Complet list of 1kx2 con file
Complete list of 1kx2.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 330
C A -001 LEU CA 3.780 C A 0001 GLN CA
C A -001 LEU C 2.453 C A 0001 GLN CA
C A -001 LEU C 3.544 C A 0001 GLN C
C A -001 LEU C 3.434 C A 0001 GLN CB
C A -001 LEU C 3.663 C A 0001 GLN CG
C A -001 LEU CD1 3.516 C A 0062 CYS CA
C A -002 ASP C 2.507 C A -001 LEU CA
C A -002 ASP C 3.518 C A -001 LEU C
C A -002 ASP C 3.457 C A -001 LEU CB
C A -003 ALA CA 3.799 C A -002 ASP CA
C A -003 ALA C 2.435 C A -002 ASP CA
C A -003 ALA C 3.698 C A -002 ASP C
C A -003 ALA C 3.132 C A -002 ASP CB
C A -003 ALA C 3.143 C A -002 ASP CG
C A -003 ALA CB 3.727 H A 0009 LYS CE
C A 0001 GLN C 2.438 H A 0002 ASP CA
C A 0001 GLN C 3.667 H A 0002 ASP C
C A 0001 GLN C 3.168 H A 0002 ASP CB
H A 0002 ASP C 2.471 H A 0003 ALA CA
H A 0002 ASP C 2.988 H A 0003 ALA C
H A 0002 ASP C 3.648 H A 0003 ALA CB
H A 0003 ALA C 2.448 H A 0004 GLU CA
H A 0003 ALA C 3.006 H A 0004 GLU C
H A 0003 ALA C 3.737 H A 0004 GLU CB
H A 0003 ALA CB 3.446 H A 0069 ALA C
H A 0003 ALA CB 3.515 H A 0069 ALA CB
H A 0004 GLU C 2.446 H A 0005 ALA CA
H A 0004 GLU C 3.063 H A 0005 ALA C
H A 0004 GLU C 3.712 H A 0005 ALA CB
H A 0004 GLU CA 3.726 H A 0007 TYR CD2
H A 0004 GLU CB 3.771 H A 0073 PHE CE2
H A 0004 GLU CD 3.740 H A 0073 PHE CE2
H A 0004 GLU CD 3.587 H A 0073 PHE CZ
H A 0005 ALA C 2.452 H A 0006 ILE CA
H A 0005 ALA C 3.047 H A 0006 ILE C
H A 0005 ALA C 3.721 H A 0006 ILE CB
H A 0006 ILE C 2.406 H A 0007 TYR CA
H A 0006 ILE C 3.042 H A 0007 TYR C
H A 0006 ILE C 3.721 H A 0007 TYR CB
H A 0007 TYR C 2.445 H A 0008 ASN CA
H A 0007 TYR C 3.119 H A 0008 ASN C
H A 0007 TYR C 3.684 H A 0008 ASN CB
H A 0007 TYR CD2 3.660 H A 0073 PHE CD1
H A 0007 TYR CE2 3.238 H A 0073 PHE CD1
H A 0007 TYR CE2 3.243 H A 0073 PHE CE1
H A 0007 TYR CZ 3.703 H A 0073 PHE CE1
H A 0008 ASN C 2.438 H A 0009 LYS CA
H A 0008 ASN C 3.332 H A 0009 LYS C
H A 0008 ASN C 3.575 H A 0009 LYS CB
H A 0008 ASN C 3.763 C A 0012 THR CB
H A 0009 LYS C 2.465 H A 0010 ALA CA
H A 0009 LYS C 3.405 H A 0010 ALA C
H A 0009 LYS C 3.602 H A 0010 ALA CB
H A 0009 LYS C 3.380 C A 0012 THR CG2
H A 0010 ALA C 2.483 C A 0011 CYS CA
H A 0010 ALA C 3.221 C A 0011 CYS C
H A 0010 ALA C 3.697 C A 0011 CYS CB
C A 0011 CYS C 2.482 C A 0012 THR CA
C A 0011 CYS C 3.600 C A 0012 THR C
C A 0011 CYS C 3.423 C A 0012 THR CB
C A 0012 THR CA 3.783 C A 0013 VAL CA
C A 0012 THR C 2.432 C A 0013 VAL CA
C A 0012 THR C 3.066 C A 0013 VAL C
C A 0012 THR C 3.680 C A 0013 VAL CB
C A 0013 VAL CA 3.792 C A 0014 CYS CA
C A 0013 VAL C 2.472 C A 0014 CYS CA
C A 0013 VAL C 3.344 C A 0014 CYS C
C A 0013 VAL C 3.553 C A 0014 CYS CB
C A 0014 CYS C 2.469 C A 0015 HIS CA
C A 0014 CYS C 3.260 C A 0015 HIS C
C A 0014 CYS C 3.690 C A 0015 HIS CB
C A 0014 CYS C 3.707 H A 0022 ALA CB
C A 0014 CYS CB 3.672 H A 0022 ALA CB
C A 0015 HIS C 2.460 C A 0016 SER CA
C A 0015 HIS C 3.083 C A 0016 SER C
C A 0015 HIS C 3.723 C A 0016 SER CB
C A 0015 HIS CE1 3.579 C A 0023 PRO CG
C A 0015 HIS CE1 3.663 C A 0023 PRO CD
C A 0016 SER C 2.480 C A 0017 MET CA
C A 0016 SER C 3.399 C A 0017 MET C
C A 0016 SER C 3.620 C A 0017 MET CB
C A 0017 MET C 2.483 H A 0018 GLY CA
C A 0017 MET C 3.345 H A 0018 GLY C
H A 0018 GLY C 2.474 H A 0019 VAL CA
H A 0018 GLY C 3.220 H A 0019 VAL C
H A 0018 GLY C 3.707 H A 0019 VAL CB
H A 0019 VAL C 2.480 H A 0020 ALA CA
H A 0019 VAL C 3.075 H A 0020 ALA C
H A 0019 VAL C 3.101 H A 0020 ALA CB
H A 0020 ALA C 2.469 H A 0021 GLY CA
H A 0020 ALA C 3.179 H A 0021 GLY C
H A 0021 GLY C 2.431 H A 0022 ALA CA
H A 0021 GLY C 3.064 H A 0022 ALA C
H A 0021 GLY C 3.727 H A 0022 ALA CB
H A 0022 ALA CA 2.867 C A 0023 PRO CD
H A 0022 ALA C 2.471 C A 0023 PRO CA
H A 0022 ALA C 3.139 C A 0023 PRO C
H A 0022 ALA C 3.611 C A 0023 PRO CB
H A 0022 ALA C 3.664 C A 0023 PRO CG
H A 0022 ALA C 2.471 C A 0023 PRO CD
H A 0022 ALA CB 3.552 C A 0023 PRO CD
C A 0023 PRO C 2.423 C A 0024 LYS CA
C A 0023 PRO C 3.094 C A 0024 LYS C
C A 0023 PRO C 3.721 C A 0024 LYS CB
C A 0023 PRO CB 3.199 C A 0030 ASP CG
C A 0023 PRO CB 3.471 C A 0078 LYS CE
C A 0023 PRO CG 3.683 C A 0078 LYS CE
C A 0024 LYS C 2.495 C A 0025 SER CA
C A 0024 LYS C 3.092 C A 0025 SER C
C A 0024 LYS C 3.713 C A 0025 SER CB
C A 0024 LYS CB 3.740 C A 0027 ASN CG
C A 0025 SER C 2.474 C A 0026 HIS CA
C A 0025 SER C 3.642 C A 0026 HIS C
C A 0025 SER C 3.355 C A 0026 HIS CB
C A 0026 HIS C 2.486 C A 0027 ASN CA
C A 0026 HIS C 3.464 C A 0027 ASN C
C A 0026 HIS C 3.554 C A 0027 ASN CB
C A 0027 ASN C 2.453 C A 0028 THR CA
C A 0027 ASN C 3.431 C A 0028 THR C
C A 0027 ASN C 3.572 C A 0028 THR CB
C A 0027 ASN CB 3.300 C A 0030 ASP CB
C A 0027 ASN CG 3.728 C A 0030 ASP CB
C A 0027 ASN C 3.584 H A 0031 TRP CD1
C A 0027 ASN CB 3.689 H A 0031 TRP CD1
C A 0028 THR C 2.450 C A 0029 ALA CA
C A 0028 THR C 3.209 C A 0029 ALA C
C A 0028 THR C 3.674 C A 0029 ALA CB
C A 0029 ALA C 2.485 C A 0030 ASP CA
C A 0029 ALA C 3.234 C A 0030 ASP C
C A 0029 ALA C 3.603 C A 0030 ASP CB
C A 0030 ASP C 2.502 H A 0031 TRP CA
C A 0030 ASP C 3.409 H A 0031 TRP C
C A 0030 ASP C 3.616 H A 0031 TRP CB
C A 0030 ASP C 3.785 H A 0031 TRP CD1
C A 0030 ASP CG 3.600 C A 0078 LYS CE
H A 0031 TRP C 2.487 H A 0032 GLU CA
H A 0031 TRP C 3.006 H A 0032 GLU C
H A 0031 TRP C 3.749 H A 0032 GLU CB
H A 0031 TRP C 3.618 H A 0033 PRO CD
H A 0031 TRP CZ2 3.447 H A 0074 MET CB
H A 0031 TRP CZ3 3.600 H A 0074 MET CB
H A 0031 TRP CH2 3.065 H A 0074 MET CB
H A 0031 TRP CH2 3.695 H A 0074 MET CG
H A 0031 TRP CD2 3.763 H A 0075 SER CB
H A 0031 TRP CE3 3.608 H A 0075 SER C
H A 0031 TRP CE3 3.658 H A 0075 SER CB
H A 0031 TRP CD2 3.556 C A 0078 LYS CG
H A 0031 TRP CE2 3.669 C A 0078 LYS CE
H A 0031 TRP CE3 3.558 C A 0078 LYS CG
H A 0031 TRP CZ3 3.651 C A 0078 LYS CA
H A 0031 TRP CZ3 3.303 C A 0078 LYS C
H A 0031 TRP CZ3 3.768 C A 0078 LYS CG
H A 0031 TRP CH2 3.219 C A 0078 LYS C
H A 0032 GLU CA 3.003 H A 0033 PRO CD
H A 0032 GLU C 2.478 H A 0033 PRO CA
H A 0032 GLU C 3.230 H A 0033 PRO C
H A 0032 GLU C 3.649 H A 0033 PRO CB
H A 0032 GLU C 3.688 H A 0033 PRO CG
H A 0032 GLU C 2.501 H A 0033 PRO CD
H A 0032 GLU CB 3.215 H A 0033 PRO CD
H A 0033 PRO C 2.498 H A 0034 ARG CA
H A 0033 PRO C 3.568 H A 0034 ARG C
H A 0033 PRO C 3.434 H A 0034 ARG CB
H A 0033 PRO C 3.382 H A 0034 ARG CG
H A 0033 PRO C 3.686 H A 0034 ARG CD
H A 0034 ARG C 2.508 H A 0035 LEU CA
H A 0034 ARG C 3.136 H A 0035 LEU C
H A 0034 ARG C 3.756 H A 0035 LEU CB
H A 0034 ARG CB 3.546 C A 0077 ALA CB
H A 0035 LEU C 2.476 H A 0036 ALA CA
H A 0035 LEU C 3.202 H A 0036 ALA C
H A 0035 LEU C 3.691 H A 0036 ALA CB
H A 0036 ALA C 2.451 C A 0037 LYS CA
H A 0036 ALA C 3.243 C A 0037 LYS C
H A 0036 ALA C 3.660 C A 0037 LYS CB
C A 0037 LYS C 2.464 C A 0038 GLY CA
C A 0037 LYS C 3.723 C A 0038 GLY C
C A 0038 GLY C 2.477 C A 0039 VAL CA
C A 0038 GLY C 3.564 C A 0039 VAL C
C A 0038 GLY C 3.462 C A 0039 VAL CB
C A 0038 GLY C 3.390 C A 0039 VAL CG2
C A 0039 VAL C 2.492 C A 0040 ASP CA
C A 0039 VAL C 3.221 C A 0040 ASP C
C A 0039 VAL C 3.710 C A 0040 ASP CB
C A 0039 VAL CG1 3.756 C A 0076 LYS C
C A 0040 ASP C 2.509 H A 0041 ASN CA
C A 0040 ASP C 3.364 H A 0041 ASN C
C A 0040 ASP C 3.705 H A 0041 ASN CB
C A 0040 ASP CA 3.697 H A 0043 VAL CG1
C A 0040 ASP C 3.754 H A 0043 VAL CG1
H A 0041 ASN C 2.459 H A 0042 LEU CA
H A 0041 ASN C 3.327 H A 0042 LEU C
H A 0041 ASN C 3.606 H A 0042 LEU CB
H A 0041 ASN C 3.625 H A 0044 LYS CG
H A 0042 LEU C 2.489 H A 0043 VAL CA
H A 0042 LEU C 2.969 H A 0043 VAL C
H A 0042 LEU C 3.734 H A 0043 VAL CB
H A 0043 VAL C 2.475 H A 0044 LYS CA
H A 0043 VAL C 3.196 H A 0044 LYS C
H A 0043 VAL C 3.743 H A 0044 LYS CB
H A 0043 VAL CG2 3.703 H A 0067 TYR CB
H A 0043 VAL CG2 3.288 H A 0067 TYR CD1
H A 0043 VAL CA 3.753 H A 0071 ILE CD1
H A 0044 LYS C 2.451 H A 0045 SER CA
H A 0044 LYS C 2.981 H A 0045 SER C
H A 0044 LYS C 3.720 H A 0045 SER CB
H A 0045 SER C 2.435 H A 0046 VAL CA
H A 0045 SER C 3.097 H A 0046 VAL C
H A 0045 SER C 3.700 H A 0046 VAL CB
H A 0046 VAL C 2.437 H A 0047 LYS CA
H A 0046 VAL C 3.019 H A 0047 LYS C
H A 0046 VAL C 3.705 H A 0047 LYS CB
H A 0046 VAL CA 3.586 C A 0053 MET CE
H A 0046 VAL CG2 3.510 C A 0053 MET CE
H A 0046 VAL CB 3.788 H A 0067 TYR CE1
H A 0046 VAL CG1 3.182 H A 0067 TYR CE1
H A 0047 LYS C 2.466 H A 0048 THR CA
H A 0047 LYS C 3.173 H A 0048 THR C
H A 0047 LYS C 3.702 H A 0048 THR CB
H A 0047 LYS CB 3.764 H A 0067 TYR CZ
H A 0048 THR C 2.448 H A 0049 GLY CA
H A 0048 THR C 3.201 H A 0049 GLY C
H A 0049 GLY C 2.463 C A 0050 LEU CA
H A 0049 GLY C 3.071 C A 0050 LEU C
H A 0049 GLY C 3.702 C A 0050 LEU CB
H A 0049 GLY CA 3.781 H A 0054 PRO C
H A 0049 GLY CA 3.576 H A 0055 PRO CA
C A 0050 LEU C 2.488 C A 0051 ASN CA
C A 0050 LEU C 3.041 C A 0051 ASN C
C A 0050 LEU C 3.760 C A 0051 ASN CB
C A 0050 LEU CB 3.786 C A 0053 MET CB
C A 0051 ASN C 2.478 C A 0052 ALA CA
C A 0051 ASN C 3.295 C A 0052 ALA C
C A 0051 ASN C 3.658 C A 0052 ALA CB
C A 0052 ALA C 2.478 C A 0053 MET CA
C A 0052 ALA C 3.545 C A 0053 MET C
C A 0052 ALA C 3.501 C A 0053 MET CB
C A 0053 MET CA 2.998 H A 0054 PRO CD
C A 0053 MET C 2.444 H A 0054 PRO CA
C A 0053 MET C 3.063 H A 0054 PRO C
C A 0053 MET C 3.666 H A 0054 PRO CB
C A 0053 MET C 3.665 H A 0054 PRO CG
C A 0053 MET C 2.507 H A 0054 PRO CD
H A 0054 PRO CA 2.936 H A 0055 PRO CD
H A 0054 PRO C 2.462 H A 0055 PRO CA
H A 0054 PRO C 2.975 H A 0055 PRO C
H A 0054 PRO C 3.681 H A 0055 PRO CB
H A 0054 PRO C 3.652 H A 0055 PRO CG
H A 0054 PRO C 2.496 H A 0055 PRO CD
H A 0054 PRO CB 3.638 H A 0055 PRO CD
H A 0054 PRO CG 3.791 H A 0058 MET CA
H A 0054 PRO CG 3.714 H A 0058 MET CB
H A 0055 PRO C 2.426 H A 0056 GLY CA
H A 0055 PRO C 3.310 H A 0056 GLY C
H A 0056 GLY C 2.471 H A 0057 GLY CA
H A 0056 GLY C 3.092 H A 0057 GLY C
H A 0057 GLY C 2.512 H A 0058 MET CA
H A 0057 GLY C 3.365 H A 0058 MET C
H A 0057 GLY C 3.020 H A 0058 MET CB
H A 0058 MET C 2.458 H A 0059 CYS CA
H A 0058 MET C 3.359 H A 0059 CYS C
H A 0058 MET C 3.640 H A 0059 CYS CB
H A 0059 CYS C 2.468 C A 0060 THR CA
H A 0059 CYS C 3.225 C A 0060 THR C
H A 0059 CYS C 3.701 C A 0060 THR CB
C A 0060 THR C 2.469 C A 0061 ASP CA
C A 0060 THR C 3.279 C A 0061 ASP C
C A 0060 THR C 3.646 C A 0061 ASP CB
C A 0061 ASP C 2.450 C A 0062 CYS CA
C A 0061 ASP C 3.295 C A 0062 CYS C
C A 0061 ASP C 3.672 C A 0062 CYS CB
C A 0062 CYS C 2.489 H A 0063 THR CA
C A 0062 CYS C 3.348 H A 0063 THR C
C A 0062 CYS C 3.657 H A 0063 THR CB
C A 0062 CYS C 3.791 H A 0067 TYR CD2
C A 0062 CYS CB 3.451 H A 0067 TYR CD2
C A 0062 CYS CB 3.368 H A 0067 TYR CE2
H A 0063 THR C 2.484 H A 0064 ASP CA
H A 0063 THR C 3.000 H A 0064 ASP C
H A 0063 THR C 3.680 H A 0064 ASP CB
H A 0064 ASP C 2.482 H A 0065 GLU CA
H A 0064 ASP C 2.997 H A 0065 GLU C
H A 0064 ASP C 3.753 H A 0065 GLU CB
H A 0064 ASP CA 3.646 H A 0067 TYR CB
H A 0065 GLU C 2.452 H A 0066 ASP CA
H A 0065 GLU C 3.116 H A 0066 ASP C
H A 0065 GLU C 3.726 H A 0066 ASP CB
H A 0066 ASP C 2.477 H A 0067 TYR CA
H A 0066 ASP C 3.029 H A 0067 TYR C
H A 0066 ASP C 3.719 H A 0067 TYR CB
H A 0067 TYR CA 3.794 H A 0068 LYS CA
H A 0067 TYR C 2.436 H A 0068 LYS CA
H A 0067 TYR C 3.081 H A 0068 LYS C
H A 0067 TYR C 3.712 H A 0068 LYS CB
H A 0068 LYS C 2.460 H A 0069 ALA CA
H A 0068 LYS C 2.965 H A 0069 ALA C
H A 0068 LYS C 3.709 H A 0069 ALA CB
H A 0069 ALA C 2.460 H A 0070 ALA CA
H A 0069 ALA C 3.120 H A 0070 ALA C
H A 0069 ALA C 3.722 H A 0070 ALA CB
H A 0069 ALA CA 3.540 H A 0072 GLU CG
H A 0070 ALA C 2.470 H A 0071 ILE CA
H A 0070 ALA C 3.045 H A 0071 ILE C
H A 0070 ALA C 3.735 H A 0071 ILE CB
H A 0071 ILE C 2.467 H A 0072 GLU CA
H A 0071 ILE C 3.244 H A 0072 GLU C
H A 0071 ILE C 3.715 H A 0072 GLU CB
H A 0071 ILE CG2 3.466 C A 0077 ALA C
H A 0072 GLU C 2.440 H A 0073 PHE CA
H A 0072 GLU C 2.962 H A 0073 PHE C
H A 0072 GLU C 3.726 H A 0073 PHE CB
H A 0072 GLU CA 3.648 C A 0076 LYS CA
H A 0072 GLU CB 3.631 C A 0076 LYS CB
H A 0073 PHE C 2.461 H A 0074 MET CA
H A 0073 PHE C 3.173 H A 0074 MET C
H A 0073 PHE C 3.716 H A 0074 MET CB
H A 0074 MET C 2.468 H A 0075 SER CA
H A 0074 MET C 3.742 H A 0075 SER C
H A 0074 MET C 3.150 H A 0075 SER CB
H A 0075 SER C 2.516 C A 0076 LYS CA
H A 0075 SER C 3.052 C A 0076 LYS C
H A 0075 SER C 3.371 C A 0076 LYS CB
H A 0075 SER C 3.414 C A 0076 LYS CG
C A 0076 LYS CA 3.795 C A 0077 ALA CA
C A 0076 LYS C 2.454 C A 0077 ALA CA
C A 0076 LYS C 3.668 C A 0077 ALA C
C A 0076 LYS C 3.264 C A 0077 ALA CB
C A 0077 ALA C 2.480 C A 0078 LYS CA
C A 0077 ALA C 3.679 C A 0078 LYS C
C A 0077 ALA C 3.341 C A 0078 LYS CB
CHARGE_ATTR 2.00 12.00 40
C A -002 ASP OD1 7.934 H A 0009 LYS NZ
C A -002 ASP OD2 5.720 H A 0009 LYS NZ
C A 0030 ASP OD1 7.299 C A 0015 HIS ND1
C A 0030 ASP OD1 8.612 C A 0015 HIS NE2
C A 0030 ASP OD2 6.670 C A 0015 HIS ND1
C A 0030 ASP OD2 8.405 C A 0015 HIS NE2
C A 0030 ASP OD1 9.431 C A 0024 LYS NZ
C A 0030 ASP OD2 7.355 C A 0024 LYS NZ
C A 0030 ASP OD1 11.79 C A 0026 HIS NE2
C A 0030 ASP OD2 10.27 C A 0026 HIS ND1
C A 0030 ASP OD2 9.679 C A 0026 HIS NE2
C A 0030 ASP OD1 5.199 H A 0034 ARG NH1
C A 0030 ASP OD1 6.528 H A 0034 ARG NH2
C A 0030 ASP OD2 7.314 H A 0034 ARG NH1
C A 0030 ASP OD2 8.765 H A 0034 ARG NH2
C A 0030 ASP OD1 4.160 C A 0078 LYS NZ
C A 0030 ASP OD2 3.996 C A 0078 LYS NZ
H A 0032 GLU OE1 11.52 H A 0034 ARG NH1
H A 0032 GLU OE1 11.31 H A 0034 ARG NH2
H A 0032 GLU OE1 11.65 C A 0078 LYS NZ
C A 0040 ASP OD1 9.253 H A 0044 LYS NZ
C A 0040 ASP OD2 8.650 H A 0044 LYS NZ
C A 0040 ASP OD1 10.94 H A 0047 LYS NZ
C A 0040 ASP OD2 9.245 H A 0047 LYS NZ
C A 0040 ASP OD1 3.646 H A 0068 LYS NZ
C A 0040 ASP OD2 2.598 H A 0068 LYS NZ
C A 0040 ASP OD1 11.17 C A 0076 LYS NZ
H A 0064 ASP OD1 7.710 H A 0044 LYS NZ
H A 0064 ASP OD2 8.720 H A 0044 LYS NZ
H A 0064 ASP OD1 4.094 H A 0047 LYS NZ
H A 0064 ASP OD2 3.957 H A 0047 LYS NZ
H A 0064 ASP OD1 7.130 H A 0068 LYS NZ
H A 0064 ASP OD2 8.517 H A 0068 LYS NZ
H A 0065 GLU OE1 9.505 H A 0068 LYS NZ
H A 0065 GLU OE2 10.61 H A 0068 LYS NZ
H A 0066 ASP OD1 11.48 H A 0068 LYS NZ
H A 0072 GLU OE1 6.422 H A 0068 LYS NZ
H A 0072 GLU OE2 7.822 H A 0068 LYS NZ
H A 0072 GLU OE1 7.304 C A 0076 LYS NZ
H A 0072 GLU OE2 8.650 C A 0076 LYS NZ
CHARGE_REPU 2.00 12.00 78
C A -002 ASP OD1 11.22 H A 0002 ASP OD1
C A -002 ASP OD1 10.60 H A 0002 ASP OD2
C A -002 ASP OD2 11.76 H A 0002 ASP OD1
C A -002 ASP OD2 11.25 H A 0002 ASP OD2
C A -002 ASP OD1 11.37 C A 0061 ASP OD2
C A -002 ASP OD2 11.83 C A 0061 ASP OD2
C A -002 ASP OD1 11.52 H A 0066 ASP OD1
C A -002 ASP OD1 9.564 H A 0066 ASP OD2
C A -002 ASP OD2 10.41 H A 0066 ASP OD2
H A 0002 ASP OD1 5.217 H A 0004 GLU OE1
H A 0002 ASP OD1 6.779 H A 0004 GLU OE2
H A 0002 ASP OD2 4.965 H A 0004 GLU OE1
H A 0002 ASP OD2 6.453 H A 0004 GLU OE2
H A 0002 ASP OD1 7.656 H A 0066 ASP OD1
H A 0002 ASP OD1 6.509 H A 0066 ASP OD2
H A 0002 ASP OD2 9.170 H A 0066 ASP OD1
H A 0002 ASP OD2 7.855 H A 0066 ASP OD2
H A 0002 ASP OD1 10.16 H A 0072 GLU OE2
H A 0004 GLU OE1 11.58 H A 0066 ASP OD2
H A 0004 GLU OE1 11.99 H A 0072 GLU OE2
C A 0015 HIS ND1 11.05 C A 0024 LYS NZ
C A 0015 HIS ND1 11.86 C A 0026 HIS ND1
C A 0015 HIS ND1 11.08 C A 0026 HIS NE2
C A 0015 HIS ND1 9.049 H A 0034 ARG NH1
C A 0015 HIS ND1 11.23 H A 0034 ARG NH2
C A 0015 HIS NE2 9.196 H A 0034 ARG NH1
C A 0015 HIS NE2 11.35 H A 0034 ARG NH2
C A 0015 HIS ND1 4.474 C A 0078 LYS NZ
C A 0015 HIS NE2 6.018 C A 0078 LYS NZ
C A 0024 LYS NZ 8.234 C A 0026 HIS ND1
C A 0024 LYS NZ 6.616 C A 0026 HIS NE2
C A 0024 LYS NZ 10.30 C A 0078 LYS NZ
C A 0026 HIS ND1 10.52 C A 0078 LYS NZ
C A 0026 HIS NE2 10.34 C A 0078 LYS NZ
C A 0030 ASP OD1 9.590 H A 0032 GLU OE1
C A 0030 ASP OD1 11.45 H A 0032 GLU OE2
C A 0030 ASP OD2 10.22 H A 0032 GLU OE1
H A 0034 ARG NH1 10.06 C A 0037 LYS NZ
H A 0034 ARG NH2 8.726 C A 0037 LYS NZ
H A 0034 ARG NH1 6.617 C A 0078 LYS NZ
H A 0034 ARG NH2 8.687 C A 0078 LYS NZ
C A 0040 ASP OD1 7.934 H A 0064 ASP OD1
C A 0040 ASP OD1 9.776 H A 0064 ASP OD2
C A 0040 ASP OD2 5.940 H A 0064 ASP OD1
C A 0040 ASP OD2 7.662 H A 0064 ASP OD2
C A 0040 ASP OD2 11.14 H A 0065 GLU OE1
C A 0040 ASP OD2 11.84 H A 0065 GLU OE2
C A 0040 ASP OD1 8.023 H A 0072 GLU OE1
C A 0040 ASP OD1 9.948 H A 0072 GLU OE2
C A 0040 ASP OD2 8.226 H A 0072 GLU OE1
C A 0040 ASP OD2 9.816 H A 0072 GLU OE2
H A 0044 LYS NZ 6.392 H A 0047 LYS NZ
H A 0044 LYS NZ 11.14 H A 0068 LYS NZ
H A 0047 LYS NZ 10.94 H A 0068 LYS NZ
C A 0061 ASP OD2 11.52 H A 0064 ASP OD2
C A 0061 ASP OD2 10.93 H A 0065 GLU OE2
C A 0061 ASP OD1 11.96 H A 0066 ASP OD2
C A 0061 ASP OD2 10.72 H A 0066 ASP OD1
C A 0061 ASP OD2 10.36 H A 0066 ASP OD2
H A 0064 ASP OD1 9.926 H A 0065 GLU OE1
H A 0064 ASP OD1 9.446 H A 0065 GLU OE2
H A 0064 ASP OD2 9.202 H A 0065 GLU OE1
H A 0064 ASP OD2 8.307 H A 0065 GLU OE2
H A 0064 ASP OD1 10.44 H A 0066 ASP OD1
H A 0064 ASP OD1 11.67 H A 0066 ASP OD2
H A 0064 ASP OD2 10.16 H A 0066 ASP OD1
H A 0064 ASP OD2 11.45 H A 0066 ASP OD2
H A 0064 ASP OD1 11.82 H A 0072 GLU OE1
H A 0065 GLU OE1 6.148 H A 0066 ASP OD1
H A 0065 GLU OE1 8.335 H A 0066 ASP OD2
H A 0065 GLU OE2 6.011 H A 0066 ASP OD1
H A 0065 GLU OE2 7.998 H A 0066 ASP OD2
H A 0065 GLU OE1 11.56 H A 0072 GLU OE1
H A 0065 GLU OE1 10.86 H A 0072 GLU OE2
H A 0066 ASP OD1 11.35 H A 0072 GLU OE1
H A 0066 ASP OD1 10.14 H A 0072 GLU OE2
H A 0066 ASP OD2 11.20 H A 0072 GLU OE2
H A 0068 LYS NZ 11.59 C A 0076 LYS NZ
HB_MM 2.00 3.20 128
C A -001 LEU N 2.266 C A -002 ASP O
C A -002 ASP N 2.252 C A -003 ALA O
C A 0001 GLN N 2.237 C A -001 LEU O
H A 0002 ASP N 2.254 C A 0001 GLN O
H A 0003 ALA N 2.249 H A 0002 ASP O
H A 0004 GLU N 2.257 H A 0003 ALA O
H A 0005 ALA N 2.906 H A 0002 ASP O
H A 0005 ALA N 2.236 H A 0004 GLU O
H A 0006 ILE N 2.803 H A 0002 ASP O
H A 0006 ILE N 2.248 H A 0005 ALA O
H A 0007 TYR N 2.905 H A 0003 ALA O
H A 0007 TYR N 2.238 H A 0006 ILE O
H A 0008 ASN N 2.790 H A 0004 GLU O
H A 0008 ASN N 2.246 H A 0007 TYR O
H A 0009 LYS N 2.884 H A 0005 ALA O
H A 0009 LYS N 2.240 H A 0008 ASN O
H A 0010 ALA N 2.787 H A 0006 ILE O
H A 0010 ALA N 2.244 H A 0009 LYS O
C A 0011 CYS N 2.850 H A 0007 TYR O
C A 0011 CYS N 2.238 H A 0010 ALA O
C A 0012 THR N 2.799 H A 0010 ALA O
C A 0012 THR N 2.235 C A 0011 CYS O
C A 0013 VAL N 2.232 C A 0012 THR O
C A 0014 CYS N 2.257 C A 0013 VAL O
C A 0015 HIS N 2.250 C A 0014 CYS O
C A 0016 SER N 2.248 C A 0015 HIS O
C A 0017 MET N 2.256 C A 0016 SER O
H A 0018 GLY N 2.717 C A 0014 CYS O
H A 0018 GLY N 2.249 C A 0017 MET O
H A 0019 VAL N 2.845 C A 0014 CYS O
H A 0019 VAL N 2.246 H A 0018 GLY O
H A 0020 ALA N 2.245 H A 0019 VAL O
H A 0021 GLY N 3.064 H A 0019 VAL O
H A 0021 GLY N 2.248 H A 0020 ALA O
H A 0022 ALA N 2.840 H A 0019 VAL O
H A 0022 ALA N 2.241 H A 0021 GLY O
C A 0023 PRO N 2.248 H A 0022 ALA O
C A 0024 LYS N 2.232 C A 0023 PRO O
C A 0025 SER N 2.274 C A 0024 LYS O
C A 0026 HIS N 2.244 C A 0025 SER O
C A 0027 ASN N 2.240 C A 0026 HIS O
C A 0028 THR N 2.250 C A 0027 ASN O
C A 0029 ALA N 2.230 C A 0028 THR O
C A 0030 ASP N 2.244 C A 0029 ALA O
H A 0031 TRP N 2.249 C A 0030 ASP O
H A 0032 GLU N 2.789 C A 0028 THR O
H A 0032 GLU N 2.247 H A 0031 TRP O
H A 0033 PRO N 2.235 H A 0032 GLU O
H A 0034 ARG N 2.926 H A 0031 TRP O
H A 0034 ARG N 2.852 H A 0032 GLU O
H A 0034 ARG N 2.249 H A 0033 PRO O
H A 0035 LEU N 2.901 H A 0031 TRP O
H A 0035 LEU N 2.257 H A 0034 ARG O
H A 0036 ALA N 3.156 H A 0032 GLU O
H A 0036 ALA N 2.951 H A 0034 ARG O
H A 0036 ALA N 2.243 H A 0035 LEU O
C A 0037 LYS N 2.920 H A 0034 ARG O
C A 0037 LYS N 2.256 H A 0036 ALA O
C A 0038 GLY N 3.197 H A 0034 ARG O
C A 0038 GLY N 2.251 C A 0037 LYS O
C A 0039 VAL N 2.255 C A 0038 GLY O
C A 0040 ASP N 2.242 C A 0039 VAL O
H A 0041 ASN N 2.722 C A 0039 VAL O
H A 0041 ASN N 2.242 C A 0040 ASP O
H A 0042 LEU N 3.028 C A 0039 VAL O
H A 0042 LEU N 2.243 H A 0041 ASN O
H A 0043 VAL N 2.256 H A 0042 LEU O
H A 0044 LYS N 2.904 H A 0042 LEU O
H A 0044 LYS N 2.239 H A 0043 VAL O
H A 0045 SER N 2.939 H A 0042 LEU O
H A 0045 SER N 2.242 H A 0044 LYS O
H A 0046 VAL N 2.873 H A 0042 LEU O
H A 0046 VAL N 3.046 H A 0044 LYS O
H A 0046 VAL N 2.258 H A 0045 SER O
H A 0047 LYS N 2.993 H A 0043 VAL O
H A 0047 LYS N 3.149 H A 0044 LYS O
H A 0047 LYS N 2.248 H A 0046 VAL O
H A 0048 THR N 2.856 H A 0044 LYS O
H A 0048 THR N 3.121 H A 0046 VAL O
H A 0048 THR N 2.245 H A 0047 LYS O
H A 0049 GLY N 2.914 H A 0046 VAL O
H A 0049 GLY N 2.243 H A 0048 THR O
C A 0050 LEU N 2.241 H A 0049 GLY O
C A 0051 ASN N 2.217 C A 0050 LEU O
C A 0052 ALA N 2.250 C A 0051 ASN O
C A 0053 MET N 2.760 C A 0050 LEU O
C A 0053 MET N 2.252 C A 0052 ALA O
H A 0054 PRO N 2.228 C A 0053 MET O
H A 0055 PRO N 2.256 H A 0054 PRO O
H A 0056 GLY N 2.893 H A 0047 LYS O
H A 0056 GLY N 2.251 H A 0055 PRO O
H A 0057 GLY N 2.858 H A 0054 PRO O
H A 0057 GLY N 2.251 H A 0056 GLY O
H A 0058 MET N 2.264 H A 0057 GLY O
H A 0059 CYS N 3.193 H A 0056 GLY O
H A 0059 CYS N 2.241 H A 0058 MET O
C A 0060 THR N 2.253 H A 0059 CYS O
C A 0061 ASP N 2.238 C A 0060 THR O
C A 0062 CYS N 2.886 C A 0060 THR O
C A 0062 CYS N 2.234 C A 0061 ASP O
H A 0063 THR N 2.255 C A 0062 CYS O
H A 0064 ASP N 2.257 H A 0063 THR O
H A 0065 GLU N 2.953 H A 0063 THR O
H A 0065 GLU N 2.246 H A 0064 ASP O
H A 0066 ASP N 2.918 H A 0063 THR O
H A 0066 ASP N 2.251 H A 0065 GLU O
H A 0067 TYR N 2.913 H A 0063 THR O
H A 0067 TYR N 2.246 H A 0066 ASP O
H A 0068 LYS N 2.764 H A 0064 ASP O
H A 0068 LYS N 2.245 H A 0067 TYR O
H A 0069 ALA N 3.059 H A 0065 GLU O
H A 0069 ALA N 2.253 H A 0068 LYS O
H A 0070 ALA N 2.854 H A 0066 ASP O
H A 0070 ALA N 3.098 H A 0068 LYS O
H A 0070 ALA N 2.235 H A 0069 ALA O
H A 0071 ILE N 3.036 H A 0067 TYR O
H A 0071 ILE N 2.973 H A 0068 LYS O
H A 0071 ILE N 2.239 H A 0070 ALA O
H A 0072 GLU N 2.738 H A 0068 LYS O
H A 0072 GLU N 2.242 H A 0071 ILE O
H A 0073 PHE N 2.758 H A 0069 ALA O
H A 0073 PHE N 2.249 H A 0072 GLU O
H A 0074 MET N 2.247 H A 0073 PHE O
H A 0075 SER N 2.243 H A 0074 MET O
C A 0076 LYS N 2.250 H A 0075 SER O
C A 0077 ALA N 3.037 H A 0075 SER O
C A 0077 ALA N 2.252 C A 0076 LYS O
C A 0078 LYS N 2.254 C A 0077 ALA O
HB_MS 2.00 3.20 10
H A 0003 ALA N 2.868 H A 0002 ASP OD1
H A 0004 GLU N 2.692 H A 0002 ASP OD1
H A 0008 ASN O 3.168 C A 0012 THR OG1
C A 0023 PRO O 2.674 C A 0015 HIS ND1
C A 0024 LYS N 2.815 C A 0030 ASP OD2
C A 0024 LYS O 2.819 H A 0031 TRP NE1
C A 0024 LYS O 2.841 C A 0078 LYS NZ
C A 0026 HIS N 3.194 C A 0025 SER OG
H A 0044 LYS O 3.032 H A 0048 THR OG1
H A 0056 GLY O 2.784 H A 0067 TYR OH
HB_SS 2.00 3.20 1
C A 0030 ASP OD2 2.690 C A 0027 ASN ND2
AROMATIC 0.00 8.00 2
C A 0078 LYS 3.811 H A 0031 TRP
C A 0078 LYS 5.620 C A 0015 HIS
SS_BOND 1.50 2.80 1
H A 0059 CYS SG 2.094 C A 0062 CYS SG