Complet list of 1qkf con file
Complete list of 1qkf.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 422
C A 0008 GLY C 2.436 C A 0009 VAL CA
C A 0008 GLY C 3.569 C A 0009 VAL C
C A 0008 GLY C 3.336 C A 0009 VAL CB
C A 0008 GLY C 3.774 C A 0037 ARG CZ
C A 0009 VAL C 2.436 C A 0010 PHE CA
C A 0009 VAL C 3.566 C A 0010 PHE C
C A 0009 VAL C 3.321 C A 0010 PHE CB
C A 0010 PHE C 2.427 C A 0011 VAL CA
C A 0010 PHE C 3.370 C A 0011 VAL C
C A 0010 PHE C 3.508 C A 0011 VAL CB
C A 0010 PHE CD1 3.747 C A 0011 VAL C
C A 0010 PHE CE1 3.528 C A 0011 VAL C
C A 0010 PHE CZ 3.689 C A 0011 VAL C
C A 0010 PHE CE1 3.637 C A 0012 ASP CA
C A 0010 PHE CZ 3.145 C A 0012 ASP CA
C A 0010 PHE CE2 3.174 C A 0035 SER CB
C A 0010 PHE CZ 3.339 C A 0035 SER CB
C A 0010 PHE CD2 3.562 C A 0037 ARG C
C A 0011 VAL C 2.428 C A 0012 ASP CA
C A 0011 VAL C 2.926 C A 0012 ASP C
C A 0011 VAL C 3.651 C A 0012 ASP CB
C A 0011 VAL CG2 3.685 H A 0016 LEU CD1
C A 0011 VAL CG2 3.543 C A 0041 VAL CG1
C A 0011 VAL CG2 3.291 C A 0041 VAL CG2
C A 0012 ASP C 2.431 H A 0013 ASP CA
C A 0012 ASP C 3.005 H A 0013 ASP C
C A 0012 ASP C 3.647 H A 0013 ASP CB
C A 0012 ASP CG 3.708 H A 0014 HIS CB
C A 0012 ASP CB 3.182 C A 0033 THR CG2
C A 0012 ASP CG 3.064 C A 0033 THR CG2
H A 0013 ASP C 2.433 H A 0014 HIS CA
H A 0013 ASP C 3.036 H A 0014 HIS C
H A 0013 ASP C 3.642 H A 0014 HIS CB
H A 0014 HIS C 2.436 H A 0015 LEU CA
H A 0014 HIS C 3.131 H A 0015 LEU C
H A 0014 HIS C 3.628 H A 0015 LEU CB
H A 0015 LEU C 2.438 H A 0016 LEU CA
H A 0015 LEU C 3.016 H A 0016 LEU C
H A 0015 LEU C 3.654 H A 0016 LEU CB
H A 0015 LEU CG 3.540 H A 0016 LEU CD1
H A 0015 LEU CA 3.298 E A 0031 ILE CG2
H A 0015 LEU C 3.607 E A 0031 ILE CG2
H A 0015 LEU CB 3.632 E A 0031 ILE CG2
H A 0015 LEU CD1 3.604 E A 0031 ILE CG2
H A 0015 LEU CG 3.628 H A 0044 MET CE
H A 0015 LEU CD1 3.022 H A 0044 MET CE
H A 0015 LEU CD1 3.445 E A 0049 ILE CG1
H A 0015 LEU CD1 3.291 E A 0049 ILE CG2
H A 0015 LEU CD2 3.600 E A 0049 ILE CG2
H A 0016 LEU C 2.441 H A 0017 GLU CA
H A 0016 LEU C 2.971 H A 0017 GLU C
H A 0016 LEU C 3.668 H A 0017 GLU CB
H A 0016 LEU CA 3.420 H A 0019 VAL CG1
H A 0016 LEU C 3.710 H A 0019 VAL CG1
H A 0016 LEU C 3.748 H A 0020 LEU CD2
H A 0016 LEU CD1 3.491 C A 0041 VAL CG2
H A 0016 LEU CG 3.514 H A 0044 MET CE
H A 0016 LEU CD1 3.491 H A 0044 MET CE
H A 0017 GLU C 2.437 H A 0018 LYS CA
H A 0017 GLU C 3.355 H A 0018 LYS C
H A 0017 GLU C 3.537 H A 0018 LYS CB
H A 0017 GLU CG 3.759 H A 0018 LYS CG
H A 0017 GLU CA 3.315 H A 0020 LEU CD2
H A 0017 GLU C 3.632 H A 0020 LEU CD2
H A 0018 LYS C 2.437 H A 0019 VAL CA
H A 0018 LYS C 3.131 H A 0019 VAL C
H A 0018 LYS C 3.641 H A 0019 VAL CB
H A 0018 LYS CB 3.677 E A 0031 ILE CG2
H A 0019 VAL C 2.428 H A 0020 LEU CA
H A 0019 VAL C 2.948 H A 0020 LEU C
H A 0019 VAL C 3.673 H A 0020 LEU CB
H A 0019 VAL CB 3.717 E A 0031 ILE CD1
H A 0019 VAL CG2 3.343 E A 0031 ILE CD1
H A 0019 VAL CG1 3.584 H A 0043 GLU CB
H A 0019 VAL CG1 3.669 H A 0043 GLU CD
H A 0019 VAL CB 3.664 H A 0044 MET CE
H A 0019 VAL CG1 3.302 H A 0044 MET CE
H A 0019 VAL CG2 3.766 H A 0044 MET CE
H A 0019 VAL CG2 3.665 E A 0047 HIS CG
H A 0019 VAL CG2 3.584 E A 0047 HIS CD2
H A 0020 LEU C 2.423 H A 0021 GLU CA
H A 0020 LEU C 3.040 H A 0021 GLU C
H A 0020 LEU C 3.643 H A 0021 GLU CB
H A 0020 LEU CA 3.758 H A 0043 GLU CD
H A 0021 GLU C 2.442 H A 0022 LEU CA
H A 0021 GLU C 3.122 H A 0022 LEU C
H A 0021 GLU C 3.643 H A 0022 LEU CB
H A 0021 GLU C 3.730 H A 0022 LEU CD2
H A 0021 GLU C 3.716 H A 0025 LYS CE
H A 0021 GLU CB 3.751 H A 0025 LYS CE
H A 0021 GLU CG 3.662 H A 0025 LYS CE
H A 0022 LEU C 2.435 H A 0023 ASN CA
H A 0022 LEU C 3.186 H A 0023 ASN C
H A 0022 LEU C 3.620 H A 0023 ASN CB
H A 0022 LEU CD2 3.737 C A 0027 GLU CB
H A 0022 LEU CD1 3.575 C A 0029 ARG CB
H A 0022 LEU CB 3.244 E A 0047 HIS CE1
H A 0023 ASN C 2.437 H A 0024 ALA CA
H A 0023 ASN C 3.210 H A 0024 ALA C
H A 0023 ASN C 3.605 H A 0024 ALA CB
H A 0024 ALA C 2.432 H A 0025 LYS CA
H A 0024 ALA C 3.219 H A 0025 LYS C
H A 0024 ALA C 3.610 H A 0025 LYS CB
H A 0024 ALA C 3.784 H A 0025 LYS CG
H A 0025 LYS C 2.433 C A 0026 GLY CA
H A 0025 LYS C 3.278 C A 0026 GLY C
C A 0026 GLY C 2.435 C A 0027 GLU CA
C A 0026 GLY C 3.152 C A 0027 GLU C
C A 0026 GLY C 3.637 C A 0027 GLU CB
C A 0027 GLU C 2.434 C A 0028 LYS CA
C A 0027 GLU C 3.335 C A 0028 LYS C
C A 0027 GLU C 3.541 C A 0028 LYS CB
C A 0028 LYS C 2.435 C A 0029 ARG CA
C A 0028 LYS C 3.417 C A 0029 ARG C
C A 0028 LYS C 3.487 C A 0029 ARG CB
C A 0029 ARG C 2.430 E A 0030 LEU CA
C A 0029 ARG C 3.495 E A 0030 LEU C
C A 0029 ARG C 3.418 E A 0030 LEU CB
E A 0030 LEU C 2.444 E A 0031 ILE CA
E A 0030 LEU C 3.520 E A 0031 ILE C
E A 0030 LEU C 3.392 E A 0031 ILE CB
E A 0030 LEU C 3.357 E A 0031 ILE CG1
E A 0030 LEU CD1 3.626 E A 0032 LYS CD
E A 0030 LEU CD1 3.508 E A 0032 LYS CE
E A 0030 LEU CA 3.777 E A 0048 THR C
E A 0031 ILE C 2.435 E A 0032 LYS CA
E A 0031 ILE C 3.172 E A 0032 LYS C
E A 0031 ILE C 3.629 E A 0032 LYS CB
E A 0031 ILE CD1 3.500 E A 0047 HIS CB
E A 0031 ILE CB 3.583 E A 0049 ILE CG1
E A 0031 ILE CD1 3.412 E A 0049 ILE CG1
E A 0032 LYS C 2.446 C A 0033 THR CA
E A 0032 LYS C 3.637 C A 0033 THR C
E A 0032 LYS C 3.236 C A 0033 THR CB
E A 0032 LYS C 3.627 C A 0034 TRP CZ2
E A 0032 LYS CB 3.645 C A 0034 TRP CE2
E A 0032 LYS CB 3.050 C A 0034 TRP CZ2
C A 0033 THR CA 3.660 C A 0034 TRP CD2
C A 0033 THR CA 3.796 C A 0034 TRP CE3
C A 0033 THR C 2.448 C A 0034 TRP CA
C A 0033 THR C 3.677 C A 0034 TRP C
C A 0033 THR C 3.232 C A 0034 TRP CB
C A 0033 THR C 2.928 C A 0034 TRP CG
C A 0033 THR C 3.409 C A 0034 TRP CD1
C A 0033 THR C 3.133 C A 0034 TRP CD2
C A 0033 THR C 3.738 C A 0034 TRP CE2
C A 0033 THR C 3.627 C A 0034 TRP CE3
C A 0033 THR CG2 3.498 C A 0038 SER CB
C A 0033 THR C 3.516 E A 0052 TYR CB
C A 0033 THR CG2 3.743 E A 0052 TYR CB
C A 0034 TRP C 2.429 C A 0035 SER CA
C A 0034 TRP C 3.340 C A 0035 SER C
C A 0034 TRP C 3.540 C A 0035 SER CB
C A 0034 TRP CA 3.378 E A 0052 TYR CB
C A 0034 TRP CA 3.274 E A 0052 TYR CG
C A 0034 TRP CA 3.507 E A 0052 TYR CD1
C A 0034 TRP C 3.779 E A 0052 TYR CB
C A 0034 TRP C 3.570 E A 0052 TYR CG
C A 0034 TRP C 3.528 E A 0052 TYR CD2
C A 0034 TRP CD1 3.651 E A 0057 HIS CD2
C A 0034 TRP CD1 3.298 E A 0057 HIS CE1
C A 0035 SER C 2.444 C A 0036 ARG CA
C A 0035 SER C 3.709 C A 0036 ARG C
C A 0035 SER C 3.048 C A 0036 ARG CB
C A 0035 SER C 3.375 E A 0052 TYR CD2
C A 0036 ARG C 2.443 C A 0037 ARG CA
C A 0036 ARG C 3.316 C A 0037 ARG C
C A 0036 ARG C 3.576 C A 0037 ARG CB
C A 0036 ARG C 3.732 C A 0037 ARG CG
C A 0037 ARG C 2.463 C A 0038 SER CA
C A 0037 ARG C 2.911 C A 0038 SER C
C A 0037 ARG C 3.619 C A 0038 SER CB
C A 0038 SER C 2.445 C A 0039 THR CA
C A 0038 SER C 3.542 C A 0039 THR C
C A 0038 SER C 3.376 C A 0039 THR CB
C A 0039 THR C 2.434 C A 0040 ILE CA
C A 0039 THR C 3.198 C A 0040 ILE C
C A 0039 THR C 3.626 C A 0040 ILE CB
C A 0039 THR CG2 3.473 C A 0069 HIS C
C A 0040 ILE C 2.458 C A 0041 VAL CA
C A 0040 ILE C 3.612 C A 0041 VAL C
C A 0040 ILE C 3.322 C A 0041 VAL CB
C A 0040 ILE C 3.263 C A 0041 VAL CG2
C A 0040 ILE CG2 3.520 H A 0044 MET CB
C A 0040 ILE CG1 3.714 E A 0062 ILE CG1
C A 0040 ILE CG2 3.632 E A 0062 ILE CB
C A 0040 ILE CG2 3.228 E A 0062 ILE CG1
C A 0040 ILE CG2 3.091 E A 0062 ILE CG2
C A 0040 ILE CG2 3.654 E A 0062 ILE CD1
C A 0040 ILE C 3.442 C A 0067 VAL CG2
C A 0040 ILE CG2 3.619 C A 0067 VAL CA
C A 0040 ILE CG2 3.401 C A 0067 VAL CB
C A 0040 ILE CG2 3.448 C A 0067 VAL CG2
C A 0040 ILE CD1 3.102 C A 0070 LYS CA
C A 0040 ILE CD1 2.905 C A 0070 LYS C
C A 0040 ILE CG1 3.640 C A 0074 PHE CE1
C A 0040 ILE CG1 3.326 C A 0074 PHE CZ
C A 0040 ILE CD1 3.006 C A 0074 PHE CE1
C A 0040 ILE CD1 3.309 C A 0074 PHE CZ
C A 0041 VAL CA 2.863 H A 0042 PRO CD
C A 0041 VAL C 2.427 H A 0042 PRO CA
C A 0041 VAL C 3.050 H A 0042 PRO C
C A 0041 VAL C 3.605 H A 0042 PRO CB
C A 0041 VAL C 3.596 H A 0042 PRO CG
C A 0041 VAL C 2.491 H A 0042 PRO CD
C A 0041 VAL CB 3.009 H A 0042 PRO CD
C A 0041 VAL CG1 3.205 H A 0042 PRO CD
C A 0041 VAL CG2 3.386 H A 0044 MET CG
C A 0041 VAL CG2 3.039 H A 0044 MET CE
C A 0041 VAL CA 3.256 C A 0067 VAL CG2
C A 0041 VAL C 3.089 C A 0067 VAL CG2
H A 0042 PRO C 2.436 H A 0043 GLU CA
H A 0042 PRO C 3.062 H A 0043 GLU C
H A 0042 PRO C 3.650 H A 0043 GLU CB
H A 0043 GLU C 2.447 H A 0044 MET CA
H A 0043 GLU C 3.307 H A 0044 MET C
H A 0043 GLU C 3.598 H A 0044 MET CB
H A 0043 GLU C 3.717 H A 0044 MET CG
H A 0044 MET C 2.462 C A 0045 VAL CA
H A 0044 MET C 3.060 C A 0045 VAL C
H A 0044 MET C 3.665 C A 0045 VAL CB
H A 0044 MET CA 3.661 E A 0049 ILE CD1
H A 0044 MET CB 3.178 E A 0049 ILE CD1
H A 0044 MET CG 3.408 E A 0049 ILE CD1
H A 0044 MET C 3.673 E A 0062 ILE CB
H A 0044 MET CB 3.703 E A 0062 ILE CB
H A 0044 MET CB 3.366 E A 0062 ILE CD1
C A 0045 VAL C 2.431 C A 0046 GLY CA
C A 0045 VAL C 3.646 C A 0046 GLY C
C A 0045 VAL CA 3.763 E A 0062 ILE C
C A 0045 VAL C 3.796 E A 0062 ILE C
C A 0045 VAL CA 3.581 C A 0063 THR C
C A 0045 VAL CG2 3.409 C A 0063 THR C
C A 0045 VAL CG2 3.516 C A 0064 GLU CA
C A 0045 VAL CG2 3.503 C A 0064 GLU CB
C A 0046 GLY CA 3.689 E A 0047 HIS CD2
C A 0046 GLY C 2.441 E A 0047 HIS CA
C A 0046 GLY C 3.648 E A 0047 HIS C
C A 0046 GLY C 3.250 E A 0047 HIS CB
C A 0046 GLY C 3.004 E A 0047 HIS CG
C A 0046 GLY C 3.079 E A 0047 HIS CD2
C A 0046 GLY CA 3.419 E A 0061 TYR CE1
C A 0046 GLY CA 3.573 E A 0061 TYR CZ
C A 0046 GLY C 3.490 E A 0061 TYR CE1
C A 0046 GLY C 3.306 E A 0061 TYR CZ
E A 0047 HIS C 2.440 E A 0048 THR CA
E A 0047 HIS C 3.289 E A 0048 THR C
E A 0047 HIS C 3.576 E A 0048 THR CB
E A 0047 HIS C 3.794 E A 0049 ILE CD1
E A 0047 HIS CB 3.462 E A 0049 ILE CD1
E A 0047 HIS C 3.755 E A 0061 TYR CA
E A 0048 THR C 2.418 E A 0049 ILE CA
E A 0048 THR C 3.211 E A 0049 ILE C
E A 0048 THR C 3.583 E A 0049 ILE CB
E A 0048 THR CG2 3.667 E A 0059 PRO C
E A 0048 THR CA 3.525 E A 0060 VAL C
E A 0048 THR CG2 3.628 E A 0060 VAL C
E A 0048 THR CA 3.503 E A 0061 TYR CA
E A 0048 THR CG2 3.506 E A 0061 TYR CA
E A 0048 THR CG2 3.482 E A 0061 TYR CB
E A 0049 ILE C 2.421 E A 0050 ALA CA
E A 0049 ILE C 3.113 E A 0050 ALA C
E A 0049 ILE C 3.630 E A 0050 ALA CB
E A 0049 ILE C 3.470 E A 0059 PRO CA
E A 0049 ILE CD1 3.082 E A 0062 ILE CD1
E A 0050 ALA C 2.435 E A 0051 VAL CA
E A 0050 ALA C 2.970 E A 0051 VAL C
E A 0050 ALA C 3.667 E A 0051 VAL CB
E A 0050 ALA CB 3.477 E A 0057 HIS C
E A 0050 ALA CB 3.389 E A 0057 HIS CB
E A 0050 ALA CA 3.051 E A 0058 VAL C
E A 0050 ALA C 3.730 E A 0058 VAL C
E A 0050 ALA CB 3.682 E A 0058 VAL C
E A 0050 ALA CA 3.182 E A 0059 PRO CA
E A 0050 ALA CB 3.581 E A 0059 PRO CA
E A 0050 ALA CB 3.726 E A 0059 PRO CD
E A 0051 VAL C 2.420 E A 0052 TYR CA
E A 0051 VAL C 3.089 E A 0052 TYR C
E A 0051 VAL C 3.634 E A 0052 TYR CB
E A 0052 TYR C 2.441 C A 0053 ASN CA
E A 0052 TYR C 3.099 C A 0053 ASN C
E A 0052 TYR C 3.642 C A 0053 ASN CB
E A 0052 TYR CD2 3.634 C A 0054 GLY CA
E A 0052 TYR CE2 3.382 C A 0054 GLY CA
E A 0052 TYR CE2 3.268 C A 0054 GLY C
E A 0052 TYR CZ 3.256 C A 0054 GLY C
E A 0052 TYR CE1 3.689 C A 0055 LYS C
E A 0052 TYR CD1 3.355 E A 0057 HIS CD2
E A 0052 TYR CE1 3.686 E A 0057 HIS CD2
C A 0053 ASN C 2.437 C A 0054 GLY CA
C A 0053 ASN C 3.447 C A 0054 GLY C
C A 0054 GLY C 2.445 C A 0055 LYS CA
C A 0054 GLY C 3.638 C A 0055 LYS C
C A 0054 GLY C 3.276 C A 0055 LYS CB
C A 0054 GLY C 3.613 C A 0055 LYS CG
C A 0055 LYS C 2.440 C A 0056 GLN CA
C A 0055 LYS C 3.575 C A 0056 GLN C
C A 0055 LYS C 3.327 C A 0056 GLN CB
C A 0056 GLN C 2.441 E A 0057 HIS CA
C A 0056 GLN C 3.316 E A 0057 HIS C
C A 0056 GLN C 3.580 E A 0057 HIS CB
C A 0056 GLN C 3.621 E A 0057 HIS CG
C A 0056 GLN C 3.238 E A 0057 HIS CD2
C A 0056 GLN CG 3.274 E A 0058 VAL CG2
C A 0056 GLN CD 3.382 E A 0058 VAL CG2
E A 0057 HIS C 2.434 E A 0058 VAL CA
E A 0057 HIS C 3.304 E A 0058 VAL C
E A 0057 HIS C 3.572 E A 0058 VAL CB
E A 0057 HIS C 3.694 E A 0058 VAL CG2
E A 0057 HIS C 3.622 E A 0059 PRO CD
E A 0058 VAL CA 2.897 E A 0059 PRO CD
E A 0058 VAL C 2.457 E A 0059 PRO CA
E A 0058 VAL C 3.040 E A 0059 PRO C
E A 0058 VAL C 3.647 E A 0059 PRO CB
E A 0058 VAL C 3.621 E A 0059 PRO CG
E A 0058 VAL C 2.500 E A 0059 PRO CD
E A 0058 VAL C 3.777 E A 0060 VAL CG2
E A 0058 VAL CG1 3.425 E A 0060 VAL CG2
E A 0059 PRO CA 3.794 E A 0060 VAL CA
E A 0059 PRO C 2.420 E A 0060 VAL CA
E A 0059 PRO C 3.308 E A 0060 VAL C
E A 0059 PRO C 3.561 E A 0060 VAL CB
E A 0059 PRO C 3.706 E A 0060 VAL CG2
E A 0060 VAL C 2.407 E A 0061 TYR CA
E A 0060 VAL C 3.020 E A 0061 TYR C
E A 0060 VAL C 3.651 E A 0061 TYR CB
E A 0060 VAL CG1 3.635 C A 0074 PHE CB
E A 0060 VAL CG1 3.308 C A 0074 PHE CG
E A 0060 VAL CG1 2.923 C A 0074 PHE CD2
E A 0060 VAL CG1 3.496 C A 0074 PHE CE2
E A 0061 TYR CA 3.797 E A 0062 ILE CA
E A 0061 TYR C 2.411 E A 0062 ILE CA
E A 0061 TYR C 3.193 E A 0062 ILE C
E A 0061 TYR C 3.587 E A 0062 ILE CB
E A 0062 ILE C 2.428 C A 0063 THR CA
E A 0062 ILE C 3.334 C A 0063 THR C
E A 0062 ILE C 3.521 C A 0063 THR CB
E A 0062 ILE C 3.575 C A 0063 THR CG2
E A 0062 ILE CG2 3.599 C A 0067 VAL CB
E A 0062 ILE CA 3.503 C A 0074 PHE CE2
E A 0062 ILE CB 3.556 C A 0074 PHE CE2
E A 0062 ILE CG1 3.099 C A 0074 PHE CE2
E A 0062 ILE CG1 3.420 C A 0074 PHE CZ
E A 0062 ILE CG2 3.535 C A 0074 PHE CE2
E A 0062 ILE CG2 3.696 C A 0074 PHE CZ
C A 0063 THR C 2.413 C A 0064 GLU CA
C A 0063 THR C 3.251 C A 0064 GLU C
C A 0063 THR C 3.575 C A 0064 GLU CB
C A 0064 GLU C 2.445 C A 0065 ASN CA
C A 0064 GLU C 3.667 C A 0065 ASN C
C A 0064 GLU C 3.256 C A 0065 ASN CB
C A 0065 ASN C 2.440 C A 0066 MET CA
C A 0065 ASN C 3.219 C A 0066 MET C
C A 0065 ASN C 3.609 C A 0066 MET CB
C A 0066 MET C 2.440 C A 0067 VAL CA
C A 0066 MET C 3.074 C A 0067 VAL C
C A 0066 MET C 3.661 C A 0067 VAL CB
C A 0066 MET CA 3.704 C A 0073 GLU CB
C A 0066 MET C 3.602 C A 0073 GLU CB
C A 0066 MET C 3.560 C A 0074 PHE CE1
C A 0066 MET C 3.251 C A 0074 PHE CZ
C A 0066 MET CB 3.658 C A 0074 PHE CG
C A 0066 MET CB 3.087 C A 0074 PHE CD2
C A 0066 MET CB 2.903 C A 0074 PHE CE2
C A 0066 MET CB 3.336 C A 0074 PHE CZ
C A 0066 MET CG 3.754 C A 0074 PHE CD2
C A 0067 VAL C 2.436 C A 0068 GLY CA
C A 0067 VAL C 3.471 C A 0068 GLY C
C A 0068 GLY CA 3.715 C A 0069 HIS CD2
C A 0068 GLY C 2.419 C A 0069 HIS CA
C A 0068 GLY C 3.524 C A 0069 HIS C
C A 0068 GLY C 3.364 C A 0069 HIS CB
C A 0068 GLY C 3.354 C A 0069 HIS CG
C A 0068 GLY C 3.010 C A 0069 HIS CD2
C A 0069 HIS C 2.453 C A 0070 LYS CA
C A 0069 HIS C 3.731 C A 0070 LYS C
C A 0069 HIS C 2.929 C A 0070 LYS CB
C A 0069 HIS C 3.073 C A 0070 LYS CG
C A 0069 HIS CG 3.294 C A 0073 GLU CG
C A 0069 HIS CD2 3.133 C A 0073 GLU CG
C A 0069 HIS CD2 3.266 C A 0073 GLU CD
C A 0070 LYS C 2.468 C A 0071 LEU CA
C A 0070 LYS C 3.754 C A 0071 LEU C
C A 0070 LYS C 2.912 C A 0071 LEU CB
C A 0070 LYS CD 3.252 C A 0071 LEU CG
C A 0070 LYS CD 3.234 C A 0071 LEU CD2
C A 0071 LEU C 2.453 C A 0072 GLY CA
C A 0071 LEU C 3.092 C A 0072 GLY C
C A 0071 LEU CA 3.275 C A 0074 PHE CD1
C A 0071 LEU C 3.512 C A 0074 PHE CD1
C A 0072 GLY C 2.436 C A 0073 GLU CA
C A 0072 GLY C 3.195 C A 0073 GLU C
C A 0072 GLY C 3.610 C A 0073 GLU CB
C A 0073 GLU C 2.433 C A 0074 PHE CA
C A 0073 GLU C 3.279 C A 0074 PHE C
C A 0073 GLU C 3.579 C A 0074 PHE CB
C A 0073 GLU C 3.705 C A 0074 PHE CG
C A 0073 GLU C 3.606 C A 0074 PHE CD1
C A 0073 GLU C 3.672 C A 0076 PRO CD
C A 0074 PHE C 2.439 C A 0075 ALA CA
C A 0074 PHE C 3.588 C A 0075 ALA C
C A 0074 PHE C 3.309 C A 0075 ALA CB
C A 0074 PHE C 3.183 C A 0076 PRO CD
C A 0075 ALA CA 2.909 C A 0076 PRO CD
C A 0075 ALA C 2.436 C A 0076 PRO CA
C A 0075 ALA C 3.201 C A 0076 PRO C
C A 0075 ALA C 3.585 C A 0076 PRO CB
C A 0075 ALA C 3.643 C A 0076 PRO CG
C A 0075 ALA C 2.504 C A 0076 PRO CD
C A 0076 PRO C 2.437 C A 0077 THR CA
C A 0076 PRO C 3.317 C A 0077 THR C
C A 0076 PRO C 3.566 C A 0077 THR CB
C A 0077 THR C 2.457 C A 0078 ARG CA
C A 0077 THR C 2.999 C A 0078 ARG C
C A 0077 THR C 2.953 C A 0078 ARG CB
C A 0078 ARG C 2.440 C A 0079 THR CA
C A 0078 ARG C 3.397 C A 0079 THR C
C A 0078 ARG C 3.520 C A 0079 THR CB
C A 0079 THR C 2.454 C A 0080 TYR CA
C A 0079 THR C 2.962 C A 0080 TYR C
C A 0079 THR C 2.978 C A 0080 TYR CB
C A 0079 THR CG2 3.729 C A 0080 TYR CD2
CHARGE_ATTR 2.00 12.00 60
C A 0012 ASP OD1 5.672 H A 0014 HIS ND1
C A 0012 ASP OD1 6.825 H A 0014 HIS NE2
C A 0012 ASP OD2 5.148 H A 0014 HIS ND1
C A 0012 ASP OD2 6.837 H A 0014 HIS NE2
C A 0012 ASP OD1 7.663 H A 0018 LYS NZ
C A 0012 ASP OD2 6.237 H A 0018 LYS NZ
C A 0012 ASP OD2 11.79 E A 0032 LYS NZ
C A 0012 ASP OD1 11.36 C A 0036 ARG NH1
C A 0012 ASP OD1 10.75 E A 0057 HIS ND1
C A 0012 ASP OD1 10.36 E A 0057 HIS NE2
C A 0012 ASP OD2 10.01 E A 0057 HIS ND1
C A 0012 ASP OD2 10.07 E A 0057 HIS NE2
H A 0013 ASP OD1 9.496 H A 0014 HIS ND1
H A 0013 ASP OD1 9.469 H A 0014 HIS NE2
H A 0013 ASP OD2 7.882 H A 0014 HIS ND1
H A 0013 ASP OD2 7.639 H A 0014 HIS NE2
H A 0013 ASP OD1 11.42 H A 0018 LYS NZ
H A 0013 ASP OD2 9.897 H A 0018 LYS NZ
H A 0017 GLU OE1 5.004 H A 0014 HIS ND1
H A 0017 GLU OE1 4.690 H A 0014 HIS NE2
H A 0017 GLU OE2 3.125 H A 0014 HIS ND1
H A 0017 GLU OE2 3.450 H A 0014 HIS NE2
H A 0017 GLU OE1 5.581 H A 0018 LYS NZ
H A 0017 GLU OE2 4.227 H A 0018 LYS NZ
H A 0021 GLU OE1 9.862 H A 0014 HIS ND1
H A 0021 GLU OE1 10.47 H A 0014 HIS NE2
H A 0021 GLU OE2 10.72 H A 0014 HIS ND1
H A 0021 GLU OE2 11.13 H A 0014 HIS NE2
H A 0021 GLU OE1 8.154 H A 0018 LYS NZ
H A 0021 GLU OE2 9.546 H A 0018 LYS NZ
H A 0021 GLU OE1 5.975 H A 0025 LYS NZ
H A 0021 GLU OE2 6.384 H A 0025 LYS NZ
H A 0021 GLU OE1 11.19 C A 0029 ARG NH1
H A 0021 GLU OE1 11.50 C A 0029 ARG NH2
H A 0021 GLU OE1 10.79 E A 0047 HIS ND1
H A 0021 GLU OE1 11.38 E A 0047 HIS NE2
H A 0021 GLU OE2 11.17 E A 0047 HIS ND1
H A 0021 GLU OE2 11.34 E A 0047 HIS NE2
C A 0027 GLU OE1 6.672 H A 0025 LYS NZ
C A 0027 GLU OE2 4.983 H A 0025 LYS NZ
C A 0027 GLU OE1 6.173 C A 0029 ARG NH1
C A 0027 GLU OE1 4.827 C A 0029 ARG NH2
C A 0027 GLU OE2 8.133 C A 0029 ARG NH1
C A 0027 GLU OE2 6.845 C A 0029 ARG NH2
C A 0027 GLU OE1 11.44 E A 0032 LYS NZ
C A 0027 GLU OE1 8.855 E A 0047 HIS ND1
C A 0027 GLU OE1 10.23 E A 0047 HIS NE2
C A 0027 GLU OE2 9.201 E A 0047 HIS ND1
C A 0027 GLU OE2 10.17 E A 0047 HIS NE2
H A 0043 GLU OE2 11.73 H A 0025 LYS NZ
H A 0043 GLU OE1 8.531 E A 0047 HIS ND1
H A 0043 GLU OE1 7.315 E A 0047 HIS NE2
H A 0043 GLU OE2 7.735 E A 0047 HIS ND1
H A 0043 GLU OE2 6.174 E A 0047 HIS NE2
C A 0073 GLU OE1 4.908 C A 0069 HIS ND1
C A 0073 GLU OE1 3.576 C A 0069 HIS NE2
C A 0073 GLU OE2 4.958 C A 0069 HIS ND1
C A 0073 GLU OE2 3.790 C A 0069 HIS NE2
C A 0073 GLU OE1 9.406 C A 0070 LYS NZ
C A 0073 GLU OE2 9.408 C A 0070 LYS NZ
CHARGE_REPU 2.00 12.00 68
C A 0012 ASP OD1 8.122 H A 0013 ASP OD1
C A 0012 ASP OD1 7.757 H A 0013 ASP OD2
C A 0012 ASP OD2 8.357 H A 0013 ASP OD1
C A 0012 ASP OD2 7.865 H A 0013 ASP OD2
C A 0012 ASP OD1 9.469 H A 0017 GLU OE1
C A 0012 ASP OD1 7.379 H A 0017 GLU OE2
C A 0012 ASP OD2 8.678 H A 0017 GLU OE1
C A 0012 ASP OD2 6.562 H A 0017 GLU OE2
C A 0012 ASP OD2 11.54 H A 0043 GLU OE1
H A 0013 ASP OD1 8.891 H A 0017 GLU OE1
H A 0013 ASP OD1 8.149 H A 0017 GLU OE2
H A 0013 ASP OD2 6.856 H A 0017 GLU OE1
H A 0013 ASP OD2 6.265 H A 0017 GLU OE2
H A 0013 ASP OD1 11.34 H A 0021 GLU OE2
H A 0013 ASP OD2 10.78 H A 0021 GLU OE1
H A 0013 ASP OD2 10.01 H A 0021 GLU OE2
H A 0013 ASP OD1 8.764 H A 0043 GLU OE1
H A 0013 ASP OD1 10.90 H A 0043 GLU OE2
H A 0013 ASP OD2 9.143 H A 0043 GLU OE1
H A 0013 ASP OD2 11.24 H A 0043 GLU OE2
H A 0014 HIS ND1 3.415 H A 0018 LYS NZ
H A 0014 HIS NE2 5.222 H A 0018 LYS NZ
H A 0014 HIS ND1 11.59 E A 0032 LYS NZ
H A 0014 HIS ND1 11.31 E A 0057 HIS ND1
H A 0014 HIS ND1 11.40 E A 0057 HIS NE2
H A 0017 GLU OE1 6.193 H A 0021 GLU OE1
H A 0017 GLU OE1 6.593 H A 0021 GLU OE2
H A 0017 GLU OE2 7.309 H A 0021 GLU OE1
H A 0017 GLU OE2 7.847 H A 0021 GLU OE2
H A 0017 GLU OE1 11.20 H A 0043 GLU OE1
H A 0017 GLU OE2 10.99 H A 0043 GLU OE1
H A 0018 LYS NZ 11.13 C A 0029 ARG NH1
H A 0018 LYS NZ 8.523 E A 0032 LYS NZ
H A 0018 LYS NZ 10.29 E A 0057 HIS ND1
H A 0018 LYS NZ 11.03 E A 0057 HIS NE2
H A 0021 GLU OE1 9.649 C A 0027 GLU OE1
H A 0021 GLU OE1 8.956 C A 0027 GLU OE2
H A 0021 GLU OE2 10.88 C A 0027 GLU OE1
H A 0021 GLU OE2 9.864 C A 0027 GLU OE2
H A 0021 GLU OE1 9.483 H A 0043 GLU OE1
H A 0021 GLU OE1 9.996 H A 0043 GLU OE2
H A 0021 GLU OE2 8.311 H A 0043 GLU OE1
H A 0021 GLU OE2 8.839 H A 0043 GLU OE2
H A 0025 LYS NZ 11.12 C A 0029 ARG NH1
H A 0025 LYS NZ 10.25 C A 0029 ARG NH2
H A 0025 LYS NZ 11.46 E A 0047 HIS ND1
H A 0025 LYS NZ 11.94 E A 0047 HIS NE2
C A 0028 LYS NZ 8.276 E A 0047 HIS ND1
C A 0028 LYS NZ 7.908 E A 0047 HIS NE2
C A 0029 ARG NH1 5.832 E A 0032 LYS NZ
C A 0029 ARG NH2 8.068 E A 0032 LYS NZ
C A 0029 ARG NH1 10.19 E A 0047 HIS ND1
C A 0029 ARG NH2 10.87 E A 0047 HIS ND1
E A 0032 LYS NZ 11.69 E A 0047 HIS ND1
E A 0032 LYS NZ 8.212 E A 0057 HIS ND1
E A 0032 LYS NZ 10.26 E A 0057 HIS NE2
C A 0036 ARG NH1 10.39 C A 0037 ARG NH1
C A 0036 ARG NH1 10.04 C A 0037 ARG NH2
C A 0036 ARG NH2 9.965 C A 0037 ARG NH1
C A 0036 ARG NH2 9.925 C A 0037 ARG NH2
C A 0036 ARG NH1 11.46 C A 0055 LYS NZ
C A 0036 ARG NH1 10.93 E A 0057 HIS NE2
C A 0055 LYS NZ 11.50 E A 0057 HIS NE2
C A 0064 GLU OE1 10.11 C A 0073 GLU OE1
C A 0064 GLU OE1 11.12 C A 0073 GLU OE2
C A 0064 GLU OE2 11.94 C A 0073 GLU OE1
C A 0069 HIS ND1 6.078 C A 0070 LYS NZ
C A 0069 HIS NE2 8.192 C A 0070 LYS NZ
HB_MM 2.00 3.20 116
C A 0009 VAL N 2.206 C A 0008 GLY O
C A 0010 PHE N 2.206 C A 0009 VAL O
C A 0011 VAL N 2.200 C A 0010 PHE O
C A 0012 ASP N 2.205 C A 0011 VAL O
H A 0013 ASP N 2.726 C A 0011 VAL O
H A 0013 ASP N 2.210 C A 0012 ASP O
H A 0014 HIS N 3.162 C A 0012 ASP O
H A 0014 HIS N 2.211 H A 0013 ASP O
H A 0015 LEU N 3.015 C A 0012 ASP O
H A 0015 LEU N 2.208 H A 0014 HIS O
H A 0016 LEU N 3.166 H A 0013 ASP O
H A 0016 LEU N 2.210 H A 0015 LEU O
H A 0017 GLU N 2.953 H A 0013 ASP O
H A 0017 GLU N 2.210 H A 0016 LEU O
H A 0018 LYS N 3.084 H A 0015 LEU O
H A 0018 LYS N 2.881 H A 0016 LEU O
H A 0018 LYS N 2.205 H A 0017 GLU O
H A 0019 VAL N 2.882 H A 0015 LEU O
H A 0019 VAL N 3.009 H A 0016 LEU O
H A 0019 VAL N 2.207 H A 0018 LYS O
H A 0020 LEU N 2.915 H A 0016 LEU O
H A 0020 LEU N 2.206 H A 0019 VAL O
H A 0021 GLU N 3.086 H A 0019 VAL O
H A 0021 GLU N 2.212 H A 0020 LEU O
H A 0022 LEU N 2.842 H A 0019 VAL O
H A 0022 LEU N 2.212 H A 0021 GLU O
H A 0023 ASN N 2.791 H A 0019 VAL O
H A 0023 ASN N 2.206 H A 0022 LEU O
H A 0024 ALA N 2.963 H A 0020 LEU O
H A 0024 ALA N 2.210 H A 0023 ASN O
H A 0025 LYS N 3.124 H A 0021 GLU O
H A 0025 LYS N 2.210 H A 0024 ALA O
C A 0026 GLY N 2.855 H A 0022 LEU O
C A 0026 GLY N 2.209 H A 0025 LYS O
C A 0027 GLU N 2.932 H A 0022 LEU O
C A 0027 GLU N 2.210 C A 0026 GLY O
C A 0028 LYS N 2.204 C A 0027 GLU O
C A 0029 ARG N 2.206 C A 0028 LYS O
E A 0030 LEU N 2.205 C A 0029 ARG O
E A 0031 ILE N 2.207 E A 0030 LEU O
E A 0031 ILE N 3.198 E A 0048 THR O
E A 0032 LYS N 2.200 E A 0031 ILE O
C A 0033 THR N 2.210 E A 0032 LYS O
C A 0033 THR N 3.057 E A 0050 ALA O
C A 0034 TRP N 2.212 C A 0033 THR O
C A 0035 SER N 2.200 C A 0034 TRP O
C A 0036 ARG N 2.206 C A 0035 SER O
C A 0037 ARG N 2.208 C A 0036 ARG O
C A 0038 SER N 2.214 C A 0037 ARG O
C A 0039 THR N 3.069 C A 0010 PHE O
C A 0039 THR N 3.081 C A 0037 ARG O
C A 0039 THR N 2.211 C A 0038 SER O
C A 0040 ILE N 2.203 C A 0039 THR O
C A 0041 VAL N 2.209 C A 0040 ILE O
H A 0042 PRO N 2.228 C A 0041 VAL O
H A 0043 GLU N 2.201 H A 0042 PRO O
H A 0044 MET N 3.083 C A 0041 VAL O
H A 0044 MET N 3.004 H A 0042 PRO O
H A 0044 MET N 2.207 H A 0043 GLU O
C A 0045 VAL N 3.143 H A 0042 PRO O
C A 0045 VAL N 2.206 H A 0044 MET O
C A 0046 GLY N 2.651 H A 0044 MET O
C A 0046 GLY N 2.195 C A 0045 VAL O
E A 0047 HIS N 3.100 H A 0044 MET O
E A 0047 HIS N 2.209 C A 0046 GLY O
E A 0048 THR N 3.091 C A 0029 ARG O
E A 0048 THR N 2.209 E A 0047 HIS O
E A 0049 ILE N 2.190 E A 0048 THR O
E A 0049 ILE N 3.140 E A 0060 VAL O
E A 0050 ALA N 2.763 E A 0031 ILE O
E A 0050 ALA N 2.211 E A 0049 ILE O
E A 0051 VAL N 2.805 E A 0049 ILE O
E A 0051 VAL N 2.211 E A 0050 ALA O
E A 0051 VAL N 3.084 E A 0058 VAL O
E A 0052 TYR N 2.202 E A 0051 VAL O
C A 0053 ASN N 3.063 E A 0051 VAL O
C A 0053 ASN N 2.208 E A 0052 TYR O
C A 0053 ASN N 2.878 C A 0056 GLN O
C A 0054 GLY N 2.995 E A 0052 TYR O
C A 0054 GLY N 2.204 C A 0053 ASN O
C A 0055 LYS N 2.213 C A 0054 GLY O
C A 0056 GLN N 2.207 C A 0055 LYS O
E A 0057 HIS N 2.212 C A 0056 GLN O
E A 0058 VAL N 3.059 E A 0051 VAL O
E A 0058 VAL N 2.199 E A 0057 HIS O
E A 0059 PRO N 2.241 E A 0058 VAL O
E A 0060 VAL N 2.926 E A 0049 ILE O
E A 0060 VAL N 2.728 E A 0058 VAL O
E A 0060 VAL N 2.203 E A 0059 PRO O
E A 0061 TYR N 2.204 E A 0060 VAL O
E A 0062 ILE N 2.932 E A 0047 HIS O
E A 0062 ILE N 2.926 E A 0060 VAL O
E A 0062 ILE N 2.197 E A 0061 TYR O
C A 0063 THR N 2.202 E A 0062 ILE O
C A 0064 GLU N 2.192 C A 0063 THR O
C A 0065 ASN N 2.208 C A 0064 GLU O
C A 0066 MET N 2.201 C A 0065 ASN O
C A 0067 VAL N 2.200 C A 0066 MET O
C A 0068 GLY N 2.211 C A 0067 VAL O
C A 0069 HIS N 2.203 C A 0068 GLY O
C A 0070 LYS N 2.205 C A 0069 HIS O
C A 0071 LEU N 2.214 C A 0070 LYS O
C A 0072 GLY N 2.212 C A 0071 LEU O
C A 0073 GLU N 3.198 C A 0071 LEU O
C A 0073 GLU N 2.203 C A 0072 GLY O
C A 0074 PHE N 3.081 C A 0071 LEU O
C A 0074 PHE N 2.207 C A 0073 GLU O
C A 0075 ALA N 3.005 C A 0071 LEU O
C A 0075 ALA N 2.215 C A 0074 PHE O
C A 0076 PRO N 3.178 C A 0072 GLY O
C A 0076 PRO N 2.235 C A 0075 ALA O
C A 0077 THR N 2.949 C A 0075 ALA O
C A 0077 THR N 2.206 C A 0076 PRO O
C A 0078 ARG N 2.213 C A 0077 THR O
C A 0079 THR N 2.207 C A 0078 ARG O
C A 0080 TYR N 2.214 C A 0079 THR O
HB_MS 2.00 3.20 12
C A 0008 GLY O 3.023 C A 0037 ARG NH2
H A 0015 LEU N 2.870 C A 0012 ASP OD2
H A 0019 VAL O 2.877 H A 0023 ASN ND2
E A 0032 LYS O 3.060 C A 0033 THR OG1
C A 0037 ARG O 2.988 C A 0039 THR OG1
H A 0043 GLU O 2.916 H A 0023 ASN ND2
C A 0046 GLY O 3.047 E A 0061 TYR OH
C A 0054 GLY O 2.794 E A 0052 TYR OH
E A 0057 HIS O 2.875 C A 0056 GLN NE2
C A 0064 GLU N 3.098 C A 0063 THR OG1
C A 0069 HIS O 2.877 C A 0039 THR OG1
C A 0080 TYR N 3.039 C A 0079 THR OG1
HB_SS 2.00 3.20 4
C A 0012 ASP OD2 2.996 C A 0033 THR OG1
C A 0012 ASP OD1 2.818 C A 0035 SER OG
H A 0043 GLU OE2 3.077 H A 0023 ASN ND2
E A 0047 HIS NE2 3.190 H A 0023 ASN OD1
AROMATIC 0.00 8.00 5
C A 0028 LYS 6.888 E A 0061 TYR
C A 0036 ARG 6.453 E A 0052 TYR
H A 0018 LYS 4.580 H A 0014 HIS
H A 0018 LYS 4.617 C A 0034 TRP
C A 0070 LYS 6.996 C A 0069 HIS