Complet list of 3hsf con file
Complete list of 3hsf.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 401
C A 0001 ALA C 2.439 C A 0002 ARG CA
C A 0001 ALA C 2.988 C A 0002 ARG C
C A 0001 ALA C 2.986 C A 0002 ARG CB
C A 0001 ALA C 3.321 C A 0002 ARG CG
C A 0002 ARG CA 2.943 C A 0003 PRO CD
C A 0002 ARG C 2.411 C A 0003 PRO CA
C A 0002 ARG C 3.250 C A 0003 PRO C
C A 0002 ARG C 3.569 C A 0003 PRO CB
C A 0002 ARG C 3.677 C A 0003 PRO CG
C A 0002 ARG C 2.529 C A 0003 PRO CD
C A 0003 PRO C 2.434 H A 0004 ALA CA
C A 0003 PRO C 3.070 H A 0004 ALA C
C A 0003 PRO C 3.695 H A 0004 ALA CB
H A 0004 ALA C 2.432 H A 0005 PHE CA
H A 0004 ALA C 3.078 H A 0005 PHE C
H A 0004 ALA C 3.698 H A 0005 PHE CB
H A 0005 PHE C 2.427 H A 0006 VAL CA
H A 0005 PHE C 3.019 H A 0006 VAL C
H A 0005 PHE C 3.705 H A 0006 VAL CB
H A 0005 PHE CA 3.584 H A 0008 LYS CD
H A 0005 PHE CE1 3.627 H A 0048 PHE CE1
H A 0005 PHE CE1 3.277 H A 0048 PHE CZ
H A 0005 PHE CE1 3.397 H A 0059 GLN CB
H A 0005 PHE CE1 3.457 H A 0059 GLN CG
H A 0005 PHE CE2 3.352 H A 0059 GLN CB
H A 0005 PHE CZ 3.029 H A 0059 GLN CB
H A 0005 PHE CZ 3.682 H A 0059 GLN CG
H A 0005 PHE CB 3.578 H A 0063 TYR CD2
H A 0005 PHE CB 2.985 H A 0063 TYR CE2
H A 0005 PHE CB 3.311 H A 0063 TYR CZ
H A 0005 PHE CG 3.435 H A 0063 TYR CD2
H A 0005 PHE CG 2.988 H A 0063 TYR CE2
H A 0005 PHE CD1 3.713 H A 0063 TYR CE2
H A 0005 PHE CD2 3.042 H A 0063 TYR CD2
H A 0005 PHE CD2 3.185 H A 0063 TYR CE2
H A 0005 PHE CE2 3.795 H A 0063 TYR CD2
H A 0006 VAL C 2.433 H A 0007 ASN CA
H A 0006 VAL C 3.087 H A 0007 ASN C
H A 0006 VAL C 3.697 H A 0007 ASN CB
H A 0006 VAL C 3.770 H A 0010 TRP CD1
H A 0007 ASN C 2.433 H A 0008 LYS CA
H A 0007 ASN C 3.166 H A 0008 LYS C
H A 0007 ASN C 3.691 H A 0008 LYS CB
H A 0008 LYS C 2.437 H A 0009 LEU CA
H A 0008 LYS C 3.058 H A 0009 LEU C
H A 0008 LYS C 3.701 H A 0009 LEU CB
H A 0008 LYS CE 3.583 H A 0048 PHE CE1
H A 0008 LYS CE 3.634 H A 0048 PHE CZ
H A 0009 LEU C 2.434 H A 0010 TRP CA
H A 0009 LEU C 3.059 H A 0010 TRP C
H A 0009 LEU C 3.702 H A 0010 TRP CB
H A 0009 LEU CG 3.422 H A 0013 VAL CG2
H A 0009 LEU CD1 3.433 H A 0013 VAL CG2
H A 0010 TRP C 2.437 H A 0011 SER CA
H A 0010 TRP C 3.399 H A 0011 SER C
H A 0010 TRP C 3.559 H A 0011 SER CB
H A 0011 SER C 2.434 H A 0012 MET CA
H A 0011 SER C 3.105 H A 0012 MET C
H A 0011 SER C 3.691 H A 0012 MET CB
H A 0012 MET C 2.428 H A 0013 VAL CA
H A 0012 MET C 2.994 H A 0013 VAL C
H A 0012 MET C 3.707 H A 0013 VAL CB
H A 0012 MET CE 3.500 H A 0039 PHE CZ
H A 0012 MET CG 3.579 H A 0047 TYR CD2
H A 0012 MET CG 3.729 H A 0047 TYR CE1
H A 0012 MET CG 3.294 H A 0047 TYR CE2
H A 0012 MET CG 3.377 H A 0047 TYR CZ
H A 0013 VAL C 2.437 H A 0014 ASN CA
H A 0013 VAL C 2.982 H A 0014 ASN C
H A 0013 VAL C 3.713 H A 0014 ASN CB
H A 0013 VAL CG1 3.439 E A 0024 TRP CD1
H A 0014 ASN C 2.457 C A 0015 ASP CA
H A 0014 ASN C 3.727 C A 0015 ASP C
H A 0014 ASN C 2.948 C A 0015 ASP CB
H A 0014 ASN C 3.132 C A 0015 ASP CG
C A 0015 ASP C 2.431 C A 0016 LYS CA
C A 0015 ASP C 3.233 C A 0016 LYS C
C A 0015 ASP C 3.645 C A 0016 LYS CB
C A 0015 ASP C 3.791 C A 0019 GLU CA
C A 0016 LYS C 2.431 C A 0017 SER CA
C A 0016 LYS C 3.164 C A 0017 SER C
C A 0016 LYS C 3.666 C A 0017 SER CB
C A 0017 SER C 2.440 C A 0018 ASN CA
C A 0017 SER C 3.342 C A 0018 ASN C
C A 0017 SER C 3.606 C A 0018 ASN CB
C A 0018 ASN C 2.425 C A 0019 GLU CA
C A 0018 ASN C 2.985 C A 0019 GLU C
C A 0018 ASN C 3.704 C A 0019 GLU CB
C A 0018 ASN CG 3.317 E A 0022 ILE CG2
C A 0019 GLU C 2.502 C A 0020 LYS CA
C A 0019 GLU C 3.367 C A 0020 LYS C
C A 0019 GLU C 2.919 C A 0020 LYS CB
C A 0020 LYS C 2.432 C A 0021 PHE CA
C A 0020 LYS C 3.591 C A 0021 PHE C
C A 0020 LYS C 3.337 C A 0021 PHE CB
C A 0020 LYS C 3.429 C A 0021 PHE CG
C A 0020 LYS C 3.794 C A 0021 PHE CD1
C A 0021 PHE C 2.436 E A 0022 ILE CA
C A 0021 PHE C 3.541 E A 0022 ILE C
C A 0021 PHE C 3.412 E A 0022 ILE CB
C A 0021 PHE CE1 3.795 H A 0038 ARG CB
C A 0021 PHE CE1 3.466 H A 0038 ARG CG
C A 0021 PHE CZ 3.627 H A 0038 ARG CG
E A 0022 ILE C 2.432 E A 0023 HIS CA
E A 0022 ILE C 3.567 E A 0023 HIS C
E A 0022 ILE C 3.370 E A 0023 HIS CB
E A 0022 ILE CG1 3.656 E A 0031 ILE CG2
E A 0022 ILE CD1 3.782 E A 0031 ILE CG2
E A 0023 HIS C 2.434 E A 0024 TRP CA
E A 0023 HIS C 3.084 E A 0024 TRP C
E A 0023 HIS C 3.696 E A 0024 TRP CB
E A 0023 HIS C 3.734 E A 0024 TRP CD1
E A 0024 TRP C 2.429 C A 0025 SER CA
E A 0024 TRP C 3.018 C A 0025 SER C
E A 0024 TRP C 3.698 C A 0025 SER CB
E A 0024 TRP CE3 3.638 C A 0027 SER C
E A 0024 TRP CE3 3.633 C A 0028 GLY CA
C A 0025 SER C 2.432 C A 0026 THR CA
C A 0025 SER C 3.650 C A 0026 THR C
C A 0025 SER C 3.221 C A 0026 THR CB
C A 0025 SER CA 3.323 E A 0032 VAL CG2
C A 0025 SER CB 3.472 E A 0032 VAL CG2
C A 0026 THR C 2.433 C A 0027 SER CA
C A 0026 THR C 3.651 C A 0027 SER C
C A 0026 THR C 3.237 C A 0027 SER CB
C A 0027 SER C 2.433 C A 0028 GLY CA
C A 0027 SER C 3.413 C A 0028 GLY C
C A 0028 GLY C 2.439 C A 0029 GLU CA
C A 0028 GLY C 2.991 C A 0029 GLU C
C A 0028 GLY C 2.999 C A 0029 GLU CB
C A 0029 GLU C 2.445 C A 0030 SER CA
C A 0029 GLU C 3.719 C A 0030 SER C
C A 0029 GLU C 2.942 C A 0030 SER CB
C A 0030 SER C 2.437 E A 0031 ILE CA
C A 0030 SER C 3.427 E A 0031 ILE C
C A 0030 SER C 3.520 E A 0031 ILE CB
C A 0030 SER C 3.532 E A 0031 ILE CG1
C A 0030 SER CB 3.690 E A 0085 GLU CG
C A 0030 SER CB 3.353 E A 0085 GLU CD
E A 0031 ILE C 2.431 E A 0032 VAL CA
E A 0031 ILE C 3.534 E A 0032 VAL C
E A 0031 ILE C 3.425 E A 0032 VAL CB
E A 0031 ILE C 3.351 E A 0032 VAL CG2
E A 0032 VAL C 2.433 E A 0033 VAL CA
E A 0032 VAL C 3.441 E A 0033 VAL C
E A 0032 VAL C 3.513 E A 0033 VAL CB
E A 0032 VAL C 3.545 E A 0033 VAL CG2
E A 0032 VAL C 3.799 E A 0034 PRO CD
E A 0033 VAL CA 2.946 E A 0034 PRO CD
E A 0033 VAL C 2.408 E A 0034 PRO CA
E A 0033 VAL C 2.992 E A 0034 PRO C
E A 0033 VAL C 3.634 E A 0034 PRO CB
E A 0033 VAL C 3.695 E A 0034 PRO CG
E A 0033 VAL C 2.525 E A 0034 PRO CD
E A 0033 VAL CG1 3.254 H A 0036 ARG CA
E A 0033 VAL CG1 3.468 H A 0036 ARG CB
E A 0033 VAL CG2 3.754 E A 0086 PHE CE1
E A 0034 PRO C 2.432 C A 0035 ASN CA
E A 0034 PRO C 3.493 C A 0035 ASN C
E A 0034 PRO C 3.458 C A 0035 ASN CB
E A 0034 PRO C 3.475 C A 0035 ASN CG
E A 0034 PRO CA 3.552 C A 0083 ARG CG
C A 0035 ASN C 2.431 H A 0036 ARG CA
C A 0035 ASN C 3.022 H A 0036 ARG C
C A 0035 ASN C 3.699 H A 0036 ARG CB
H A 0036 ARG C 2.431 H A 0037 GLU CA
H A 0036 ARG C 3.034 H A 0037 GLU C
H A 0036 ARG C 3.702 H A 0037 GLU CB
H A 0036 ARG CG 3.675 C A 0082 SER CA
H A 0036 ARG CD 3.595 C A 0082 SER CA
H A 0037 GLU C 2.437 H A 0038 ARG CA
H A 0037 GLU C 2.978 H A 0038 ARG C
H A 0037 GLU C 3.709 H A 0038 ARG CB
H A 0038 ARG C 2.432 H A 0039 PHE CA
H A 0038 ARG C 3.003 H A 0039 PHE C
H A 0038 ARG C 3.709 H A 0039 PHE CB
H A 0039 PHE C 2.452 H A 0040 VAL CA
H A 0039 PHE C 2.938 H A 0040 VAL C
H A 0039 PHE C 3.708 H A 0040 VAL CB
H A 0039 PHE CD2 3.707 H A 0040 VAL CA
H A 0039 PHE CD2 3.780 H A 0040 VAL CG2
H A 0039 PHE CA 3.596 H A 0043 VAL CG2
H A 0039 PHE C 3.586 H A 0043 VAL CB
H A 0039 PHE C 3.633 H A 0043 VAL CG2
H A 0039 PHE CD1 3.640 H A 0043 VAL CB
H A 0039 PHE CD1 3.643 H A 0043 VAL CG1
H A 0039 PHE CD1 3.789 H A 0043 VAL CG2
H A 0039 PHE CE1 3.731 H A 0043 VAL CB
H A 0039 PHE CE1 3.230 H A 0043 VAL CG1
H A 0039 PHE CZ 3.712 H A 0043 VAL CG1
H A 0040 VAL C 2.439 H A 0041 GLN CA
H A 0040 VAL C 2.988 H A 0041 GLN C
H A 0040 VAL C 3.698 H A 0041 GLN CB
H A 0041 GLN C 2.432 H A 0042 GLU CA
H A 0041 GLN C 3.578 H A 0042 GLU C
H A 0041 GLN C 3.391 H A 0042 GLU CB
H A 0041 GLN C 3.299 H A 0042 GLU CG
H A 0042 GLU C 2.434 H A 0043 VAL CA
H A 0042 GLU C 3.671 H A 0043 VAL C
H A 0042 GLU C 3.217 H A 0043 VAL CB
H A 0042 GLU C 2.993 H A 0043 VAL CG2
H A 0043 VAL C 2.433 H A 0044 LEU CA
H A 0043 VAL C 3.012 H A 0044 LEU C
H A 0043 VAL C 3.718 H A 0044 LEU CB
H A 0043 VAL C 3.480 H A 0045 PRO CD
H A 0044 LEU CA 2.992 H A 0045 PRO CD
H A 0044 LEU C 2.404 H A 0045 PRO CA
H A 0044 LEU C 3.102 H A 0045 PRO C
H A 0044 LEU C 3.620 H A 0045 PRO CB
H A 0044 LEU C 3.713 H A 0045 PRO CG
H A 0044 LEU C 2.554 H A 0045 PRO CD
H A 0044 LEU CB 3.289 H A 0045 PRO CD
H A 0044 LEU CD2 3.487 C A 0051 SER C
H A 0044 LEU CD2 3.224 C A 0052 ASN CA
H A 0044 LEU CD2 3.030 C A 0052 ASN C
H A 0044 LEU CD1 3.473 H A 0056 PHE CD2
H A 0045 PRO C 2.439 H A 0046 LYS CA
H A 0045 PRO C 3.278 H A 0046 LYS C
H A 0045 PRO C 3.637 H A 0046 LYS CB
H A 0046 LYS C 2.441 H A 0047 TYR CA
H A 0046 LYS C 3.670 H A 0047 TYR C
H A 0046 LYS C 3.185 H A 0047 TYR CB
H A 0046 LYS C 3.230 H A 0047 TYR CG
H A 0046 LYS C 3.148 H A 0047 TYR CD2
H A 0047 TYR C 2.436 H A 0048 PHE CA
H A 0047 TYR C 3.426 H A 0048 PHE C
H A 0047 TYR C 3.522 H A 0048 PHE CB
H A 0047 TYR C 3.596 H A 0048 PHE CG
H A 0048 PHE C 2.474 C A 0049 LYS CA
H A 0048 PHE C 2.961 C A 0049 LYS C
H A 0048 PHE C 3.260 C A 0049 LYS CB
H A 0048 PHE C 2.959 C A 0049 LYS CG
H A 0048 PHE CB 3.746 C A 0051 SER CB
H A 0048 PHE CE2 3.783 H A 0056 PHE CE2
C A 0049 LYS C 2.434 C A 0050 HIS CA
C A 0049 LYS C 3.548 C A 0050 HIS C
C A 0049 LYS C 3.413 C A 0050 HIS CB
C A 0049 LYS C 3.473 C A 0050 HIS CG
C A 0050 HIS C 2.429 C A 0051 SER CA
C A 0050 HIS C 3.243 C A 0051 SER C
C A 0050 HIS C 3.636 C A 0051 SER CB
C A 0051 SER C 2.433 C A 0052 ASN CA
C A 0051 SER C 3.501 C A 0052 ASN C
C A 0051 SER C 3.454 C A 0052 ASN CB
C A 0051 SER C 3.600 C A 0052 ASN CG
C A 0052 ASN C 2.445 C A 0053 PHE CA
C A 0052 ASN C 2.959 C A 0053 PHE C
C A 0052 ASN C 3.736 C A 0053 PHE CB
C A 0053 PHE C 2.433 H A 0054 ALA CA
C A 0053 PHE C 3.019 H A 0054 ALA C
C A 0053 PHE C 3.701 H A 0054 ALA CB
H A 0054 ALA C 2.434 H A 0055 SER CA
H A 0054 ALA C 3.029 H A 0055 SER C
H A 0054 ALA C 3.700 H A 0055 SER CB
H A 0055 SER C 2.437 H A 0056 PHE CA
H A 0055 SER C 2.993 H A 0056 PHE C
H A 0055 SER C 3.708 H A 0056 PHE CB
H A 0055 SER C 3.800 H A 0059 GLN CD
H A 0056 PHE C 2.433 H A 0057 VAL CA
H A 0056 PHE C 3.033 H A 0057 VAL C
H A 0056 PHE C 3.700 H A 0057 VAL CB
H A 0056 PHE CD1 3.373 H A 0060 LEU CD1
H A 0056 PHE CE1 3.599 H A 0060 LEU CD1
H A 0057 VAL C 2.433 H A 0058 ARG CA
H A 0057 VAL C 2.991 H A 0058 ARG C
H A 0057 VAL C 3.700 H A 0058 ARG CB
H A 0057 VAL CG1 3.672 E A 0067 LYS CB
H A 0057 VAL CG1 3.631 E A 0067 LYS CG
H A 0058 ARG C 2.436 H A 0059 GLN CA
H A 0058 ARG C 3.007 H A 0059 GLN C
H A 0058 ARG C 3.706 H A 0059 GLN CB
H A 0059 GLN C 2.438 H A 0060 LEU CA
H A 0059 GLN C 2.981 H A 0060 LEU C
H A 0059 GLN C 3.700 H A 0060 LEU CB
H A 0059 GLN CA 3.531 H A 0062 MET CG
H A 0059 GLN C 3.640 H A 0062 MET CG
H A 0059 GLN C 3.548 H A 0063 TYR CD2
H A 0060 LEU C 2.438 H A 0061 ASN CA
H A 0060 LEU C 3.142 H A 0061 ASN C
H A 0060 LEU C 3.686 H A 0061 ASN CB
H A 0060 LEU CA 3.742 E A 0065 TRP CB
H A 0060 LEU C 3.621 E A 0065 TRP C
H A 0060 LEU CB 3.409 E A 0065 TRP CB
H A 0060 LEU CD2 3.574 E A 0065 TRP CB
H A 0060 LEU CD1 3.482 E A 0086 PHE CD2
H A 0060 LEU CD1 3.234 E A 0086 PHE CE2
H A 0061 ASN C 2.439 H A 0062 MET CA
H A 0061 ASN C 3.096 H A 0062 MET C
H A 0061 ASN C 3.704 H A 0062 MET CB
H A 0062 MET C 2.433 H A 0063 TYR CA
H A 0062 MET C 3.392 H A 0063 TYR C
H A 0062 MET C 3.562 H A 0063 TYR CB
H A 0062 MET C 3.762 H A 0063 TYR CG
H A 0063 TYR C 2.431 C A 0064 GLY CA
H A 0063 TYR C 3.652 C A 0064 GLY C
C A 0064 GLY C 2.432 E A 0065 TRP CA
C A 0064 GLY C 3.003 E A 0065 TRP C
C A 0064 GLY C 3.700 E A 0065 TRP CB
C A 0064 GLY C 3.647 E A 0066 HIS CE1
E A 0065 TRP C 2.436 E A 0066 HIS CA
E A 0065 TRP C 3.677 E A 0066 HIS C
E A 0065 TRP C 3.180 E A 0066 HIS CB
E A 0065 TRP C 3.122 E A 0066 HIS CG
E A 0065 TRP CE3 3.733 C A 0087 GLU C
E A 0065 TRP CE3 3.749 C A 0088 ASN CA
E A 0066 HIS C 2.433 E A 0067 LYS CA
E A 0066 HIS C 3.179 E A 0067 LYS C
E A 0066 HIS C 3.664 E A 0067 LYS CB
E A 0067 LYS C 2.435 E A 0068 VAL CA
E A 0067 LYS C 3.681 E A 0068 VAL C
E A 0067 LYS C 3.146 E A 0068 VAL CB
E A 0067 LYS C 3.723 E A 0068 VAL CG1
E A 0067 LYS CG 3.466 E A 0084 TRP CZ3
E A 0067 LYS CE 3.536 E A 0084 TRP CZ3
E A 0067 LYS CE 3.695 E A 0084 TRP CH2
E A 0068 VAL C 2.430 C A 0069 GLN CA
E A 0068 VAL C 3.552 C A 0069 GLN C
E A 0068 VAL C 3.379 C A 0069 GLN CB
E A 0068 VAL C 3.634 C A 0069 GLN CG
C A 0069 GLN C 2.430 C A 0070 ASP CA
C A 0069 GLN C 3.514 C A 0070 ASP C
C A 0069 GLN C 3.429 C A 0070 ASP CB
C A 0070 ASP C 2.431 C A 0071 VAL CA
C A 0070 ASP C 3.538 C A 0071 VAL C
C A 0070 ASP C 3.405 C A 0071 VAL CB
C A 0070 ASP C 3.314 C A 0071 VAL CG2
C A 0071 VAL C 2.432 C A 0072 LYS CA
C A 0071 VAL C 3.171 C A 0072 LYS C
C A 0071 VAL C 3.666 C A 0072 LYS CB
C A 0072 LYS C 2.431 C A 0073 SER CA
C A 0072 LYS C 3.234 C A 0073 SER C
C A 0072 LYS C 3.640 C A 0073 SER CB
C A 0073 SER C 2.446 C A 0074 GLY CA
C A 0073 SER C 2.958 C A 0074 GLY C
C A 0074 GLY C 2.432 C A 0075 SER CA
C A 0074 GLY C 3.001 C A 0075 SER C
C A 0074 GLY C 3.701 C A 0075 SER CB
C A 0074 GLY CA 3.797 C A 0077 LEU CB
C A 0075 SER C 2.435 C A 0076 MET CA
C A 0075 SER C 3.639 C A 0076 MET C
C A 0075 SER C 3.250 C A 0076 MET CB
C A 0075 SER C 3.719 C A 0076 MET CG
C A 0076 MET C 2.432 C A 0077 LEU CA
C A 0076 MET C 3.133 C A 0077 LEU C
C A 0076 MET C 3.682 C A 0077 LEU CB
C A 0077 LEU C 2.438 C A 0078 SER CA
C A 0077 LEU C 2.990 C A 0078 SER C
C A 0077 LEU C 2.976 C A 0078 SER CB
C A 0078 SER C 2.430 C A 0079 ASN CA
C A 0078 SER C 3.653 C A 0079 ASN C
C A 0078 SER C 3.214 C A 0079 ASN CB
C A 0079 ASN C 2.432 C A 0080 ASN CA
C A 0079 ASN C 3.681 C A 0080 ASN C
C A 0079 ASN C 3.138 C A 0080 ASN CB
C A 0079 ASN C 3.690 C A 0080 ASN CG
C A 0080 ASN C 2.431 C A 0081 ASP CA
C A 0080 ASN C 3.610 C A 0081 ASP C
C A 0080 ASN C 3.298 C A 0081 ASP CB
C A 0081 ASP C 2.432 C A 0082 SER CA
C A 0081 ASP C 3.641 C A 0082 SER C
C A 0081 ASP C 3.239 C A 0082 SER CB
C A 0082 SER C 2.432 C A 0083 ARG CA
C A 0082 SER C 3.698 C A 0083 ARG C
C A 0082 SER C 2.995 C A 0083 ARG CB
C A 0083 ARG C 2.435 E A 0084 TRP CA
C A 0083 ARG C 3.518 E A 0084 TRP C
C A 0083 ARG C 3.481 E A 0084 TRP CB
C A 0083 ARG C 3.778 E A 0084 TRP CG
C A 0083 ARG C 3.418 E A 0084 TRP CD1
E A 0084 TRP C 2.433 E A 0085 GLU CA
E A 0084 TRP C 3.522 E A 0085 GLU C
E A 0084 TRP C 3.439 E A 0085 GLU CB
E A 0084 TRP CZ3 3.357 E A 0086 PHE CE1
E A 0084 TRP CZ3 3.302 E A 0086 PHE CE2
E A 0084 TRP CZ3 2.979 E A 0086 PHE CZ
E A 0084 TRP CH2 3.661 E A 0086 PHE CE1
E A 0084 TRP CH2 3.739 E A 0086 PHE CE2
E A 0084 TRP CH2 3.095 E A 0086 PHE CZ
E A 0085 GLU C 2.446 E A 0086 PHE CA
E A 0085 GLU C 2.951 E A 0086 PHE C
E A 0085 GLU C 3.707 E A 0086 PHE CB
E A 0086 PHE C 2.434 C A 0087 GLU CA
E A 0086 PHE C 3.387 C A 0087 GLU C
E A 0086 PHE C 3.551 C A 0087 GLU CB
C A 0087 GLU C 2.429 C A 0088 ASN CA
C A 0087 GLU C 3.208 C A 0088 ASN C
C A 0087 GLU C 3.659 C A 0088 ASN CB
C A 0088 ASN C 2.434 C A 0089 GLU CA
C A 0088 ASN C 3.704 C A 0089 GLU C
C A 0088 ASN C 3.061 C A 0089 GLU CB
C A 0088 ASN C 3.493 C A 0089 GLU CG
C A 0089 GLU C 2.431 C A 0090 ARG CA
C A 0089 GLU C 3.141 C A 0090 ARG C
C A 0089 GLU C 3.679 C A 0090 ARG CB
C A 0090 ARG C 2.436 C A 0091 HIS CA
C A 0090 ARG C 3.587 C A 0091 HIS C
C A 0090 ARG C 3.351 C A 0091 HIS CB
C A 0090 ARG C 3.779 C A 0091 HIS CD2
C A 0091 HIS C 2.435 C A 0092 ALA CA
C A 0091 HIS C 3.613 C A 0092 ALA C
C A 0091 HIS C 3.296 C A 0092 ALA CB
CHARGE_ATTR 2.00 12.00 79
C A 0015 ASP OD1 8.819 C A 0016 LYS NZ
C A 0015 ASP OD2 10.34 C A 0016 LYS NZ
C A 0015 ASP OD1 11.60 C A 0020 LYS NZ
C A 0015 ASP OD1 8.423 E A 0023 HIS ND1
C A 0015 ASP OD1 6.831 E A 0023 HIS NE2
C A 0015 ASP OD2 6.901 E A 0023 HIS ND1
C A 0015 ASP OD2 5.114 E A 0023 HIS NE2
C A 0019 GLU OE1 7.961 C A 0016 LYS NZ
C A 0019 GLU OE2 9.708 C A 0016 LYS NZ
C A 0019 GLU OE1 10.65 C A 0020 LYS NZ
C A 0019 GLU OE2 9.130 C A 0020 LYS NZ
C A 0019 GLU OE2 11.70 H A 0038 ARG NH1
C A 0019 GLU OE1 10.11 H A 0046 LYS NZ
C A 0019 GLU OE2 11.06 H A 0046 LYS NZ
H A 0037 GLU OE1 8.498 H A 0036 ARG NH1
H A 0037 GLU OE1 8.344 H A 0036 ARG NH2
H A 0037 GLU OE2 7.813 H A 0036 ARG NH1
H A 0037 GLU OE2 7.756 H A 0036 ARG NH2
H A 0037 GLU OE1 8.302 H A 0038 ARG NH1
H A 0037 GLU OE1 6.518 H A 0038 ARG NH2
H A 0037 GLU OE2 9.876 H A 0038 ARG NH1
H A 0037 GLU OE2 8.043 H A 0038 ARG NH2
H A 0042 GLU OE1 8.811 H A 0038 ARG NH1
H A 0042 GLU OE1 9.474 H A 0038 ARG NH2
H A 0042 GLU OE2 7.346 H A 0038 ARG NH1
H A 0042 GLU OE2 7.825 H A 0038 ARG NH2
H A 0042 GLU OE1 3.827 H A 0046 LYS NZ
H A 0042 GLU OE2 5.220 H A 0046 LYS NZ
H A 0042 GLU OE1 10.09 C A 0050 HIS ND1
H A 0042 GLU OE1 11.08 C A 0050 HIS NE2
H A 0042 GLU OE2 11.74 C A 0050 HIS ND1
C A 0070 ASP OD1 5.226 C A 0072 LYS NZ
C A 0070 ASP OD2 3.793 C A 0072 LYS NZ
C A 0070 ASP OD1 5.769 C A 0090 ARG NH1
C A 0070 ASP OD1 4.010 C A 0090 ARG NH2
C A 0070 ASP OD2 5.004 C A 0090 ARG NH1
C A 0070 ASP OD2 4.024 C A 0090 ARG NH2
C A 0070 ASP OD1 9.071 C A 0091 HIS ND1
C A 0070 ASP OD1 8.431 C A 0091 HIS NE2
C A 0070 ASP OD2 8.142 C A 0091 HIS ND1
C A 0070 ASP OD2 7.063 C A 0091 HIS NE2
C A 0081 ASP OD1 5.288 H A 0036 ARG NH1
C A 0081 ASP OD1 3.281 H A 0036 ARG NH2
C A 0081 ASP OD2 7.418 H A 0036 ARG NH1
C A 0081 ASP OD2 5.418 H A 0036 ARG NH2
C A 0081 ASP OD1 10.31 E A 0067 LYS NZ
C A 0081 ASP OD2 11.23 E A 0067 LYS NZ
C A 0081 ASP OD1 11.86 C A 0083 ARG NH2
C A 0081 ASP OD2 11.52 C A 0083 ARG NH2
E A 0085 GLU OE2 11.49 E A 0023 HIS ND1
E A 0085 GLU OE1 10.75 C A 0083 ARG NH1
E A 0085 GLU OE1 9.103 C A 0083 ARG NH2
E A 0085 GLU OE2 10.49 C A 0083 ARG NH1
E A 0085 GLU OE2 9.204 C A 0083 ARG NH2
C A 0087 GLU OE1 8.484 E A 0066 HIS ND1
C A 0087 GLU OE1 9.961 E A 0066 HIS NE2
C A 0087 GLU OE2 8.667 E A 0066 HIS ND1
C A 0087 GLU OE2 10.31 E A 0066 HIS NE2
C A 0087 GLU OE1 11.40 E A 0067 LYS NZ
C A 0087 GLU OE1 10.49 C A 0072 LYS NZ
C A 0087 GLU OE2 10.77 C A 0072 LYS NZ
C A 0087 GLU OE1 7.332 C A 0090 ARG NH1
C A 0087 GLU OE1 7.758 C A 0090 ARG NH2
C A 0087 GLU OE2 7.996 C A 0090 ARG NH1
C A 0087 GLU OE2 8.913 C A 0090 ARG NH2
C A 0087 GLU OE1 10.41 C A 0091 HIS ND1
C A 0087 GLU OE1 9.555 C A 0091 HIS NE2
C A 0087 GLU OE2 10.37 C A 0091 HIS ND1
C A 0087 GLU OE2 9.304 C A 0091 HIS NE2
C A 0089 GLU OE1 7.304 E A 0066 HIS ND1
C A 0089 GLU OE1 8.459 E A 0066 HIS NE2
C A 0089 GLU OE2 8.208 E A 0066 HIS ND1
C A 0089 GLU OE2 9.654 E A 0066 HIS NE2
C A 0089 GLU OE1 10.20 C A 0090 ARG NH1
C A 0089 GLU OE2 10.10 C A 0090 ARG NH1
C A 0089 GLU OE1 9.440 C A 0091 HIS ND1
C A 0089 GLU OE1 9.219 C A 0091 HIS NE2
C A 0089 GLU OE2 9.885 C A 0091 HIS ND1
C A 0089 GLU OE2 9.203 C A 0091 HIS NE2
CHARGE_REPU 2.00 12.00 64
H A 0008 LYS NZ 10.21 C A 0049 LYS NZ
C A 0015 ASP OD1 6.812 C A 0019 GLU OE1
C A 0015 ASP OD1 7.686 C A 0019 GLU OE2
C A 0015 ASP OD2 8.583 C A 0019 GLU OE1
C A 0015 ASP OD2 9.471 C A 0019 GLU OE2
C A 0020 LYS NZ 10.41 E A 0023 HIS ND1
C A 0020 LYS NZ 11.35 E A 0023 HIS NE2
C A 0020 LYS NZ 10.79 H A 0038 ARG NH1
C A 0029 GLU OE1 10.56 E A 0085 GLU OE1
C A 0029 GLU OE1 9.439 E A 0085 GLU OE2
C A 0029 GLU OE2 11.06 E A 0085 GLU OE1
C A 0029 GLU OE2 10.19 E A 0085 GLU OE2
C A 0029 GLU OE1 11.48 C A 0087 GLU OE2
C A 0029 GLU OE2 11.08 C A 0087 GLU OE2
C A 0029 GLU OE1 11.38 C A 0089 GLU OE1
C A 0029 GLU OE1 10.28 C A 0089 GLU OE2
C A 0029 GLU OE2 10.19 C A 0089 GLU OE1
C A 0029 GLU OE2 9.017 C A 0089 GLU OE2
H A 0036 ARG NH1 8.925 E A 0067 LYS NZ
H A 0036 ARG NH2 9.845 E A 0067 LYS NZ
H A 0037 GLU OE1 11.21 H A 0042 GLU OE1
H A 0037 GLU OE1 10.16 H A 0042 GLU OE2
H A 0037 GLU OE2 11.48 H A 0042 GLU OE1
H A 0037 GLU OE2 10.46 H A 0042 GLU OE2
H A 0037 GLU OE1 10.73 C A 0081 ASP OD1
H A 0037 GLU OE2 10.22 C A 0081 ASP OD1
H A 0037 GLU OE2 11.95 C A 0081 ASP OD2
H A 0038 ARG NH1 9.682 H A 0046 LYS NZ
H A 0038 ARG NH2 11.08 H A 0046 LYS NZ
H A 0046 LYS NZ 11.49 C A 0050 HIS ND1
C A 0049 LYS NZ 9.069 C A 0050 HIS ND1
C A 0049 LYS NZ 9.107 C A 0050 HIS NE2
H A 0058 ARG NH1 9.908 E A 0067 LYS NZ
H A 0058 ARG NH2 10.86 E A 0067 LYS NZ
E A 0066 HIS ND1 9.183 C A 0090 ARG NH1
E A 0066 HIS ND1 10.31 C A 0090 ARG NH2
E A 0066 HIS NE2 9.069 C A 0090 ARG NH1
E A 0066 HIS NE2 10.12 C A 0090 ARG NH2
E A 0066 HIS ND1 10.15 C A 0091 HIS ND1
E A 0066 HIS ND1 10.92 C A 0091 HIS NE2
E A 0066 HIS NE2 9.629 C A 0091 HIS ND1
E A 0066 HIS NE2 10.82 C A 0091 HIS NE2
C A 0070 ASP OD1 9.213 C A 0087 GLU OE1
C A 0070 ASP OD1 10.50 C A 0087 GLU OE2
C A 0070 ASP OD2 8.049 C A 0087 GLU OE1
C A 0070 ASP OD2 9.008 C A 0087 GLU OE2
C A 0072 LYS NZ 6.312 C A 0090 ARG NH1
C A 0072 LYS NZ 6.346 C A 0090 ARG NH2
C A 0072 LYS NZ 7.497 C A 0091 HIS ND1
C A 0072 LYS NZ 5.949 C A 0091 HIS NE2
E A 0085 GLU OE1 5.708 C A 0087 GLU OE1
E A 0085 GLU OE1 5.770 C A 0087 GLU OE2
E A 0085 GLU OE2 7.713 C A 0087 GLU OE1
E A 0085 GLU OE2 7.460 C A 0087 GLU OE2
E A 0085 GLU OE1 11.04 C A 0089 GLU OE2
E A 0085 GLU OE2 11.91 C A 0089 GLU OE2
C A 0087 GLU OE1 9.406 C A 0089 GLU OE1
C A 0087 GLU OE1 8.221 C A 0089 GLU OE2
C A 0087 GLU OE2 7.945 C A 0089 GLU OE1
C A 0087 GLU OE2 6.459 C A 0089 GLU OE2
C A 0090 ARG NH1 4.118 C A 0091 HIS ND1
C A 0090 ARG NH1 4.095 C A 0091 HIS NE2
C A 0090 ARG NH2 6.012 C A 0091 HIS ND1
C A 0090 ARG NH2 6.036 C A 0091 HIS NE2
HB_MM 2.00 3.20 129
C A 0002 ARG N 2.207 C A 0001 ALA O
C A 0003 PRO N 2.236 C A 0002 ARG O
H A 0004 ALA N 2.203 C A 0003 PRO O
H A 0005 PHE N 2.205 H A 0004 ALA O
H A 0006 VAL N 2.198 H A 0005 PHE O
H A 0007 ASN N 3.197 C A 0003 PRO O
H A 0007 ASN N 2.207 H A 0006 VAL O
H A 0008 LYS N 3.081 H A 0004 ALA O
H A 0008 LYS N 2.206 H A 0007 ASN O
H A 0009 LEU N 3.084 H A 0005 PHE O
H A 0009 LEU N 2.206 H A 0008 LYS O
H A 0010 TRP N 2.202 H A 0009 LEU O
H A 0011 SER N 3.189 H A 0008 LYS O
H A 0011 SER N 3.025 H A 0009 LEU O
H A 0011 SER N 2.206 H A 0010 TRP O
H A 0012 MET N 2.203 H A 0011 SER O
H A 0013 VAL N 3.176 H A 0009 LEU O
H A 0013 VAL N 2.203 H A 0012 MET O
H A 0014 ASN N 2.987 H A 0012 MET O
H A 0014 ASN N 2.207 H A 0013 VAL O
C A 0015 ASP N 2.207 H A 0014 ASN O
C A 0016 LYS N 2.205 C A 0015 ASP O
C A 0017 SER N 2.204 C A 0016 LYS O
C A 0018 ASN N 2.204 C A 0017 SER O
C A 0019 GLU N 2.210 C A 0018 ASN O
C A 0020 LYS N 2.780 C A 0018 ASN O
C A 0020 LYS N 2.225 C A 0019 GLU O
C A 0021 PHE N 2.994 C A 0018 ASN O
C A 0021 PHE N 2.205 C A 0020 LYS O
E A 0022 ILE N 2.205 C A 0021 PHE O
E A 0023 HIS N 2.205 E A 0022 ILE O
E A 0024 TRP N 2.206 E A 0023 HIS O
C A 0025 SER N 2.205 E A 0024 TRP O
C A 0026 THR N 2.205 C A 0025 SER O
C A 0027 SER N 2.205 C A 0026 THR O
C A 0028 GLY N 2.206 C A 0027 SER O
C A 0029 GLU N 2.207 C A 0028 GLY O
C A 0030 SER N 2.911 C A 0028 GLY O
C A 0030 SER N 2.206 C A 0029 GLU O
E A 0031 ILE N 2.206 C A 0030 SER O
E A 0032 VAL N 2.200 E A 0031 ILE O
E A 0033 VAL N 2.207 E A 0032 VAL O
E A 0034 PRO N 2.236 E A 0033 VAL O
C A 0035 ASN N 2.205 E A 0034 PRO O
H A 0036 ARG N 2.205 C A 0035 ASN O
H A 0037 GLU N 3.136 C A 0035 ASN O
H A 0037 GLU N 2.196 H A 0036 ARG O
H A 0038 ARG N 2.204 H A 0037 GLU O
H A 0039 PHE N 3.152 C A 0035 ASN O
H A 0039 PHE N 3.073 H A 0037 GLU O
H A 0039 PHE N 2.204 H A 0038 ARG O
H A 0040 VAL N 3.086 H A 0036 ARG O
H A 0040 VAL N 2.196 H A 0039 PHE O
H A 0041 GLN N 3.166 H A 0037 GLU O
H A 0041 GLN N 2.197 H A 0040 VAL O
H A 0042 GLU N 3.047 H A 0038 ARG O
H A 0042 GLU N 2.943 H A 0039 PHE O
H A 0042 GLU N 2.973 H A 0040 VAL O
H A 0042 GLU N 2.202 H A 0041 GLN O
H A 0043 VAL N 2.535 H A 0039 PHE O
H A 0043 VAL N 2.200 H A 0042 GLU O
H A 0044 LEU N 3.163 H A 0040 VAL O
H A 0044 LEU N 2.205 H A 0043 VAL O
H A 0045 PRO N 2.236 H A 0044 LEU O
H A 0046 LYS N 3.068 H A 0043 VAL O
H A 0046 LYS N 3.174 H A 0044 LEU O
H A 0046 LYS N 2.208 H A 0045 PRO O
H A 0047 TYR N 2.206 H A 0046 LYS O
H A 0048 PHE N 2.208 H A 0047 TYR O
C A 0049 LYS N 2.210 H A 0048 PHE O
C A 0050 HIS N 2.678 H A 0048 PHE O
C A 0050 HIS N 2.206 C A 0049 LYS O
C A 0051 SER N 3.060 H A 0048 PHE O
C A 0051 SER N 2.203 C A 0050 HIS O
C A 0052 ASN N 2.205 C A 0051 SER O
C A 0053 PHE N 2.206 C A 0052 ASN O
H A 0054 ALA N 2.961 C A 0052 ASN O
H A 0054 ALA N 2.206 C A 0053 PHE O
H A 0055 SER N 2.893 C A 0052 ASN O
H A 0055 SER N 2.205 H A 0054 ALA O
H A 0056 PHE N 2.204 H A 0055 SER O
H A 0057 VAL N 2.205 H A 0056 PHE O
H A 0058 ARG N 3.170 H A 0054 ALA O
H A 0058 ARG N 3.104 H A 0055 SER O
H A 0058 ARG N 2.205 H A 0057 VAL O
H A 0059 GLN N 2.203 H A 0058 ARG O
H A 0060 LEU N 2.202 H A 0059 GLN O
H A 0061 ASN N 3.159 H A 0057 VAL O
H A 0061 ASN N 3.183 H A 0058 ARG O
H A 0061 ASN N 3.112 H A 0059 GLN O
H A 0061 ASN N 2.202 H A 0060 LEU O
H A 0062 MET N 3.196 H A 0058 ARG O
H A 0062 MET N 2.203 H A 0061 ASN O
H A 0063 TYR N 3.112 H A 0059 GLN O
H A 0063 TYR N 3.073 H A 0061 ASN O
H A 0063 TYR N 2.205 H A 0062 MET O
C A 0064 GLY N 3.093 H A 0060 LEU O
C A 0064 GLY N 2.205 H A 0063 TYR O
E A 0065 TRP N 2.592 H A 0060 LEU O
E A 0065 TRP N 2.202 C A 0064 GLY O
E A 0066 HIS N 2.206 E A 0065 TRP O
E A 0066 HIS N 3.062 C A 0087 GLU O
E A 0067 LYS N 2.204 E A 0066 HIS O
E A 0068 VAL N 2.205 E A 0067 LYS O
C A 0069 GLN N 2.201 E A 0068 VAL O
C A 0070 ASP N 2.205 C A 0069 GLN O
C A 0071 VAL N 2.205 C A 0070 ASP O
C A 0072 LYS N 2.205 C A 0071 VAL O
C A 0073 SER N 2.205 C A 0072 LYS O
C A 0074 GLY N 2.206 C A 0073 SER O
C A 0075 SER N 2.206 C A 0074 GLY O
C A 0076 MET N 2.206 C A 0075 SER O
C A 0077 LEU N 2.205 C A 0076 MET O
C A 0078 SER N 2.205 C A 0077 LEU O
C A 0079 ASN N 2.205 C A 0078 SER O
C A 0080 ASN N 2.206 C A 0079 ASN O
C A 0081 ASP N 2.205 C A 0080 ASN O
C A 0082 SER N 2.204 C A 0081 ASP O
C A 0083 ARG N 2.204 C A 0082 SER O
E A 0084 TRP N 2.206 C A 0083 ARG O
E A 0085 GLU N 2.213 E A 0084 TRP O
E A 0086 PHE N 2.864 E A 0031 ILE O
E A 0086 PHE N 2.205 E A 0085 GLU O
C A 0087 GLU N 2.206 E A 0086 PHE O
C A 0088 ASN N 2.202 C A 0087 GLU O
C A 0089 GLU N 2.205 C A 0088 ASN O
C A 0090 ARG N 2.206 C A 0089 GLU O
C A 0091 HIS N 2.204 C A 0090 ARG O
C A 0092 ALA N 2.205 C A 0091 HIS O
HB_MS 2.00 3.20 14
C A 0003 PRO O 2.664 H A 0007 ASN ND2
H A 0006 VAL O 3.029 H A 0010 TRP NE1
H A 0012 MET O 2.925 C A 0018 ASN ND2
C A 0025 SER O 2.815 C A 0026 THR OG1
C A 0026 THR N 2.749 C A 0025 SER OG
C A 0028 GLY O 2.914 C A 0030 SER OG
C A 0029 GLU O 2.835 C A 0030 SER OG
C A 0049 LYS O 2.989 C A 0050 HIS ND1
H A 0055 SER O 2.677 H A 0059 GLN NE2
C A 0064 GLY O 2.619 E A 0066 HIS ND1
E A 0065 TRP O 2.648 E A 0066 HIS ND1
C A 0071 VAL N 3.141 C A 0070 ASP OD1
C A 0076 MET N 3.155 C A 0075 SER OG
C A 0081 ASP O 2.945 H A 0036 ARG NH2
AROMATIC 0.00 8.00 8
H A 0038 ARG 6.135 C A 0021 PHE
C A 0072 LYS 6.894 C A 0091 HIS
H A 0005 PHE 4.740 H A 0063 TYR
H A 0036 ARG 6.066 C A 0053 PHE
E A 0067 LYS 7.050 C A 0053 PHE
H A 0008 LYS 6.073 H A 0005 PHE
H A 0048 PHE 5.880 H A 0056 PHE
H A 0008 LYS 4.630 H A 0048 PHE