Complet list of 1a2s con file
Complete list of 1a2s.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 368
C A 0001 GLU C 2.527 C A 0002 ALA CA
C A 0001 GLU C 3.587 C A 0002 ALA C
C A 0001 GLU C 2.946 C A 0002 ALA CB
C A 0002 ALA CA 3.776 C A 0003 ASP CA
C A 0002 ALA C 2.458 C A 0003 ASP CA
C A 0002 ALA C 3.528 C A 0003 ASP C
C A 0002 ALA C 3.421 C A 0003 ASP CB
C A 0002 ALA CB 3.633 H A 0075 GLY CA
C A 0002 ALA CB 3.173 H A 0078 ALA CB
C A 0003 ASP C 2.480 H A 0004 LEU CA
C A 0003 ASP C 2.976 H A 0004 LEU C
C A 0003 ASP C 3.725 H A 0004 LEU CB
H A 0004 LEU C 2.459 H A 0005 ALA CA
H A 0004 LEU C 2.926 H A 0005 ALA C
H A 0004 LEU C 3.713 H A 0005 ALA CB
H A 0004 LEU CD1 3.779 H A 0079 TYR CA
H A 0004 LEU CD1 3.765 H A 0079 TYR CB
H A 0004 LEU CD1 3.324 H A 0079 TYR CD1
H A 0005 ALA C 2.431 H A 0006 LEU CA
H A 0005 ALA C 3.065 H A 0006 LEU C
H A 0005 ALA C 3.698 H A 0006 LEU CB
H A 0006 LEU C 2.463 H A 0007 GLY CA
H A 0006 LEU C 2.977 H A 0007 GLY C
H A 0006 LEU CD2 3.704 H A 0072 GLU CG
H A 0007 GLY C 2.417 H A 0008 LYS CA
H A 0007 GLY C 3.060 H A 0008 LYS C
H A 0007 GLY C 3.689 H A 0008 LYS CB
H A 0007 GLY CA 3.601 H A 0075 GLY C
H A 0008 LYS C 2.447 H A 0009 ALA CA
H A 0008 LYS C 2.960 H A 0009 ALA C
H A 0008 LYS C 3.737 H A 0009 ALA CB
H A 0008 LYS CA 3.628 H A 0079 TYR CD2
H A 0008 LYS CA 3.712 H A 0079 TYR CE2
H A 0008 LYS CB 3.782 H A 0079 TYR CD2
H A 0008 LYS CB 3.571 H A 0079 TYR CE2
H A 0009 ALA C 2.443 H A 0010 VAL CA
H A 0009 ALA C 2.988 H A 0010 VAL C
H A 0009 ALA C 3.743 H A 0010 VAL CB
H A 0010 VAL C 2.466 H A 0011 PHE CA
H A 0010 VAL C 2.929 H A 0011 PHE C
H A 0010 VAL C 3.728 H A 0011 PHE CB
H A 0010 VAL CG1 3.557 H A 0014 ASN CG
H A 0010 VAL CG1 3.767 C A 0068 LEU CD2
H A 0010 VAL CG2 3.619 H A 0072 GLU CG
H A 0010 VAL CG2 3.249 H A 0072 GLU CD
H A 0011 PHE C 2.484 H A 0012 ASP CA
H A 0011 PHE C 2.991 H A 0012 ASP C
H A 0011 PHE C 3.714 H A 0012 ASP CB
H A 0011 PHE CD2 3.415 C A 0015 CYS CB
H A 0011 PHE CE2 3.562 C A 0015 CYS CB
H A 0011 PHE CE1 3.754 H A 0016 ALA CA
H A 0011 PHE CE1 3.744 H A 0016 ALA CB
H A 0011 PHE CB 3.788 H A 0079 TYR CD2
H A 0011 PHE CB 3.559 H A 0079 TYR CE2
H A 0011 PHE CG 3.478 H A 0079 TYR CE2
H A 0011 PHE CD2 3.705 H A 0080 VAL CG1
H A 0011 PHE CE2 3.645 H A 0080 VAL CG1
H A 0011 PHE CE2 3.734 C A 0089 TRP CH2
H A 0011 PHE CZ 3.603 C A 0089 TRP CH2
H A 0012 ASP C 2.450 H A 0013 GLY CA
H A 0012 ASP C 3.310 H A 0013 GLY C
H A 0013 GLY C 2.449 H A 0014 ASN CA
H A 0013 GLY C 3.370 H A 0014 ASN C
H A 0013 GLY C 3.619 H A 0014 ASN CB
H A 0014 ASN C 2.456 C A 0015 CYS CA
H A 0014 ASN C 3.338 C A 0015 CYS C
H A 0014 ASN C 3.619 C A 0015 CYS CB
H A 0014 ASN CB 3.781 C A 0064 TRP CH2
C A 0015 CYS C 2.475 H A 0016 ALA CA
C A 0015 CYS C 3.000 H A 0016 ALA C
C A 0015 CYS C 3.730 H A 0016 ALA CB
H A 0016 ALA CA 3.799 H A 0017 ALA CA
H A 0016 ALA C 2.453 H A 0017 ALA CA
H A 0016 ALA C 2.963 H A 0017 ALA C
H A 0016 ALA C 3.720 H A 0017 ALA CB
H A 0017 ALA C 2.456 H A 0018 CYS CA
H A 0017 ALA C 3.348 H A 0018 CYS C
H A 0017 ALA C 3.568 H A 0018 CYS CB
H A 0018 CYS C 2.450 H A 0019 HIS CA
H A 0018 CYS C 3.403 H A 0019 HIS C
H A 0018 CYS C 3.604 H A 0019 HIS CB
H A 0018 CYS C 3.739 C A 0024 ASN CA
H A 0019 HIS C 2.472 C A 0020 ALA CA
H A 0019 HIS C 2.942 C A 0020 ALA C
H A 0019 HIS C 3.720 C A 0020 ALA CB
H A 0019 HIS CA 3.629 C A 0023 GLY C
H A 0019 HIS CB 3.525 C A 0032 LEU CD1
H A 0019 HIS CE1 3.714 C A 0032 LEU CD2
C A 0020 ALA C 2.464 C A 0021 GLY CA
C A 0020 ALA C 3.094 C A 0021 GLY C
C A 0021 GLY C 2.439 C A 0022 GLY CA
C A 0021 GLY C 3.053 C A 0022 GLY C
C A 0021 GLY C 3.436 C A 0089 TRP CE3
C A 0022 GLY C 2.463 C A 0023 GLY CA
C A 0022 GLY C 3.507 C A 0023 GLY C
C A 0022 GLY CA 3.509 C A 0089 TRP CD2
C A 0022 GLY CA 3.580 C A 0089 TRP CE2
C A 0022 GLY CA 3.737 C A 0089 TRP CE3
C A 0023 GLY C 2.474 C A 0024 ASN CA
C A 0023 GLY C 3.664 C A 0024 ASN C
C A 0023 GLY C 3.203 C A 0024 ASN CB
C A 0024 ASN C 2.469 C A 0025 ASN CA
C A 0024 ASN C 3.482 C A 0025 ASN C
C A 0024 ASN C 3.474 C A 0025 ASN CB
C A 0024 ASN CB 3.661 C A 0027 ILE C
C A 0024 ASN CG 3.707 C A 0027 ILE C
C A 0025 ASN C 2.458 C A 0026 VAL CA
C A 0025 ASN C 3.098 C A 0026 VAL C
C A 0025 ASN C 3.721 C A 0026 VAL CB
C A 0026 VAL C 2.470 C A 0027 ILE CA
C A 0026 VAL C 3.482 C A 0027 ILE C
C A 0026 VAL C 3.538 C A 0027 ILE CB
C A 0026 VAL C 3.631 C A 0027 ILE CG1
C A 0026 VAL C 3.798 C A 0028 PRO CD
C A 0027 ILE CA 2.962 C A 0028 PRO CD
C A 0027 ILE C 2.467 C A 0028 PRO CA
C A 0027 ILE C 3.193 C A 0028 PRO C
C A 0027 ILE C 3.640 C A 0028 PRO CB
C A 0027 ILE C 3.689 C A 0028 PRO CG
C A 0027 ILE C 2.494 C A 0028 PRO CD
C A 0027 ILE CG2 3.727 C A 0030 HIS CG
C A 0027 ILE CG2 3.358 C A 0030 HIS CD2
C A 0028 PRO C 2.493 C A 0029 ASP CA
C A 0028 PRO C 3.716 C A 0029 ASP C
C A 0028 PRO C 3.190 C A 0029 ASP CB
C A 0029 ASP C 2.477 C A 0030 HIS CA
C A 0029 ASP C 3.098 C A 0030 HIS C
C A 0029 ASP C 3.697 C A 0030 HIS CB
C A 0030 HIS C 2.471 C A 0031 THR CA
C A 0030 HIS C 3.265 C A 0031 THR C
C A 0030 HIS C 3.645 C A 0031 THR CB
C A 0030 HIS CG 3.747 H A 0040 PHE CG
C A 0030 HIS CG 3.497 H A 0040 PHE CD2
C A 0030 HIS CD2 3.622 H A 0040 PHE CG
C A 0030 HIS CD2 3.362 H A 0040 PHE CD2
C A 0030 HIS CD2 3.444 H A 0040 PHE CE2
C A 0030 HIS CD2 3.750 H A 0040 PHE CZ
C A 0030 HIS CE1 3.456 H A 0040 PHE CB
C A 0030 HIS CE1 3.375 H A 0040 PHE CG
C A 0030 HIS CE1 3.497 H A 0040 PHE CD1
C A 0031 THR C 2.477 C A 0032 LEU CA
C A 0031 THR C 3.654 C A 0032 LEU C
C A 0031 THR C 3.354 C A 0032 LEU CB
C A 0031 THR C 3.388 C A 0032 LEU CG
C A 0031 THR CB 3.775 C A 0033 GLN CG
C A 0032 LEU C 2.457 C A 0033 GLN CA
C A 0032 LEU C 3.414 C A 0033 GLN C
C A 0032 LEU C 3.578 C A 0033 GLN CB
C A 0032 LEU CD1 3.727 H A 0080 VAL CG1
C A 0032 LEU CB 3.701 C A 0089 TRP CZ2
C A 0032 LEU CD1 3.655 C A 0089 TRP CZ2
C A 0033 GLN C 2.437 H A 0034 LYS CA
C A 0033 GLN C 3.034 H A 0034 LYS C
C A 0033 GLN C 3.765 H A 0034 LYS CB
H A 0034 LYS C 2.451 H A 0035 ALA CA
H A 0034 LYS C 3.021 H A 0035 ALA C
H A 0034 LYS C 3.726 H A 0035 ALA CB
H A 0034 LYS CA 3.610 C A 0045 PHE CD2
H A 0034 LYS CA 3.501 C A 0045 PHE CE2
H A 0034 LYS CB 3.384 C A 0045 PHE CD2
H A 0034 LYS CB 3.311 C A 0045 PHE CE2
H A 0034 LYS CE 3.740 H A 0084 ALA C
H A 0035 ALA C 2.448 H A 0036 ALA CA
H A 0035 ALA C 3.172 H A 0036 ALA C
H A 0035 ALA C 3.682 H A 0036 ALA CB
H A 0036 ALA C 2.458 H A 0037 ILE CA
H A 0036 ALA C 2.948 H A 0037 ILE C
H A 0036 ALA C 3.749 H A 0037 ILE CB
H A 0036 ALA CA 3.623 H A 0040 PHE CD2
H A 0037 ILE C 2.479 H A 0038 GLU CA
H A 0037 ILE C 2.985 H A 0038 GLU C
H A 0037 ILE C 3.747 H A 0038 GLU CB
H A 0037 ILE CG2 3.513 C A 0041 LEU CB
H A 0037 ILE CB 3.662 C A 0045 PHE CD2
H A 0037 ILE CG2 3.758 C A 0045 PHE CD2
H A 0038 GLU C 2.448 H A 0039 GLN CA
H A 0038 GLU C 3.408 H A 0039 GLN C
H A 0038 GLU C 3.563 H A 0039 GLN CB
H A 0038 GLU CG 3.699 C A 0045 PHE CB
H A 0039 GLN C 2.443 H A 0040 PHE CA
H A 0039 GLN C 3.236 H A 0040 PHE C
H A 0039 GLN C 3.665 H A 0040 PHE CB
H A 0039 GLN CG 3.797 H A 0040 PHE CD1
H A 0040 PHE C 2.447 C A 0041 LEU CA
H A 0040 PHE C 3.151 C A 0041 LEU C
H A 0040 PHE C 3.667 C A 0041 LEU CB
C A 0041 LEU C 2.458 C A 0042 ASP CA
C A 0041 LEU C 2.986 C A 0042 ASP C
C A 0041 LEU C 3.726 C A 0042 ASP CB
C A 0041 LEU CD1 3.530 C A 0042 ASP C
C A 0042 ASP C 2.475 C A 0043 GLY CA
C A 0042 ASP C 3.568 C A 0043 GLY C
C A 0043 GLY C 2.459 C A 0044 GLY CA
C A 0043 GLY C 3.212 C A 0044 GLY C
C A 0044 GLY C 2.475 C A 0045 PHE CA
C A 0044 GLY C 3.114 C A 0045 PHE C
C A 0044 GLY C 3.734 C A 0045 PHE CB
C A 0045 PHE C 2.462 C A 0046 ASN CA
C A 0045 PHE C 3.625 C A 0046 ASN C
C A 0045 PHE C 3.368 C A 0046 ASN CB
C A 0045 PHE C 3.311 C A 0046 ASN CG
C A 0045 PHE CD1 3.649 H A 0081 TYR CE2
C A 0045 PHE CE1 3.326 H A 0081 TYR CE2
C A 0045 PHE CE1 3.407 H A 0081 TYR CZ
C A 0045 PHE CZ 3.772 H A 0084 ALA CB
C A 0046 ASN CA 3.794 H A 0047 ILE CA
C A 0046 ASN C 2.438 H A 0047 ILE CA
C A 0046 ASN C 3.003 H A 0047 ILE C
C A 0046 ASN C 3.749 H A 0047 ILE CB
C A 0046 ASN C 3.706 H A 0081 TYR CE2
H A 0047 ILE C 2.449 H A 0048 GLU CA
H A 0047 ILE C 2.989 H A 0048 GLU C
H A 0047 ILE C 3.707 H A 0048 GLU CB
H A 0047 ILE CG2 3.668 H A 0048 GLU CD
H A 0048 GLU C 2.447 H A 0049 ALA CA
H A 0048 GLU C 3.032 H A 0049 ALA C
H A 0048 GLU C 3.719 H A 0049 ALA CB
H A 0049 ALA C 2.473 H A 0050 ILE CA
H A 0049 ALA C 3.008 H A 0050 ILE C
H A 0049 ALA C 3.735 H A 0050 ILE CB
H A 0050 ILE C 2.455 H A 0051 VAL CA
H A 0050 ILE C 2.928 H A 0051 VAL C
H A 0050 ILE C 3.730 H A 0051 VAL CB
H A 0050 ILE CG2 3.154 H A 0077 ALA CB
H A 0050 ILE CD1 3.741 H A 0080 VAL CG2
H A 0051 VAL C 2.466 H A 0052 TYR CA
H A 0051 VAL C 3.226 H A 0052 TYR C
H A 0051 VAL C 3.675 H A 0052 TYR CB
H A 0051 VAL CG1 3.784 H A 0073 ILE CG2
H A 0052 TYR C 2.467 H A 0053 GLN CA
H A 0052 TYR C 3.468 H A 0053 GLN C
H A 0052 TYR C 3.486 H A 0053 GLN CB
H A 0053 GLN C 2.456 H A 0054 ILE CA
H A 0053 GLN C 2.931 H A 0054 ILE C
H A 0053 GLN C 3.733 H A 0054 ILE CB
H A 0053 GLN CG 3.748 C A 0058 LYS CB
H A 0053 GLN CD 3.167 C A 0058 LYS CB
H A 0054 ILE C 2.423 C A 0055 GLU CA
H A 0054 ILE C 3.088 C A 0055 GLU C
H A 0054 ILE C 3.693 C A 0055 GLU CB
H A 0054 ILE CD1 3.317 C A 0061 MET CE
H A 0054 ILE CD1 3.567 C A 0064 TRP CD1
H A 0054 ILE CG2 3.424 H A 0073 ILE CD1
C A 0055 GLU C 2.454 C A 0056 ASN CA
C A 0055 GLU C 3.208 C A 0056 ASN C
C A 0055 GLU C 3.697 C A 0056 ASN CB
C A 0056 ASN C 2.449 C A 0057 GLY CA
C A 0056 ASN C 3.233 C A 0057 GLY C
C A 0057 GLY C 2.458 C A 0058 LYS CA
C A 0057 GLY C 3.236 C A 0058 LYS C
C A 0057 GLY C 3.659 C A 0058 LYS CB
C A 0057 GLY CA 3.766 C A 0063 ALA CA
C A 0058 LYS C 2.446 C A 0059 GLY CA
C A 0058 LYS C 3.077 C A 0059 GLY C
C A 0059 GLY C 2.459 C A 0060 ALA CA
C A 0059 GLY C 3.191 C A 0060 ALA C
C A 0059 GLY C 3.685 C A 0060 ALA CB
C A 0060 ALA C 2.454 C A 0061 MET CA
C A 0060 ALA C 3.587 C A 0061 MET C
C A 0060 ALA C 3.302 C A 0061 MET CB
C A 0061 MET CA 2.934 C A 0062 PRO CD
C A 0061 MET C 2.448 C A 0062 PRO CA
C A 0061 MET C 2.992 C A 0062 PRO C
C A 0061 MET C 3.677 C A 0062 PRO CB
C A 0061 MET C 3.669 C A 0062 PRO CG
C A 0061 MET C 2.491 C A 0062 PRO CD
C A 0062 PRO C 2.466 C A 0063 ALA CA
C A 0062 PRO C 3.140 C A 0063 ALA C
C A 0062 PRO C 3.700 C A 0063 ALA CB
C A 0062 PRO CG 3.769 C A 0064 TRP CZ2
C A 0063 ALA C 2.452 C A 0064 TRP CA
C A 0063 ALA C 3.475 C A 0064 TRP C
C A 0063 ALA C 3.494 C A 0064 TRP CB
C A 0063 ALA C 3.669 C A 0064 TRP CG
C A 0063 ALA C 3.796 C A 0064 TRP CD1
C A 0064 TRP C 2.494 C A 0065 ASP CA
C A 0064 TRP C 3.106 C A 0065 ASP C
C A 0064 TRP C 3.742 C A 0065 ASP CB
C A 0064 TRP CE3 3.613 C A 0067 ARG CB
C A 0064 TRP CE3 3.559 C A 0068 LEU CD2
C A 0065 ASP C 2.466 C A 0066 GLY CA
C A 0065 ASP C 3.552 C A 0066 GLY C
C A 0066 GLY C 2.452 C A 0067 ARG CA
C A 0066 GLY C 3.586 C A 0067 ARG C
C A 0066 GLY C 3.430 C A 0067 ARG CB
C A 0066 GLY C 3.737 C A 0067 ARG CG
C A 0067 ARG CA 3.763 C A 0068 LEU CA
C A 0067 ARG C 2.446 C A 0068 LEU CA
C A 0067 ARG C 3.663 C A 0068 LEU C
C A 0067 ARG C 3.248 C A 0068 LEU CB
C A 0068 LEU C 2.545 C A 0069 ASP CA
C A 0068 LEU C 3.191 C A 0069 ASP C
C A 0068 LEU C 3.295 C A 0069 ASP CB
C A 0068 LEU CD1 3.250 H A 0072 GLU C
C A 0068 LEU CD1 3.675 H A 0072 GLU CB
C A 0068 LEU CB 3.778 H A 0073 ILE CD1
C A 0068 LEU CD1 3.766 H A 0073 ILE CA
C A 0068 LEU CD1 3.710 H A 0076 VAL CG1
C A 0069 ASP C 2.441 C A 0070 GLU CA
C A 0069 ASP C 3.015 C A 0070 GLU C
C A 0069 ASP C 3.734 C A 0070 GLU CB
C A 0069 ASP C 3.737 H A 0073 ILE CG1
C A 0070 GLU C 2.448 C A 0071 ASP CA
C A 0070 GLU C 3.125 C A 0071 ASP C
C A 0070 GLU C 3.720 C A 0071 ASP CB
C A 0071 ASP CA 3.791 H A 0072 GLU CA
C A 0071 ASP C 2.423 H A 0072 GLU CA
C A 0071 ASP C 3.083 H A 0072 GLU C
C A 0071 ASP C 3.701 H A 0072 GLU CB
H A 0072 GLU C 2.474 H A 0073 ILE CA
H A 0072 GLU C 2.906 H A 0073 ILE C
H A 0072 GLU C 3.770 H A 0073 ILE CB
H A 0073 ILE C 2.446 H A 0074 ALA CA
H A 0073 ILE C 3.101 H A 0074 ALA C
H A 0073 ILE C 3.694 H A 0074 ALA CB
H A 0074 ALA C 2.483 H A 0075 GLY CA
H A 0074 ALA C 3.000 H A 0075 GLY C
H A 0075 GLY CA 3.787 H A 0076 VAL CA
H A 0075 GLY C 2.427 H A 0076 VAL CA
H A 0075 GLY C 3.085 H A 0076 VAL C
H A 0075 GLY C 3.693 H A 0076 VAL CB
H A 0076 VAL C 2.456 H A 0077 ALA CA
H A 0076 VAL C 2.975 H A 0077 ALA C
H A 0076 VAL C 3.700 H A 0077 ALA CB
H A 0077 ALA CA 3.787 H A 0078 ALA CA
H A 0077 ALA C 2.425 H A 0078 ALA CA
H A 0077 ALA C 2.952 H A 0078 ALA C
H A 0077 ALA C 3.706 H A 0078 ALA CB
H A 0078 ALA C 2.447 H A 0079 TYR CA
H A 0078 ALA C 2.926 H A 0079 TYR C
H A 0078 ALA C 3.733 H A 0079 TYR CB
H A 0079 TYR C 2.428 H A 0080 VAL CA
H A 0079 TYR C 2.986 H A 0080 VAL C
H A 0079 TYR C 3.734 H A 0080 VAL CB
H A 0079 TYR CD1 3.682 H A 0083 GLN CG
H A 0079 TYR CE1 3.443 H A 0083 GLN CG
H A 0079 TYR CE1 3.452 H A 0083 GLN CD
H A 0080 VAL C 2.462 H A 0081 TYR CA
H A 0080 VAL C 3.043 H A 0081 TYR C
H A 0080 VAL C 3.721 H A 0081 TYR CB
H A 0081 TYR C 2.452 H A 0082 ASP CA
H A 0081 TYR C 2.970 H A 0082 ASP C
H A 0081 TYR C 3.758 H A 0082 ASP CB
H A 0082 ASP C 2.449 H A 0083 GLN CA
H A 0082 ASP C 2.923 H A 0083 GLN C
H A 0082 ASP C 3.752 H A 0083 GLN CB
H A 0083 GLN C 2.464 H A 0084 ALA CA
H A 0083 GLN C 2.936 H A 0084 ALA C
H A 0083 GLN C 3.718 H A 0084 ALA CB
H A 0083 GLN CB 3.671 C A 0089 TRP CG
H A 0083 GLN CB 3.703 C A 0089 TRP CD1
H A 0083 GLN CB 3.416 C A 0089 TRP CD2
H A 0083 GLN CB 3.365 C A 0089 TRP CE2
H A 0084 ALA C 2.460 H A 0085 ALA CA
H A 0084 ALA C 2.951 H A 0085 ALA C
H A 0084 ALA C 3.724 H A 0085 ALA CB
H A 0085 ALA C 2.484 H A 0086 GLY CA
H A 0085 ALA C 3.110 H A 0086 GLY C
H A 0086 GLY C 2.497 C A 0087 ASN CA
H A 0086 GLY C 3.249 C A 0087 ASN C
H A 0086 GLY C 3.050 C A 0087 ASN CB
H A 0086 GLY C 3.383 C A 0087 ASN CG
C A 0087 ASN C 2.472 C A 0088 LYS CA
C A 0087 ASN C 3.234 C A 0088 LYS C
C A 0087 ASN C 3.669 C A 0088 LYS CB
C A 0088 LYS C 2.440 C A 0089 TRP CA
C A 0088 LYS C 3.028 C A 0089 TRP C
C A 0088 LYS C 3.732 C A 0089 TRP CB
CHARGE_ATTR 2.00 12.00 30
C A 0003 ASP OD1 11.62 H A 0008 LYS NZ
H A 0012 ASP OD1 4.789 H A 0008 LYS NZ
H A 0012 ASP OD2 2.606 H A 0008 LYS NZ
C A 0029 ASP OD1 10.59 H A 0019 HIS ND1
C A 0029 ASP OD1 11.80 H A 0019 HIS NE2
C A 0029 ASP OD2 11.75 H A 0019 HIS ND1
C A 0029 ASP OD1 6.001 C A 0030 HIS ND1
C A 0029 ASP OD1 4.820 C A 0030 HIS NE2
C A 0029 ASP OD2 8.084 C A 0030 HIS ND1
C A 0029 ASP OD2 6.859 C A 0030 HIS NE2
C A 0029 ASP OD1 11.11 C A 0058 LYS NZ
H A 0038 GLU OE1 8.990 H A 0034 LYS NZ
H A 0038 GLU OE2 6.971 H A 0034 LYS NZ
C A 0042 ASP OD2 11.17 C A 0030 HIS ND1
C A 0042 ASP OD2 11.62 C A 0030 HIS NE2
C A 0042 ASP OD1 8.000 C A 0058 LYS NZ
C A 0042 ASP OD2 6.671 C A 0058 LYS NZ
C A 0065 ASP OD1 11.06 C A 0067 ARG NH1
C A 0065 ASP OD1 11.13 C A 0067 ARG NH2
C A 0069 ASP OD1 11.04 C A 0067 ARG NH2
C A 0069 ASP OD2 11.40 C A 0067 ARG NH1
C A 0069 ASP OD2 9.301 C A 0067 ARG NH2
H A 0072 GLU OE1 8.914 C A 0067 ARG NH1
H A 0072 GLU OE1 7.467 C A 0067 ARG NH2
H A 0072 GLU OE2 10.35 C A 0067 ARG NH1
H A 0072 GLU OE2 8.745 C A 0067 ARG NH2
H A 0082 ASP OD1 9.599 H A 0034 LYS NZ
H A 0082 ASP OD2 10.40 H A 0034 LYS NZ
H A 0082 ASP OD1 4.636 C A 0088 LYS NZ
H A 0082 ASP OD2 5.368 C A 0088 LYS NZ
CHARGE_REPU 2.00 12.00 62
C A 0001 GLU OE1 10.04 C A 0003 ASP OD1
C A 0001 GLU OE1 8.994 C A 0003 ASP OD2
C A 0001 GLU OE2 11.24 C A 0003 ASP OD1
C A 0001 GLU OE2 10.03 C A 0003 ASP OD2
C A 0001 GLU OE1 10.30 C A 0070 GLU OE1
C A 0001 GLU OE2 11.72 C A 0070 GLU OE1
C A 0001 GLU OE1 7.450 C A 0071 ASP OD1
C A 0001 GLU OE1 9.603 C A 0071 ASP OD2
C A 0001 GLU OE2 9.630 C A 0071 ASP OD1
C A 0001 GLU OE2 11.75 C A 0071 ASP OD2
C A 0003 ASP OD1 10.47 C A 0071 ASP OD1
C A 0003 ASP OD1 11.97 C A 0071 ASP OD2
C A 0003 ASP OD2 10.13 C A 0071 ASP OD1
C A 0003 ASP OD2 11.73 C A 0071 ASP OD2
C A 0003 ASP OD1 11.18 H A 0072 GLU OE2
C A 0003 ASP OD1 11.50 H A 0082 ASP OD1
C A 0003 ASP OD1 10.93 H A 0082 ASP OD2
H A 0019 HIS ND1 7.945 C A 0030 HIS ND1
H A 0019 HIS ND1 9.736 C A 0030 HIS NE2
H A 0019 HIS NE2 8.026 C A 0030 HIS ND1
H A 0019 HIS NE2 10.04 C A 0030 HIS NE2
H A 0019 HIS ND1 11.97 C A 0058 LYS NZ
H A 0019 HIS NE2 11.02 C A 0058 LYS NZ
C A 0030 HIS ND1 5.774 C A 0058 LYS NZ
C A 0030 HIS NE2 6.410 C A 0058 LYS NZ
H A 0034 LYS NZ 11.49 C A 0088 LYS NZ
H A 0048 GLU OE1 11.98 C A 0055 GLU OE2
C A 0055 GLU OE1 7.577 C A 0065 ASP OD1
C A 0055 GLU OE1 7.553 C A 0065 ASP OD2
C A 0055 GLU OE2 8.490 C A 0065 ASP OD1
C A 0055 GLU OE2 8.364 C A 0065 ASP OD2
C A 0055 GLU OE1 9.583 C A 0069 ASP OD1
C A 0055 GLU OE1 10.97 C A 0069 ASP OD2
C A 0055 GLU OE2 11.68 C A 0069 ASP OD1
C A 0055 GLU OE1 8.967 C A 0070 GLU OE1
C A 0055 GLU OE1 8.019 C A 0070 GLU OE2
C A 0055 GLU OE2 10.31 C A 0070 GLU OE1
C A 0055 GLU OE2 9.336 C A 0070 GLU OE2
C A 0065 ASP OD1 11.87 C A 0069 ASP OD1
C A 0065 ASP OD1 11.87 C A 0069 ASP OD2
C A 0065 ASP OD2 11.60 C A 0069 ASP OD1
C A 0065 ASP OD2 11.66 C A 0069 ASP OD2
C A 0069 ASP OD1 6.082 C A 0070 GLU OE1
C A 0069 ASP OD1 5.942 C A 0070 GLU OE2
C A 0069 ASP OD2 8.246 C A 0070 GLU OE1
C A 0069 ASP OD2 7.937 C A 0070 GLU OE2
C A 0069 ASP OD1 6.545 C A 0071 ASP OD1
C A 0069 ASP OD1 5.131 C A 0071 ASP OD2
C A 0069 ASP OD2 7.634 C A 0071 ASP OD1
C A 0069 ASP OD2 5.795 C A 0071 ASP OD2
C A 0069 ASP OD1 8.172 H A 0072 GLU OE1
C A 0069 ASP OD1 8.721 H A 0072 GLU OE2
C A 0069 ASP OD2 7.526 H A 0072 GLU OE1
C A 0069 ASP OD2 8.044 H A 0072 GLU OE2
C A 0070 GLU OE1 7.721 C A 0071 ASP OD1
C A 0070 GLU OE1 7.823 C A 0071 ASP OD2
C A 0070 GLU OE2 9.325 C A 0071 ASP OD1
C A 0070 GLU OE2 9.035 C A 0071 ASP OD2
C A 0071 ASP OD1 8.586 H A 0072 GLU OE1
C A 0071 ASP OD1 7.814 H A 0072 GLU OE2
C A 0071 ASP OD2 7.875 H A 0072 GLU OE1
C A 0071 ASP OD2 7.128 H A 0072 GLU OE2
HB_MM 2.00 3.20 164
C A 0002 ALA N 2.285 C A 0001 GLU O
C A 0003 ASP N 2.264 C A 0002 ALA O
H A 0004 LEU N 2.265 C A 0003 ASP O
H A 0005 ALA N 3.094 C A 0003 ASP O
H A 0005 ALA N 2.268 H A 0004 LEU O
H A 0006 LEU N 2.992 C A 0003 ASP O
H A 0006 LEU N 2.254 H A 0005 ALA O
H A 0007 GLY N 3.006 C A 0003 ASP O
H A 0007 GLY N 2.255 H A 0006 LEU O
H A 0008 LYS N 2.931 H A 0004 LEU O
H A 0008 LYS N 3.060 H A 0006 LEU O
H A 0008 LYS N 2.247 H A 0007 GLY O
H A 0009 ALA N 2.781 H A 0006 LEU O
H A 0009 ALA N 2.254 H A 0008 LYS O
H A 0010 VAL N 2.254 H A 0009 ALA O
H A 0011 PHE N 3.066 H A 0007 GLY O
H A 0011 PHE N 2.988 H A 0008 LYS O
H A 0011 PHE N 2.261 H A 0010 VAL O
H A 0012 ASP N 2.927 H A 0008 LYS O
H A 0012 ASP N 3.082 H A 0010 VAL O
H A 0012 ASP N 2.273 H A 0011 PHE O
H A 0013 GLY N 2.915 H A 0010 VAL O
H A 0013 GLY N 3.094 H A 0011 PHE O
H A 0013 GLY N 2.244 H A 0012 ASP O
H A 0014 ASN N 2.794 H A 0010 VAL O
H A 0014 ASN N 3.095 H A 0011 PHE O
H A 0014 ASN N 2.251 H A 0013 GLY O
C A 0015 CYS N 2.802 H A 0011 PHE O
C A 0015 CYS N 2.251 H A 0014 ASN O
H A 0016 ALA N 2.847 H A 0011 PHE O
H A 0016 ALA N 2.260 C A 0015 CYS O
H A 0017 ALA N 3.051 C A 0015 CYS O
H A 0017 ALA N 2.264 H A 0016 ALA O
H A 0018 CYS N 2.919 C A 0015 CYS O
H A 0018 CYS N 2.931 H A 0016 ALA O
H A 0018 CYS N 2.262 H A 0017 ALA O
H A 0019 HIS N 2.791 C A 0015 CYS O
H A 0019 HIS N 2.239 H A 0018 CYS O
C A 0020 ALA N 2.782 H A 0016 ALA O
C A 0020 ALA N 2.247 H A 0019 HIS O
C A 0021 GLY N 3.134 H A 0019 HIS O
C A 0021 GLY N 2.254 C A 0020 ALA O
C A 0022 GLY N 2.802 H A 0019 HIS O
C A 0022 GLY N 2.243 C A 0021 GLY O
C A 0023 GLY N 2.915 H A 0019 HIS O
C A 0023 GLY N 2.253 C A 0022 GLY O
C A 0024 ASN N 2.256 C A 0023 GLY O
C A 0025 ASN N 2.257 C A 0024 ASN O
C A 0026 VAL N 2.249 C A 0025 ASN O
C A 0027 ILE N 2.250 C A 0026 VAL O
C A 0028 PRO N 2.247 C A 0027 ILE O
C A 0029 ASP N 2.728 C A 0027 ILE O
C A 0029 ASP N 2.255 C A 0028 PRO O
C A 0030 HIS N 2.244 C A 0029 ASP O
C A 0031 THR N 3.011 C A 0029 ASP O
C A 0031 THR N 2.240 C A 0030 HIS O
C A 0032 LEU N 2.251 C A 0031 THR O
C A 0033 GLN N 2.237 C A 0032 LEU O
H A 0034 LYS N 2.255 C A 0033 GLN O
H A 0035 ALA N 3.165 C A 0033 GLN O
H A 0035 ALA N 2.246 H A 0034 LYS O
H A 0036 ALA N 2.863 C A 0033 GLN O
H A 0036 ALA N 3.022 H A 0034 LYS O
H A 0036 ALA N 2.250 H A 0035 ALA O
H A 0037 ILE N 3.002 C A 0033 GLN O
H A 0037 ILE N 2.258 H A 0036 ALA O
H A 0038 GLU N 2.794 H A 0034 LYS O
H A 0038 GLU N 2.246 H A 0037 ILE O
H A 0039 GLN N 3.017 H A 0036 ALA O
H A 0039 GLN N 2.894 H A 0037 ILE O
H A 0039 GLN N 2.258 H A 0038 GLU O
H A 0040 PHE N 2.773 H A 0036 ALA O
H A 0040 PHE N 2.240 H A 0039 GLN O
C A 0041 LEU N 2.885 H A 0037 ILE O
C A 0041 LEU N 2.238 H A 0040 PHE O
C A 0042 ASP N 2.250 C A 0041 LEU O
C A 0043 GLY N 3.047 C A 0041 LEU O
C A 0043 GLY N 2.256 C A 0042 ASP O
C A 0044 GLY N 2.800 C A 0041 LEU O
C A 0044 GLY N 2.245 C A 0043 GLY O
C A 0045 PHE N 2.255 C A 0044 GLY O
C A 0046 ASN N 2.729 C A 0044 GLY O
C A 0046 ASN N 2.249 C A 0045 PHE O
H A 0047 ILE N 2.255 C A 0046 ASN O
H A 0048 GLU N 2.234 H A 0047 ILE O
H A 0049 ALA N 2.250 H A 0048 GLU O
H A 0050 ILE N 3.102 C A 0046 ASN O
H A 0050 ILE N 3.034 H A 0047 ILE O
H A 0050 ILE N 2.235 H A 0049 ALA O
H A 0051 VAL N 2.785 H A 0047 ILE O
H A 0051 VAL N 2.242 H A 0050 ILE O
H A 0052 TYR N 2.825 H A 0048 GLU O
H A 0052 TYR N 3.078 H A 0049 ALA O
H A 0052 TYR N 2.241 H A 0051 VAL O
H A 0053 GLN N 2.801 H A 0049 ALA O
H A 0053 GLN N 3.171 H A 0050 ILE O
H A 0053 GLN N 3.017 H A 0051 VAL O
H A 0053 GLN N 2.234 H A 0052 TYR O
H A 0054 ILE N 2.773 H A 0050 ILE O
H A 0054 ILE N 2.234 H A 0053 GLN O
C A 0055 GLU N 3.083 H A 0053 GLN O
C A 0055 GLU N 2.239 H A 0054 ILE O
C A 0056 ASN N 2.743 H A 0053 GLN O
C A 0056 ASN N 2.238 C A 0055 GLU O
C A 0057 GLY N 2.745 H A 0053 GLN O
C A 0057 GLY N 2.249 C A 0056 ASN O
C A 0058 LYS N 2.242 C A 0057 GLY O
C A 0059 GLY N 2.238 C A 0058 LYS O
C A 0060 ALA N 2.246 C A 0059 GLY O
C A 0061 MET N 2.803 C A 0059 GLY O
C A 0061 MET N 2.250 C A 0060 ALA O
C A 0062 PRO N 2.253 C A 0061 MET O
C A 0063 ALA N 2.256 C A 0062 PRO O
C A 0064 TRP N 3.011 H A 0054 ILE O
C A 0064 TRP N 2.253 C A 0063 ALA O
C A 0065 ASP N 2.244 C A 0064 TRP O
C A 0066 GLY N 2.933 C A 0064 TRP O
C A 0066 GLY N 2.246 C A 0065 ASP O
C A 0067 ARG N 2.918 C A 0064 TRP O
C A 0067 ARG N 2.250 C A 0066 GLY O
C A 0068 LEU N 2.264 C A 0067 ARG O
C A 0069 ASP N 2.248 C A 0068 LEU O
C A 0070 GLU N 2.213 C A 0069 ASP O
C A 0071 ASP N 2.957 C A 0069 ASP O
C A 0071 ASP N 2.252 C A 0070 GLU O
H A 0072 GLU N 3.120 C A 0068 LEU O
H A 0072 GLU N 2.238 C A 0071 ASP O
H A 0073 ILE N 2.766 C A 0068 LEU O
H A 0073 ILE N 2.968 C A 0069 ASP O
H A 0073 ILE N 2.257 H A 0072 GLU O
H A 0074 ALA N 2.815 C A 0071 ASP O
H A 0074 ALA N 3.192 H A 0072 GLU O
H A 0074 ALA N 2.249 H A 0073 ILE O
H A 0075 GLY N 2.826 C A 0071 ASP O
H A 0075 GLY N 3.066 H A 0072 GLU O
H A 0075 GLY N 2.254 H A 0074 ALA O
H A 0076 VAL N 2.828 H A 0072 GLU O
H A 0076 VAL N 2.249 H A 0075 GLY O
H A 0077 ALA N 2.247 H A 0076 VAL O
H A 0078 ALA N 2.843 H A 0074 ALA O
H A 0078 ALA N 2.254 H A 0077 ALA O
H A 0079 TYR N 2.962 H A 0075 GLY O
H A 0079 TYR N 2.262 H A 0078 ALA O
H A 0080 VAL N 2.946 H A 0076 VAL O
H A 0080 VAL N 2.248 H A 0079 TYR O
H A 0081 TYR N 2.842 H A 0077 ALA O
H A 0081 TYR N 3.197 H A 0079 TYR O
H A 0081 TYR N 2.251 H A 0080 VAL O
H A 0082 ASP N 2.871 H A 0078 ALA O
H A 0082 ASP N 3.039 H A 0079 TYR O
H A 0082 ASP N 2.255 H A 0081 TYR O
H A 0083 GLN N 3.074 H A 0079 TYR O
H A 0083 GLN N 2.265 H A 0082 ASP O
H A 0084 ALA N 2.835 H A 0080 VAL O
H A 0084 ALA N 2.272 H A 0083 GLN O
H A 0085 ALA N 2.875 H A 0081 TYR O
H A 0085 ALA N 2.262 H A 0084 ALA O
H A 0086 GLY N 2.808 H A 0082 ASP O
H A 0086 GLY N 2.275 H A 0085 ALA O
C A 0087 ASN N 2.853 H A 0083 GLN O
C A 0087 ASN N 2.259 H A 0086 GLY O
C A 0088 LYS N 3.125 H A 0083 GLN O
C A 0088 LYS N 2.241 C A 0087 ASN O
C A 0089 TRP N 2.245 C A 0088 LYS O
HB_MS 2.00 3.20 21
H A 0004 LEU N 2.883 C A 0003 ASP OD1
H A 0005 ALA N 2.749 C A 0003 ASP OD1
H A 0010 VAL O 2.760 H A 0014 ASN ND2
C A 0023 GLY O 2.811 H A 0019 HIS ND1
C A 0025 ASN N 2.748 C A 0024 ASN OD1
C A 0026 VAL N 2.905 C A 0024 ASN OD1
C A 0027 ILE N 2.904 C A 0024 ASN OD1
C A 0030 HIS O 2.770 C A 0024 ASN ND2
C A 0032 LEU N 2.873 C A 0031 THR OG1
C A 0032 LEU O 2.816 C A 0089 TRP NE1
C A 0033 GLN N 3.111 C A 0031 THR OG1
H A 0035 ALA O 2.819 H A 0039 GLN NE2
C A 0043 GLY O 3.157 C A 0046 ASN ND2
C A 0044 GLY O 2.901 C A 0046 ASN ND2
H A 0052 TYR O 2.796 C A 0056 ASN ND2
C A 0058 LYS N 2.964 H A 0053 GLN OE1
C A 0062 PRO O 2.979 C A 0064 TRP NE1
C A 0070 GLU N 2.636 C A 0069 ASP OD1
H A 0084 ALA O 2.612 H A 0034 LYS NZ
H A 0085 ALA O 2.700 H A 0034 LYS NZ
C A 0088 LYS O 2.820 H A 0083 GLN NE2
HB_SS 2.00 3.20 1
H A 0034 LYS NZ 2.649 C A 0087 ASN OD1
AROMATIC 0.00 8.00 5
C A 0030 HIS 3.556 H A 0040 PHE
C A 0058 LYS 6.594 C A 0030 HIS
C A 0058 LYS 7.902 H A 0040 PHE
H A 0008 LYS 7.739 H A 0011 PHE
H A 0011 PHE 5.131 H A 0079 TYR