Complet list of 1f03 con file
Complete list of 1f03.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 354
C A 0003 ALA CA 3.792 C A 0004 VAL CA
C A 0003 ALA C 2.414 C A 0004 VAL CA
C A 0003 ALA C 2.969 C A 0004 VAL C
C A 0003 ALA C 3.714 C A 0004 VAL CB
C A 0004 VAL C 2.440 C A 0005 LYS CA
C A 0004 VAL C 3.562 C A 0005 LYS C
C A 0004 VAL C 3.292 C A 0005 LYS CB
C A 0005 LYS C 2.439 E A 0006 TYR CA
C A 0005 LYS C 3.309 E A 0006 TYR C
C A 0005 LYS C 3.586 E A 0006 TYR CB
E A 0006 TYR C 2.458 E A 0007 TYR CA
E A 0006 TYR C 3.545 E A 0007 TYR C
E A 0006 TYR C 3.411 E A 0007 TYR CB
E A 0006 TYR C 3.400 E A 0007 TYR CG
E A 0006 TYR C 3.749 E A 0007 TYR CD1
E A 0006 TYR CD2 3.483 E A 0078 GLU CB
E A 0006 TYR CE2 3.695 E A 0078 GLU CB
E A 0006 TYR CB 3.798 C A 0080 HIS CA
E A 0007 TYR C 2.453 H A 0008 THR CA
E A 0007 TYR C 3.122 H A 0008 THR C
E A 0007 TYR C 3.699 H A 0008 THR CB
E A 0007 TYR CB 3.590 H A 0012 ILE CG1
E A 0007 TYR CG 3.716 E A 0022 TRP CZ3
E A 0007 TYR CD1 3.734 E A 0022 TRP CZ3
E A 0007 TYR CE2 3.671 E A 0076 ILE CD1
E A 0007 TYR C 3.718 C A 0080 HIS CB
H A 0008 THR C 2.439 H A 0009 LEU CA
H A 0008 THR C 2.921 H A 0009 LEU C
H A 0008 THR C 3.726 H A 0009 LEU CB
H A 0008 THR CA 3.773 C A 0080 HIS CB
H A 0009 LEU C 2.482 H A 0010 GLU CA
H A 0009 LEU C 3.042 H A 0010 GLU C
H A 0009 LEU C 3.728 H A 0010 GLU CB
H A 0010 GLU C 2.444 H A 0011 GLU CA
H A 0010 GLU C 2.935 H A 0011 GLU C
H A 0010 GLU C 3.714 H A 0011 GLU CB
H A 0011 GLU C 2.437 H A 0012 ILE CA
H A 0011 GLU C 2.993 H A 0012 ILE C
H A 0011 GLU C 3.728 H A 0012 ILE CB
H A 0012 ILE C 2.465 H A 0013 GLN CA
H A 0012 ILE C 2.952 H A 0013 GLN C
H A 0012 ILE C 3.758 H A 0013 GLN CB
H A 0012 ILE CD1 3.654 E A 0024 ILE CG1
H A 0012 ILE CD1 3.691 E A 0024 ILE CD1
H A 0012 ILE CD1 3.571 E A 0029 VAL CG2
H A 0013 GLN C 2.436 H A 0014 LYS CA
H A 0013 GLN C 3.028 H A 0014 LYS C
H A 0013 GLN C 3.730 H A 0014 LYS CB
H A 0014 LYS C 2.476 H A 0015 HIS CA
H A 0014 LYS C 3.374 H A 0015 HIS C
H A 0014 LYS C 3.601 H A 0015 HIS CB
H A 0014 LYS C 3.635 H A 0015 HIS CD2
H A 0015 HIS C 2.474 E A 0016 ASN CA
H A 0015 HIS C 3.602 E A 0016 ASN C
H A 0015 HIS C 3.467 E A 0016 ASN CB
H A 0015 HIS CB 3.778 E A 0020 SER CB
H A 0015 HIS CG 3.729 E A 0020 SER CB
H A 0015 HIS CB 3.622 E A 0022 TRP CB
H A 0015 HIS CB 3.408 E A 0022 TRP CG
H A 0015 HIS CB 3.722 E A 0022 TRP CD2
H A 0015 HIS CG 3.625 E A 0022 TRP CD2
H A 0015 HIS CE1 3.591 E A 0022 TRP CE2
H A 0015 HIS CE1 3.487 E A 0022 TRP CZ2
E A 0016 ASN C 2.452 E A 0017 ASN CA
E A 0016 ASN C 3.647 E A 0017 ASN C
E A 0016 ASN C 3.314 E A 0017 ASN CB
E A 0016 ASN CA 3.702 H A 0050 ALA CB
E A 0016 ASN CB 3.774 H A 0050 ALA C
E A 0017 ASN C 2.575 C A 0018 SER CA
E A 0017 ASN C 3.261 C A 0018 SER C
E A 0017 ASN C 3.346 C A 0018 SER CB
C A 0018 SER C 2.428 C A 0019 LYS CA
C A 0018 SER C 3.689 C A 0019 LYS C
C A 0018 SER C 3.048 C A 0019 LYS CB
C A 0018 SER C 3.779 C A 0019 LYS CG
C A 0019 LYS C 2.449 E A 0020 SER CA
C A 0019 LYS C 3.564 E A 0020 SER C
C A 0019 LYS C 3.373 E A 0020 SER CB
E A 0020 SER C 2.473 E A 0021 THR CA
E A 0020 SER C 3.281 E A 0021 THR C
E A 0020 SER C 3.638 E A 0021 THR CB
E A 0021 THR C 2.447 E A 0022 TRP CA
E A 0021 THR C 3.271 E A 0022 TRP C
E A 0021 THR C 3.647 E A 0022 TRP CB
E A 0021 THR C 3.708 E A 0022 TRP CD1
E A 0021 THR CG2 3.504 H A 0050 ALA CB
E A 0022 TRP C 2.465 E A 0023 LEU CA
E A 0022 TRP C 3.699 E A 0023 LEU C
E A 0022 TRP C 3.106 E A 0023 LEU CB
E A 0022 TRP C 3.419 E A 0023 LEU CG
E A 0022 TRP CD1 3.746 E A 0031 ASP CA
E A 0022 TRP CD1 3.493 E A 0031 ASP CB
E A 0022 TRP CD1 3.380 E A 0031 ASP CG
E A 0022 TRP CD2 3.515 E A 0076 ILE CD1
E A 0022 TRP CE2 3.456 E A 0076 ILE CD1
E A 0022 TRP CE3 3.609 E A 0076 ILE CD1
E A 0022 TRP CZ2 3.534 E A 0076 ILE CD1
E A 0022 TRP CZ3 3.695 E A 0076 ILE CD1
E A 0022 TRP CH2 3.658 E A 0076 ILE CD1
E A 0023 LEU C 2.480 E A 0024 ILE CA
E A 0023 LEU C 3.407 E A 0024 ILE C
E A 0023 LEU C 3.599 E A 0024 ILE CB
E A 0023 LEU C 3.781 E A 0024 ILE CG1
E A 0023 LEU CD1 3.612 E A 0025 LEU CD1
E A 0023 LEU CD2 3.709 H A 0046 LEU CD2
E A 0024 ILE C 2.466 E A 0025 LEU CA
E A 0024 ILE C 3.444 E A 0025 LEU C
E A 0024 ILE C 3.523 E A 0025 LEU CB
E A 0024 ILE C 3.358 E A 0025 LEU CD1
E A 0024 ILE CG2 3.643 C A 0027 TYR CA
E A 0024 ILE CD1 3.663 E A 0079 LEU CD1
E A 0025 LEU C 2.473 C A 0026 HIS CA
E A 0025 LEU C 3.004 C A 0026 HIS C
E A 0025 LEU C 3.165 C A 0026 HIS CB
E A 0025 LEU C 3.597 C A 0026 HIS CG
E A 0025 LEU C 3.576 C A 0026 HIS CD2
E A 0025 LEU CB 3.717 E A 0030 TYR CE2
E A 0025 LEU CD1 3.448 H A 0054 ALA C
E A 0025 LEU CD1 3.611 H A 0054 ALA CB
E A 0025 LEU CG 3.689 H A 0058 PHE CB
E A 0025 LEU CG 3.656 H A 0058 PHE CG
E A 0025 LEU CD2 3.773 H A 0058 PHE CG
E A 0025 LEU CD2 3.625 H A 0058 PHE CD1
C A 0026 HIS C 2.487 C A 0027 TYR CA
C A 0026 HIS C 3.175 C A 0027 TYR C
C A 0026 HIS C 3.085 C A 0027 TYR CB
C A 0026 HIS C 3.475 C A 0027 TYR CG
C A 0026 HIS CG 3.594 H A 0055 THR CG2
C A 0026 HIS CE1 3.424 H A 0055 THR CG2
C A 0027 TYR C 2.467 E A 0028 LYS CA
C A 0027 TYR C 3.420 E A 0028 LYS C
C A 0027 TYR C 3.536 E A 0028 LYS CB
C A 0027 TYR C 3.632 E A 0028 LYS CG
E A 0028 LYS C 2.462 E A 0029 VAL CA
E A 0028 LYS C 3.316 E A 0029 VAL C
E A 0028 LYS C 3.656 E A 0029 VAL CB
E A 0028 LYS C 3.775 E A 0029 VAL CG2
E A 0028 LYS C 3.754 E A 0030 TYR CD2
E A 0028 LYS C 3.673 E A 0030 TYR CE2
E A 0028 LYS CB 3.616 E A 0030 TYR CE2
E A 0028 LYS CG 3.711 E A 0078 GLU CG
E A 0029 VAL C 2.465 E A 0030 TYR CA
E A 0029 VAL C 3.537 E A 0030 TYR C
E A 0029 VAL C 3.434 E A 0030 TYR CB
E A 0029 VAL C 3.520 E A 0030 TYR CG
E A 0029 VAL C 3.579 E A 0030 TYR CD2
E A 0029 VAL C 3.677 E A 0076 ILE CG1
E A 0029 VAL CG1 3.698 E A 0076 ILE CD1
E A 0029 VAL CG2 3.530 E A 0078 GLU C
E A 0030 TYR C 2.454 E A 0031 ASP CA
E A 0030 TYR C 3.193 E A 0031 ASP C
E A 0030 TYR C 3.706 E A 0031 ASP CB
E A 0030 TYR CD1 3.745 H A 0071 SER C
E A 0030 TYR CE1 3.352 H A 0071 SER C
E A 0030 TYR CE1 3.488 H A 0071 SER CB
E A 0030 TYR CD1 3.795 E A 0075 ILE CA
E A 0030 TYR CE1 3.693 E A 0075 ILE CG1
E A 0031 ASP C 2.449 C A 0032 LEU CA
E A 0031 ASP C 3.501 C A 0032 LEU C
E A 0031 ASP C 3.462 C A 0032 LEU CB
E A 0031 ASP C 3.473 C A 0032 LEU CG
C A 0032 LEU C 2.435 H A 0033 THR CA
C A 0032 LEU C 3.026 H A 0033 THR C
C A 0032 LEU C 3.702 H A 0033 THR CB
C A 0032 LEU CD2 3.684 H A 0074 PHE CG
C A 0032 LEU CD2 3.581 H A 0074 PHE CD2
H A 0033 THR C 2.442 H A 0034 LYS CA
H A 0033 THR C 3.192 H A 0034 LYS C
H A 0033 THR C 3.668 H A 0034 LYS CB
H A 0034 LYS C 2.483 H A 0035 PHE CA
H A 0034 LYS C 3.401 H A 0035 PHE C
H A 0034 LYS C 3.613 H A 0035 PHE CB
H A 0035 PHE C 2.458 H A 0036 LEU CA
H A 0035 PHE C 2.993 H A 0036 LEU C
H A 0035 PHE C 3.711 H A 0036 LEU CB
H A 0035 PHE CD1 3.458 C A 0038 GLU CB
H A 0035 PHE CE1 3.687 C A 0038 GLU CB
H A 0035 PHE CB 3.757 H A 0074 PHE CZ
H A 0035 PHE CG 3.690 H A 0074 PHE CE2
H A 0035 PHE CG 3.495 H A 0074 PHE CZ
H A 0035 PHE CD1 3.701 H A 0074 PHE CE2
H A 0035 PHE CD1 3.348 H A 0074 PHE CZ
H A 0036 LEU C 2.454 C A 0037 GLU CA
H A 0036 LEU C 3.048 C A 0037 GLU C
H A 0036 LEU C 3.715 C A 0037 GLU CB
H A 0036 LEU CB 3.782 H A 0043 GLU CB
C A 0037 GLU C 2.470 C A 0038 GLU CA
C A 0037 GLU C 3.103 C A 0038 GLU C
C A 0037 GLU C 3.699 C A 0038 GLU CB
C A 0038 GLU C 2.475 C A 0039 HIS CA
C A 0038 GLU C 3.058 C A 0039 HIS C
C A 0038 GLU C 3.714 C A 0039 HIS CB
C A 0039 HIS CA 2.983 C A 0040 PRO CD
C A 0039 HIS C 2.458 C A 0040 PRO CA
C A 0039 HIS C 3.197 C A 0040 PRO C
C A 0039 HIS C 3.625 C A 0040 PRO CB
C A 0039 HIS C 3.697 C A 0040 PRO CG
C A 0039 HIS C 2.507 C A 0040 PRO CD
C A 0039 HIS CE1 3.567 C A 0041 GLY CA
C A 0039 HIS CB 3.587 H A 0046 LEU CD1
C A 0039 HIS CG 3.392 H A 0046 LEU CD1
C A 0040 PRO C 2.479 C A 0041 GLY CA
C A 0040 PRO C 3.661 C A 0041 GLY C
C A 0041 GLY C 2.458 H A 0042 GLY CA
C A 0041 GLY C 3.256 H A 0042 GLY C
H A 0042 GLY C 2.461 H A 0043 GLU CA
H A 0042 GLY C 3.140 H A 0043 GLU C
H A 0042 GLY C 3.706 H A 0043 GLU CB
H A 0043 GLU C 2.466 H A 0044 ALA CA
H A 0043 GLU C 2.994 H A 0044 ALA C
H A 0043 GLU C 3.726 H A 0044 ALA CB
H A 0044 ALA C 2.427 H A 0045 VAL CA
H A 0044 ALA C 3.045 H A 0045 VAL C
H A 0044 ALA C 3.706 H A 0045 VAL CB
H A 0045 VAL C 2.450 H A 0046 LEU CA
H A 0045 VAL C 2.956 H A 0046 LEU C
H A 0045 VAL C 3.749 H A 0046 LEU CB
H A 0046 LEU C 2.462 H A 0047 ARG CA
H A 0046 LEU C 3.014 H A 0047 ARG C
H A 0046 LEU C 3.711 H A 0047 ARG CB
H A 0047 ARG C 2.465 H A 0048 ALA CA
H A 0047 ARG C 3.016 H A 0048 ALA C
H A 0047 ARG C 3.694 H A 0048 ALA CB
H A 0048 ALA C 2.460 H A 0049 GLN CA
H A 0048 ALA C 3.265 H A 0049 GLN C
H A 0048 ALA C 3.637 H A 0049 GLN CB
H A 0049 GLN C 2.433 H A 0050 ALA CA
H A 0049 GLN C 3.031 H A 0050 ALA C
H A 0049 GLN C 3.706 H A 0050 ALA CB
H A 0049 GLN CG 3.781 H A 0057 ASN CG
H A 0049 GLN CD 3.736 H A 0057 ASN CB
H A 0049 GLN CD 3.394 H A 0057 ASN CG
H A 0050 ALA C 2.457 C A 0051 GLY CA
H A 0050 ALA C 3.358 C A 0051 GLY C
C A 0051 GLY C 2.397 C A 0052 GLY CA
C A 0051 GLY C 3.691 C A 0052 GLY C
C A 0052 GLY CA 3.786 C A 0053 ASP CA
C A 0052 GLY C 2.437 C A 0053 ASP CA
C A 0052 GLY C 2.981 C A 0053 ASP C
C A 0052 GLY C 3.735 C A 0053 ASP CB
C A 0053 ASP CA 3.789 H A 0054 ALA CA
C A 0053 ASP C 2.443 H A 0054 ALA CA
C A 0053 ASP C 3.463 H A 0054 ALA C
C A 0053 ASP C 3.480 H A 0054 ALA CB
H A 0054 ALA C 2.450 H A 0055 THR CA
H A 0054 ALA C 2.940 H A 0055 THR C
H A 0054 ALA C 3.739 H A 0055 THR CB
H A 0055 THR C 2.448 H A 0056 ALA CA
H A 0055 THR C 2.965 H A 0056 ALA C
H A 0055 THR C 3.719 H A 0056 ALA CB
H A 0056 ALA C 2.442 H A 0057 ASN CA
H A 0056 ALA C 2.995 H A 0057 ASN C
H A 0056 ALA C 3.729 H A 0057 ASN CB
H A 0056 ALA CA 3.757 H A 0059 GLU CG
H A 0057 ASN C 2.469 H A 0058 PHE CA
H A 0057 ASN C 3.004 H A 0058 PHE C
H A 0057 ASN C 3.722 H A 0058 PHE CB
H A 0058 PHE C 2.445 H A 0059 GLU CA
H A 0058 PHE C 3.147 H A 0059 GLU C
H A 0058 PHE C 3.719 H A 0059 GLU CB
H A 0058 PHE CD1 3.628 C A 0063 HIS CG
H A 0058 PHE CD1 3.381 C A 0063 HIS CE1
H A 0058 PHE CE1 3.639 C A 0063 HIS CB
H A 0058 PHE CE1 3.234 C A 0063 HIS CG
H A 0058 PHE CE1 3.501 C A 0063 HIS CD2
H A 0058 PHE CE1 3.739 C A 0063 HIS CE1
H A 0058 PHE CZ 3.569 C A 0063 HIS CB
H A 0058 PHE CZ 3.745 C A 0063 HIS CG
H A 0059 GLU C 2.461 H A 0060 ALA CA
H A 0059 GLU C 2.995 H A 0060 ALA C
H A 0059 GLU C 3.747 H A 0060 ALA CB
H A 0060 ALA C 2.433 H A 0061 VAL CA
H A 0060 ALA C 2.962 H A 0061 VAL C
H A 0060 ALA C 3.727 H A 0061 VAL CB
H A 0061 VAL C 2.452 H A 0062 GLY CA
H A 0061 VAL C 3.266 H A 0062 GLY C
H A 0062 GLY C 2.455 C A 0063 HIS CA
H A 0062 GLY C 3.631 C A 0063 HIS C
H A 0062 GLY C 3.239 C A 0063 HIS CB
H A 0062 GLY C 3.393 C A 0063 HIS CG
C A 0063 HIS C 2.468 H A 0064 SER CA
C A 0063 HIS C 3.131 H A 0064 SER C
C A 0063 HIS C 3.709 H A 0064 SER CB
H A 0064 SER C 2.469 H A 0065 THR CA
H A 0064 SER C 2.979 H A 0065 THR C
H A 0064 SER C 3.700 H A 0065 THR CB
H A 0065 THR C 2.459 H A 0066 ASP CA
H A 0065 THR C 2.907 H A 0066 ASP C
H A 0065 THR C 3.695 H A 0066 ASP CB
H A 0066 ASP C 2.463 H A 0067 ALA CA
H A 0066 ASP C 3.041 H A 0067 ALA C
H A 0066 ASP C 3.723 H A 0067 ALA CB
H A 0067 ALA C 2.458 H A 0068 ARG CA
H A 0067 ALA C 3.038 H A 0068 ARG C
H A 0067 ALA C 3.718 H A 0068 ARG CB
H A 0068 ARG C 2.432 H A 0069 GLU CA
H A 0068 ARG C 3.120 H A 0069 GLU C
H A 0068 ARG C 3.644 H A 0069 GLU CB
H A 0069 GLU C 2.472 H A 0070 LEU CA
H A 0069 GLU C 2.958 H A 0070 LEU C
H A 0069 GLU C 3.709 H A 0070 LEU CB
H A 0070 LEU C 2.459 H A 0071 SER CA
H A 0070 LEU C 2.909 H A 0071 SER C
H A 0070 LEU C 3.770 H A 0071 SER CB
H A 0070 LEU CD1 3.614 H A 0074 PHE CE2
H A 0071 SER C 2.440 H A 0072 LYS CA
H A 0071 SER C 2.991 H A 0072 LYS C
H A 0071 SER C 3.741 H A 0072 LYS CB
H A 0072 LYS C 2.461 H A 0073 THR CA
H A 0072 LYS C 3.054 H A 0073 THR C
H A 0072 LYS C 3.731 H A 0073 THR CB
H A 0073 THR C 2.480 H A 0074 PHE CA
H A 0073 THR C 3.409 H A 0074 PHE C
H A 0073 THR C 3.617 H A 0074 PHE CB
H A 0074 PHE C 2.422 E A 0075 ILE CA
H A 0074 PHE C 2.967 E A 0075 ILE C
H A 0074 PHE C 3.726 E A 0075 ILE CB
E A 0075 ILE C 2.435 E A 0076 ILE CA
E A 0075 ILE C 3.370 E A 0076 ILE C
E A 0075 ILE C 3.545 E A 0076 ILE CB
E A 0075 ILE C 3.735 E A 0076 ILE CG2
E A 0076 ILE C 2.439 E A 0077 GLY CA
E A 0076 ILE C 3.694 E A 0077 GLY C
E A 0077 GLY CA 3.791 E A 0078 GLU CA
E A 0077 GLY C 2.456 E A 0078 GLU CA
E A 0077 GLY C 3.533 E A 0078 GLU C
E A 0077 GLY C 3.468 E A 0078 GLU CB
E A 0078 GLU CA 3.773 E A 0079 LEU CA
E A 0078 GLU C 2.439 E A 0079 LEU CA
E A 0078 GLU C 3.052 E A 0079 LEU C
E A 0078 GLU C 3.667 E A 0079 LEU CB
E A 0079 LEU C 2.449 C A 0080 HIS CA
E A 0079 LEU C 3.000 C A 0080 HIS C
E A 0079 LEU C 3.714 C A 0080 HIS CB
E A 0079 LEU CG 3.769 C A 0083 ASP CB
E A 0079 LEU CD1 3.712 C A 0083 ASP CG
E A 0079 LEU CD2 3.562 C A 0083 ASP CG
C A 0080 HIS CA 2.961 C A 0081 PRO CD
C A 0080 HIS C 2.457 C A 0081 PRO CA
C A 0080 HIS C 3.102 C A 0081 PRO C
C A 0080 HIS C 3.674 C A 0081 PRO CB
C A 0080 HIS C 3.667 C A 0081 PRO CG
C A 0080 HIS C 2.505 C A 0081 PRO CD
C A 0080 HIS CB 3.790 C A 0081 PRO CD
C A 0080 HIS CG 3.551 C A 0081 PRO CD
C A 0081 PRO C 2.464 C A 0082 ASP CA
C A 0081 PRO C 3.180 C A 0082 ASP C
C A 0081 PRO C 3.700 C A 0082 ASP CB
C A 0082 ASP C 2.458 C A 0083 ASP CA
C A 0082 ASP C 3.124 C A 0083 ASP C
C A 0082 ASP C 3.709 C A 0083 ASP CB
C A 0083 ASP C 2.463 C A 0084 ARG CA
C A 0083 ASP C 3.194 C A 0084 ARG C
C A 0083 ASP C 3.705 C A 0084 ARG CB
CHARGE_ATTR 2.00 12.00 101
H A 0010 GLU OE1 5.984 H A 0014 LYS NZ
H A 0010 GLU OE2 3.909 H A 0014 LYS NZ
H A 0010 GLU OE1 11.24 H A 0015 HIS NE2
H A 0010 GLU OE2 11.48 H A 0015 HIS ND1
H A 0010 GLU OE2 9.977 H A 0015 HIS NE2
H A 0010 GLU OE1 11.89 C A 0080 HIS ND1
H A 0011 GLU OE1 9.319 C A 0005 LYS NZ
H A 0011 GLU OE2 10.00 C A 0005 LYS NZ
H A 0011 GLU OE1 6.163 H A 0014 LYS NZ
H A 0011 GLU OE2 4.088 H A 0014 LYS NZ
H A 0011 GLU OE1 10.32 H A 0015 HIS ND1
H A 0011 GLU OE1 8.597 H A 0015 HIS NE2
H A 0011 GLU OE2 9.332 H A 0015 HIS ND1
H A 0011 GLU OE2 7.407 H A 0015 HIS NE2
H A 0011 GLU OE1 7.696 C A 0080 HIS ND1
H A 0011 GLU OE1 7.489 C A 0080 HIS NE2
H A 0011 GLU OE2 9.928 C A 0080 HIS ND1
H A 0011 GLU OE2 9.671 C A 0080 HIS NE2
E A 0031 ASP OD1 6.770 H A 0015 HIS ND1
E A 0031 ASP OD1 8.914 H A 0015 HIS NE2
E A 0031 ASP OD2 5.182 H A 0015 HIS ND1
E A 0031 ASP OD2 7.168 H A 0015 HIS NE2
E A 0031 ASP OD2 11.47 C A 0019 LYS NZ
E A 0031 ASP OD1 9.892 H A 0034 LYS NZ
E A 0031 ASP OD2 10.40 H A 0034 LYS NZ
E A 0031 ASP OD1 11.87 H A 0047 ARG NH1
C A 0037 GLU OE1 10.47 H A 0034 LYS NZ
C A 0037 GLU OE2 11.80 H A 0034 LYS NZ
C A 0037 GLU OE1 11.64 C A 0039 HIS ND1
C A 0037 GLU OE1 10.26 H A 0047 ARG NH1
C A 0037 GLU OE1 11.32 H A 0047 ARG NH2
C A 0037 GLU OE2 8.806 H A 0047 ARG NH1
C A 0037 GLU OE2 9.707 H A 0047 ARG NH2
C A 0038 GLU OE1 8.437 H A 0034 LYS NZ
C A 0038 GLU OE2 8.831 H A 0034 LYS NZ
C A 0038 GLU OE1 10.21 C A 0039 HIS ND1
C A 0038 GLU OE1 10.83 C A 0039 HIS NE2
C A 0038 GLU OE2 11.35 C A 0039 HIS ND1
H A 0043 GLU OE1 8.900 C A 0039 HIS ND1
H A 0043 GLU OE1 11.00 C A 0039 HIS NE2
H A 0043 GLU OE2 10.24 C A 0039 HIS ND1
H A 0043 GLU OE1 2.600 H A 0047 ARG NH1
H A 0043 GLU OE1 4.826 H A 0047 ARG NH2
H A 0043 GLU OE2 3.546 H A 0047 ARG NH1
H A 0043 GLU OE2 5.155 H A 0047 ARG NH2
C A 0053 ASP OD1 7.464 C A 0026 HIS ND1
C A 0053 ASP OD1 7.855 C A 0026 HIS NE2
C A 0053 ASP OD2 8.824 C A 0026 HIS ND1
C A 0053 ASP OD2 9.383 C A 0026 HIS NE2
C A 0053 ASP OD1 11.98 C A 0063 HIS ND1
H A 0059 GLU OE1 4.415 C A 0026 HIS ND1
H A 0059 GLU OE1 4.540 C A 0026 HIS NE2
H A 0059 GLU OE2 5.787 C A 0026 HIS ND1
H A 0059 GLU OE2 6.156 C A 0026 HIS NE2
H A 0059 GLU OE1 9.237 C A 0063 HIS ND1
H A 0059 GLU OE1 11.30 C A 0063 HIS NE2
H A 0059 GLU OE2 10.22 C A 0063 HIS ND1
H A 0059 GLU OE1 9.109 H A 0068 ARG NH1
H A 0059 GLU OE1 6.818 H A 0068 ARG NH2
H A 0059 GLU OE2 11.31 H A 0068 ARG NH1
H A 0059 GLU OE2 9.027 H A 0068 ARG NH2
H A 0066 ASP OD2 11.92 C A 0039 HIS ND1
H A 0066 ASP OD2 10.33 C A 0039 HIS NE2
H A 0066 ASP OD1 11.66 C A 0063 HIS NE2
H A 0066 ASP OD2 10.45 C A 0063 HIS ND1
H A 0066 ASP OD2 9.525 C A 0063 HIS NE2
H A 0066 ASP OD2 11.88 H A 0068 ARG NH1
H A 0069 GLU OE2 11.76 C A 0026 HIS NE2
H A 0069 GLU OE2 10.55 E A 0028 LYS NZ
H A 0069 GLU OE1 9.998 H A 0068 ARG NH1
H A 0069 GLU OE1 11.56 H A 0068 ARG NH2
H A 0069 GLU OE2 8.217 H A 0068 ARG NH1
H A 0069 GLU OE2 9.580 H A 0068 ARG NH2
H A 0069 GLU OE1 4.890 H A 0072 LYS NZ
H A 0069 GLU OE2 3.470 H A 0072 LYS NZ
E A 0078 GLU OE1 11.43 C A 0026 HIS ND1
E A 0078 GLU OE2 10.58 C A 0026 HIS ND1
E A 0078 GLU OE2 11.47 C A 0026 HIS NE2
E A 0078 GLU OE1 4.720 E A 0028 LYS NZ
E A 0078 GLU OE2 2.564 E A 0028 LYS NZ
E A 0078 GLU OE2 10.01 H A 0072 LYS NZ
E A 0078 GLU OE1 10.33 C A 0080 HIS ND1
E A 0078 GLU OE1 10.69 C A 0080 HIS NE2
E A 0078 GLU OE1 3.495 C A 0084 ARG NH1
E A 0078 GLU OE1 2.666 C A 0084 ARG NH2
E A 0078 GLU OE2 5.187 C A 0084 ARG NH1
E A 0078 GLU OE2 4.793 C A 0084 ARG NH2
C A 0082 ASP OD1 5.275 C A 0080 HIS ND1
C A 0082 ASP OD1 6.999 C A 0080 HIS NE2
C A 0082 ASP OD2 4.994 C A 0080 HIS ND1
C A 0082 ASP OD2 6.853 C A 0080 HIS NE2
C A 0082 ASP OD1 11.52 C A 0084 ARG NH2
C A 0082 ASP OD2 11.38 C A 0084 ARG NH2
C A 0083 ASP OD1 8.562 C A 0080 HIS ND1
C A 0083 ASP OD1 10.49 C A 0080 HIS NE2
C A 0083 ASP OD2 8.190 C A 0080 HIS ND1
C A 0083 ASP OD2 10.06 C A 0080 HIS NE2
C A 0083 ASP OD1 8.412 C A 0084 ARG NH1
C A 0083 ASP OD1 7.653 C A 0084 ARG NH2
C A 0083 ASP OD2 10.15 C A 0084 ARG NH1
C A 0083 ASP OD2 9.038 C A 0084 ARG NH2
CHARGE_REPU 2.00 12.00 84
C A 0005 LYS NZ 11.71 H A 0015 HIS ND1
C A 0005 LYS NZ 10.53 H A 0015 HIS NE2
C A 0005 LYS NZ 11.06 C A 0080 HIS ND1
C A 0005 LYS NZ 9.110 C A 0080 HIS NE2
H A 0010 GLU OE1 6.808 H A 0011 GLU OE1
H A 0010 GLU OE1 6.306 H A 0011 GLU OE2
H A 0010 GLU OE2 6.517 H A 0011 GLU OE1
H A 0010 GLU OE2 5.315 H A 0011 GLU OE2
H A 0010 GLU OE1 10.02 C A 0082 ASP OD2
H A 0010 GLU OE2 11.53 C A 0082 ASP OD2
H A 0010 GLU OE1 11.58 C A 0083 ASP OD1
H A 0010 GLU OE1 9.368 C A 0083 ASP OD2
H A 0010 GLU OE2 11.19 C A 0083 ASP OD2
H A 0011 GLU OE1 10.42 C A 0082 ASP OD1
H A 0011 GLU OE1 8.737 C A 0082 ASP OD2
H A 0011 GLU OE2 10.63 C A 0082 ASP OD2
H A 0011 GLU OE1 11.78 C A 0083 ASP OD1
H A 0011 GLU OE1 10.06 C A 0083 ASP OD2
H A 0011 GLU OE2 11.46 C A 0083 ASP OD2
H A 0014 LYS NZ 10.37 H A 0015 HIS ND1
H A 0014 LYS NZ 8.420 H A 0015 HIS NE2
H A 0015 HIS ND1 9.933 C A 0019 LYS NZ
H A 0015 HIS NE2 10.07 C A 0019 LYS NZ
C A 0026 HIS ND1 9.247 E A 0028 LYS NZ
C A 0026 HIS NE2 9.881 E A 0028 LYS NZ
C A 0026 HIS ND1 10.07 C A 0063 HIS ND1
C A 0026 HIS ND1 11.69 C A 0063 HIS NE2
C A 0026 HIS NE2 7.940 C A 0063 HIS ND1
C A 0026 HIS NE2 9.520 C A 0063 HIS NE2
C A 0026 HIS ND1 8.869 H A 0068 ARG NH1
C A 0026 HIS ND1 6.796 H A 0068 ARG NH2
C A 0026 HIS NE2 7.891 H A 0068 ARG NH1
C A 0026 HIS NE2 5.935 H A 0068 ARG NH2
C A 0026 HIS ND1 11.98 H A 0072 LYS NZ
C A 0026 HIS NE2 11.47 H A 0072 LYS NZ
C A 0026 HIS ND1 11.69 C A 0084 ARG NH1
C A 0026 HIS ND1 11.93 C A 0084 ARG NH2
E A 0028 LYS NZ 7.625 H A 0072 LYS NZ
E A 0028 LYS NZ 7.219 C A 0084 ARG NH1
E A 0028 LYS NZ 7.078 C A 0084 ARG NH2
E A 0031 ASP OD1 10.43 C A 0038 GLU OE1
C A 0037 GLU OE1 7.868 C A 0038 GLU OE1
C A 0037 GLU OE1 7.044 C A 0038 GLU OE2
C A 0037 GLU OE2 9.814 C A 0038 GLU OE1
C A 0037 GLU OE2 9.191 C A 0038 GLU OE2
C A 0037 GLU OE1 9.472 H A 0043 GLU OE1
C A 0037 GLU OE1 8.538 H A 0043 GLU OE2
C A 0037 GLU OE2 8.149 H A 0043 GLU OE1
C A 0037 GLU OE2 6.867 H A 0043 GLU OE2
C A 0038 GLU OE1 11.90 H A 0066 ASP OD2
C A 0039 HIS ND1 10.84 H A 0047 ARG NH1
C A 0039 HIS ND1 8.187 C A 0063 HIS ND1
C A 0039 HIS ND1 6.120 C A 0063 HIS NE2
C A 0039 HIS NE2 6.127 C A 0063 HIS ND1
C A 0039 HIS NE2 3.977 C A 0063 HIS NE2
C A 0053 ASP OD1 8.693 H A 0059 GLU OE1
C A 0053 ASP OD1 7.961 H A 0059 GLU OE2
C A 0053 ASP OD2 9.216 H A 0059 GLU OE1
C A 0053 ASP OD2 7.969 H A 0059 GLU OE2
C A 0053 ASP OD1 9.031 C A 0083 ASP OD1
C A 0053 ASP OD1 9.588 C A 0083 ASP OD2
C A 0053 ASP OD2 9.326 C A 0083 ASP OD1
C A 0053 ASP OD2 9.824 C A 0083 ASP OD2
C A 0063 HIS ND1 10.05 H A 0068 ARG NH1
C A 0063 HIS ND1 9.214 H A 0068 ARG NH2
C A 0063 HIS NE2 11.55 H A 0068 ARG NH1
C A 0063 HIS NE2 10.97 H A 0068 ARG NH2
H A 0066 ASP OD1 8.850 H A 0069 GLU OE1
H A 0066 ASP OD1 9.582 H A 0069 GLU OE2
H A 0066 ASP OD2 9.573 H A 0069 GLU OE1
H A 0066 ASP OD2 9.877 H A 0069 GLU OE2
H A 0068 ARG NH1 9.389 H A 0072 LYS NZ
H A 0068 ARG NH2 10.23 H A 0072 LYS NZ
E A 0078 GLU OE1 10.03 C A 0083 ASP OD1
E A 0078 GLU OE1 11.35 C A 0083 ASP OD2
E A 0078 GLU OE2 11.72 C A 0083 ASP OD1
C A 0080 HIS ND1 9.821 C A 0084 ARG NH1
C A 0080 HIS ND1 8.354 C A 0084 ARG NH2
C A 0080 HIS NE2 10.77 C A 0084 ARG NH1
C A 0080 HIS NE2 9.159 C A 0084 ARG NH2
C A 0082 ASP OD1 9.073 C A 0083 ASP OD1
C A 0082 ASP OD1 8.705 C A 0083 ASP OD2
C A 0082 ASP OD2 7.927 C A 0083 ASP OD1
C A 0082 ASP OD2 7.102 C A 0083 ASP OD2
HB_MM 2.00 3.20 141
C A 0004 VAL N 2.261 C A 0003 ALA O
C A 0005 LYS N 2.244 C A 0004 VAL O
E A 0006 TYR N 2.251 C A 0005 LYS O
E A 0007 TYR N 2.258 E A 0006 TYR O
E A 0007 TYR N 2.868 E A 0078 GLU O
H A 0008 THR N 2.253 E A 0007 TYR O
H A 0009 LEU N 2.252 H A 0008 THR O
H A 0010 GLU N 3.198 H A 0008 THR O
H A 0010 GLU N 2.251 H A 0009 LEU O
H A 0011 GLU N 2.243 H A 0010 GLU O
H A 0012 ILE N 2.892 H A 0008 THR O
H A 0012 ILE N 2.246 H A 0011 GLU O
H A 0013 GLN N 2.718 H A 0009 LEU O
H A 0013 GLN N 2.960 H A 0010 GLU O
H A 0013 GLN N 2.245 H A 0012 ILE O
H A 0014 LYS N 3.026 H A 0010 GLU O
H A 0014 LYS N 2.231 H A 0013 GLN O
H A 0015 HIS N 2.846 H A 0012 ILE O
H A 0015 HIS N 2.860 H A 0013 GLN O
H A 0015 HIS N 2.244 H A 0014 LYS O
E A 0016 ASN N 2.264 H A 0015 HIS O
E A 0016 ASN N 3.134 E A 0020 SER O
E A 0017 ASN N 2.244 E A 0016 ASN O
C A 0018 SER N 2.283 E A 0017 ASN O
C A 0019 LYS N 2.609 E A 0017 ASN O
C A 0019 LYS N 2.228 C A 0018 SER O
E A 0020 SER N 3.102 E A 0017 ASN O
E A 0020 SER N 2.257 C A 0019 LYS O
E A 0021 THR N 2.253 E A 0020 SER O
E A 0022 TRP N 2.860 H A 0015 HIS O
E A 0022 TRP N 2.257 E A 0021 THR O
E A 0023 LEU N 2.244 E A 0022 TRP O
E A 0024 ILE N 2.274 E A 0023 LEU O
E A 0024 ILE N 2.827 C A 0052 GLY O
E A 0025 LEU N 2.262 E A 0024 ILE O
E A 0025 LEU N 2.893 E A 0028 LYS O
C A 0026 HIS N 2.244 E A 0025 LEU O
C A 0027 TYR N 2.254 C A 0026 HIS O
E A 0028 LYS N 2.859 E A 0025 LEU O
E A 0028 LYS N 3.141 C A 0026 HIS O
E A 0028 LYS N 2.244 C A 0027 TYR O
E A 0029 VAL N 2.263 E A 0028 LYS O
E A 0029 VAL N 2.817 E A 0077 GLY O
E A 0030 TYR N 3.029 E A 0023 LEU O
E A 0030 TYR N 2.267 E A 0029 VAL O
E A 0031 ASP N 2.262 E A 0030 TYR O
C A 0032 LEU N 2.251 E A 0031 ASP O
H A 0033 THR N 2.237 C A 0032 LEU O
H A 0034 LYS N 2.241 H A 0033 THR O
H A 0035 PHE N 2.792 C A 0032 LEU O
H A 0035 PHE N 2.254 H A 0034 LYS O
H A 0036 LEU N 2.230 H A 0035 PHE O
C A 0037 GLU N 2.248 H A 0036 LEU O
C A 0038 GLU N 3.092 H A 0035 PHE O
C A 0038 GLU N 2.251 C A 0037 GLU O
C A 0039 HIS N 2.707 H A 0035 PHE O
C A 0039 HIS N 2.246 C A 0038 GLU O
C A 0040 PRO N 2.244 C A 0039 HIS O
C A 0041 GLY N 2.752 C A 0039 HIS O
C A 0041 GLY N 2.247 C A 0040 PRO O
H A 0042 GLY N 2.251 C A 0041 GLY O
H A 0043 GLU N 2.269 H A 0042 GLY O
H A 0044 ALA N 2.253 H A 0043 GLU O
H A 0045 VAL N 2.242 H A 0044 ALA O
H A 0046 LEU N 3.108 H A 0043 GLU O
H A 0046 LEU N 2.258 H A 0045 VAL O
H A 0047 ARG N 2.767 H A 0043 GLU O
H A 0047 ARG N 3.170 H A 0044 ALA O
H A 0047 ARG N 2.249 H A 0046 LEU O
H A 0048 ALA N 2.798 H A 0044 ALA O
H A 0048 ALA N 2.246 H A 0047 ARG O
H A 0049 GLN N 3.014 H A 0045 VAL O
H A 0049 GLN N 2.251 H A 0048 ALA O
H A 0050 ALA N 2.930 H A 0046 LEU O
H A 0050 ALA N 2.908 H A 0047 ARG O
H A 0050 ALA N 2.239 H A 0049 GLN O
C A 0051 GLY N 2.788 E A 0022 TRP O
C A 0051 GLY N 2.245 H A 0050 ALA O
C A 0052 GLY N 2.222 C A 0051 GLY O
C A 0053 ASP N 2.270 C A 0052 GLY O
H A 0054 ALA N 2.868 E A 0024 ILE O
H A 0054 ALA N 3.093 C A 0052 GLY O
H A 0054 ALA N 2.255 C A 0053 ASP O
H A 0055 THR N 2.249 H A 0054 ALA O
H A 0056 ALA N 2.257 H A 0055 THR O
H A 0057 ASN N 3.193 H A 0055 THR O
H A 0057 ASN N 2.239 H A 0056 ALA O
H A 0058 PHE N 2.799 H A 0054 ALA O
H A 0058 PHE N 2.995 H A 0055 THR O
H A 0058 PHE N 2.251 H A 0057 ASN O
H A 0059 GLU N 2.884 H A 0055 THR O
H A 0059 GLU N 2.260 H A 0058 PHE O
H A 0060 ALA N 2.746 H A 0056 ALA O
H A 0060 ALA N 2.248 H A 0059 GLU O
H A 0061 VAL N 2.892 H A 0057 ASN O
H A 0061 VAL N 2.251 H A 0060 ALA O
H A 0062 GLY N 2.872 H A 0058 PHE O
H A 0062 GLY N 2.943 H A 0059 GLU O
H A 0062 GLY N 2.254 H A 0061 VAL O
C A 0063 HIS N 2.247 H A 0062 GLY O
H A 0064 SER N 2.258 C A 0063 HIS O
H A 0065 THR N 2.241 H A 0064 SER O
H A 0066 ASP N 2.253 H A 0065 THR O
H A 0067 ALA N 3.108 H A 0064 SER O
H A 0067 ALA N 2.240 H A 0066 ASP O
H A 0068 ARG N 2.792 H A 0064 SER O
H A 0068 ARG N 3.049 H A 0065 THR O
H A 0068 ARG N 2.244 H A 0067 ALA O
H A 0069 GLU N 2.799 H A 0065 THR O
H A 0069 GLU N 2.960 H A 0066 ASP O
H A 0069 GLU N 2.236 H A 0068 ARG O
H A 0070 LEU N 2.702 H A 0066 ASP O
H A 0070 LEU N 2.243 H A 0069 GLU O
H A 0071 SER N 2.835 H A 0067 ALA O
H A 0071 SER N 2.241 H A 0070 LEU O
H A 0072 LYS N 3.089 H A 0069 GLU O
H A 0072 LYS N 3.051 H A 0070 LEU O
H A 0072 LYS N 2.246 H A 0071 SER O
H A 0073 THR N 2.730 H A 0070 LEU O
H A 0073 THR N 3.104 H A 0071 SER O
H A 0073 THR N 2.239 H A 0072 LYS O
H A 0074 PHE N 2.726 H A 0071 SER O
H A 0074 PHE N 3.181 H A 0072 LYS O
H A 0074 PHE N 2.249 H A 0073 THR O
E A 0075 ILE N 3.024 H A 0071 SER O
E A 0075 ILE N 2.894 H A 0072 LYS O
E A 0075 ILE N 2.244 H A 0074 PHE O
E A 0076 ILE N 3.071 E A 0029 VAL O
E A 0076 ILE N 2.247 E A 0075 ILE O
E A 0077 GLY N 2.244 E A 0076 ILE O
E A 0078 GLU N 2.261 E A 0077 GLY O
E A 0079 LEU N 2.785 C A 0027 TYR O
E A 0079 LEU N 2.248 E A 0078 GLU O
C A 0080 HIS N 2.809 E A 0007 TYR O
C A 0080 HIS N 2.245 E A 0079 LEU O
C A 0081 PRO N 2.247 C A 0080 HIS O
C A 0082 ASP N 2.973 C A 0080 HIS O
C A 0082 ASP N 2.249 C A 0081 PRO O
C A 0083 ASP N 2.934 C A 0080 HIS O
C A 0083 ASP N 2.253 C A 0082 ASP O
C A 0084 ARG N 2.266 C A 0083 ASP O
HB_MS 2.00 3.20 18
H A 0011 GLU N 2.849 H A 0008 THR OG1
H A 0013 GLN O 2.644 E A 0016 ASN ND2
C A 0018 SER N 2.773 E A 0017 ASN OD1
C A 0019 LYS O 2.727 H A 0033 THR OG1
E A 0021 THR N 2.810 H A 0033 THR OG1
C A 0026 HIS N 2.818 H A 0055 THR OG1
C A 0032 LEU N 2.945 E A 0031 ASP OD1
H A 0033 THR N 2.720 E A 0031 ASP OD1
H A 0042 GLY O 3.072 C A 0039 HIS ND1
H A 0054 ALA N 3.111 C A 0053 ASP OD1
H A 0055 THR N 2.690 C A 0053 ASP OD1
H A 0058 PHE O 2.919 C A 0063 HIS ND1
H A 0062 GLY O 3.048 C A 0063 HIS ND1
H A 0066 ASP N 3.015 H A 0065 THR OG1
H A 0068 ARG O 2.711 H A 0071 SER OG
H A 0072 LYS N 2.930 H A 0071 SER OG
E A 0079 LEU O 2.674 C A 0084 ARG NH2
C A 0084 ARG N 3.192 C A 0083 ASP OD1
HB_SS 2.00 3.20 4
H A 0011 GLU OE1 2.582 H A 0008 THR OG1
C A 0018 SER OG 2.910 E A 0017 ASN OD1
E A 0031 ASP OD2 2.639 E A 0022 TRP NE1
C A 0053 ASP OD1 2.598 H A 0055 THR OG1
AROMATIC 0.00 8.00 5
H A 0058 PHE 4.054 C A 0063 HIS
H A 0068 ARG 6.565 C A 0026 HIS
C A 0084 ARG 5.497 E A 0006 TYR
C A 0005 LYS 6.941 E A 0007 TYR
C A 0084 ARG 5.717 C A 0027 TYR