Complet list of 1k5k con file
Complete list of 1k5k.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 355
C A 0001 MET C 2.502 C A 0002 ASP CA
C A 0001 MET C 3.210 C A 0002 ASP C
C A 0001 MET C 3.738 C A 0002 ASP CB
C A 0001 MET C 3.533 C A 0003 PRO CD
C A 0001 MET CE 3.643 C A 0011 TRP CE3
C A 0002 ASP CA 3.165 C A 0003 PRO CD
C A 0002 ASP C 2.520 C A 0003 PRO CA
C A 0002 ASP C 3.345 C A 0003 PRO C
C A 0002 ASP C 3.684 C A 0003 PRO CB
C A 0002 ASP C 3.701 C A 0003 PRO CG
C A 0002 ASP C 2.521 C A 0003 PRO CD
C A 0003 PRO C 2.514 C A 0004 VAL CA
C A 0003 PRO C 3.256 C A 0004 VAL C
C A 0003 PRO C 3.768 C A 0004 VAL CB
C A 0003 PRO CD 3.670 C A 0045 ILE CD1
C A 0004 VAL C 2.512 C A 0005 ASP CA
C A 0004 VAL C 3.782 C A 0005 ASP C
C A 0004 VAL C 3.298 C A 0005 ASP CB
C A 0005 ASP CA 3.200 C A 0006 PRO CA
C A 0005 ASP C 2.543 C A 0006 PRO CA
C A 0005 ASP C 3.602 C A 0006 PRO C
C A 0005 ASP C 3.495 C A 0006 PRO CB
C A 0005 ASP C 3.635 C A 0006 PRO CG
C A 0005 ASP C 2.478 C A 0006 PRO CD
C A 0005 ASP CA 3.798 C A 0055 ARG CZ
C A 0005 ASP C 3.702 C A 0057 ARG CB
C A 0006 PRO C 2.499 C A 0007 ASN CA
C A 0006 PRO C 3.231 C A 0007 ASN C
C A 0006 PRO C 3.765 C A 0007 ASN CB
C A 0006 PRO CD 3.774 C A 0055 ARG C
C A 0007 ASN C 2.502 C A 0008 LEU CA
C A 0007 ASN C 3.635 C A 0008 LEU C
C A 0007 ASN C 3.435 C A 0008 LEU CB
C A 0007 ASN C 3.622 C A 0008 LEU CG
C A 0008 LEU C 2.491 C A 0009 GLU CA
C A 0008 LEU C 3.417 C A 0009 GLU C
C A 0008 LEU C 3.603 C A 0009 GLU CB
C A 0009 GLU CA 3.066 C A 0010 PRO CD
C A 0009 GLU C 2.531 C A 0010 PRO CA
C A 0009 GLU C 3.188 C A 0010 PRO C
C A 0009 GLU C 3.684 C A 0010 PRO CB
C A 0009 GLU C 3.690 C A 0010 PRO CG
C A 0009 GLU C 2.516 C A 0010 PRO CD
C A 0009 GLU CG 3.614 C A 0010 PRO CD
C A 0009 GLU CD 3.486 C A 0012 ASN CB
C A 0010 PRO C 2.470 C A 0011 TRP CA
C A 0010 PRO C 3.707 C A 0011 TRP C
C A 0010 PRO C 3.327 C A 0011 TRP CB
C A 0011 TRP C 2.484 C A 0012 ASN CA
C A 0011 TRP C 3.747 C A 0012 ASN C
C A 0011 TRP C 3.209 C A 0012 ASN CB
C A 0011 TRP CZ2 3.796 C A 0038 PHE CE1
C A 0011 TRP CE2 3.428 C A 0047 TYR CE2
C A 0011 TRP CE2 3.582 C A 0047 TYR CZ
C A 0011 TRP CZ2 3.340 C A 0047 TYR CE1
C A 0011 TRP CZ2 3.513 C A 0047 TYR CE2
C A 0011 TRP CZ2 3.157 C A 0047 TYR CZ
C A 0011 TRP CZ3 3.585 C A 0047 TYR CG
C A 0011 TRP CZ3 3.670 C A 0047 TYR CD1
C A 0011 TRP CH2 3.695 C A 0047 TYR CG
C A 0011 TRP CH2 3.332 C A 0047 TYR CD1
C A 0011 TRP CH2 3.288 C A 0047 TYR CE1
C A 0011 TRP CH2 3.616 C A 0047 TYR CZ
C A 0012 ASN C 2.495 C A 0013 HIS CA
C A 0012 ASN C 3.466 C A 0013 HIS C
C A 0012 ASN C 3.653 C A 0013 HIS CB
C A 0013 HIS CA 3.066 C A 0014 PRO CD
C A 0013 HIS C 2.516 C A 0014 PRO CA
C A 0013 HIS C 3.329 C A 0014 PRO C
C A 0013 HIS C 3.687 C A 0014 PRO CB
C A 0013 HIS C 3.573 C A 0014 PRO CG
C A 0013 HIS C 2.508 C A 0014 PRO CD
C A 0013 HIS CD2 3.788 H A 0063 GLN C
C A 0014 PRO C 2.492 C A 0015 GLY CA
C A 0014 PRO C 3.760 C A 0015 GLY C
C A 0014 PRO CD 3.745 H A 0063 GLN CG
C A 0015 GLY C 2.501 C A 0016 SER CA
C A 0015 GLY C 3.182 C A 0016 SER CB
C A 0016 SER C 2.505 C A 0017 GLN CA
C A 0016 SER C 3.649 C A 0017 GLN C
C A 0016 SER C 3.454 C A 0017 GLN CB
C A 0016 SER C 3.739 C A 0017 GLN CG
C A 0017 GLN CA 3.110 C A 0018 PRO CA
C A 0017 GLN CA 3.619 C A 0018 PRO C
C A 0017 GLN C 2.546 C A 0018 PRO CA
C A 0017 GLN C 3.429 C A 0018 PRO C
C A 0017 GLN C 3.635 C A 0018 PRO CB
C A 0017 GLN C 3.694 C A 0018 PRO CG
C A 0017 GLN C 2.493 C A 0018 PRO CD
C A 0017 GLN CB 3.606 C A 0018 PRO CA
C A 0017 GLN C 3.774 C A 0030 CYS CB
C A 0018 PRO C 2.541 C A 0019 ARG CA
C A 0018 PRO C 3.151 C A 0019 ARG C
C A 0018 PRO C 3.464 C A 0019 ARG CB
C A 0019 ARG C 2.492 C A 0020 THR CA
C A 0019 ARG C 3.412 C A 0020 THR C
C A 0019 ARG C 3.671 C A 0020 THR CB
C A 0019 ARG CG 3.461 C A 0060 GLN C
C A 0020 THR CA 3.155 C A 0021 PRO CA
C A 0020 THR C 2.539 C A 0021 PRO CA
C A 0020 THR C 3.450 C A 0021 PRO C
C A 0020 THR C 3.642 C A 0021 PRO CB
C A 0020 THR C 3.670 C A 0021 PRO CG
C A 0020 THR C 2.469 C A 0021 PRO CD
C A 0020 THR CB 3.465 C A 0021 PRO CA
C A 0020 THR CB 3.514 C A 0021 PRO C
C A 0021 PRO C 2.498 C A 0022 CYS CA
C A 0021 PRO C 3.264 C A 0022 CYS C
C A 0021 PRO C 3.704 C A 0022 CYS CB
C A 0021 PRO CD 3.688 C A 0056 ARG CG
C A 0021 PRO CB 3.613 H A 0063 GLN C
C A 0022 CYS C 2.522 C A 0023 ASN CA
C A 0022 CYS C 3.225 C A 0023 ASN C
C A 0022 CYS C 3.171 C A 0023 ASN CB
C A 0023 ASN C 2.498 C A 0024 LYS CA
C A 0023 ASN C 3.406 C A 0024 LYS C
C A 0023 ASN C 3.657 C A 0024 LYS CB
C A 0024 LYS C 2.519 C A 0025 CYS CA
C A 0024 LYS C 3.200 C A 0025 CYS CB
C A 0025 CYS C 2.505 C A 0026 TYR CA
C A 0025 CYS C 3.174 C A 0026 TYR C
C A 0025 CYS C 3.783 C A 0026 TYR CB
C A 0026 TYR C 2.520 C A 0027 CYS CA
C A 0026 TYR C 3.242 C A 0027 CYS C
C A 0026 TYR C 3.186 C A 0027 CYS CB
C A 0027 CYS C 2.517 C A 0028 LYS CA
C A 0027 CYS C 3.238 C A 0028 LYS C
C A 0027 CYS C 3.155 C A 0028 LYS CB
C A 0028 LYS C 2.514 C A 0029 LYS CA
C A 0028 LYS C 3.242 C A 0029 LYS C
C A 0028 LYS C 3.723 C A 0029 LYS CB
C A 0029 LYS C 2.495 C A 0030 CYS CA
C A 0029 LYS C 3.703 C A 0030 CYS C
C A 0029 LYS C 3.353 C A 0030 CYS CB
C A 0030 CYS CA 3.193 C A 0031 CYS CA
C A 0030 CYS C 2.519 C A 0031 CYS CA
C A 0030 CYS C 3.390 C A 0031 CYS C
C A 0030 CYS C 3.625 C A 0031 CYS CB
C A 0030 CYS CB 3.494 C A 0031 CYS CA
C A 0031 CYS C 2.488 C A 0032 TYR CA
C A 0031 CYS C 3.251 C A 0032 TYR C
C A 0031 CYS C 3.770 C A 0032 TYR CB
C A 0032 TYR CA 3.653 C A 0033 HIS CA
C A 0032 TYR C 2.457 C A 0033 HIS CA
C A 0032 TYR C 3.696 C A 0033 HIS C
C A 0032 TYR C 3.324 C A 0033 HIS CB
C A 0032 TYR CD2 3.707 C A 0033 HIS CA
C A 0032 TYR CD2 3.591 H A 0065 HIS CG
C A 0033 HIS C 2.493 C A 0034 CYS CA
C A 0033 HIS C 3.289 C A 0034 CYS C
C A 0033 HIS C 3.666 C A 0034 CYS CB
C A 0033 HIS CE1 3.745 C A 0081 HIS CG
C A 0033 HIS CE1 3.714 C A 0081 HIS CD2
C A 0034 CYS C 2.528 C A 0035 GLN CA
C A 0034 CYS C 3.253 C A 0035 GLN C
C A 0034 CYS C 3.287 C A 0035 GLN CB
C A 0035 GLN C 2.522 C A 0036 MET CA
C A 0035 GLN C 3.188 C A 0036 MET C
C A 0035 GLN C 3.301 C A 0036 MET CB
C A 0036 MET C 2.488 C A 0037 CYS CA
C A 0036 MET C 3.258 C A 0037 CYS C
C A 0036 MET C 3.683 C A 0037 CYS CB
C A 0037 CYS C 2.504 C A 0038 PHE CA
C A 0037 CYS C 3.757 C A 0038 PHE C
C A 0037 CYS C 3.305 C A 0038 PHE CB
C A 0037 CYS C 3.664 C A 0038 PHE CG
C A 0038 PHE C 2.502 C A 0039 ILE CA
C A 0038 PHE C 3.306 C A 0039 ILE C
C A 0038 PHE C 3.758 C A 0039 ILE CB
C A 0039 ILE C 2.503 C A 0040 THR CA
C A 0039 ILE C 3.340 C A 0040 THR C
C A 0039 ILE C 3.765 C A 0040 THR CB
C A 0039 ILE CD1 3.622 C A 0041 LYS CE
C A 0040 THR C 2.507 C A 0041 LYS CA
C A 0040 THR C 3.484 C A 0041 LYS C
C A 0040 THR C 3.616 C A 0041 LYS CB
C A 0040 THR CG2 3.700 C A 0047 TYR CD1
C A 0041 LYS C 2.498 C A 0042 GLY CA
C A 0041 LYS C 3.707 C A 0042 GLY C
C A 0042 GLY C 2.487 C A 0043 LEU CA
C A 0042 GLY C 3.423 C A 0043 LEU C
C A 0042 GLY C 3.653 C A 0043 LEU CB
C A 0043 LEU C 2.497 C A 0044 GLY CA
C A 0043 LEU C 3.278 C A 0044 GLY C
C A 0044 GLY C 2.497 C A 0045 ILE CA
C A 0044 GLY C 3.633 C A 0045 ILE C
C A 0044 GLY C 3.449 C A 0045 ILE CB
C A 0044 GLY C 3.544 C A 0045 ILE CG1
C A 0045 ILE C 2.519 C A 0046 SER CA
C A 0045 ILE C 3.208 C A 0046 SER C
C A 0045 ILE C 3.760 C A 0046 SER CB
C A 0046 SER C 2.483 C A 0047 TYR CA
C A 0046 SER C 3.142 C A 0047 TYR C
C A 0046 SER C 3.791 C A 0047 TYR CB
C A 0047 TYR C 2.476 C A 0048 GLY CA
C A 0048 GLY C 2.504 C A 0049 ARG CA
C A 0048 GLY C 3.249 C A 0049 ARG C
C A 0048 GLY C 3.722 C A 0049 ARG CB
C A 0049 ARG C 2.510 C A 0050 LYS CA
C A 0049 ARG C 3.442 C A 0050 LYS C
C A 0049 ARG C 3.640 C A 0050 LYS CB
C A 0050 LYS C 2.514 C A 0051 LYS CA
C A 0050 LYS C 3.695 C A 0051 LYS C
C A 0050 LYS C 3.384 C A 0051 LYS CB
C A 0050 LYS C 3.512 C A 0051 LYS CG
C A 0051 LYS C 2.532 C A 0052 ARG CA
C A 0051 LYS C 3.336 C A 0052 ARG C
C A 0051 LYS C 3.129 C A 0052 ARG CB
C A 0052 ARG C 2.497 C A 0053 ARG CA
C A 0052 ARG C 3.620 C A 0053 ARG C
C A 0052 ARG C 3.398 C A 0053 ARG CB
C A 0053 ARG C 2.506 C A 0054 GLN CA
C A 0053 ARG C 3.797 C A 0054 GLN C
C A 0053 ARG C 3.139 C A 0054 GLN CB
C A 0054 GLN C 2.504 C A 0055 ARG CA
C A 0054 GLN C 3.691 C A 0055 ARG C
C A 0054 GLN C 3.372 C A 0055 ARG CB
C A 0055 ARG C 2.507 C A 0056 ARG CA
C A 0055 ARG C 3.675 C A 0056 ARG C
C A 0055 ARG C 3.398 C A 0056 ARG CB
C A 0056 ARG C 2.506 C A 0057 ARG CA
C A 0056 ARG C 3.667 C A 0057 ARG C
C A 0056 ARG C 3.395 C A 0057 ARG CB
C A 0057 ARG CA 3.118 C A 0058 PRO CD
C A 0057 ARG C 2.522 C A 0058 PRO CA
C A 0057 ARG C 3.318 C A 0058 PRO C
C A 0057 ARG C 3.656 C A 0058 PRO CB
C A 0057 ARG C 3.676 C A 0058 PRO CG
C A 0057 ARG C 2.512 C A 0058 PRO CD
C A 0057 ARG CB 3.342 C A 0058 PRO CD
C A 0058 PRO CA 3.052 C A 0059 PRO CD
C A 0058 PRO C 2.526 C A 0059 PRO CA
C A 0058 PRO C 3.251 C A 0059 PRO C
C A 0058 PRO C 3.716 C A 0059 PRO CB
C A 0058 PRO C 3.666 C A 0059 PRO CG
C A 0058 PRO C 2.514 C A 0059 PRO CD
C A 0058 PRO CB 3.429 C A 0059 PRO CD
C A 0058 PRO C 3.715 C A 0060 GLN CB
C A 0059 PRO CA 3.275 C A 0060 GLN CA
C A 0059 PRO C 2.545 C A 0060 GLN CA
C A 0059 PRO C 3.785 C A 0060 GLN C
C A 0059 PRO C 3.338 C A 0060 GLN CB
C A 0059 PRO CB 3.661 C A 0060 GLN CA
C A 0060 GLN C 2.494 H A 0061 GLY CA
C A 0060 GLN C 3.239 H A 0061 GLY C
H A 0061 GLY C 2.490 H A 0062 ASN CA
H A 0061 GLY C 3.106 H A 0062 ASN C
H A 0061 GLY C 3.795 H A 0062 ASN CB
H A 0061 GLY CA 3.718 C A 0087 GLU CD
H A 0061 GLY C 3.396 C A 0087 GLU CD
H A 0062 ASN C 2.495 H A 0063 GLN CA
H A 0062 ASN C 3.297 H A 0063 GLN C
H A 0062 ASN C 3.713 H A 0063 GLN CB
H A 0063 GLN C 2.503 H A 0064 ALA CA
H A 0063 GLN C 3.431 H A 0064 ALA C
H A 0063 GLN C 3.647 H A 0064 ALA CB
H A 0064 ALA C 2.530 H A 0065 HIS CA
H A 0064 ALA C 3.396 H A 0065 HIS C
H A 0064 ALA C 3.764 H A 0065 HIS CB
H A 0065 HIS C 2.513 H A 0066 GLN CA
H A 0065 HIS C 3.401 H A 0066 GLN C
H A 0065 HIS C 3.635 H A 0066 GLN CB
H A 0065 HIS CB 3.490 C A 0087 GLU C
H A 0066 GLN C 2.493 C A 0067 ASP CA
H A 0066 GLN C 3.445 C A 0067 ASP C
H A 0066 GLN C 3.682 C A 0067 ASP CB
H A 0066 GLN C 3.532 C A 0081 HIS CE1
C A 0067 ASP CA 3.101 C A 0068 PRO CD
C A 0067 ASP C 2.509 C A 0068 PRO CA
C A 0067 ASP C 3.452 C A 0068 PRO C
C A 0067 ASP C 3.505 C A 0068 PRO CB
C A 0067 ASP C 3.665 C A 0068 PRO CG
C A 0067 ASP C 2.524 C A 0068 PRO CD
C A 0067 ASP CB 3.403 C A 0068 PRO CD
C A 0067 ASP CB 3.773 C A 0080 ASP CA
C A 0067 ASP CG 3.576 C A 0081 HIS CG
C A 0067 ASP CG 3.686 C A 0081 HIS CE1
C A 0068 PRO C 2.515 C A 0069 LEU CA
C A 0068 PRO C 3.788 C A 0069 LEU C
C A 0068 PRO C 3.376 C A 0069 LEU CB
C A 0068 PRO C 3.589 C A 0069 LEU CG
C A 0068 PRO C 3.750 C A 0077 HIS CE1
C A 0068 PRO CB 3.722 C A 0077 HIS C
C A 0068 PRO CG 3.666 C A 0078 ARG C
C A 0069 LEU CA 3.142 C A 0070 PRO CD
C A 0069 LEU C 2.515 C A 0070 PRO CA
C A 0069 LEU C 3.365 C A 0070 PRO C
C A 0069 LEU C 3.624 C A 0070 PRO CB
C A 0069 LEU C 3.719 C A 0070 PRO CG
C A 0069 LEU C 2.535 C A 0070 PRO CD
C A 0069 LEU CB 3.546 C A 0070 PRO CD
C A 0070 PRO C 2.504 C A 0071 GLU CA
C A 0070 PRO C 3.299 C A 0071 GLU C
C A 0070 PRO C 3.717 C A 0071 GLU CB
C A 0071 GLU C 2.494 C A 0072 GLN CA
C A 0071 GLU C 3.668 C A 0072 GLN C
C A 0071 GLU C 3.381 C A 0072 GLN CB
C A 0071 GLU C 3.505 C A 0072 GLN CG
C A 0071 GLU CD 3.580 C A 0086 LYS CD
C A 0072 GLN CA 3.036 C A 0073 PRO CD
C A 0072 GLN C 2.510 C A 0073 PRO CA
C A 0072 GLN C 3.312 C A 0073 PRO C
C A 0072 GLN C 3.656 C A 0073 PRO CB
C A 0072 GLN C 3.678 C A 0073 PRO CG
C A 0072 GLN C 2.503 C A 0073 PRO CD
C A 0073 PRO C 2.502 C A 0074 SER CA
C A 0073 PRO C 3.736 C A 0074 SER C
C A 0073 PRO C 3.223 C A 0074 SER CB
C A 0074 SER C 2.506 C A 0075 SER CA
C A 0074 SER C 3.738 C A 0075 SER C
C A 0074 SER C 3.346 C A 0075 SER CB
C A 0074 SER C 3.680 C A 0078 ARG CB
C A 0075 SER C 2.525 C A 0076 GLN CA
C A 0075 SER C 3.296 C A 0076 GLN C
C A 0075 SER C 3.170 C A 0076 GLN CB
C A 0076 GLN C 2.512 C A 0077 HIS CA
C A 0076 GLN C 3.199 C A 0077 HIS C
C A 0076 GLN C 3.219 C A 0077 HIS CB
C A 0077 HIS C 2.507 C A 0078 ARG CA
C A 0077 HIS C 3.686 C A 0078 ARG C
C A 0077 HIS C 3.359 C A 0078 ARG CB
C A 0077 HIS C 3.567 C A 0078 ARG CG
C A 0078 ARG C 2.513 C A 0079 GLY CA
C A 0078 ARG C 3.730 C A 0079 GLY C
C A 0079 GLY C 2.509 C A 0080 ASP CA
C A 0079 GLY C 3.289 C A 0080 ASP C
C A 0079 GLY C 3.219 C A 0080 ASP CB
C A 0080 ASP C 2.500 C A 0081 HIS CA
C A 0080 ASP C 3.231 C A 0081 HIS CB
C A 0081 HIS CA 3.202 C A 0082 PRO CD
C A 0081 HIS C 2.522 C A 0082 PRO CA
C A 0081 HIS C 3.416 C A 0082 PRO C
C A 0081 HIS C 3.597 C A 0082 PRO CB
C A 0081 HIS C 3.538 C A 0082 PRO CG
C A 0081 HIS C 2.543 C A 0082 PRO CD
C A 0081 HIS CG 3.684 C A 0082 PRO CD
C A 0081 HIS CE1 3.652 C A 0082 PRO CG
C A 0082 PRO CA 3.760 C A 0083 THR CA
C A 0082 PRO C 2.468 C A 0083 THR CA
C A 0082 PRO C 3.161 C A 0083 THR C
C A 0082 PRO C 3.729 C A 0083 THR CB
C A 0082 PRO CB 3.739 C A 0083 THR C
C A 0083 THR C 2.488 C A 0084 GLY CA
C A 0084 GLY CA 3.011 C A 0085 PRO CD
C A 0084 GLY C 2.502 C A 0085 PRO CA
C A 0084 GLY C 3.349 C A 0085 PRO C
C A 0084 GLY C 3.604 C A 0085 PRO CB
C A 0084 GLY C 3.687 C A 0085 PRO CG
C A 0084 GLY C 2.505 C A 0085 PRO CD
C A 0085 PRO C 2.510 C A 0086 LYS CA
C A 0085 PRO C 3.699 C A 0086 LYS C
C A 0085 PRO C 3.282 C A 0086 LYS CB
C A 0086 LYS C 2.509 C A 0087 GLU CA
C A 0086 LYS C 3.229 C A 0087 GLU C
C A 0086 LYS C 3.164 C A 0087 GLU CB
CHARGE_ATTR 2.00 12.00 93
C A 0002 ASP OD2 11.90 C A 0051 LYS NZ
C A 0002 ASP OD1 4.697 C A 0053 ARG NH1
C A 0002 ASP OD1 2.681 C A 0053 ARG NH2
C A 0002 ASP OD2 5.043 C A 0053 ARG NH1
C A 0002 ASP OD2 3.732 C A 0053 ARG NH2
C A 0002 ASP OD1 4.700 C A 0055 ARG NH1
C A 0002 ASP OD1 6.363 C A 0055 ARG NH2
C A 0002 ASP OD2 6.679 C A 0055 ARG NH1
C A 0002 ASP OD2 8.239 C A 0055 ARG NH2
C A 0005 ASP OD1 7.106 C A 0055 ARG NH1
C A 0005 ASP OD1 6.591 C A 0055 ARG NH2
C A 0005 ASP OD2 7.579 C A 0055 ARG NH1
C A 0005 ASP OD2 6.431 C A 0055 ARG NH2
C A 0005 ASP OD1 10.64 C A 0056 ARG NH1
C A 0005 ASP OD2 10.15 C A 0056 ARG NH1
C A 0005 ASP OD2 11.94 C A 0056 ARG NH2
C A 0005 ASP OD1 6.117 C A 0057 ARG NH1
C A 0005 ASP OD1 4.788 C A 0057 ARG NH2
C A 0005 ASP OD2 4.516 C A 0057 ARG NH1
C A 0005 ASP OD2 2.890 C A 0057 ARG NH2
C A 0009 GLU OE2 11.02 C A 0051 LYS NZ
C A 0009 GLU OE1 10.72 C A 0053 ARG NH2
C A 0009 GLU OE2 11.56 C A 0053 ARG NH2
C A 0009 GLU OE1 7.448 C A 0055 ARG NH1
C A 0009 GLU OE1 8.755 C A 0055 ARG NH2
C A 0009 GLU OE2 8.967 C A 0055 ARG NH1
C A 0009 GLU OE2 10.54 C A 0055 ARG NH2
C A 0009 GLU OE1 11.40 C A 0057 ARG NH2
C A 0009 GLU OE1 11.21 C A 0077 HIS ND1
C A 0009 GLU OE1 11.85 C A 0077 HIS NE2
C A 0009 GLU OE2 9.975 C A 0077 HIS ND1
C A 0009 GLU OE2 10.83 C A 0077 HIS NE2
C A 0067 ASP OD1 4.365 C A 0013 HIS ND1
C A 0067 ASP OD1 6.434 C A 0013 HIS NE2
C A 0067 ASP OD2 6.414 C A 0013 HIS ND1
C A 0067 ASP OD2 8.452 C A 0013 HIS NE2
C A 0067 ASP OD1 7.997 C A 0033 HIS ND1
C A 0067 ASP OD1 6.595 C A 0033 HIS NE2
C A 0067 ASP OD2 8.501 C A 0033 HIS ND1
C A 0067 ASP OD2 7.153 C A 0033 HIS NE2
C A 0067 ASP OD1 4.332 C A 0041 LYS NZ
C A 0067 ASP OD2 2.673 C A 0041 LYS NZ
C A 0067 ASP OD1 11.64 H A 0065 HIS ND1
C A 0067 ASP OD1 8.940 C A 0077 HIS ND1
C A 0067 ASP OD1 10.89 C A 0077 HIS NE2
C A 0067 ASP OD2 8.512 C A 0077 HIS ND1
C A 0067 ASP OD2 10.56 C A 0077 HIS NE2
C A 0067 ASP OD1 3.583 C A 0081 HIS ND1
C A 0067 ASP OD1 3.447 C A 0081 HIS NE2
C A 0067 ASP OD2 3.904 C A 0081 HIS ND1
C A 0067 ASP OD2 4.671 C A 0081 HIS NE2
C A 0071 GLU OE1 11.31 C A 0077 HIS ND1
C A 0071 GLU OE1 9.675 C A 0077 HIS NE2
C A 0071 GLU OE2 11.70 C A 0077 HIS NE2
C A 0071 GLU OE1 10.07 C A 0078 ARG NH1
C A 0071 GLU OE2 11.85 C A 0078 ARG NH1
C A 0071 GLU OE1 2.914 C A 0086 LYS NZ
C A 0071 GLU OE2 2.676 C A 0086 LYS NZ
C A 0080 ASP OD1 10.57 C A 0013 HIS ND1
C A 0080 ASP OD2 11.79 C A 0013 HIS ND1
C A 0080 ASP OD1 11.01 C A 0033 HIS NE2
C A 0080 ASP OD2 11.44 C A 0033 HIS NE2
C A 0080 ASP OD1 2.714 C A 0041 LYS NZ
C A 0080 ASP OD2 4.733 C A 0041 LYS NZ
C A 0080 ASP OD1 5.889 C A 0077 HIS ND1
C A 0080 ASP OD1 7.875 C A 0077 HIS NE2
C A 0080 ASP OD2 6.309 C A 0077 HIS ND1
C A 0080 ASP OD2 7.809 C A 0077 HIS NE2
C A 0080 ASP OD1 11.10 C A 0078 ARG NH1
C A 0080 ASP OD1 11.14 C A 0078 ARG NH2
C A 0080 ASP OD2 9.248 C A 0078 ARG NH1
C A 0080 ASP OD2 9.403 C A 0078 ARG NH2
C A 0080 ASP OD1 7.701 C A 0081 HIS ND1
C A 0080 ASP OD1 9.112 C A 0081 HIS NE2
C A 0080 ASP OD2 8.337 C A 0081 HIS ND1
C A 0080 ASP OD2 10.13 C A 0081 HIS NE2
C A 0087 GLU OE1 11.49 C A 0013 HIS ND1
C A 0087 GLU OE1 9.784 C A 0013 HIS NE2
C A 0087 GLU OE2 10.97 C A 0013 HIS ND1
C A 0087 GLU OE2 9.187 C A 0013 HIS NE2
C A 0087 GLU OE1 6.814 C A 0019 ARG NH1
C A 0087 GLU OE1 4.647 C A 0019 ARG NH2
C A 0087 GLU OE2 6.337 C A 0019 ARG NH1
C A 0087 GLU OE2 4.494 C A 0019 ARG NH2
C A 0087 GLU OE1 11.86 C A 0033 HIS NE2
C A 0087 GLU OE2 10.81 C A 0033 HIS NE2
C A 0087 GLU OE1 5.690 H A 0065 HIS ND1
C A 0087 GLU OE1 5.424 H A 0065 HIS NE2
C A 0087 GLU OE2 4.106 H A 0065 HIS ND1
C A 0087 GLU OE2 3.342 H A 0065 HIS NE2
C A 0087 GLU OE2 11.68 C A 0081 HIS ND1
C A 0087 GLU OE2 11.87 C A 0081 HIS NE2
C A 0087 GLU OE1 10.47 C A 0086 LYS NZ
CHARGE_REPU 2.00 12.00 93
C A 0002 ASP OD1 10.62 C A 0005 ASP OD1
C A 0002 ASP OD1 11.49 C A 0005 ASP OD2
C A 0002 ASP OD2 11.83 C A 0005 ASP OD1
C A 0002 ASP OD1 8.082 C A 0009 GLU OE1
C A 0002 ASP OD1 8.956 C A 0009 GLU OE2
C A 0002 ASP OD2 8.438 C A 0009 GLU OE1
C A 0002 ASP OD2 9.063 C A 0009 GLU OE2
C A 0005 ASP OD1 6.691 C A 0009 GLU OE1
C A 0005 ASP OD1 8.688 C A 0009 GLU OE2
C A 0005 ASP OD2 8.746 C A 0009 GLU OE1
C A 0005 ASP OD2 10.78 C A 0009 GLU OE2
C A 0009 GLU OE2 11.65 C A 0067 ASP OD1
C A 0013 HIS NE2 11.97 C A 0019 ARG NH2
C A 0013 HIS ND1 11.58 C A 0028 LYS NZ
C A 0013 HIS NE2 10.73 C A 0028 LYS NZ
C A 0013 HIS ND1 7.054 C A 0033 HIS ND1
C A 0013 HIS ND1 5.905 C A 0033 HIS NE2
C A 0013 HIS NE2 7.921 C A 0033 HIS ND1
C A 0013 HIS NE2 6.719 C A 0033 HIS NE2
C A 0013 HIS ND1 8.682 C A 0041 LYS NZ
C A 0013 HIS NE2 10.69 C A 0041 LYS NZ
C A 0013 HIS NE2 11.74 C A 0056 ARG NH2
C A 0013 HIS ND1 9.486 H A 0065 HIS ND1
C A 0013 HIS ND1 9.969 H A 0065 HIS NE2
C A 0013 HIS NE2 8.280 H A 0065 HIS ND1
C A 0013 HIS NE2 8.334 H A 0065 HIS NE2
C A 0013 HIS ND1 11.93 C A 0077 HIS ND1
C A 0013 HIS ND1 4.970 C A 0081 HIS ND1
C A 0013 HIS ND1 3.217 C A 0081 HIS NE2
C A 0013 HIS NE2 6.478 C A 0081 HIS ND1
C A 0013 HIS NE2 5.030 C A 0081 HIS NE2
C A 0019 ARG NH1 10.91 C A 0056 ARG NH2
C A 0019 ARG NH2 11.01 C A 0056 ARG NH2
C A 0019 ARG NH1 9.816 H A 0065 HIS ND1
C A 0019 ARG NH1 7.956 H A 0065 HIS NE2
C A 0019 ARG NH2 8.352 H A 0065 HIS ND1
C A 0019 ARG NH2 6.773 H A 0065 HIS NE2
C A 0028 LYS NZ 8.883 C A 0029 LYS NZ
C A 0028 LYS NZ 10.84 C A 0033 HIS ND1
C A 0028 LYS NZ 11.95 C A 0033 HIS NE2
C A 0028 LYS NZ 11.82 H A 0065 HIS NE2
C A 0029 LYS NZ 10.89 C A 0033 HIS ND1
C A 0033 HIS ND1 11.07 C A 0041 LYS NZ
C A 0033 HIS NE2 9.767 C A 0041 LYS NZ
C A 0033 HIS ND1 8.797 H A 0065 HIS ND1
C A 0033 HIS ND1 9.887 H A 0065 HIS NE2
C A 0033 HIS NE2 7.404 H A 0065 HIS ND1
C A 0033 HIS NE2 8.779 H A 0065 HIS NE2
C A 0033 HIS ND1 5.292 C A 0081 HIS ND1
C A 0033 HIS ND1 4.746 C A 0081 HIS NE2
C A 0033 HIS NE2 3.443 C A 0081 HIS ND1
C A 0033 HIS NE2 3.513 C A 0081 HIS NE2
C A 0041 LYS NZ 7.127 C A 0077 HIS ND1
C A 0041 LYS NZ 9.361 C A 0077 HIS NE2
C A 0041 LYS NZ 6.480 C A 0081 HIS ND1
C A 0041 LYS NZ 7.314 C A 0081 HIS NE2
C A 0049 ARG NH1 11.72 C A 0050 LYS NZ
C A 0049 ARG NH2 11.58 C A 0050 LYS NZ
C A 0049 ARG NH1 10.82 C A 0052 ARG NH1
C A 0049 ARG NH2 10.50 C A 0052 ARG NH1
C A 0049 ARG NH2 11.67 C A 0052 ARG NH2
C A 0050 LYS NZ 11.48 C A 0052 ARG NH1
C A 0050 LYS NZ 11.90 C A 0052 ARG NH2
C A 0051 LYS NZ 11.25 C A 0052 ARG NH1
C A 0053 ARG NH1 8.079 C A 0055 ARG NH1
C A 0053 ARG NH1 9.202 C A 0055 ARG NH2
C A 0053 ARG NH2 5.936 C A 0055 ARG NH1
C A 0053 ARG NH2 7.195 C A 0055 ARG NH2
C A 0055 ARG NH2 11.09 C A 0056 ARG NH1
C A 0055 ARG NH1 11.35 C A 0057 ARG NH1
C A 0055 ARG NH1 10.14 C A 0057 ARG NH2
C A 0055 ARG NH2 9.784 C A 0057 ARG NH1
C A 0055 ARG NH2 8.636 C A 0057 ARG NH2
C A 0056 ARG NH1 8.560 C A 0057 ARG NH1
C A 0056 ARG NH1 10.06 C A 0057 ARG NH2
C A 0056 ARG NH2 9.893 C A 0057 ARG NH1
C A 0056 ARG NH2 11.62 C A 0057 ARG NH2
H A 0065 HIS ND1 9.015 C A 0081 HIS ND1
H A 0065 HIS ND1 9.377 C A 0081 HIS NE2
H A 0065 HIS NE2 10.53 C A 0081 HIS ND1
H A 0065 HIS NE2 10.46 C A 0081 HIS NE2
C A 0067 ASP OD1 6.355 C A 0080 ASP OD1
C A 0067 ASP OD1 7.806 C A 0080 ASP OD2
C A 0067 ASP OD2 4.627 C A 0080 ASP OD1
C A 0067 ASP OD2 6.068 C A 0080 ASP OD2
C A 0071 GLU OE2 11.58 C A 0087 GLU OE1
C A 0077 HIS ND1 10.41 C A 0078 ARG NH1
C A 0077 HIS ND1 10.90 C A 0078 ARG NH2
C A 0077 HIS NE2 9.606 C A 0078 ARG NH1
C A 0077 HIS NE2 10.36 C A 0078 ARG NH2
C A 0077 HIS ND1 10.89 C A 0081 HIS ND1
C A 0077 HIS ND1 11.96 C A 0081 HIS NE2
C A 0077 HIS NE2 10.51 C A 0086 LYS NZ
HB_MM 2.00 3.20 104
C A 0002 ASP N 2.237 C A 0001 MET O
C A 0003 PRO N 2.233 C A 0002 ASP O
C A 0004 VAL N 2.245 C A 0003 PRO O
C A 0005 ASP N 2.243 C A 0004 VAL O
C A 0006 PRO N 2.229 C A 0005 ASP O
C A 0007 ASN N 2.242 C A 0006 PRO O
C A 0008 LEU N 2.252 C A 0007 ASN O
C A 0009 GLU N 2.249 C A 0008 LEU O
C A 0010 PRO N 2.248 C A 0009 GLU O
C A 0011 TRP N 3.160 C A 0009 GLU O
C A 0011 TRP N 2.250 C A 0010 PRO O
C A 0012 ASN N 2.245 C A 0011 TRP O
C A 0013 HIS N 2.255 C A 0012 ASN O
C A 0014 PRO N 2.250 C A 0013 HIS O
C A 0015 GLY N 2.250 C A 0014 PRO O
C A 0016 SER N 2.262 C A 0015 GLY O
C A 0016 SER N 2.902 C A 0021 PRO O
C A 0016 SER N 3.196 C A 0027 CYS O
C A 0017 GLN N 2.239 C A 0016 SER O
C A 0018 PRO N 2.242 C A 0017 GLN O
C A 0019 ARG N 2.265 C A 0018 PRO O
C A 0020 THR N 3.078 C A 0018 PRO O
C A 0020 THR N 2.243 C A 0019 ARG O
C A 0021 PRO N 2.229 C A 0020 THR O
C A 0022 CYS N 2.235 C A 0021 PRO O
C A 0023 ASN N 2.254 C A 0022 CYS O
C A 0024 LYS N 2.224 C A 0023 ASN O
C A 0025 CYS N 2.239 C A 0024 LYS O
C A 0026 TYR N 2.252 C A 0025 CYS O
C A 0027 CYS N 2.253 C A 0026 TYR O
C A 0028 LYS N 3.106 C A 0026 TYR O
C A 0028 LYS N 2.243 C A 0027 CYS O
C A 0029 LYS N 2.237 C A 0028 LYS O
C A 0030 CYS N 2.241 C A 0029 LYS O
C A 0030 CYS N 3.137 C A 0031 CYS O
C A 0031 CYS N 2.146 C A 0030 CYS O
C A 0032 TYR N 2.237 C A 0031 CYS O
C A 0033 HIS N 2.234 C A 0032 TYR O
C A 0034 CYS N 2.254 C A 0033 HIS O
C A 0035 GLN N 2.260 C A 0034 CYS O
C A 0036 MET N 3.015 C A 0034 CYS O
C A 0036 MET N 2.251 C A 0035 GLN O
C A 0037 CYS N 3.100 C A 0035 GLN O
C A 0037 CYS N 2.243 C A 0036 MET O
C A 0038 PHE N 2.250 C A 0037 CYS O
C A 0039 ILE N 2.246 C A 0038 PHE O
C A 0040 THR N 2.248 C A 0039 ILE O
C A 0041 LYS N 2.961 C A 0039 ILE O
C A 0041 LYS N 2.250 C A 0040 THR O
C A 0042 GLY N 2.248 C A 0041 LYS O
C A 0043 LEU N 2.243 C A 0042 GLY O
C A 0044 GLY N 3.118 C A 0042 GLY O
C A 0044 GLY N 2.251 C A 0043 LEU O
C A 0045 ILE N 2.248 C A 0044 GLY O
C A 0046 SER N 2.255 C A 0045 ILE O
C A 0047 TYR N 2.240 C A 0046 SER O
C A 0048 GLY N 2.245 C A 0047 TYR O
C A 0049 ARG N 2.258 C A 0048 GLY O
C A 0050 LYS N 2.256 C A 0049 ARG O
C A 0051 LYS N 2.247 C A 0050 LYS O
C A 0052 ARG N 2.919 C A 0045 ILE O
C A 0052 ARG N 2.250 C A 0051 LYS O
C A 0053 ARG N 2.255 C A 0052 ARG O
C A 0054 GLN N 2.234 C A 0053 ARG O
C A 0055 ARG N 2.248 C A 0054 GLN O
C A 0056 ARG N 2.247 C A 0055 ARG O
C A 0057 ARG N 2.253 C A 0056 ARG O
C A 0058 PRO N 2.239 C A 0057 ARG O
C A 0059 PRO N 2.249 C A 0058 PRO O
C A 0060 GLN N 2.141 C A 0059 PRO O
H A 0061 GLY N 2.245 C A 0060 GLN O
H A 0062 ASN N 2.268 H A 0061 GLY O
H A 0063 GLN N 2.227 H A 0062 ASN O
H A 0064 ALA N 2.861 H A 0061 GLY O
H A 0064 ALA N 2.223 H A 0063 GLN O
H A 0065 HIS N 3.087 H A 0061 GLY O
H A 0065 HIS N 2.234 H A 0064 ALA O
H A 0066 GLN N 2.844 H A 0062 ASN O
H A 0066 GLN N 2.252 H A 0065 HIS O
C A 0067 ASP N 2.243 H A 0066 GLN O
C A 0068 PRO N 2.247 C A 0067 ASP O
C A 0069 LEU N 2.247 C A 0068 PRO O
C A 0070 PRO N 2.250 C A 0069 LEU O
C A 0071 GLU N 2.248 C A 0070 PRO O
C A 0072 GLN N 2.946 C A 0070 PRO O
C A 0072 GLN N 2.237 C A 0071 GLU O
C A 0073 PRO N 2.243 C A 0072 GLN O
C A 0074 SER N 3.028 C A 0072 GLN O
C A 0074 SER N 2.247 C A 0073 PRO O
C A 0075 SER N 2.235 C A 0074 SER O
C A 0076 GLN N 2.258 C A 0075 SER O
C A 0077 HIS N 2.252 C A 0076 GLN O
C A 0078 ARG N 2.252 C A 0077 HIS O
C A 0079 GLY N 3.197 C A 0074 SER O
C A 0079 GLY N 2.247 C A 0078 ARG O
C A 0080 ASP N 2.251 C A 0079 GLY O
C A 0081 HIS N 3.142 C A 0079 GLY O
C A 0081 HIS N 2.240 C A 0080 ASP O
C A 0082 PRO N 2.233 C A 0081 HIS O
C A 0083 THR N 2.236 C A 0082 PRO O
C A 0084 GLY N 2.257 C A 0083 THR O
C A 0085 PRO N 2.243 C A 0084 GLY O
C A 0086 LYS N 2.253 C A 0085 PRO O
C A 0087 GLU N 2.266 C A 0086 LYS O
HB_MS 2.00 3.20 37
C A 0002 ASP O 2.837 C A 0055 ARG NH1
C A 0004 VAL O 3.043 C A 0055 ARG NH1
C A 0006 PRO O 2.926 H A 0063 GLN NE2
C A 0007 ASN N 2.851 C A 0005 ASP OD1
C A 0007 ASN O 3.091 H A 0063 GLN NE2
C A 0010 PRO O 2.979 C A 0077 HIS ND1
C A 0014 PRO O 2.992 C A 0054 GLN NE2
C A 0017 GLN N 2.946 C A 0016 SER OG
C A 0017 GLN O 2.800 C A 0028 LYS NZ
C A 0018 PRO O 2.715 C A 0020 THR OG1
C A 0019 ARG N 3.068 C A 0017 GLN OE1
C A 0020 THR O 2.985 C A 0056 ARG NH2
C A 0027 CYS O 2.599 C A 0016 SER OG
C A 0028 LYS O 2.800 C A 0016 SER OG
C A 0029 LYS O 2.933 C A 0028 LYS NZ
C A 0030 CYS O 2.909 C A 0029 LYS NZ
C A 0039 ILE O 2.981 C A 0047 TYR OH
C A 0044 GLY O 2.770 C A 0051 LYS NZ
C A 0048 GLY O 3.082 C A 0052 ARG NH1
C A 0053 ARG O 2.696 C A 0026 TYR OH
C A 0054 GLN N 3.090 C A 0002 ASP OD2
C A 0057 ARG O 2.959 C A 0056 ARG NH1
C A 0058 PRO O 2.992 C A 0056 ARG NH2
C A 0059 PRO O 3.018 C A 0056 ARG NH2
H A 0062 ASN N 2.908 C A 0087 GLU OE1
H A 0063 GLN O 3.011 C A 0013 HIS NE2
H A 0064 ALA O 3.060 C A 0013 HIS NE2
H A 0066 GLN O 3.191 C A 0013 HIS ND1
C A 0068 PRO O 2.974 H A 0066 GLN NE2
C A 0075 SER N 2.985 C A 0074 SER OG
C A 0076 GLN N 2.976 C A 0080 ASP OD2
C A 0077 HIS N 3.175 C A 0080 ASP OD1
C A 0077 HIS N 2.952 C A 0080 ASP OD2
C A 0078 ARG N 2.780 C A 0080 ASP OD2
C A 0083 THR N 2.967 C A 0032 TYR OH
C A 0083 THR O 2.647 C A 0032 TYR OH
C A 0087 GLU N 3.148 H A 0066 GLN OE1
HB_SS 2.00 3.20 8
C A 0005 ASP OD1 3.125 C A 0007 ASN ND2
C A 0005 ASP OD2 3.052 C A 0007 ASN ND2
C A 0009 GLU OE1 2.988 C A 0012 ASN ND2
C A 0028 LYS NZ 3.128 C A 0023 ASN OD1
C A 0046 SER OG 2.715 C A 0012 ASN OD1
C A 0060 GLN NE2 3.130 H A 0062 ASN OD1
C A 0067 ASP OD1 2.972 C A 0011 TRP NE1
C A 0078 ARG NH1 2.857 C A 0072 GLN OE1
AROMATIC 0.00 8.00 9
C A 0013 HIS 5.610 C A 0081 HIS
C A 0038 PHE 5.875 C A 0081 HIS
C A 0041 LYS 6.091 C A 0011 TRP
C A 0041 LYS 6.648 C A 0081 HIS
C A 0011 TRP 3.491 C A 0047 TYR
C A 0038 PHE 5.961 C A 0047 TYR
C A 0041 LYS 5.724 C A 0047 TYR
C A 0011 TRP 5.863 C A 0038 PHE
C A 0013 HIS 5.626 C A 0038 PHE