 0054 ASP CB
C A 0054 ASP C 2.424 C A 0055 ASP CA
C A 0054 ASP C 3.218 C A 0055 ASP C
C A 0054 ASP C 3.635 C A 0055 ASP CB
C A 0055 ASP C 2.419 E A 0056 ARG CA
C A 0055 ASP C 2.873 E A 0056 ARG C
C A 0055 ASP C 3.680 E A 0056 ARG CB
C A 0055 ASP CG 3.650 C A 0065 PRO C
C A 0055 ASP CG 3.182 C A 0065 PRO CG
C A 0055 ASP CG 3.290 C A 0065 PRO CD
E A 0056 ARG C 2.416 E A 0057 CYS CA
E A 0056 ARG C 2.805 E A 0057 CYS C
E A 0056 ARG C 3.706 E A 0057 CYS CB
E A 0057 CYS C 2.423 C A 0058 THR CA
E A 0057 CYS C 3.202 C A 0058 THR C
E A 0057 CYS C 3.645 C A 0058 THR CB
E A 0057 CYS C 3.744 C A 0058 THR CG2
C A 0058 THR C 2.425 C A 0059 GLY CA
C A 0058 THR C 3.065 C A 0059 GLY C
C A 0059 GLY C 2.420 C A 0060 GLN CA
C A 0059 GLY C 3.522 C A 0060 GLN C
C A 0059 GLY C 3.405 C A 0060 GLN CB
C A 0059 GLY C 3.539 C A 0060 GLN CG
C A 0060 GLN C 2.422 C A 0061 SER CA
C A 0060 GLN C 3.454 C A 0061 SER C
C A 0060 GLN C 3.480 C A 0061 SER CB
C A 0061 SER C 2.425 C A 0062 ALA CA
C A 0061 SER C 3.484 C A 0062 ALA C
C A 0061 SER C 3.451 C A 0062 ALA CB
C A 0062 ALA C 2.413 C A 0063 ASP CA
C A 0062 ALA C 3.258 C A 0063 ASP C
C A 0062 ALA C 3.608 C A 0063 ASP CB
C A 0062 ALA C 3.744 C A 0063 ASP CG
C A 0063 ASP C 2.407 C A 0064 CYS CA
C A 0063 ASP C 3.548 C A 0064 CYS C
C A 0063 ASP C 3.329 C A 0064 CYS CB
C A 0064 CYS CA 3.788 C A 0065 PRO CA
C A 0064 CYS CA 2.767 C A 0065 PRO CD
C A 0064 CYS C 2.434 C A 0065 PRO CA
C A 0064 CYS C 3.149 C A 0065 PRO C
C A 0064 CYS C 3.595 C A 0065 PRO CB
C A 0064 CYS C 3.646 C A 0065 PRO CG
C A 0064 CYS C 2.457 C A 0065 PRO CD
C A 0064 CYS CB 3.706 C A 0065 PRO CD
C A 0065 PRO C 2.418 C A 0066 ARG CA
C A 0065 PRO C 3.675 C A 0066 ARG C
C A 0065 PRO C 3.110 C A 0066 ARG CB
C A 0065 PRO C 3.569 C A 0066 ARG CG
C A 0066 ARG C 2.417 C A 0067 TYR CA
C A 0066 ARG C 3.327 C A 0067 TYR C
C A 0066 ARG C 3.565 C A 0067 TYR CB
C A 0067 TYR C 2.425 C A 0068 HIS CA
C A 0067 TYR C 3.568 C A 0068 HIS C
C A 0067 TYR C 3.350 C A 0068 HIS CB
CHARGE_ATTR 2.00 12.00 62
C A 0003 GLU OE2 11.26 C A 0002 LYS NZ
C A 0003 GLU OE1 6.580 C A 0020 LYS NZ
C A 0003 GLU OE2 8.010 C A 0020 LYS NZ
C A 0005 ASP OD1 5.226 C A 0020 LYS NZ
C A 0005 ASP OD2 3.229 C A 0020 LYS NZ
C A 0010 GLU OE1 11.45 C A 0022 ARG NH1
C A 0010 GLU OE2 11.67 C A 0022 ARG NH1
C A 0015 ASP OD2 11.61 C A 0020 LYS NZ
C A 0015 ASP OD1 5.554 C A 0022 ARG NH1
C A 0015 ASP OD1 5.276 C A 0022 ARG NH2
C A 0015 ASP OD2 6.842 C A 0022 ARG NH1
C A 0015 ASP OD2 5.897 C A 0022 ARG NH2
C A 0029 GLU OE2 11.41 C A 0002 LYS NZ
C A 0029 GLU OE2 10.72 C A 0020 LYS NZ
C A 0029 GLU OE1 11.11 C A 0046 ARG NH1
C A 0029 GLU OE2 11.48 C A 0046 ARG NH1
E A 0034 GLU OE1 6.887 E A 0037 LYS NZ
E A 0034 GLU OE2 8.790 E A 0037 LYS NZ
E A 0034 GLU OE1 9.277 C A 0040 ARG NH1
E A 0034 GLU OE1 8.253 C A 0040 ARG NH2
E A 0034 GLU OE2 8.879 C A 0040 ARG NH1
E A 0034 GLU OE2 7.986 C A 0040 ARG NH2
E A 0034 GLU OE1 10.51 E A 0043 LYS NZ
E A 0034 GLU OE2 9.726 E A 0043 LYS NZ
C A 0051 ASP OD1 10.88 E A 0056 ARG NH2
C A 0051 ASP OD1 11.89 C A 0068 HIS ND1
C A 0051 ASP OD1 10.66 C A 0068 HIS NE2
C A 0051 ASP OD2 11.72 C A 0068 HIS ND1
C A 0051 ASP OD2 10.21 C A 0068 HIS NE2
C A 0054 ASP OD2 11.36 E A 0043 LYS NZ
C A 0054 ASP OD1 11.57 C A 0046 ARG NH2
C A 0054 ASP OD2 10.38 C A 0046 ARG NH1
C A 0054 ASP OD2 9.613 C A 0046 ARG NH2
C A 0054 ASP OD1 10.88 C A 0049 ARG NH1
C A 0054 ASP OD2 10.95 C A 0049 ARG NH1
C A 0054 ASP OD1 7.349 E A 0056 ARG NH1
C A 0054 ASP OD1 5.224 E A 0056 ARG NH2
C A 0054 ASP OD2 7.696 E A 0056 ARG NH1
C A 0054 ASP OD2 5.923 E A 0056 ARG NH2
C A 0054 ASP OD1 11.58 C A 0068 HIS ND1
C A 0054 ASP OD1 11.69 C A 0068 HIS NE2
C A 0054 ASP OD2 11.78 C A 0068 HIS ND1
C A 0055 ASP OD1 9.615 C A 0046 ARG NH1
C A 0055 ASP OD1 10.39 C A 0046 ARG NH2
C A 0055 ASP OD2 7.548 C A 0046 ARG NH1
C A 0055 ASP OD2 8.511 C A 0046 ARG NH2
C A 0055 ASP OD1 9.529 E A 0056 ARG NH1
C A 0055 ASP OD1 8.796 E A 0056 ARG NH2
C A 0055 ASP OD2 11.01 E A 0056 ARG NH1
C A 0055 ASP OD2 10.23 E A 0056 ARG NH2
C A 0055 ASP OD1 10.43 C A 0066 ARG NH1
C A 0055 ASP OD1 9.262 C A 0066 ARG NH2
C A 0055 ASP OD2 8.833 C A 0066 ARG NH1
C A 0055 ASP OD2 7.887 C A 0066 ARG NH2
C A 0055 ASP OD1 11.04 C A 0068 HIS ND1
C A 0055 ASP OD2 11.12 C A 0068 HIS ND1
C A 0063 ASP OD1 9.648 C A 0020 LYS NZ
C A 0063 ASP OD2 10.02 C A 0020 LYS NZ
C A 0063 ASP OD1 9.826 C A 0046 ARG NH1
C A 0063 ASP OD1 11.73 C A 0046 ARG NH2
C A 0063 ASP OD2 9.395 C A 0046 ARG NH1
C A 0063 ASP OD2 11.49 C A 0046 ARG NH2
CHARGE_REPU 2.00 12.00 55
C A 0003 GLU OE1 9.719 C A 0005 ASP OD1
C A 0003 GLU OE1 8.672 C A 0005 ASP OD2
C A 0003 GLU OE2 11.46 C A 0005 ASP OD1
C A 0003 GLU OE2 10.36 C A 0005 ASP OD2
C A 0003 GLU OE1 10.12 C A 0015 ASP OD1
C A 0003 GLU OE1 8.773 C A 0015 ASP OD2
C A 0003 GLU OE2 11.73 C A 0015 ASP OD1
C A 0003 GLU OE2 10.40 C A 0015 ASP OD2
C A 0005 ASP OD1 10.59 C A 0015 ASP OD1
C A 0005 ASP OD1 10.77 C A 0015 ASP OD2
C A 0005 ASP OD2 11.44 C A 0015 ASP OD1
C A 0005 ASP OD2 11.23 C A 0015 ASP OD2
C A 0005 ASP OD1 8.176 C A 0029 GLU OE1
C A 0005 ASP OD1 7.333 C A 0029 GLU OE2
C A 0005 ASP OD2 9.842 C A 0029 GLU OE1
C A 0005 ASP OD2 8.678 C A 0029 GLU OE2
C A 0005 ASP OD1 6.938 C A 0063 ASP OD1
C A 0005 ASP OD1 7.610 C A 0063 ASP OD2
C A 0005 ASP OD2 7.501 C A 0063 ASP OD1
C A 0005 ASP OD2 8.201 C A 0063 ASP OD2
C A 0029 GLU OE1 6.533 C A 0063 ASP OD1
C A 0029 GLU OE1 5.638 C A 0063 ASP OD2
C A 0029 GLU OE2 5.772 C A 0063 ASP OD1
C A 0029 GLU OE2 4.463 C A 0063 ASP OD2
E A 0037 LYS NZ 10.68 C A 0040 ARG NH1
E A 0037 LYS NZ 9.303 C A 0040 ARG NH2
C A 0040 ARG NH1 6.753 E A 0043 LYS NZ
C A 0040 ARG NH2 8.512 E A 0043 LYS NZ
E A 0043 LYS NZ 11.71 C A 0046 ARG NH2
C A 0046 ARG NH2 11.87 C A 0049 ARG NH1
C A 0046 ARG NH1 8.063 C A 0066 ARG NH1
C A 0046 ARG NH1 8.193 C A 0066 ARG NH2
C A 0046 ARG NH2 9.294 C A 0066 ARG NH1
C A 0046 ARG NH2 9.046 C A 0066 ARG NH2
C A 0049 ARG NH1 11.75 C A 0066 ARG NH2
C A 0049 ARG NH2 11.61 C A 0066 ARG NH2
C A 0049 ARG NH1 9.551 C A 0068 HIS ND1
C A 0049 ARG NH1 8.893 C A 0068 HIS NE2
C A 0049 ARG NH2 9.274 C A 0068 HIS ND1
C A 0049 ARG NH2 8.584 C A 0068 HIS NE2
C A 0051 ASP OD1 9.404 C A 0054 ASP OD1
C A 0051 ASP OD1 11.42 C A 0054 ASP OD2
C A 0051 ASP OD2 9.887 C A 0054 ASP OD1
C A 0051 ASP OD2 11.87 C A 0054 ASP OD2
C A 0054 ASP OD1 8.052 C A 0055 ASP OD1
C A 0054 ASP OD1 8.771 C A 0055 ASP OD2
C A 0054 ASP OD2 6.918 C A 0055 ASP OD1
C A 0054 ASP OD2 7.245 C A 0055 ASP OD2
C A 0055 ASP OD1 11.92 C A 0063 ASP OD1
C A 0055 ASP OD2 10.56 C A 0063 ASP OD1
C A 0055 ASP OD2 10.53 C A 0063 ASP OD2
C A 0066 ARG NH1 9.983 C A 0068 HIS ND1
C A 0066 ARG NH1 11.99 C A 0068 HIS NE2
C A 0066 ARG NH2 7.870 C A 0068 HIS ND1
C A 0066 ARG NH2 9.856 C A 0068 HIS NE2
HB_MM 2.00 3.20 93
C A 0002 LYS N 2.196 C A 0001 GLY O
C A 0003 GLU N 2.197 C A 0002 LYS O
C A 0004 CYS N 2.197 C A 0003 GLU O
C A 0005 ASP N 2.970 C A 0003 GLU O
C A 0005 ASP N 2.209 C A 0004 CYS O
C A 0005 ASP N 2.568 C A 0019 CYS O
C A 0006 CYS N 2.497 C A 0004 CYS O
C A 0006 CYS N 2.195 C A 0005 ASP O
C A 0007 SER N 2.198 C A 0006 CYS O
C A 0008 SER N 2.197 C A 0007 SER O
C A 0009 PRO N 2.227 C A 0008 SER O
C A 0010 GLU N 3.162 C A 0008 SER O
C A 0010 GLU N 2.196 C A 0009 PRO O
C A 0011 ASN N 2.198 C A 0010 GLU O
C A 0012 PRO N 2.229 C A 0011 ASN O
C A 0013 CYS N 2.197 C A 0012 PRO O
C A 0014 CYS N 2.189 C A 0013 CYS O
C A 0015 ASP N 2.198 C A 0014 CYS O
C A 0015 ASP N 2.550 C A 0020 LYS O
C A 0016 ALA N 2.197 C A 0015 ASP O
C A 0017 ALA N 2.195 C A 0016 ALA O
C A 0018 THR N 2.196 C A 0017 ALA O
C A 0019 CYS N 2.441 C A 0015 ASP O
C A 0019 CYS N 2.198 C A 0018 THR O
C A 0020 LYS N 3.111 C A 0015 ASP O
C A 0020 LYS N 2.848 C A 0018 THR O
C A 0020 LYS N 2.166 C A 0019 CYS O
C A 0021 LEU N 2.202 C A 0020 LYS O
C A 0022 ARG N 3.077 C A 0013 CYS O
C A 0022 ARG N 2.898 C A 0020 LYS O
C A 0022 ARG N 2.194 C A 0021 LEU O
C A 0023 PRO N 2.224 C A 0022 ARG O
C A 0024 GLY N 2.198 C A 0023 PRO O
C A 0025 ALA N 3.126 C A 0023 PRO O
C A 0025 ALA N 2.197 C A 0024 GLY O
C A 0026 GLN N 2.195 C A 0025 ALA O
C A 0027 CYS N 2.193 C A 0026 GLN O
C A 0028 GLY N 2.199 C A 0027 CYS O
C A 0029 GLU N 2.190 C A 0028 GLY O
C A 0030 GLY N 2.200 C A 0029 GLU O
C A 0031 LEU N 2.187 C A 0030 GLY O
C A 0031 LEU N 2.664 C A 0062 ALA O
C A 0032 CYS N 2.203 C A 0031 LEU O
C A 0032 CYS N 2.794 C A 0062 ALA O
E A 0033 CYS N 2.192 C A 0032 CYS O
E A 0034 GLU N 2.198 E A 0033 CYS O
E A 0034 GLU N 2.725 E A 0037 LYS O
C A 0035 GLN N 2.195 E A 0034 GLU O
C A 0036 CYS N 2.513 E A 0034 GLU O
C A 0036 CYS N 2.203 C A 0035 GLN O
E A 0037 LYS N 3.098 E A 0034 GLU O
E A 0037 LYS N 2.194 C A 0036 CYS O
E A 0038 PHE N 2.201 E A 0037 LYS O
C A 0039 SER N 2.925 C A 0032 CYS O
C A 0039 SER N 2.191 E A 0038 PHE O
C A 0040 ARG N 2.190 C A 0039 SER O
C A 0041 ALA N 2.197 C A 0040 ARG O
C A 0042 GLY N 2.191 C A 0041 ALA O
C A 0042 GLY N 3.179 E A 0057 CYS O
E A 0043 LYS N 2.925 C A 0041 ALA O
E A 0043 LYS N 2.200 C A 0042 GLY O
E A 0044 ILE N 2.166 E A 0043 LYS O
C A 0045 CYS N 2.198 E A 0044 ILE O
C A 0045 CYS N 2.936 C A 0055 ASP O
C A 0046 ARG N 3.161 E A 0044 ILE O
C A 0046 ARG N 2.191 C A 0045 CYS O
C A 0047 ILE N 2.197 C A 0046 ARG O
C A 0048 ALA N 2.196 C A 0047 ILE O
C A 0049 ARG N 2.190 C A 0048 ALA O
C A 0050 GLY N 2.186 C A 0049 ARG O
C A 0051 ASP N 2.204 C A 0050 GLY O
C A 0052 TRP N 2.202 C A 0051 ASP O
C A 0053 ASN N 2.196 C A 0052 TRP O
C A 0054 ASP N 2.192 C A 0053 ASN O
C A 0055 ASP N 2.196 C A 0054 ASP O
E A 0056 ARG N 3.019 C A 0054 ASP O
E A 0056 ARG N 2.196 C A 0055 ASP O
E A 0057 CYS N 2.780 E A 0043 LYS O
E A 0057 CYS N 2.637 C A 0055 ASP O
E A 0057 CYS N 2.197 E A 0056 ARG O
C A 0058 THR N 3.061 E A 0056 ARG O
C A 0058 THR N 2.206 E A 0057 CYS O
C A 0059 GLY N 2.197 C A 0058 THR O
C A 0060 GLN N 2.998 C A 0058 THR O
C A 0060 GLN N 2.196 C A 0059 GLY O
C A 0061 SER N 2.196 C A 0060 GLN O
C A 0062 ALA N 2.197 C A 0061 SER O
C A 0063 ASP N 2.185 C A 0062 ALA O
C A 0064 CYS N 2.191 C A 0063 ASP O
C A 0065 PRO N 2.231 C A 0064 CYS O
C A 0066 ARG N 2.196 C A 0065 PRO O
C A 0067 TYR N 2.197 C A 0066 ARG O
C A 0068 HIS N 2.197 C A 0067 TYR O
HB_MS 2.00 3.20 9
C A 0007 SER N 3.149 C A 0029 GLU OE2
C A 0028 GLY N 2.719 C A 0005 ASP OD1
C A 0028 GLY O 2.554 C A 0011 ASN ND2
C A 0032 CYS O 2.546 C A 0039 SER OG
E A 0033 CYS N 3.093 C A 0039 SER OG
C A 0060 GLN N 2.986 C A 0058 THR OG1
C A 0061 SER N 2.817 C A 0058 THR OG1
C A 0062 ALA N 2.943 C A 0061 SER OG
C A 0065 PRO N 3.015 C A 0055 ASP OD2
HB_SS 2.00 3.20 3
C A 0003 GLU OE1 2.722 C A 0018 THR OG1
C A 0029 GLU OE1 2.669 C A 0007 SER OG
C A 0029 GLU OE2 2.597 C A 0007 SER OG
SS_BOND 1.50 2.80 6
C A 0004 CYS SG 2.011 C A 0019 CYS SG
C A 0006 CYS SG 2.018 C A 0014 CYS SG
C A 0013 CYS SG 2.016 C A 0036 CYS SG
C A 0027 CYS SG 2.019 E A 0033 CYS SG
C A 0032 CYS SG 2.016 E A 0057 CYS SG
C A 0045 CYS SG 2.001 C A 0064 CYS SG