Complet list of 1qry con file
Complete list of 1qry.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 391
C A 0001 GLY CA 3.786 C A 0002 SER CA
C A 0001 GLY C 2.422 C A 0002 SER CA
C A 0001 GLY C 3.180 C A 0002 SER C
C A 0001 GLY C 3.652 C A 0002 SER CB
C A 0002 SER C 2.422 C A 0003 HIS CA
C A 0002 SER C 3.443 C A 0003 HIS C
C A 0002 SER C 3.490 C A 0003 HIS CB
C A 0003 HIS C 2.423 C A 0004 MET CA
C A 0003 HIS C 3.550 C A 0004 MET C
C A 0003 HIS C 3.372 C A 0004 MET CB
C A 0003 HIS C 3.286 C A 0004 MET CG
C A 0004 MET C 2.422 C A 0005 SER CA
C A 0004 MET C 3.117 C A 0005 SER C
C A 0004 MET C 3.675 C A 0005 SER CB
C A 0005 SER C 2.424 C A 0006 ASP CA
C A 0005 SER C 3.243 C A 0006 ASP C
C A 0005 SER C 3.628 C A 0006 ASP CB
C A 0006 ASP C 2.421 C A 0007 GLY CA
C A 0006 ASP C 3.136 C A 0007 GLY C
C A 0007 GLY C 2.422 C A 0008 LEU CA
C A 0007 GLY C 3.218 C A 0008 LEU C
C A 0007 GLY C 3.642 C A 0008 LEU CB
C A 0007 GLY C 3.424 C A 0009 PRO CD
C A 0008 LEU CA 3.792 C A 0009 PRO CA
C A 0008 LEU CA 2.917 C A 0009 PRO CD
C A 0008 LEU C 2.391 C A 0009 PRO CA
C A 0008 LEU C 3.068 C A 0009 PRO C
C A 0008 LEU C 3.624 C A 0009 PRO CB
C A 0008 LEU C 3.668 C A 0009 PRO CG
C A 0008 LEU C 2.508 C A 0009 PRO CD
C A 0008 LEU CB 3.394 C A 0009 PRO CD
C A 0009 PRO C 2.420 C A 0010 ASN CA
C A 0009 PRO C 2.955 C A 0010 ASN C
C A 0009 PRO C 3.694 C A 0010 ASN CB
C A 0010 ASN C 2.421 C A 0011 LYS CA
C A 0010 ASN C 3.303 C A 0011 LYS C
C A 0010 ASN C 3.594 C A 0011 LYS CB
C A 0010 ASN C 3.736 C A 0011 LYS CG
C A 0011 LYS C 2.424 C A 0012 LYS CA
C A 0011 LYS C 3.112 C A 0012 LYS C
C A 0011 LYS C 3.676 C A 0012 LYS CB
C A 0012 LYS C 2.423 C A 0013 ARG CA
C A 0012 LYS C 3.323 C A 0013 ARG C
C A 0012 LYS C 3.587 C A 0013 ARG CB
C A 0013 ARG C 2.420 C A 0014 LYS CA
C A 0013 ARG C 3.681 C A 0014 LYS C
C A 0013 ARG C 3.092 C A 0014 LYS CB
C A 0013 ARG C 3.710 C A 0014 LYS CG
C A 0014 LYS C 2.424 C A 0015 ARG CA
C A 0014 LYS C 3.680 C A 0015 ARG C
C A 0014 LYS C 2.886 C A 0015 ARG CB
C A 0014 LYS C 3.684 C A 0015 ARG CG
C A 0015 ARG C 2.422 C A 0016 ARG CA
C A 0015 ARG C 2.843 C A 0016 ARG C
C A 0015 ARG C 3.688 C A 0016 ARG CB
C A 0016 ARG C 2.422 C A 0017 VAL CA
C A 0016 ARG C 3.665 C A 0017 VAL C
C A 0016 ARG C 3.145 C A 0017 VAL CB
C A 0016 ARG C 2.966 C A 0017 VAL CG2
C A 0017 VAL C 2.422 C A 0018 LEU CA
C A 0017 VAL C 3.625 C A 0018 LEU C
C A 0017 VAL C 3.232 C A 0018 LEU CB
C A 0018 LEU C 2.416 C A 0019 PHE CA
C A 0018 LEU C 3.629 C A 0019 PHE C
C A 0018 LEU C 3.244 C A 0019 PHE CB
C A 0018 LEU C 3.096 C A 0019 PHE CG
C A 0018 LEU C 3.251 C A 0019 PHE CD1
C A 0018 LEU C 3.709 C A 0019 PHE CD2
C A 0019 PHE C 2.420 H A 0020 THR CA
C A 0019 PHE C 2.914 H A 0020 THR C
C A 0019 PHE C 3.687 H A 0020 THR CB
H A 0020 THR C 2.416 H A 0021 LYS CA
H A 0020 THR C 2.753 H A 0021 LYS C
H A 0020 THR C 3.689 H A 0021 LYS CB
H A 0020 THR C 3.702 H A 0022 ALA CA
H A 0020 THR CB 3.797 H A 0023 GLN CD
H A 0020 THR CG2 3.644 H A 0023 GLN CD
H A 0021 LYS C 2.435 H A 0022 ALA CA
H A 0021 LYS C 3.079 H A 0022 ALA C
H A 0021 LYS C 3.668 H A 0022 ALA CB
H A 0022 ALA C 2.409 H A 0023 GLN CA
H A 0022 ALA C 2.751 H A 0023 GLN C
H A 0022 ALA C 3.636 H A 0023 GLN CB
H A 0022 ALA C 3.719 H A 0025 TYR CB
H A 0023 GLN CA 3.767 H A 0024 THR CA
H A 0023 GLN C 2.412 H A 0024 THR CA
H A 0023 GLN C 2.779 H A 0024 THR C
H A 0023 GLN C 3.599 H A 0024 THR CB
H A 0023 GLN C 3.509 H A 0027 LEU CB
H A 0023 GLN CA 3.629 C A 0049 ILE CB
H A 0023 GLN CA 3.530 C A 0049 ILE CG1
H A 0023 GLN CB 3.645 C A 0049 ILE CG1
H A 0023 GLN CG 3.702 C A 0049 ILE CB
H A 0023 GLN CG 3.675 C A 0049 ILE CG1
H A 0024 THR C 2.410 H A 0025 TYR CA
H A 0024 THR C 2.977 H A 0025 TYR C
H A 0024 THR C 3.688 H A 0025 TYR CB
H A 0024 THR CA 3.709 H A 0027 LEU CB
H A 0024 THR C 3.715 H A 0028 GLU CG
H A 0024 THR CG2 3.747 H A 0028 GLU CG
H A 0025 TYR C 2.408 H A 0026 GLU CA
H A 0025 TYR C 2.769 H A 0026 GLU C
H A 0025 TYR C 3.683 H A 0026 GLU CB
H A 0025 TYR CD2 3.290 H A 0026 GLU CG
H A 0025 TYR CD2 3.401 H A 0026 GLU CD
H A 0025 TYR CE2 3.187 H A 0026 GLU CG
H A 0025 TYR CE2 2.687 H A 0026 GLU CD
H A 0025 TYR CZ 3.130 H A 0026 GLU CD
H A 0025 TYR CE1 3.506 H A 0029 ARG CG
H A 0025 TYR CE1 3.796 H A 0029 ARG CD
H A 0026 GLU CA 3.774 H A 0027 LEU CA
H A 0026 GLU C 2.411 H A 0027 LEU CA
H A 0026 GLU C 2.863 H A 0027 LEU C
H A 0026 GLU C 3.639 H A 0027 LEU CB
H A 0026 GLU CB 3.295 C A 0049 ILE CG2
H A 0026 GLU CG 3.419 C A 0049 ILE CG2
H A 0027 LEU C 2.418 H A 0028 GLU CA
H A 0027 LEU C 3.137 H A 0028 GLU C
H A 0027 LEU C 3.657 H A 0028 GLU CB
H A 0027 LEU CA 3.535 H A 0045 LEU CD1
H A 0027 LEU CD1 3.729 H A 0045 LEU CD2
H A 0027 LEU CD1 3.494 H A 0056 VAL CG1
H A 0027 LEU CD2 3.587 H A 0059 TRP CG
H A 0027 LEU CD2 3.767 H A 0059 TRP CD1
H A 0027 LEU CD2 3.663 H A 0059 TRP CD2
H A 0028 GLU C 2.428 H A 0029 ARG CA
H A 0028 GLU C 2.977 H A 0029 ARG C
H A 0028 GLU C 3.694 H A 0029 ARG CB
H A 0028 GLU CG 3.641 H A 0059 TRP CZ2
H A 0028 GLU CG 3.653 H A 0059 TRP CH2
H A 0028 GLU CD 3.411 H A 0059 TRP CZ2
H A 0028 GLU CD 3.210 H A 0059 TRP CH2
H A 0028 GLU CD 3.531 H A 0063 HIS CD2
H A 0029 ARG C 2.425 H A 0030 ARG CA
H A 0029 ARG C 2.869 H A 0030 ARG C
H A 0029 ARG C 3.696 H A 0030 ARG CB
H A 0030 ARG C 2.425 H A 0031 PHE CA
H A 0030 ARG C 2.888 H A 0031 PHE C
H A 0030 ARG C 3.691 H A 0031 PHE CB
H A 0030 ARG CZ 3.197 H A 0033 GLN CB
H A 0030 ARG CD 3.412 C A 0037 LEU CD1
H A 0031 PHE C 2.421 H A 0032 ARG CA
H A 0031 PHE C 3.164 H A 0032 ARG C
H A 0031 PHE C 3.658 H A 0032 ARG CB
H A 0031 PHE C 3.736 H A 0034 GLN C
H A 0031 PHE CA 3.731 H A 0060 PHE CE2
H A 0031 PHE CA 3.754 H A 0060 PHE CZ
H A 0031 PHE CG 3.713 H A 0060 PHE CE2
H A 0031 PHE CD2 3.287 H A 0060 PHE CD2
H A 0031 PHE CD2 3.046 H A 0060 PHE CE2
H A 0031 PHE CE2 3.640 H A 0060 PHE CD2
H A 0031 PHE CE2 3.798 H A 0060 PHE CE2
H A 0032 ARG C 2.424 H A 0033 GLN CA
H A 0032 ARG C 2.972 H A 0033 GLN C
H A 0032 ARG C 3.695 H A 0033 GLN CB
H A 0033 GLN C 2.426 H A 0034 GLN CA
H A 0033 GLN C 3.655 H A 0034 GLN C
H A 0033 GLN C 3.175 H A 0034 GLN CB
H A 0034 GLN CA 3.799 C A 0035 ARG CA
H A 0034 GLN C 2.405 C A 0035 ARG CA
H A 0034 GLN C 3.377 C A 0035 ARG C
H A 0034 GLN C 3.469 C A 0035 ARG CB
H A 0034 GLN CD 3.453 C A 0036 TYR CD1
H A 0034 GLN CD 3.338 C A 0036 TYR CE1
H A 0034 GLN CB 3.084 C A 0037 LEU CD1
H A 0034 GLN CG 3.777 C A 0037 LEU CA
H A 0034 GLN CG 3.161 C A 0037 LEU CD1
H A 0034 GLN CG 3.655 H A 0041 GLU CG
H A 0034 GLN CD 3.434 H A 0041 GLU CG
C A 0035 ARG C 2.424 C A 0036 TYR CA
C A 0035 ARG C 3.601 C A 0036 TYR C
C A 0035 ARG C 3.318 C A 0036 TYR CB
C A 0035 ARG C 3.450 C A 0036 TYR CG
C A 0035 ARG C 3.767 C A 0036 TYR CD2
C A 0035 ARG CG 3.466 C A 0036 TYR CD2
C A 0036 TYR C 2.425 C A 0037 LEU CA
C A 0036 TYR C 2.796 C A 0037 LEU C
C A 0036 TYR C 3.646 C A 0037 LEU CB
C A 0037 LEU C 2.425 H A 0038 SER CA
C A 0037 LEU C 3.489 H A 0038 SER C
C A 0037 LEU C 3.439 H A 0038 SER CB
C A 0037 LEU C 3.494 H A 0042 ARG CZ
C A 0037 LEU CB 3.516 H A 0042 ARG CG
C A 0037 LEU CG 3.769 H A 0042 ARG CA
C A 0037 LEU CG 3.727 H A 0042 ARG CG
C A 0037 LEU CD2 3.746 H A 0042 ARG CG
C A 0037 LEU CD2 3.286 H A 0056 VAL CG1
C A 0037 LEU CD2 3.175 H A 0060 PHE CE1
C A 0037 LEU CD2 3.384 H A 0060 PHE CZ
H A 0038 SER CA 3.794 H A 0039 ALA CA
H A 0038 SER C 2.404 H A 0039 ALA CA
H A 0038 SER C 3.185 H A 0039 ALA C
H A 0038 SER C 3.620 H A 0039 ALA CB
H A 0038 SER C 3.800 H A 0040 PRO CD
H A 0038 SER CA 3.247 H A 0042 ARG CZ
H A 0038 SER C 2.982 H A 0042 ARG CZ
H A 0039 ALA CA 3.792 H A 0040 PRO CA
H A 0039 ALA CA 2.752 H A 0040 PRO CD
H A 0039 ALA C 2.405 H A 0040 PRO CA
H A 0039 ALA C 3.305 H A 0040 PRO C
H A 0039 ALA C 3.538 H A 0040 PRO CB
H A 0039 ALA C 3.488 H A 0040 PRO CG
H A 0039 ALA C 2.297 H A 0040 PRO CD
H A 0039 ALA CB 2.944 H A 0040 PRO CD
H A 0040 PRO C 2.419 H A 0041 GLU CA
H A 0040 PRO C 3.096 H A 0041 GLU C
H A 0040 PRO C 3.653 H A 0041 GLU CB
H A 0041 GLU CA 3.757 H A 0042 ARG CA
H A 0041 GLU C 2.389 H A 0042 ARG CA
H A 0041 GLU C 2.831 H A 0042 ARG C
H A 0041 GLU C 3.636 H A 0042 ARG CB
H A 0042 ARG C 2.439 H A 0043 GLU CA
H A 0042 ARG C 2.779 H A 0043 GLU C
H A 0042 ARG C 3.602 H A 0043 GLU CB
H A 0042 ARG CD 3.420 H A 0053 PRO C
H A 0042 ARG CD 3.760 H A 0056 VAL CB
H A 0042 ARG CD 3.464 H A 0057 LYS CB
H A 0042 ARG CZ 3.430 H A 0057 LYS CB
H A 0042 ARG CZ 3.754 H A 0057 LYS CD
H A 0042 ARG CZ 3.412 H A 0057 LYS CE
H A 0043 GLU C 2.431 H A 0044 HIS CA
H A 0043 GLU C 2.728 H A 0044 HIS C
H A 0043 GLU C 3.654 H A 0044 HIS CB
H A 0043 GLU CA 3.649 H A 0046 THR CB
H A 0043 GLU CA 3.549 H A 0046 THR CG2
H A 0043 GLU C 3.756 H A 0046 THR CB
H A 0044 HIS CA 3.793 H A 0045 LEU CA
H A 0044 HIS C 2.411 H A 0045 LEU CA
H A 0044 HIS C 3.007 H A 0045 LEU C
H A 0044 HIS C 3.615 H A 0045 LEU CB
H A 0045 LEU CA 3.782 H A 0046 THR CA
H A 0045 LEU C 2.406 H A 0046 THR CA
H A 0045 LEU C 2.766 H A 0046 THR C
H A 0045 LEU C 3.601 H A 0046 THR CB
H A 0045 LEU C 3.787 H A 0047 SER CA
H A 0045 LEU CG 2.972 C A 0049 ILE CD1
H A 0045 LEU CD1 3.267 C A 0049 ILE CD1
H A 0045 LEU CD2 3.061 C A 0049 ILE CD1
H A 0045 LEU CD2 3.480 C A 0051 LEU CB
H A 0045 LEU CD2 3.764 H A 0056 VAL CB
H A 0045 LEU CD2 3.206 H A 0056 VAL CG1
H A 0045 LEU CD2 3.109 H A 0056 VAL CG2
H A 0046 THR C 2.406 H A 0047 SER CA
H A 0046 THR C 3.078 H A 0047 SER C
H A 0046 THR C 3.660 H A 0047 SER CB
H A 0046 THR C 3.729 C A 0050 ARG CA
H A 0046 THR CG2 3.423 H A 0052 THR C
H A 0046 THR CG2 3.147 H A 0053 PRO CA
H A 0046 THR CG2 3.778 H A 0053 PRO CB
H A 0046 THR CG2 3.690 H A 0053 PRO CG
H A 0046 THR CG2 3.047 H A 0053 PRO CD
H A 0046 THR CG2 3.790 H A 0056 VAL CG2
H A 0047 SER C 2.441 H A 0048 LEU CA
H A 0047 SER C 3.065 H A 0048 LEU C
H A 0047 SER C 3.665 H A 0048 LEU CB
H A 0048 LEU CA 3.798 C A 0049 ILE CA
H A 0048 LEU C 2.430 C A 0049 ILE CA
H A 0048 LEU C 3.343 C A 0049 ILE C
H A 0048 LEU C 3.551 C A 0049 ILE CB
H A 0048 LEU C 3.454 C A 0049 ILE CG2
H A 0048 LEU CB 3.632 C A 0049 ILE CG2
C A 0049 ILE C 2.456 C A 0050 ARG CA
C A 0049 ILE C 2.994 C A 0050 ARG C
C A 0049 ILE C 3.129 C A 0050 ARG CB
C A 0049 ILE C 3.333 C A 0050 ARG CG
C A 0049 ILE CG1 3.548 C A 0051 LEU CD2
C A 0049 ILE CD1 3.563 C A 0051 LEU CB
C A 0050 ARG C 2.374 C A 0051 LEU CA
C A 0050 ARG C 2.735 C A 0051 LEU C
C A 0050 ARG C 3.675 C A 0051 LEU CB
C A 0051 LEU C 2.439 H A 0052 THR CA
C A 0051 LEU C 2.834 H A 0052 THR C
C A 0051 LEU C 3.663 H A 0052 THR CB
C A 0051 LEU C 3.475 H A 0056 VAL CG2
H A 0052 THR CA 3.797 H A 0053 PRO CA
H A 0052 THR CA 2.801 H A 0053 PRO CD
H A 0052 THR C 2.421 H A 0053 PRO CA
H A 0052 THR C 2.765 H A 0053 PRO C
H A 0052 THR C 3.569 H A 0053 PRO CB
H A 0052 THR C 3.569 H A 0053 PRO CG
H A 0052 THR C 2.407 H A 0053 PRO CD
H A 0052 THR CB 3.418 H A 0053 PRO CD
H A 0052 THR C 3.513 H A 0056 VAL CG2
H A 0053 PRO C 2.403 H A 0054 THR CA
H A 0053 PRO C 2.813 H A 0054 THR C
H A 0053 PRO C 3.665 H A 0054 THR CB
H A 0053 PRO CA 3.463 H A 0056 VAL CG2
H A 0053 PRO C 3.508 H A 0056 VAL CG2
H A 0054 THR C 2.415 H A 0055 GLN CA
H A 0054 THR C 2.793 H A 0055 GLN C
H A 0054 THR C 3.687 H A 0055 GLN CB
H A 0054 THR C 3.631 H A 0058 ILE CG1
H A 0054 THR CG2 3.507 H A 0058 ILE CG1
H A 0054 THR CG2 3.485 H A 0058 ILE CD1
H A 0055 GLN C 2.409 H A 0056 VAL CA
H A 0055 GLN C 2.918 H A 0056 VAL C
H A 0055 GLN C 3.710 H A 0056 VAL CB
H A 0055 GLN CA 3.748 H A 0058 ILE CG1
H A 0056 VAL C 2.422 H A 0057 LYS CA
H A 0056 VAL C 2.990 H A 0057 LYS C
H A 0056 VAL C 3.674 H A 0057 LYS CB
H A 0057 LYS C 2.412 H A 0058 ILE CA
H A 0057 LYS C 2.923 H A 0058 ILE C
H A 0057 LYS C 3.692 H A 0058 ILE CB
H A 0058 ILE C 2.421 H A 0059 TRP CA
H A 0058 ILE C 3.058 H A 0059 TRP C
H A 0058 ILE C 3.690 H A 0059 TRP CB
H A 0059 TRP C 2.425 H A 0060 PHE CA
H A 0059 TRP C 2.825 H A 0060 PHE C
H A 0059 TRP C 3.681 H A 0060 PHE CB
H A 0059 TRP CE3 3.370 H A 0060 PHE CA
H A 0059 TRP CE3 3.395 H A 0060 PHE CD1
H A 0059 TRP CE2 3.744 H A 0063 HIS CG
H A 0059 TRP CE2 3.608 H A 0063 HIS CE1
H A 0059 TRP CZ2 3.084 H A 0063 HIS CG
H A 0059 TRP CZ2 3.138 H A 0063 HIS CD2
H A 0059 TRP CZ2 3.130 H A 0063 HIS CE1
H A 0059 TRP CH2 3.690 H A 0063 HIS CB
H A 0059 TRP CH2 3.312 H A 0063 HIS CG
H A 0059 TRP CH2 3.312 H A 0063 HIS CD2
H A 0060 PHE C 2.429 H A 0061 GLN CA
H A 0060 PHE C 2.865 H A 0061 GLN C
H A 0060 PHE C 3.682 H A 0061 GLN CB
H A 0061 GLN C 2.423 H A 0062 ASN CA
H A 0061 GLN C 2.909 H A 0062 ASN C
H A 0061 GLN C 3.689 H A 0062 ASN CB
H A 0062 ASN C 2.421 H A 0063 HIS CA
H A 0062 ASN C 3.120 H A 0063 HIS C
H A 0062 ASN C 3.673 H A 0063 HIS CB
H A 0063 HIS C 2.423 H A 0064 ARG CA
H A 0063 HIS C 2.775 H A 0064 ARG C
H A 0063 HIS C 3.658 H A 0064 ARG CB
H A 0063 HIS CB 3.709 H A 0067 THR CG2
H A 0064 ARG C 2.433 H A 0065 TYR CA
H A 0064 ARG C 3.046 H A 0065 TYR C
H A 0064 ARG C 3.702 H A 0065 TYR CB
H A 0065 TYR C 2.415 H A 0066 LYS CA
H A 0065 TYR C 3.126 H A 0066 LYS C
H A 0065 TYR C 3.667 H A 0066 LYS CB
H A 0065 TYR CA 3.611 H A 0068 LYS CD
H A 0065 TYR C 3.474 H A 0068 LYS CG
H A 0065 TYR C 3.714 H A 0068 LYS CD
H A 0066 LYS C 2.414 H A 0067 THR CA
H A 0066 LYS C 2.791 H A 0067 THR C
H A 0066 LYS C 3.675 H A 0067 THR CB
H A 0066 LYS C 3.798 H A 0068 LYS CA
H A 0066 LYS CA 3.783 H A 0069 ARG CG
H A 0067 THR C 2.425 H A 0068 LYS CA
H A 0067 THR C 3.181 H A 0068 LYS C
H A 0067 THR C 3.645 H A 0068 LYS CB
H A 0067 THR C 3.707 H A 0068 LYS CG
H A 0068 LYS C 2.423 H A 0069 ARG CA
H A 0068 LYS C 3.001 H A 0069 ARG C
H A 0068 LYS C 3.693 H A 0069 ARG CB
H A 0069 ARG C 2.424 H A 0070 ALA CA
H A 0069 ARG C 2.915 H A 0070 ALA C
H A 0069 ARG C 3.695 H A 0070 ALA CB
H A 0070 ALA C 2.423 H A 0071 GLN CA
H A 0070 ALA C 2.916 H A 0071 GLN C
H A 0070 ALA C 3.694 H A 0071 GLN CB
H A 0070 ALA C 3.374 H A 0074 LYS CD
H A 0071 GLN C 2.422 H A 0072 ASN CA
H A 0071 GLN C 2.991 H A 0072 ASN C
H A 0071 GLN C 3.696 H A 0072 ASN CB
H A 0072 ASN C 2.418 H A 0073 GLU CA
H A 0072 ASN C 3.139 H A 0073 GLU C
H A 0072 ASN C 3.650 H A 0073 GLU CB
H A 0073 GLU CA 3.778 H A 0074 LYS CA
H A 0073 GLU C 2.405 H A 0074 LYS CA
H A 0073 GLU C 2.771 H A 0074 LYS C
H A 0073 GLU C 3.110 H A 0074 LYS CB
H A 0074 LYS C 2.422 C A 0075 GLY CA
H A 0074 LYS C 2.908 C A 0075 GLY C
C A 0075 GLY C 2.422 C A 0076 TYR CA
C A 0075 GLY C 3.201 C A 0076 TYR C
C A 0075 GLY C 3.645 C A 0076 TYR CB
C A 0076 TYR C 2.421 C A 0077 GLU CA
C A 0076 TYR C 3.031 C A 0077 GLU C
C A 0076 TYR C 2.892 C A 0077 GLU CB
C A 0077 GLU C 2.422 C A 0078 GLY CA
C A 0077 GLU C 3.552 C A 0078 GLY C
C A 0078 GLY C 2.421 C A 0079 HIS CA
C A 0078 GLY C 3.688 C A 0079 HIS C
C A 0078 GLY C 3.024 C A 0079 HIS CB
C A 0079 HIS CA 3.783 C A 0080 PRO CA
C A 0079 HIS CA 2.754 C A 0080 PRO CD
C A 0079 HIS C 2.403 C A 0080 PRO CA
C A 0079 HIS C 3.289 C A 0080 PRO C
C A 0079 HIS C 3.541 C A 0080 PRO CB
C A 0079 HIS C 3.524 C A 0080 PRO CG
C A 0079 HIS C 2.364 C A 0080 PRO CD
CHARGE_ATTR 2.00 12.00 72
C A 0006 ASP OD1 11.90 C A 0003 HIS ND1
C A 0006 ASP OD1 11.81 C A 0050 ARG NH1
C A 0006 ASP OD1 10.33 C A 0050 ARG NH2
C A 0006 ASP OD2 11.86 C A 0050 ARG NH1
C A 0006 ASP OD2 10.50 C A 0050 ARG NH2
H A 0026 GLU OE1 5.961 H A 0029 ARG NH1
H A 0026 GLU OE1 5.261 H A 0029 ARG NH2
H A 0026 GLU OE2 7.460 H A 0029 ARG NH1
H A 0026 GLU OE2 6.422 H A 0029 ARG NH2
H A 0026 GLU OE1 11.06 H A 0030 ARG NH1
H A 0026 GLU OE1 9.620 H A 0030 ARG NH2
H A 0026 GLU OE2 10.62 H A 0030 ARG NH2
H A 0026 GLU OE1 9.369 H A 0032 ARG NH1
H A 0026 GLU OE1 8.474 H A 0032 ARG NH2
H A 0026 GLU OE2 11.37 H A 0032 ARG NH1
H A 0026 GLU OE2 10.53 H A 0032 ARG NH2
H A 0028 GLU OE1 11.15 H A 0029 ARG NH1
H A 0028 GLU OE1 11.78 H A 0029 ARG NH2
H A 0028 GLU OE1 8.826 H A 0032 ARG NH1
H A 0028 GLU OE1 7.333 H A 0032 ARG NH2
H A 0028 GLU OE2 10.30 H A 0032 ARG NH1
H A 0028 GLU OE2 8.535 H A 0032 ARG NH2
H A 0028 GLU OE1 5.614 H A 0063 HIS ND1
H A 0028 GLU OE1 4.221 H A 0063 HIS NE2
H A 0028 GLU OE2 4.354 H A 0063 HIS ND1
H A 0028 GLU OE2 2.469 H A 0063 HIS NE2
H A 0028 GLU OE1 11.23 H A 0064 ARG NH1
H A 0028 GLU OE1 7.221 H A 0066 LYS NZ
H A 0028 GLU OE2 5.341 H A 0066 LYS NZ
H A 0028 GLU OE1 8.346 H A 0074 LYS NZ
H A 0028 GLU OE2 8.459 H A 0074 LYS NZ
H A 0041 GLU OE1 6.629 H A 0030 ARG NH1
H A 0041 GLU OE1 8.513 H A 0030 ARG NH2
H A 0041 GLU OE2 5.434 H A 0030 ARG NH1
H A 0041 GLU OE2 6.983 H A 0030 ARG NH2
H A 0041 GLU OE1 7.758 H A 0042 ARG NH1
H A 0041 GLU OE1 7.996 H A 0042 ARG NH2
H A 0041 GLU OE2 9.273 H A 0042 ARG NH1
H A 0041 GLU OE2 9.810 H A 0042 ARG NH2
H A 0041 GLU OE1 6.725 H A 0044 HIS ND1
H A 0041 GLU OE1 7.233 H A 0044 HIS NE2
H A 0041 GLU OE2 5.101 H A 0044 HIS ND1
H A 0041 GLU OE2 5.813 H A 0044 HIS NE2
H A 0041 GLU OE1 11.28 H A 0057 LYS NZ
H A 0043 GLU OE1 11.79 H A 0030 ARG NH1
H A 0043 GLU OE1 10.84 H A 0042 ARG NH1
H A 0043 GLU OE1 11.07 H A 0042 ARG NH2
H A 0043 GLU OE2 10.56 H A 0042 ARG NH1
H A 0043 GLU OE2 10.44 H A 0042 ARG NH2
H A 0043 GLU OE1 8.414 H A 0044 HIS ND1
H A 0043 GLU OE1 7.749 H A 0044 HIS NE2
H A 0043 GLU OE2 10.17 H A 0044 HIS ND1
H A 0043 GLU OE2 9.470 H A 0044 HIS NE2
H A 0043 GLU OE1 10.18 C A 0050 ARG NH1
H A 0043 GLU OE1 11.59 C A 0050 ARG NH2
H A 0043 GLU OE2 10.39 C A 0050 ARG NH1
H A 0043 GLU OE2 11.54 C A 0050 ARG NH2
H A 0043 GLU OE2 11.68 H A 0057 LYS NZ
H A 0073 GLU OE1 11.89 H A 0063 HIS NE2
H A 0073 GLU OE1 9.289 H A 0066 LYS NZ
H A 0073 GLU OE2 9.548 H A 0066 LYS NZ
H A 0073 GLU OE1 10.24 H A 0069 ARG NH1
H A 0073 GLU OE1 10.60 H A 0069 ARG NH2
H A 0073 GLU OE2 8.580 H A 0069 ARG NH1
H A 0073 GLU OE2 9.261 H A 0069 ARG NH2
H A 0073 GLU OE1 8.434 H A 0074 LYS NZ
H A 0073 GLU OE2 9.799 H A 0074 LYS NZ
C A 0077 GLU OE2 11.78 H A 0069 ARG NH1
C A 0077 GLU OE2 11.82 H A 0069 ARG NH2
C A 0077 GLU OE1 9.324 H A 0074 LYS NZ
C A 0077 GLU OE2 10.82 H A 0074 LYS NZ
C A 0077 GLU OE2 11.73 C A 0079 HIS ND1
CHARGE_REPU 2.00 12.00 71
C A 0011 LYS NZ 10.46 C A 0014 LYS NZ
C A 0011 LYS NZ 7.709 C A 0015 ARG NH1
C A 0011 LYS NZ 5.984 C A 0015 ARG NH2
C A 0011 LYS NZ 10.03 C A 0016 ARG NH1
C A 0011 LYS NZ 9.658 C A 0016 ARG NH2
C A 0012 LYS NZ 8.684 C A 0013 ARG NH1
C A 0012 LYS NZ 10.71 C A 0013 ARG NH2
C A 0012 LYS NZ 8.213 C A 0014 LYS NZ
C A 0014 LYS NZ 8.517 C A 0015 ARG NH1
C A 0014 LYS NZ 9.653 C A 0015 ARG NH2
C A 0014 LYS NZ 7.342 C A 0016 ARG NH1
C A 0014 LYS NZ 8.546 C A 0016 ARG NH2
C A 0015 ARG NH1 2.910 C A 0016 ARG NH1
C A 0015 ARG NH1 2.708 C A 0016 ARG NH2
C A 0015 ARG NH2 5.135 C A 0016 ARG NH1
C A 0015 ARG NH2 4.421 C A 0016 ARG NH2
H A 0026 GLU OE1 10.26 H A 0028 GLU OE1
H A 0026 GLU OE1 11.23 H A 0028 GLU OE2
H A 0029 ARG NH1 10.15 H A 0030 ARG NH1
H A 0029 ARG NH1 8.370 H A 0030 ARG NH2
H A 0029 ARG NH2 8.850 H A 0030 ARG NH1
H A 0029 ARG NH2 6.871 H A 0030 ARG NH2
H A 0029 ARG NH1 5.368 H A 0032 ARG NH1
H A 0029 ARG NH1 6.005 H A 0032 ARG NH2
H A 0029 ARG NH2 7.330 H A 0032 ARG NH1
H A 0029 ARG NH2 7.827 H A 0032 ARG NH2
H A 0029 ARG NH2 11.01 H A 0044 HIS ND1
H A 0030 ARG NH1 12.00 H A 0032 ARG NH1
H A 0030 ARG NH2 11.02 H A 0032 ARG NH1
H A 0030 ARG NH2 11.73 H A 0032 ARG NH2
H A 0030 ARG NH1 9.707 H A 0042 ARG NH1
H A 0030 ARG NH1 11.30 H A 0042 ARG NH2
H A 0030 ARG NH2 11.68 H A 0042 ARG NH1
H A 0030 ARG NH1 5.418 H A 0044 HIS ND1
H A 0030 ARG NH1 7.534 H A 0044 HIS NE2
H A 0030 ARG NH2 5.405 H A 0044 HIS ND1
H A 0030 ARG NH2 7.605 H A 0044 HIS NE2
H A 0032 ARG NH2 10.93 H A 0063 HIS NE2
H A 0032 ARG NH1 9.926 H A 0074 LYS NZ
H A 0032 ARG NH2 9.197 H A 0074 LYS NZ
C A 0035 ARG NH1 5.637 H A 0064 ARG NH1
C A 0035 ARG NH1 5.739 H A 0064 ARG NH2
C A 0035 ARG NH2 4.632 H A 0064 ARG NH1
C A 0035 ARG NH2 3.942 H A 0064 ARG NH2
C A 0035 ARG NH1 9.424 H A 0068 LYS NZ
C A 0035 ARG NH2 7.916 H A 0068 LYS NZ
H A 0041 GLU OE1 10.93 H A 0043 GLU OE1
H A 0041 GLU OE1 11.60 H A 0043 GLU OE2
H A 0041 GLU OE2 10.93 H A 0043 GLU OE1
H A 0041 GLU OE2 11.97 H A 0043 GLU OE2
H A 0042 ARG NH1 11.35 H A 0044 HIS ND1
H A 0042 ARG NH1 4.930 H A 0057 LYS NZ
H A 0042 ARG NH2 3.384 H A 0057 LYS NZ
H A 0063 HIS ND1 11.08 H A 0064 ARG NH1
H A 0063 HIS NE2 11.68 H A 0064 ARG NH1
H A 0063 HIS ND1 4.132 H A 0066 LYS NZ
H A 0063 HIS NE2 3.389 H A 0066 LYS NZ
H A 0063 HIS ND1 10.72 H A 0074 LYS NZ
H A 0063 HIS NE2 9.152 H A 0074 LYS NZ
H A 0064 ARG NH1 4.957 H A 0068 LYS NZ
H A 0064 ARG NH2 4.749 H A 0068 LYS NZ
H A 0064 ARG NH1 11.04 H A 0069 ARG NH2
H A 0064 ARG NH2 11.77 H A 0069 ARG NH2
H A 0064 ARG NH1 11.40 H A 0074 LYS NZ
H A 0066 LYS NZ 9.126 H A 0074 LYS NZ
H A 0068 LYS NZ 8.764 H A 0069 ARG NH1
H A 0068 LYS NZ 7.438 H A 0069 ARG NH2
H A 0073 GLU OE1 4.086 C A 0077 GLU OE1
H A 0073 GLU OE1 4.692 C A 0077 GLU OE2
H A 0073 GLU OE2 5.452 C A 0077 GLU OE1
H A 0073 GLU OE2 5.204 C A 0077 GLU OE2
HB_MM 2.00 3.20 147
C A 0002 SER N 2.196 C A 0001 GLY O
C A 0003 HIS N 3.132 C A 0001 GLY O
C A 0003 HIS N 2.197 C A 0002 SER O
C A 0004 MET N 2.198 C A 0003 HIS O
C A 0005 SER N 2.197 C A 0004 MET O
C A 0006 ASP N 2.198 C A 0005 SER O
C A 0007 GLY N 2.197 C A 0006 ASP O
C A 0008 LEU N 3.008 C A 0006 ASP O
C A 0008 LEU N 2.198 C A 0007 GLY O
C A 0009 PRO N 2.224 C A 0008 LEU O
C A 0010 ASN N 2.196 C A 0009 PRO O
C A 0011 LYS N 2.757 C A 0009 PRO O
C A 0011 LYS N 2.196 C A 0010 ASN O
C A 0012 LYS N 2.196 C A 0011 LYS O
C A 0013 ARG N 2.197 C A 0012 LYS O
C A 0014 LYS N 2.195 C A 0013 ARG O
C A 0015 ARG N 2.202 C A 0014 LYS O
C A 0016 ARG N 2.197 C A 0015 ARG O
C A 0017 VAL N 2.196 C A 0016 ARG O
C A 0018 LEU N 2.196 C A 0017 VAL O
C A 0019 PHE N 2.195 C A 0018 LEU O
H A 0020 THR N 2.199 C A 0019 PHE O
H A 0021 LYS N 3.148 C A 0019 PHE O
H A 0021 LYS N 2.198 H A 0020 THR O
H A 0022 ALA N 2.234 H A 0020 THR O
H A 0022 ALA N 2.205 H A 0021 LYS O
H A 0023 GLN N 2.703 H A 0020 THR O
H A 0023 GLN N 2.188 H A 0022 ALA O
H A 0024 THR N 2.199 H A 0023 GLN O
H A 0025 TYR N 3.080 H A 0021 LYS O
H A 0025 TYR N 2.561 H A 0022 ALA O
H A 0025 TYR N 2.434 H A 0023 GLN O
H A 0025 TYR N 2.196 H A 0024 THR O
H A 0026 GLU N 2.960 H A 0022 ALA O
H A 0026 GLU N 2.896 H A 0023 GLN O
H A 0026 GLU N 2.190 H A 0025 TYR O
H A 0027 LEU N 2.615 H A 0023 GLN O
H A 0027 LEU N 2.996 H A 0025 TYR O
H A 0027 LEU N 2.205 H A 0026 GLU O
H A 0028 GLU N 2.543 H A 0024 THR O
H A 0028 GLU N 2.424 H A 0025 TYR O
H A 0028 GLU N 2.739 H A 0026 GLU O
H A 0028 GLU N 2.199 H A 0027 LEU O
H A 0029 ARG N 2.662 H A 0025 TYR O
H A 0029 ARG N 2.500 H A 0026 GLU O
H A 0029 ARG N 2.202 H A 0028 GLU O
H A 0030 ARG N 2.858 H A 0026 GLU O
H A 0030 ARG N 2.199 H A 0029 ARG O
H A 0031 PHE N 3.164 H A 0028 GLU O
H A 0031 PHE N 3.038 H A 0029 ARG O
H A 0031 PHE N 2.200 H A 0030 ARG O
H A 0032 ARG N 2.604 H A 0029 ARG O
H A 0032 ARG N 2.621 H A 0030 ARG O
H A 0032 ARG N 2.196 H A 0031 PHE O
H A 0033 GLN N 3.143 H A 0030 ARG O
H A 0033 GLN N 2.197 H A 0032 ARG O
H A 0034 GLN N 2.738 H A 0030 ARG O
H A 0034 GLN N 2.711 H A 0032 ARG O
H A 0034 GLN N 2.196 H A 0033 GLN O
C A 0035 ARG N 2.190 H A 0034 GLN O
C A 0036 TYR N 2.196 C A 0035 ARG O
C A 0037 LEU N 2.194 C A 0036 TYR O
H A 0038 SER N 3.182 C A 0036 TYR O
H A 0038 SER N 2.200 C A 0037 LEU O
H A 0039 ALA N 2.174 H A 0038 SER O
H A 0040 PRO N 2.230 H A 0039 ALA O
H A 0041 GLU N 2.196 H A 0040 PRO O
H A 0042 ARG N 2.190 H A 0041 GLU O
H A 0043 GLU N 2.205 H A 0042 ARG O
H A 0044 HIS N 2.752 H A 0042 ARG O
H A 0044 HIS N 2.203 H A 0043 GLU O
H A 0045 LEU N 2.409 H A 0042 ARG O
H A 0045 LEU N 2.455 H A 0043 GLU O
H A 0045 LEU N 2.198 H A 0044 HIS O
H A 0046 THR N 2.380 H A 0043 GLU O
H A 0046 THR N 2.185 H A 0045 LEU O
H A 0047 SER N 3.024 H A 0043 GLU O
H A 0047 SER N 2.237 H A 0045 LEU O
H A 0047 SER N 2.181 H A 0046 THR O
H A 0048 LEU N 2.155 H A 0045 LEU O
H A 0048 LEU N 2.207 H A 0047 SER O
C A 0049 ILE N 2.212 H A 0048 LEU O
C A 0050 ARG N 2.205 C A 0049 ILE O
C A 0051 LEU N 2.365 C A 0049 ILE O
C A 0051 LEU N 2.174 C A 0050 ARG O
H A 0052 THR N 2.235 C A 0050 ARG O
H A 0052 THR N 2.194 C A 0051 LEU O
H A 0053 PRO N 3.077 C A 0051 LEU O
H A 0053 PRO N 2.236 H A 0052 THR O
H A 0054 THR N 3.026 H A 0052 THR O
H A 0054 THR N 2.191 H A 0053 PRO O
H A 0055 GLN N 2.615 H A 0052 THR O
H A 0055 GLN N 3.037 H A 0053 PRO O
H A 0055 GLN N 2.196 H A 0054 THR O
H A 0056 VAL N 2.759 H A 0052 THR O
H A 0056 VAL N 2.464 H A 0053 PRO O
H A 0056 VAL N 2.641 H A 0054 THR O
H A 0056 VAL N 2.198 H A 0055 GLN O
H A 0057 LYS N 2.563 H A 0054 THR O
H A 0057 LYS N 2.193 H A 0056 VAL O
H A 0058 ILE N 2.752 H A 0054 THR O
H A 0058 ILE N 2.194 H A 0057 LYS O
H A 0059 TRP N 2.967 H A 0055 GLN O
H A 0059 TRP N 3.049 H A 0056 VAL O
H A 0059 TRP N 3.025 H A 0057 LYS O
H A 0059 TRP N 2.197 H A 0058 ILE O
H A 0060 PHE N 3.145 H A 0056 VAL O
H A 0060 PHE N 3.081 H A 0057 LYS O
H A 0060 PHE N 2.199 H A 0059 TRP O
H A 0061 GLN N 3.198 H A 0057 LYS O
H A 0061 GLN N 2.889 H A 0059 TRP O
H A 0061 GLN N 2.200 H A 0060 PHE O
H A 0062 ASN N 2.820 H A 0059 TRP O
H A 0062 ASN N 3.143 H A 0060 PHE O
H A 0062 ASN N 2.196 H A 0061 GLN O
H A 0063 HIS N 2.810 H A 0060 PHE O
H A 0063 HIS N 3.119 H A 0061 GLN O
H A 0063 HIS N 2.194 H A 0062 ASN O
H A 0064 ARG N 2.336 H A 0060 PHE O
H A 0064 ARG N 2.198 H A 0063 HIS O
H A 0065 TYR N 2.748 H A 0063 HIS O
H A 0065 TYR N 2.197 H A 0064 ARG O
H A 0066 LYS N 2.549 H A 0063 HIS O
H A 0066 LYS N 2.192 H A 0065 TYR O
H A 0067 THR N 2.274 H A 0063 HIS O
H A 0067 THR N 2.193 H A 0066 LYS O
H A 0068 LYS N 2.258 H A 0066 LYS O
H A 0068 LYS N 2.200 H A 0067 THR O
H A 0069 ARG N 2.334 H A 0066 LYS O
H A 0069 ARG N 2.199 H A 0068 LYS O
H A 0070 ALA N 3.077 H A 0066 LYS O
H A 0070 ALA N 2.199 H A 0069 ARG O
H A 0071 GLN N 2.197 H A 0070 ALA O
H A 0072 ASN N 2.966 H A 0069 ARG O
H A 0072 ASN N 3.085 H A 0070 ALA O
H A 0072 ASN N 2.197 H A 0071 GLN O
H A 0073 GLU N 2.901 H A 0069 ARG O
H A 0073 GLU N 2.795 H A 0070 ALA O
H A 0073 GLU N 2.196 H A 0072 ASN O
H A 0074 LYS N 2.735 H A 0070 ALA O
H A 0074 LYS N 2.198 H A 0073 GLU O
C A 0075 GLY N 2.196 H A 0074 LYS O
C A 0076 TYR N 2.197 C A 0075 GLY O
C A 0077 GLU N 2.196 C A 0076 TYR O
C A 0078 GLY N 2.197 C A 0077 GLU O
C A 0079 HIS N 2.196 C A 0078 GLY O
C A 0080 PRO N 2.227 C A 0079 HIS O
HB_MS 2.00 3.20 13
H A 0020 THR N 2.562 H A 0023 GLN OE1
H A 0023 GLN N 2.578 H A 0020 THR OG1
C A 0036 TYR O 3.100 H A 0038 SER OG
C A 0037 LEU O 2.389 H A 0042 ARG NH1
H A 0038 SER O 3.042 H A 0042 ARG NH1
H A 0038 SER O 2.780 H A 0042 ARG NH2
H A 0043 GLU O 2.152 H A 0046 THR OG1
H A 0044 HIS O 3.034 H A 0047 SER OG
H A 0047 SER N 3.166 H A 0046 THR OG1
H A 0048 LEU N 2.764 H A 0047 SER OG
H A 0063 HIS O 2.273 H A 0067 THR OG1
H A 0064 ARG N 3.110 H A 0067 THR OG1
H A 0064 ARG O 2.719 H A 0067 THR OG1
HB_SS 2.00 3.20 2
H A 0026 GLU OE1 2.700 H A 0025 TYR OH
H A 0043 GLU OE1 2.212 H A 0046 THR OG1
AROMATIC 0.00 8.00 10
H A 0031 PHE 5.181 H A 0060 PHE
H A 0042 ARG 6.229 H A 0060 PHE
H A 0059 TRP 5.166 H A 0060 PHE
H A 0064 ARG 6.190 H A 0031 PHE
H A 0066 LYS 3.887 H A 0063 HIS
H A 0029 ARG 7.001 H A 0025 TYR
H A 0032 ARG 7.462 H A 0025 TYR
H A 0069 ARG 6.527 H A 0065 TYR
C A 0035 ARG 7.419 C A 0036 TYR
H A 0066 LYS 7.572 H A 0059 TRP