Complet list of 1jfw con file
Complete list of 1jfw.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 343
C A 0001 MET C 2.498 C A 0002 GLU CA
C A 0001 MET C 3.336 C A 0002 GLU C
C A 0001 MET C 3.658 C A 0002 GLU CB
C A 0001 MET C 3.790 C A 0004 VAL CG2
C A 0002 GLU CA 3.124 C A 0003 PRO CD
C A 0002 GLU C 2.517 C A 0003 PRO CA
C A 0002 GLU C 3.387 C A 0003 PRO C
C A 0002 GLU C 3.620 C A 0003 PRO CB
C A 0002 GLU C 3.679 C A 0003 PRO CG
C A 0002 GLU C 2.503 C A 0003 PRO CD
C A 0002 GLU CB 3.298 C A 0003 PRO CD
C A 0002 GLU CD 3.483 C A 0053 ARG CD
C A 0003 PRO C 2.496 C A 0004 VAL CA
C A 0003 PRO C 3.361 C A 0004 VAL C
C A 0003 PRO C 3.702 C A 0004 VAL CB
C A 0003 PRO CG 3.731 E A 0044 GLY C
C A 0004 VAL C 2.496 C A 0005 ASP CA
C A 0004 VAL C 3.263 C A 0005 ASP C
C A 0004 VAL C 3.729 C A 0005 ASP CB
C A 0005 ASP CA 3.035 C A 0006 PRO CD
C A 0005 ASP C 2.518 C A 0006 PRO CA
C A 0005 ASP C 3.392 C A 0006 PRO C
C A 0005 ASP C 3.621 C A 0006 PRO CB
C A 0005 ASP C 3.693 C A 0006 PRO CG
C A 0005 ASP C 2.511 C A 0006 PRO CD
C A 0005 ASP C 3.758 C A 0058 PRO CG
C A 0005 ASP CB 3.755 C A 0058 PRO CG
C A 0006 PRO C 2.502 C A 0007 ARG CA
C A 0006 PRO C 3.757 C A 0007 ARG C
C A 0006 PRO C 3.283 C A 0007 ARG CB
C A 0006 PRO C 3.795 C A 0011 TRP CZ3
C A 0006 PRO C 3.700 C A 0058 PRO CG
C A 0006 PRO CD 3.787 C A 0058 PRO CG
C A 0007 ARG C 2.489 C A 0008 LEU CA
C A 0007 ARG C 3.423 C A 0008 LEU C
C A 0007 ARG C 3.692 C A 0008 LEU CB
C A 0008 LEU C 2.487 C A 0009 GLU CA
C A 0008 LEU C 3.211 C A 0009 GLU C
C A 0008 LEU C 3.761 C A 0009 GLU CB
C A 0008 LEU CD1 3.627 C A 0013 HIS CB
C A 0008 LEU CD2 3.723 C A 0054 GLN CB
C A 0008 LEU CD2 3.749 C A 0054 GLN CG
C A 0009 GLU CA 3.172 C A 0010 PRO CD
C A 0009 GLU C 2.513 C A 0010 PRO CA
C A 0009 GLU C 3.255 C A 0010 PRO C
C A 0009 GLU C 3.650 C A 0010 PRO CB
C A 0009 GLU C 3.700 C A 0010 PRO CG
C A 0009 GLU C 2.521 C A 0010 PRO CD
C A 0009 GLU CB 3.778 C A 0010 PRO CD
C A 0009 GLU CG 3.596 C A 0010 PRO CD
C A 0010 PRO C 2.478 C A 0011 TRP CA
C A 0010 PRO C 3.405 C A 0011 TRP C
C A 0010 PRO C 3.645 C A 0011 TRP CB
C A 0011 TRP C 2.489 C A 0012 LYS CA
C A 0011 TRP C 3.761 C A 0012 LYS C
C A 0011 TRP C 3.246 C A 0012 LYS CB
C A 0011 TRP CH2 3.705 C A 0013 HIS C
C A 0011 TRP CZ2 3.715 C A 0067 VAL C
C A 0012 LYS C 2.502 C A 0013 HIS CA
C A 0012 LYS C 3.657 C A 0013 HIS C
C A 0012 LYS C 3.395 C A 0013 HIS CB
C A 0012 LYS C 3.742 C A 0014 PRO CD
C A 0012 LYS CE 3.685 C A 0038 PHE CD1
C A 0013 HIS CA 3.068 C A 0014 PRO CD
C A 0013 HIS C 2.511 C A 0014 PRO CA
C A 0013 HIS C 3.252 C A 0014 PRO C
C A 0013 HIS C 3.673 C A 0014 PRO CB
C A 0013 HIS C 3.664 C A 0014 PRO CG
C A 0013 HIS C 2.505 C A 0014 PRO CD
C A 0013 HIS CD2 3.602 C A 0015 GLY CA
C A 0014 PRO C 2.491 C A 0015 GLY CA
C A 0014 PRO C 3.393 C A 0015 GLY C
C A 0015 GLY C 2.497 C A 0016 SER CA
C A 0015 GLY C 3.761 C A 0016 SER C
C A 0015 GLY C 3.182 C A 0016 SER CB
C A 0016 SER C 2.498 C A 0017 GLN CA
C A 0016 SER C 3.663 C A 0017 GLN C
C A 0016 SER C 3.334 C A 0017 GLN CB
C A 0017 GLN CA 3.140 C A 0018 PRO CD
C A 0017 GLN C 2.504 C A 0018 PRO CA
C A 0017 GLN C 3.235 C A 0018 PRO C
C A 0017 GLN C 3.635 C A 0018 PRO CB
C A 0017 GLN C 3.689 C A 0018 PRO CG
C A 0017 GLN C 2.519 C A 0018 PRO CD
C A 0017 GLN CB 3.375 C A 0018 PRO CD
C A 0018 PRO C 2.486 C A 0019 LYS CA
C A 0018 PRO C 3.326 C A 0019 LYS C
C A 0018 PRO C 3.667 C A 0019 LYS CB
C A 0018 PRO CB 3.726 C A 0031 CYS CB
C A 0018 PRO CG 3.598 C A 0080 ASP CG
C A 0019 LYS C 2.502 C A 0020 THR CA
C A 0019 LYS C 3.735 C A 0020 THR C
C A 0019 LYS C 3.275 C A 0020 THR CB
C A 0020 THR C 2.497 C A 0021 ALA CA
C A 0020 THR C 3.316 C A 0021 ALA C
C A 0020 THR C 3.664 C A 0021 ALA CB
C A 0020 THR CG2 3.668 C A 0025 CYS CB
C A 0021 ALA C 2.502 C A 0022 CYS CA
C A 0021 ALA C 3.177 C A 0022 CYS C
C A 0021 ALA C 3.230 C A 0022 CYS CB
C A 0022 CYS C 2.502 C A 0023 THR CA
C A 0022 CYS C 3.758 C A 0023 THR C
C A 0022 CYS C 3.228 C A 0023 THR CB
C A 0023 THR C 2.541 C A 0024 THR CA
C A 0023 THR C 3.362 C A 0024 THR C
C A 0023 THR C 3.198 C A 0024 THR CB
C A 0023 THR CG2 3.694 C A 0039 THR CG2
C A 0023 THR CG2 3.701 C A 0080 ASP CG
C A 0024 THR C 2.506 C A 0025 CYS CA
C A 0024 THR C 3.206 C A 0025 CYS CB
C A 0025 CYS C 2.530 C A 0026 TYR CA
C A 0025 CYS C 3.424 C A 0026 TYR C
C A 0025 CYS C 3.163 C A 0026 TYR CB
C A 0025 CYS C 3.734 C A 0026 TYR CG
C A 0026 TYR C 2.521 C A 0027 CYS CA
C A 0026 TYR C 3.309 C A 0027 CYS C
C A 0026 TYR C 3.150 C A 0027 CYS CB
C A 0027 CYS C 2.500 C A 0028 LYS CA
C A 0027 CYS C 3.357 C A 0028 LYS C
C A 0027 CYS C 3.711 C A 0028 LYS CB
C A 0027 CYS CA 3.769 C A 0032 PHE C
C A 0027 CYS CA 3.690 C A 0033 HIS C
C A 0028 LYS C 2.505 C A 0029 LYS CA
C A 0028 LYS C 3.539 C A 0029 LYS C
C A 0028 LYS C 3.612 C A 0029 LYS CB
C A 0029 LYS C 2.494 C A 0030 CYS CA
C A 0029 LYS C 3.478 C A 0030 CYS C
C A 0029 LYS C 3.549 C A 0030 CYS CB
C A 0030 CYS C 2.521 C A 0031 CYS CA
C A 0030 CYS C 3.285 C A 0031 CYS C
C A 0030 CYS C 3.188 C A 0031 CYS CB
C A 0031 CYS C 2.520 C A 0032 PHE CA
C A 0031 CYS C 3.404 C A 0032 PHE C
C A 0031 CYS C 3.154 C A 0032 PHE CB
C A 0031 CYS C 3.622 C A 0032 PHE CG
C A 0031 CYS C 3.694 C A 0032 PHE CD2
C A 0032 PHE C 2.506 C A 0033 HIS CA
C A 0032 PHE C 3.576 C A 0033 HIS C
C A 0032 PHE C 3.548 C A 0033 HIS CB
C A 0032 PHE C 3.704 C A 0033 HIS CD2
C A 0033 HIS C 2.498 C A 0034 CYS CA
C A 0033 HIS C 3.232 C A 0034 CYS C
C A 0033 HIS C 3.719 C A 0034 CYS CB
C A 0033 HIS CB 3.530 C A 0036 VAL CG1
C A 0033 HIS CD2 3.682 C A 0081 PRO CG
C A 0034 CYS C 2.497 C A 0035 GLN CA
C A 0034 CYS C 3.699 C A 0035 GLN C
C A 0034 CYS C 3.362 C A 0035 GLN CB
C A 0034 CYS C 3.551 C A 0035 GLN CG
C A 0035 GLN C 2.498 C A 0036 VAL CA
C A 0035 GLN C 3.558 C A 0036 VAL C
C A 0035 GLN C 3.510 C A 0036 VAL CB
C A 0036 VAL C 2.486 C A 0037 CYS CA
C A 0036 VAL C 3.423 C A 0037 CYS C
C A 0036 VAL C 3.610 C A 0037 CYS CB
C A 0036 VAL CG2 3.693 C A 0038 PHE CE2
C A 0037 CYS C 2.535 C A 0038 PHE CA
C A 0037 CYS C 3.315 C A 0038 PHE C
C A 0037 CYS C 3.247 C A 0038 PHE CB
C A 0038 PHE C 2.509 C A 0039 THR CA
C A 0038 PHE C 3.142 C A 0039 THR C
C A 0038 PHE C 3.786 C A 0039 THR CB
C A 0038 PHE CD2 3.595 C A 0078 ARG C
C A 0039 THR C 2.520 C A 0040 THR CA
C A 0039 THR C 3.214 C A 0040 THR C
C A 0039 THR C 3.784 C A 0040 THR CB
C A 0040 THR C 2.497 C A 0041 LYS CA
C A 0040 THR C 3.410 C A 0041 LYS C
C A 0040 THR C 3.645 C A 0041 LYS CB
C A 0040 THR CA 3.704 E A 0047 TYR CG
C A 0040 THR CA 3.799 E A 0047 TYR CD2
C A 0041 LYS C 2.494 C A 0042 ALA CA
C A 0041 LYS C 3.439 C A 0042 ALA C
C A 0041 LYS C 3.617 C A 0042 ALA CB
C A 0042 ALA C 2.500 E A 0043 LEU CA
C A 0042 ALA C 3.712 E A 0043 LEU C
C A 0042 ALA C 3.364 E A 0043 LEU CB
C A 0042 ALA C 3.584 E A 0043 LEU CG
E A 0043 LEU C 2.484 E A 0044 GLY CA
E A 0043 LEU CD2 3.634 C A 0049 ARG CD
E A 0044 GLY C 2.555 C A 0045 ILE CA
E A 0044 GLY C 3.108 C A 0045 ILE C
E A 0044 GLY C 3.790 C A 0045 ILE CB
E A 0044 GLY C 3.629 E A 0047 TYR CD2
C A 0045 ILE C 2.486 C A 0046 SER CA
C A 0045 ILE C 3.648 C A 0046 SER C
C A 0045 ILE C 3.391 C A 0046 SER CB
C A 0046 SER C 2.490 E A 0047 TYR CA
C A 0046 SER C 3.680 E A 0047 TYR C
C A 0046 SER C 3.413 E A 0047 TYR CB
C A 0046 SER C 3.554 E A 0047 TYR CG
C A 0046 SER C 3.565 E A 0047 TYR CD1
E A 0047 TYR C 2.499 E A 0048 GLY CA
E A 0047 TYR C 3.264 E A 0048 GLY C
E A 0048 GLY C 2.491 C A 0049 ARG CA
E A 0048 GLY C 3.298 C A 0049 ARG C
E A 0048 GLY C 3.741 C A 0049 ARG CB
C A 0049 ARG C 2.536 C A 0050 LYS CA
C A 0049 ARG C 3.362 C A 0050 LYS C
C A 0049 ARG C 3.308 C A 0050 LYS CB
C A 0049 ARG C 3.582 C A 0050 LYS CG
C A 0050 LYS C 2.493 C A 0051 LYS CA
C A 0050 LYS C 3.619 C A 0051 LYS C
C A 0050 LYS C 3.470 C A 0051 LYS CB
C A 0050 LYS C 3.631 C A 0051 LYS CG
C A 0051 LYS C 2.497 C A 0052 ARG CA
C A 0051 LYS C 3.296 C A 0052 ARG C
C A 0051 LYS C 3.662 C A 0052 ARG CB
C A 0052 ARG C 2.495 C A 0053 ARG CA
C A 0052 ARG C 3.363 C A 0053 ARG C
C A 0052 ARG C 3.661 C A 0053 ARG CB
C A 0053 ARG C 2.499 C A 0054 GLN CA
C A 0053 ARG C 3.791 C A 0054 GLN C
C A 0053 ARG C 3.141 C A 0054 GLN CB
C A 0054 GLN C 2.505 C A 0055 ARG CA
C A 0054 GLN C 3.699 C A 0055 ARG C
C A 0054 GLN C 3.388 C A 0055 ARG CB
C A 0054 GLN C 3.541 C A 0055 ARG CG
C A 0055 ARG C 2.526 C A 0056 ARG CA
C A 0055 ARG C 3.316 C A 0056 ARG C
C A 0055 ARG C 3.136 C A 0056 ARG CB
C A 0056 ARG C 2.525 C A 0057 ARG CA
C A 0056 ARG C 3.286 C A 0057 ARG C
C A 0056 ARG C 3.233 C A 0057 ARG CB
C A 0056 ARG C 3.529 C A 0058 PRO CD
C A 0057 ARG CA 3.088 C A 0058 PRO CD
C A 0057 ARG C 2.519 C A 0058 PRO CA
C A 0057 ARG C 3.352 C A 0058 PRO C
C A 0057 ARG C 3.698 C A 0058 PRO CB
C A 0057 ARG C 3.685 C A 0058 PRO CG
C A 0057 ARG C 2.488 C A 0058 PRO CD
C A 0058 PRO CA 3.135 C A 0059 PRO CD
C A 0058 PRO C 2.516 C A 0059 PRO CA
C A 0058 PRO C 3.328 C A 0059 PRO C
C A 0058 PRO C 3.634 C A 0059 PRO CB
C A 0058 PRO C 3.696 C A 0059 PRO CG
C A 0058 PRO C 2.512 C A 0059 PRO CD
C A 0058 PRO CB 3.586 C A 0059 PRO CD
C A 0058 PRO CG 3.588 C A 0059 PRO CD
C A 0058 PRO CD 3.767 C A 0059 PRO CD
C A 0058 PRO C 3.619 C A 0064 THR CG2
C A 0059 PRO C 2.491 C A 0060 GLN CA
C A 0059 PRO C 3.395 C A 0060 GLN C
C A 0059 PRO C 3.591 C A 0060 GLN CB
C A 0059 PRO CA 3.713 C A 0064 THR CG2
C A 0060 GLN C 2.487 C A 0061 GLY CA
C A 0060 GLN C 3.690 C A 0061 GLY C
C A 0061 GLY C 2.487 C A 0062 SER CA
C A 0061 GLY C 3.743 C A 0062 SER C
C A 0061 GLY C 3.243 C A 0062 SER CB
C A 0062 SER C 2.507 C A 0063 GLN CA
C A 0062 SER C 3.743 C A 0063 GLN C
C A 0062 SER C 3.377 C A 0063 GLN CB
C A 0062 SER C 3.454 C A 0063 GLN CG
C A 0063 GLN C 2.508 C A 0064 THR CA
C A 0063 GLN C 3.505 C A 0064 THR C
C A 0063 GLN C 3.683 C A 0064 THR CB
C A 0064 THR C 2.525 C A 0065 HIS CA
C A 0064 THR C 3.141 C A 0065 HIS C
C A 0064 THR C 3.318 C A 0065 HIS CB
C A 0065 HIS C 2.495 C A 0066 GLN CA
C A 0065 HIS C 3.632 C A 0066 GLN C
C A 0065 HIS C 3.373 C A 0066 GLN CB
C A 0065 HIS CA 3.685 C A 0080 ASP CB
C A 0065 HIS C 3.687 C A 0080 ASP CB
C A 0066 GLN C 2.507 C A 0067 VAL CA
C A 0066 GLN C 3.605 C A 0067 VAL C
C A 0066 GLN C 3.514 C A 0067 VAL CB
C A 0066 GLN C 3.605 C A 0067 VAL CG2
C A 0067 VAL C 2.521 C A 0068 SER CA
C A 0067 VAL C 3.191 C A 0068 SER C
C A 0067 VAL C 3.188 C A 0068 SER CB
C A 0067 VAL CG2 3.673 C A 0083 GLY C
C A 0067 VAL CG2 3.722 C A 0084 PRO CG
C A 0067 VAL CG2 3.695 C A 0084 PRO CD
C A 0068 SER C 2.504 C A 0069 LEU CA
C A 0068 SER C 3.197 C A 0069 LEU C
C A 0068 SER C 3.780 C A 0069 LEU CB
C A 0069 LEU C 2.499 C A 0070 SER CA
C A 0069 LEU C 3.777 C A 0070 SER C
C A 0069 LEU C 3.136 C A 0070 SER CB
C A 0070 SER C 2.496 C A 0071 LYS CA
C A 0070 SER C 3.402 C A 0071 LYS C
C A 0070 SER C 3.603 C A 0071 LYS CB
C A 0071 LYS C 2.495 C A 0072 GLN CA
C A 0071 LYS C 3.188 C A 0072 GLN C
C A 0071 LYS C 3.776 C A 0072 GLN CB
C A 0072 GLN CA 3.128 C A 0073 PRO CD
C A 0072 GLN C 2.509 C A 0073 PRO CA
C A 0072 GLN C 3.245 C A 0073 PRO C
C A 0072 GLN C 3.671 C A 0073 PRO CB
C A 0072 GLN C 3.568 C A 0073 PRO CG
C A 0072 GLN C 2.511 C A 0073 PRO CD
C A 0072 GLN CB 3.580 C A 0073 PRO CD
C A 0072 GLN C 3.591 C A 0084 PRO CG
C A 0073 PRO C 2.496 C A 0074 THR CA
C A 0073 PRO C 3.312 C A 0074 THR C
C A 0073 PRO C 3.731 C A 0074 THR CB
C A 0074 THR C 2.524 C A 0075 SER CA
C A 0074 THR C 3.259 C A 0075 SER C
C A 0074 THR C 3.228 C A 0075 SER CB
C A 0075 SER C 2.502 C A 0076 GLN CA
C A 0075 SER C 3.671 C A 0076 GLN C
C A 0075 SER C 3.442 C A 0076 GLN CB
C A 0075 SER C 3.584 C A 0076 GLN CG
C A 0076 GLN CA 3.059 C A 0077 PRO CD
C A 0076 GLN C 2.502 C A 0077 PRO CA
C A 0076 GLN C 3.300 C A 0077 PRO C
C A 0076 GLN C 3.630 C A 0077 PRO CB
C A 0076 GLN C 3.692 C A 0077 PRO CG
C A 0076 GLN C 2.512 C A 0077 PRO CD
C A 0077 PRO C 2.500 C A 0078 ARG CA
C A 0077 PRO C 3.348 C A 0078 ARG C
C A 0077 PRO C 3.688 C A 0078 ARG CB
C A 0078 ARG C 2.477 C A 0079 GLY CA
C A 0078 ARG C 3.374 C A 0079 GLY C
C A 0079 GLY C 2.503 C A 0080 ASP CA
C A 0079 GLY C 3.224 C A 0080 ASP C
C A 0079 GLY C 3.176 C A 0080 ASP CB
C A 0080 ASP CA 3.024 C A 0081 PRO CD
C A 0080 ASP C 2.511 C A 0081 PRO CA
C A 0080 ASP C 3.367 C A 0081 PRO C
C A 0080 ASP C 3.610 C A 0081 PRO CB
C A 0080 ASP C 3.682 C A 0081 PRO CG
C A 0080 ASP C 2.508 C A 0081 PRO CD
C A 0081 PRO C 2.502 C A 0082 THR CA
C A 0081 PRO C 3.720 C A 0082 THR C
C A 0081 PRO C 3.264 C A 0082 THR CB
C A 0082 THR C 2.500 C A 0083 GLY CA
C A 0082 THR C 3.667 C A 0083 GLY C
C A 0083 GLY CA 3.033 C A 0084 PRO CD
C A 0083 GLY C 2.504 C A 0084 PRO CA
C A 0083 GLY C 3.286 C A 0084 PRO C
C A 0083 GLY C 3.685 C A 0084 PRO CB
C A 0083 GLY C 3.607 C A 0084 PRO CG
C A 0083 GLY C 2.507 C A 0084 PRO CD
C A 0084 PRO CA 3.717 C A 0085 LYS CA
C A 0084 PRO C 2.461 C A 0085 LYS CA
C A 0084 PRO C 3.672 C A 0085 LYS C
C A 0084 PRO C 3.319 C A 0085 LYS CB
C A 0085 LYS C 2.509 C A 0086 GLU CA
C A 0085 LYS C 3.735 C A 0086 GLU C
C A 0085 LYS C 3.307 C A 0086 GLU CB
CHARGE_ATTR 2.00 12.00 79
C A 0002 GLU OE2 10.38 C A 0013 HIS ND1
C A 0002 GLU OE2 11.06 C A 0013 HIS NE2
C A 0002 GLU OE1 11.18 C A 0050 LYS NZ
C A 0002 GLU OE2 10.94 C A 0050 LYS NZ
C A 0002 GLU OE1 3.410 C A 0051 LYS NZ
C A 0002 GLU OE2 4.355 C A 0051 LYS NZ
C A 0002 GLU OE1 10.12 C A 0052 ARG NH1
C A 0002 GLU OE1 8.892 C A 0052 ARG NH2
C A 0002 GLU OE2 8.035 C A 0052 ARG NH1
C A 0002 GLU OE2 6.966 C A 0052 ARG NH2
C A 0002 GLU OE1 3.327 C A 0053 ARG NH1
C A 0002 GLU OE1 5.450 C A 0053 ARG NH2
C A 0002 GLU OE2 4.934 C A 0053 ARG NH1
C A 0002 GLU OE2 6.714 C A 0053 ARG NH2
C A 0002 GLU OE1 9.723 C A 0055 ARG NH1
C A 0002 GLU OE1 11.58 C A 0055 ARG NH2
C A 0002 GLU OE2 10.11 C A 0055 ARG NH1
C A 0002 GLU OE2 11.68 C A 0055 ARG NH2
C A 0005 ASP OD1 8.923 C A 0007 ARG NH1
C A 0005 ASP OD1 10.73 C A 0007 ARG NH2
C A 0005 ASP OD2 10.92 C A 0007 ARG NH1
C A 0005 ASP OD1 8.971 C A 0013 HIS ND1
C A 0005 ASP OD1 8.464 C A 0013 HIS NE2
C A 0005 ASP OD2 8.777 C A 0013 HIS ND1
C A 0005 ASP OD2 7.862 C A 0013 HIS NE2
C A 0005 ASP OD1 11.23 C A 0019 LYS NZ
C A 0005 ASP OD2 9.542 C A 0019 LYS NZ
C A 0005 ASP OD1 6.967 C A 0055 ARG NH1
C A 0005 ASP OD1 5.035 C A 0055 ARG NH2
C A 0005 ASP OD2 5.087 C A 0055 ARG NH1
C A 0005 ASP OD2 3.021 C A 0055 ARG NH2
C A 0005 ASP OD1 11.69 C A 0056 ARG NH1
C A 0005 ASP OD1 5.561 C A 0057 ARG NH1
C A 0005 ASP OD1 7.622 C A 0057 ARG NH2
C A 0005 ASP OD2 7.299 C A 0057 ARG NH1
C A 0005 ASP OD2 9.141 C A 0057 ARG NH2
C A 0009 GLU OE1 10.41 C A 0007 ARG NH1
C A 0009 GLU OE1 10.34 C A 0007 ARG NH2
C A 0009 GLU OE2 9.203 C A 0007 ARG NH1
C A 0009 GLU OE2 8.960 C A 0007 ARG NH2
C A 0009 GLU OE1 8.845 C A 0013 HIS ND1
C A 0009 GLU OE1 11.10 C A 0013 HIS NE2
C A 0009 GLU OE2 10.49 C A 0013 HIS ND1
C A 0009 GLU OE1 11.84 C A 0049 ARG NH2
C A 0009 GLU OE1 3.052 C A 0052 ARG NH1
C A 0009 GLU OE1 4.288 C A 0052 ARG NH2
C A 0009 GLU OE2 5.203 C A 0052 ARG NH1
C A 0009 GLU OE2 5.906 C A 0052 ARG NH2
C A 0009 GLU OE1 7.811 C A 0056 ARG NH1
C A 0009 GLU OE1 8.859 C A 0056 ARG NH2
C A 0009 GLU OE2 6.040 C A 0056 ARG NH1
C A 0009 GLU OE2 6.806 C A 0056 ARG NH2
C A 0080 ASP OD1 10.10 C A 0013 HIS ND1
C A 0080 ASP OD1 8.843 C A 0013 HIS NE2
C A 0080 ASP OD2 11.80 C A 0013 HIS ND1
C A 0080 ASP OD2 10.41 C A 0013 HIS NE2
C A 0080 ASP OD1 11.42 C A 0019 LYS NZ
C A 0080 ASP OD2 11.84 C A 0019 LYS NZ
C A 0080 ASP OD1 11.75 C A 0033 HIS ND1
C A 0080 ASP OD2 9.932 C A 0033 HIS ND1
C A 0080 ASP OD2 10.61 C A 0033 HIS NE2
C A 0080 ASP OD1 4.748 C A 0065 HIS ND1
C A 0080 ASP OD1 6.757 C A 0065 HIS NE2
C A 0080 ASP OD2 5.008 C A 0065 HIS ND1
C A 0080 ASP OD2 7.203 C A 0065 HIS NE2
C A 0086 GLU OE1 10.70 C A 0007 ARG NH1
C A 0086 GLU OE1 11.06 C A 0007 ARG NH2
C A 0086 GLU OE2 10.54 C A 0007 ARG NH1
C A 0086 GLU OE2 10.49 C A 0007 ARG NH2
C A 0086 GLU OE1 8.095 C A 0057 ARG NH1
C A 0086 GLU OE1 8.771 C A 0057 ARG NH2
C A 0086 GLU OE2 9.678 C A 0057 ARG NH1
C A 0086 GLU OE2 10.62 C A 0057 ARG NH2
C A 0086 GLU OE1 10.52 C A 0065 HIS ND1
C A 0086 GLU OE1 9.137 C A 0065 HIS NE2
C A 0086 GLU OE2 9.851 C A 0065 HIS ND1
C A 0086 GLU OE2 8.705 C A 0065 HIS NE2
C A 0086 GLU OE1 8.206 C A 0085 LYS NZ
C A 0086 GLU OE2 8.198 C A 0085 LYS NZ
CHARGE_REPU 2.00 12.00 60
C A 0002 GLU OE2 10.55 C A 0009 GLU OE1
C A 0005 ASP OD1 11.88 C A 0080 ASP OD1
C A 0005 ASP OD1 10.57 C A 0086 GLU OE1
C A 0005 ASP OD1 11.36 C A 0086 GLU OE2
C A 0007 ARG NH1 4.005 C A 0056 ARG NH1
C A 0007 ARG NH1 5.304 C A 0056 ARG NH2
C A 0007 ARG NH2 3.458 C A 0056 ARG NH1
C A 0007 ARG NH2 4.942 C A 0056 ARG NH2
C A 0007 ARG NH1 8.554 C A 0057 ARG NH1
C A 0007 ARG NH1 9.939 C A 0057 ARG NH2
C A 0007 ARG NH2 10.37 C A 0057 ARG NH1
C A 0007 ARG NH2 11.70 C A 0057 ARG NH2
C A 0012 LYS NZ 9.101 C A 0041 LYS NZ
C A 0012 LYS NZ 8.827 C A 0049 ARG NH1
C A 0012 LYS NZ 9.706 C A 0049 ARG NH2
C A 0012 LYS NZ 6.750 C A 0078 ARG NH1
C A 0012 LYS NZ 7.508 C A 0078 ARG NH2
C A 0013 HIS NE2 10.91 C A 0019 LYS NZ
C A 0013 HIS ND1 10.21 C A 0049 ARG NH1
C A 0013 HIS ND1 11.15 C A 0049 ARG NH2
C A 0013 HIS NE2 11.28 C A 0049 ARG NH1
C A 0013 HIS ND1 7.886 C A 0052 ARG NH1
C A 0013 HIS ND1 9.550 C A 0052 ARG NH2
C A 0013 HIS NE2 10.01 C A 0052 ARG NH1
C A 0013 HIS NE2 11.48 C A 0052 ARG NH2
C A 0013 HIS ND1 10.46 C A 0055 ARG NH1
C A 0013 HIS ND1 9.963 C A 0055 ARG NH2
C A 0013 HIS NE2 9.653 C A 0055 ARG NH1
C A 0013 HIS NE2 8.995 C A 0055 ARG NH2
C A 0019 LYS NZ 10.61 C A 0055 ARG NH1
C A 0019 LYS NZ 9.564 C A 0055 ARG NH2
C A 0028 LYS NZ 7.691 C A 0029 LYS NZ
C A 0033 HIS ND1 11.36 C A 0065 HIS ND1
C A 0033 HIS NE2 10.95 C A 0065 HIS ND1
C A 0041 LYS NZ 10.19 C A 0049 ARG NH1
C A 0041 LYS NZ 11.77 C A 0049 ARG NH2
C A 0049 ARG NH1 10.62 C A 0052 ARG NH1
C A 0049 ARG NH1 11.95 C A 0052 ARG NH2
C A 0049 ARG NH2 10.04 C A 0052 ARG NH1
C A 0049 ARG NH2 11.30 C A 0052 ARG NH2
C A 0050 LYS NZ 8.513 C A 0051 LYS NZ
C A 0051 LYS NZ 11.96 C A 0052 ARG NH1
C A 0051 LYS NZ 10.66 C A 0052 ARG NH2
C A 0051 LYS NZ 5.949 C A 0053 ARG NH1
C A 0051 LYS NZ 7.928 C A 0053 ARG NH2
C A 0052 ARG NH1 11.23 C A 0053 ARG NH1
C A 0052 ARG NH1 11.75 C A 0053 ARG NH2
C A 0052 ARG NH2 9.749 C A 0053 ARG NH1
C A 0052 ARG NH2 10.14 C A 0053 ARG NH2
C A 0052 ARG NH1 10.54 C A 0056 ARG NH1
C A 0052 ARG NH1 11.58 C A 0056 ARG NH2
C A 0052 ARG NH2 11.33 C A 0056 ARG NH1
C A 0053 ARG NH1 9.501 C A 0055 ARG NH1
C A 0053 ARG NH1 11.46 C A 0055 ARG NH2
C A 0053 ARG NH2 10.25 C A 0055 ARG NH1
C A 0055 ARG NH1 11.22 C A 0057 ARG NH1
C A 0055 ARG NH2 9.356 C A 0057 ARG NH1
C A 0055 ARG NH2 10.88 C A 0057 ARG NH2
C A 0065 HIS NE2 11.90 C A 0085 LYS NZ
C A 0080 ASP OD1 11.74 C A 0086 GLU OE2
HB_MM 2.00 3.20 113
C A 0002 GLU N 2.245 C A 0001 MET O
C A 0003 PRO N 2.235 C A 0002 GLU O
C A 0004 VAL N 3.053 C A 0002 GLU O
C A 0004 VAL N 2.236 C A 0003 PRO O
C A 0005 ASP N 2.253 C A 0004 VAL O
C A 0006 PRO N 2.253 C A 0005 ASP O
C A 0007 ARG N 3.082 C A 0005 ASP O
C A 0007 ARG N 2.247 C A 0006 PRO O
C A 0008 LEU N 2.239 C A 0007 ARG O
C A 0009 GLU N 2.247 C A 0008 LEU O
C A 0010 PRO N 2.237 C A 0009 GLU O
C A 0011 TRP N 2.244 C A 0010 PRO O
C A 0012 LYS N 2.250 C A 0011 TRP O
C A 0013 HIS N 2.244 C A 0012 LYS O
C A 0014 PRO N 2.236 C A 0013 HIS O
C A 0015 GLY N 2.240 C A 0014 PRO O
C A 0016 SER N 2.253 C A 0015 GLY O
C A 0017 GLN N 2.250 C A 0016 SER O
C A 0018 PRO N 2.239 C A 0017 GLN O
C A 0019 LYS N 3.097 C A 0017 GLN O
C A 0019 LYS N 2.242 C A 0018 PRO O
C A 0020 THR N 2.243 C A 0019 LYS O
C A 0021 ALA N 2.243 C A 0020 THR O
C A 0022 CYS N 3.113 C A 0020 THR O
C A 0022 CYS N 2.252 C A 0021 ALA O
C A 0023 THR N 2.995 C A 0021 ALA O
C A 0023 THR N 2.246 C A 0022 CYS O
C A 0024 THR N 2.923 C A 0018 PRO O
C A 0024 THR N 2.252 C A 0023 THR O
C A 0025 CYS N 2.256 C A 0024 THR O
C A 0025 CYS N 3.079 C A 0030 CYS O
C A 0026 TYR N 2.241 C A 0025 CYS O
C A 0026 TYR N 2.891 C A 0034 CYS O
C A 0027 CYS N 2.248 C A 0026 TYR O
C A 0027 CYS N 3.125 C A 0033 HIS O
C A 0028 LYS N 3.037 C A 0026 TYR O
C A 0028 LYS N 2.247 C A 0027 CYS O
C A 0029 LYS N 2.251 C A 0028 LYS O
C A 0030 CYS N 3.107 C A 0025 CYS O
C A 0030 CYS N 2.245 C A 0029 LYS O
C A 0031 CYS N 2.257 C A 0030 CYS O
C A 0032 PHE N 2.242 C A 0031 CYS O
C A 0033 HIS N 2.946 C A 0031 CYS O
C A 0033 HIS N 2.239 C A 0032 PHE O
C A 0034 CYS N 2.251 C A 0033 HIS O
C A 0035 GLN N 2.246 C A 0034 CYS O
C A 0036 VAL N 2.246 C A 0035 GLN O
C A 0037 CYS N 2.251 C A 0036 VAL O
C A 0038 PHE N 2.257 C A 0037 CYS O
C A 0039 THR N 2.877 C A 0037 CYS O
C A 0039 THR N 2.249 C A 0038 PHE O
C A 0040 THR N 2.258 C A 0039 THR O
C A 0041 LYS N 2.249 C A 0040 THR O
C A 0042 ALA N 3.063 C A 0038 PHE O
C A 0042 ALA N 2.249 C A 0041 LYS O
E A 0043 LEU N 2.252 C A 0042 ALA O
E A 0044 GLY N 2.247 E A 0043 LEU O
C A 0045 ILE N 3.060 C A 0003 PRO O
C A 0045 ILE N 2.277 E A 0044 GLY O
C A 0046 SER N 3.161 E A 0044 GLY O
C A 0046 SER N 2.246 C A 0045 ILE O
E A 0047 TYR N 3.024 E A 0044 GLY O
E A 0047 TYR N 2.251 C A 0046 SER O
E A 0048 GLY N 2.259 E A 0047 TYR O
C A 0049 ARG N 2.985 E A 0047 TYR O
C A 0049 ARG N 2.255 E A 0048 GLY O
C A 0050 LYS N 2.255 C A 0049 ARG O
C A 0051 LYS N 2.890 C A 0049 ARG O
C A 0051 LYS N 2.245 C A 0050 LYS O
C A 0052 ARG N 2.250 C A 0051 LYS O
C A 0053 ARG N 2.244 C A 0052 ARG O
C A 0054 GLN N 3.099 C A 0052 ARG O
C A 0054 GLN N 2.252 C A 0053 ARG O
C A 0055 ARG N 2.256 C A 0054 GLN O
C A 0056 ARG N 2.249 C A 0055 ARG O
C A 0057 ARG N 2.228 C A 0056 ARG O
C A 0058 PRO N 2.233 C A 0057 ARG O
C A 0059 PRO N 2.239 C A 0058 PRO O
C A 0060 GLN N 2.948 C A 0058 PRO O
C A 0060 GLN N 2.244 C A 0059 PRO O
C A 0061 GLY N 2.256 C A 0060 GLN O
C A 0062 SER N 2.257 C A 0061 GLY O
C A 0063 GLN N 2.245 C A 0062 SER O
C A 0064 THR N 2.255 C A 0063 GLN O
C A 0065 HIS N 2.254 C A 0064 THR O
C A 0066 GLN N 2.999 C A 0064 THR O
C A 0066 GLN N 2.247 C A 0065 HIS O
C A 0067 VAL N 2.254 C A 0066 GLN O
C A 0068 SER N 2.256 C A 0067 VAL O
C A 0069 LEU N 2.250 C A 0068 SER O
C A 0070 SER N 3.008 C A 0068 SER O
C A 0070 SER N 2.248 C A 0069 LEU O
C A 0071 LYS N 2.245 C A 0070 SER O
C A 0072 GLN N 2.257 C A 0071 LYS O
C A 0073 PRO N 2.235 C A 0072 GLN O
C A 0074 THR N 3.060 C A 0072 GLN O
C A 0074 THR N 2.250 C A 0073 PRO O
C A 0075 SER N 2.920 C A 0073 PRO O
C A 0075 SER N 2.249 C A 0074 THR O
C A 0076 GLN N 3.080 C A 0074 THR O
C A 0076 GLN N 2.245 C A 0075 SER O
C A 0077 PRO N 2.244 C A 0076 GLN O
C A 0078 ARG N 3.077 C A 0076 GLN O
C A 0078 ARG N 2.249 C A 0077 PRO O
C A 0079 GLY N 2.256 C A 0078 ARG O
C A 0080 ASP N 2.251 C A 0079 GLY O
C A 0081 PRO N 2.252 C A 0080 ASP O
C A 0082 THR N 3.000 C A 0080 ASP O
C A 0082 THR N 2.242 C A 0081 PRO O
C A 0083 GLY N 2.252 C A 0082 THR O
C A 0084 PRO N 2.247 C A 0083 GLY O
C A 0085 LYS N 2.238 C A 0084 PRO O
C A 0086 GLU N 2.248 C A 0085 LYS O
HB_MS 2.00 3.20 22
C A 0007 ARG O 3.042 C A 0054 GLN NE2
C A 0015 GLY O 2.632 C A 0016 SER OG
C A 0019 LYS O 2.668 C A 0020 THR OG1
E A 0043 LEU O 2.629 C A 0039 THR OG1
C A 0056 ARG O 2.940 C A 0007 ARG NH1
C A 0059 PRO O 3.020 C A 0057 ARG NH1
C A 0062 SER N 3.069 C A 0086 GLU OE1
C A 0063 GLN N 2.986 C A 0086 GLU OE1
C A 0064 THR N 3.003 C A 0017 GLN OE1
C A 0065 HIS N 3.068 C A 0017 GLN OE1
C A 0065 HIS N 2.999 C A 0064 THR OG1
C A 0067 VAL O 2.690 C A 0074 THR OG1
C A 0068 SER O 2.791 C A 0070 SER OG
C A 0069 LEU O 2.994 C A 0007 ARG NH2
C A 0071 LYS N 2.996 C A 0070 SER OG
C A 0071 LYS O 3.137 C A 0074 THR OG1
C A 0074 THR O 2.650 C A 0075 SER OG
C A 0076 GLN N 3.026 C A 0075 SER OG
C A 0078 ARG N 3.095 C A 0066 GLN OE1
C A 0081 PRO O 2.675 C A 0082 THR OG1
C A 0085 LYS O 3.076 C A 0062 SER OG
C A 0086 GLU O 2.821 C A 0072 GLN NE2
HB_SS 2.00 3.20 5
C A 0065 HIS NE2 2.988 C A 0063 GLN OE1
C A 0078 ARG NH1 3.050 C A 0075 SER OG
C A 0080 ASP OD1 2.705 C A 0023 THR OG1
C A 0080 ASP OD2 2.642 C A 0023 THR OG1
C A 0080 ASP OD2 2.717 C A 0024 THR OG1
AROMATIC 0.00 8.00 1
C A 0012 LYS 4.358 C A 0038 PHE