Complet list of 1xs3 con file
Complete list of 1xs3.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 366
C A 0010 MET C 2.433 C A 0011 ARG CA
C A 0010 MET C 3.506 C A 0011 ARG C
C A 0010 MET C 3.462 C A 0011 ARG CB
C A 0011 ARG C 2.434 C A 0012 LYS CA
C A 0011 ARG C 3.655 C A 0012 LYS C
C A 0011 ARG C 3.240 C A 0012 LYS CB
C A 0011 ARG C 3.275 C A 0012 LYS CG
C A 0012 LYS C 2.433 C A 0013 ARG CA
C A 0012 LYS C 2.898 C A 0013 ARG C
C A 0012 LYS C 3.708 C A 0013 ARG CB
C A 0012 LYS C 3.476 C A 0014 PRO CD
C A 0013 ARG CA 2.867 C A 0014 PRO CD
C A 0013 ARG C 2.464 C A 0014 PRO CA
C A 0013 ARG C 3.136 C A 0014 PRO C
C A 0013 ARG C 3.645 C A 0014 PRO CB
C A 0013 ARG C 3.635 C A 0014 PRO CG
C A 0013 ARG C 2.497 C A 0014 PRO CD
C A 0013 ARG CB 2.954 C A 0014 PRO CD
C A 0013 ARG CG 3.231 C A 0014 PRO CD
C A 0014 PRO C 2.434 H A 0015 LEU CA
C A 0014 PRO C 3.715 H A 0015 LEU C
C A 0014 PRO C 3.024 H A 0015 LEU CB
H A 0015 LEU C 2.433 H A 0016 ASP CA
H A 0015 LEU C 2.988 H A 0016 ASP C
H A 0015 LEU C 3.714 H A 0016 ASP CB
H A 0015 LEU CB 3.791 H A 0018 GLU CB
H A 0015 LEU CB 3.701 H A 0018 GLU CG
H A 0015 LEU C 3.768 H A 0019 THR CG2
H A 0016 ASP C 2.434 H A 0017 ALA CA
H A 0016 ASP C 2.949 H A 0017 ALA C
H A 0016 ASP C 3.707 H A 0017 ALA CB
H A 0017 ALA C 2.433 H A 0018 GLU CA
H A 0017 ALA C 3.093 H A 0018 GLU C
H A 0017 ALA C 3.703 H A 0018 GLU CB
H A 0017 ALA CA 3.770 H A 0020 ILE CG1
H A 0017 ALA CA 3.717 H A 0020 ILE CD1
H A 0017 ALA C 3.731 H A 0020 ILE CG1
H A 0017 ALA CB 3.630 E A 0035 VAL C
H A 0017 ALA CB 3.752 E A 0035 VAL CB
H A 0018 GLU C 2.434 H A 0019 THR CA
H A 0018 GLU C 3.009 H A 0019 THR C
H A 0018 GLU C 3.736 H A 0019 THR CB
H A 0019 THR C 2.433 H A 0020 ILE CA
H A 0019 THR C 3.061 H A 0020 ILE C
H A 0019 THR C 3.731 H A 0020 ILE CB
H A 0020 ILE C 2.433 H A 0021 ARG CA
H A 0020 ILE C 2.987 H A 0021 ARG C
H A 0020 ILE C 3.715 H A 0021 ARG CB
H A 0020 ILE C 3.710 H A 0024 ILE CD1
H A 0020 ILE CD1 3.556 E A 0035 VAL CB
H A 0020 ILE CD1 3.427 E A 0035 VAL CG1
H A 0020 ILE CD1 3.423 E A 0035 VAL CG2
H A 0020 ILE CG2 3.657 H A 0068 LEU CA
H A 0020 ILE CG2 3.689 H A 0068 LEU C
H A 0021 ARG C 2.435 H A 0022 LYS CA
H A 0021 ARG C 3.043 H A 0022 LYS C
H A 0021 ARG C 3.711 H A 0022 LYS CB
H A 0022 LYS C 2.435 H A 0023 LEU CA
H A 0022 LYS C 2.967 H A 0023 LEU C
H A 0022 LYS C 3.714 H A 0023 LEU CB
H A 0023 LEU C 2.433 H A 0024 ILE CA
H A 0023 LEU C 3.061 H A 0024 ILE C
H A 0023 LEU C 3.730 H A 0024 ILE CB
H A 0024 ILE C 2.434 H A 0025 GLU CA
H A 0024 ILE C 2.949 H A 0025 GLU C
H A 0024 ILE C 3.716 H A 0025 GLU CB
H A 0024 ILE CG2 3.044 H A 0028 LEU CD1
H A 0024 ILE CB 3.581 E A 0033 VAL CG2
H A 0024 ILE CG2 3.150 E A 0033 VAL CG2
H A 0024 ILE CD1 3.446 E A 0033 VAL CG1
H A 0024 ILE CG1 3.349 H A 0067 THR CG2
H A 0024 ILE CD1 3.329 H A 0067 THR CG2
H A 0024 ILE CD1 3.076 H A 0068 LEU CD1
H A 0025 GLU C 2.434 H A 0026 SER CA
H A 0025 GLU C 3.140 H A 0026 SER C
H A 0025 GLU C 3.692 H A 0026 SER CB
H A 0026 SER CA 3.792 H A 0027 GLY CA
H A 0026 SER C 2.418 H A 0027 GLY CA
H A 0026 SER C 3.039 H A 0027 GLY C
H A 0027 GLY CA 3.797 H A 0028 LEU CA
H A 0027 GLY C 2.434 H A 0028 LEU CA
H A 0027 GLY C 3.107 H A 0028 LEU C
H A 0027 GLY C 3.699 H A 0028 LEU CB
H A 0028 LEU CA 2.867 C A 0029 PRO CD
H A 0028 LEU C 2.465 C A 0029 PRO CA
H A 0028 LEU C 3.136 C A 0029 PRO C
H A 0028 LEU C 3.647 C A 0029 PRO CB
H A 0028 LEU C 3.636 C A 0029 PRO CG
H A 0028 LEU C 2.500 C A 0029 PRO CD
H A 0028 LEU CB 3.343 C A 0029 PRO CD
H A 0028 LEU CB 3.239 C A 0031 ALA CB
H A 0028 LEU CG 3.713 C A 0031 ALA CB
H A 0028 LEU CD1 3.256 C A 0031 ALA CB
C A 0029 PRO C 2.433 C A 0030 GLU CA
C A 0029 PRO C 3.376 C A 0030 GLU C
C A 0029 PRO C 3.577 C A 0030 GLU CB
C A 0030 GLU C 2.434 C A 0031 ALA CA
C A 0030 GLU C 3.237 C A 0031 ALA C
C A 0030 GLU C 3.646 C A 0031 ALA CB
C A 0031 ALA C 2.432 E A 0032 ARG CA
C A 0031 ALA C 3.414 E A 0032 ARG C
C A 0031 ALA C 3.546 E A 0032 ARG CB
C A 0031 ALA CB 3.439 C A 0049 SER CB
E A 0032 ARG C 2.434 E A 0033 VAL CA
E A 0032 ARG C 3.518 E A 0033 VAL C
E A 0032 ARG C 3.477 E A 0033 VAL CB
E A 0032 ARG C 3.397 E A 0033 VAL CG2
E A 0032 ARG CA 3.725 E A 0048 VAL CG1
E A 0032 ARG CB 3.286 E A 0048 VAL CG1
E A 0033 VAL C 2.434 E A 0034 ASP CA
E A 0033 VAL C 3.588 E A 0034 ASP C
E A 0033 VAL C 3.358 E A 0034 ASP CB
E A 0033 VAL CG1 3.163 E A 0047 VAL CG2
E A 0033 VAL CG2 3.683 E A 0047 VAL CG1
E A 0034 ASP C 2.434 E A 0035 VAL CA
E A 0034 ASP C 3.527 E A 0035 VAL C
E A 0034 ASP C 3.468 E A 0035 VAL CB
E A 0034 ASP C 3.422 E A 0035 VAL CG2
E A 0035 VAL C 2.434 E A 0036 GLN CA
E A 0035 VAL C 3.575 E A 0036 GLN C
E A 0035 VAL C 3.376 E A 0036 GLN CB
E A 0035 VAL CB 3.779 E A 0045 ALA CB
E A 0035 VAL CG1 3.606 E A 0045 ALA CB
E A 0035 VAL CG2 3.361 E A 0045 ALA CB
E A 0036 GLN CA 3.791 C A 0037 GLY CA
E A 0036 GLN C 2.418 C A 0037 GLY CA
E A 0036 GLN C 3.657 C A 0037 GLY C
C A 0037 GLY CA 3.797 C A 0038 GLU CA
C A 0037 GLY C 2.433 C A 0038 GLU CA
C A 0037 GLY C 3.717 C A 0038 GLU C
C A 0037 GLY C 3.011 C A 0038 GLU CB
C A 0037 GLY CA 3.459 C A 0043 PHE CB
C A 0038 GLU C 2.433 C A 0039 ASP CA
C A 0038 GLU C 3.112 C A 0039 ASP C
C A 0038 GLU C 3.698 C A 0039 ASP CB
C A 0039 ASP CA 3.792 C A 0040 GLY CA
C A 0039 ASP C 2.418 C A 0040 GLY CA
C A 0039 ASP C 3.109 C A 0040 GLY C
C A 0039 ASP CG 3.428 C A 0073 GLY CA
C A 0040 GLY CA 3.797 C A 0041 VAL CA
C A 0040 GLY C 2.434 C A 0041 VAL CA
C A 0040 GLY C 3.658 C A 0041 VAL C
C A 0040 GLY C 3.264 C A 0041 VAL CB
C A 0040 GLY C 3.033 C A 0041 VAL CG2
C A 0040 GLY CA 3.492 C A 0073 GLY C
C A 0040 GLY CA 3.384 C A 0074 GLY C
C A 0040 GLY CA 3.577 C A 0075 ALA CA
C A 0040 GLY C 3.468 C A 0075 ALA CA
C A 0041 VAL C 2.435 C A 0042 HIS CA
C A 0041 VAL C 3.117 C A 0042 HIS C
C A 0041 VAL C 3.697 C A 0042 HIS CB
C A 0041 VAL CG1 3.787 C A 0042 HIS CE1
C A 0042 HIS C 2.434 C A 0043 PHE CA
C A 0042 HIS C 3.556 C A 0043 PHE C
C A 0042 HIS C 3.406 C A 0043 PHE CB
C A 0042 HIS CB 3.452 C A 0078 ALA CB
C A 0043 PHE C 2.433 E A 0044 GLU CA
C A 0043 PHE C 3.469 E A 0044 GLU C
C A 0043 PHE C 3.499 E A 0044 GLU CB
C A 0043 PHE C 3.586 E A 0044 GLU CG
C A 0043 PHE CG 3.725 C A 0079 LEU CD2
C A 0043 PHE CD1 3.697 C A 0079 LEU CD2
C A 0043 PHE CD2 3.497 C A 0079 LEU CD2
C A 0043 PHE CE1 3.495 C A 0079 LEU CD1
C A 0043 PHE CE1 3.458 C A 0079 LEU CD2
C A 0043 PHE CE2 3.244 C A 0079 LEU CD2
C A 0043 PHE CZ 3.224 C A 0079 LEU CD2
E A 0044 GLU C 2.435 E A 0045 ALA CA
E A 0044 GLU C 3.548 E A 0045 ALA C
E A 0044 GLU C 3.405 E A 0045 ALA CB
E A 0045 ALA C 2.434 E A 0046 THR CA
E A 0045 ALA C 3.398 E A 0046 THR C
E A 0045 ALA C 3.587 E A 0046 THR CB
E A 0045 ALA CB 3.415 H A 0068 LEU CD2
E A 0046 THR C 2.434 E A 0047 VAL CA
E A 0046 THR C 3.452 E A 0047 VAL C
E A 0046 THR C 3.543 E A 0047 VAL CB
E A 0046 THR C 3.589 E A 0047 VAL CG2
E A 0047 VAL C 2.435 E A 0048 VAL CA
E A 0047 VAL C 3.570 E A 0048 VAL C
E A 0047 VAL C 3.415 E A 0048 VAL CB
E A 0048 VAL C 2.434 C A 0049 SER CA
E A 0048 VAL C 3.688 C A 0049 SER C
E A 0048 VAL C 3.156 C A 0049 SER CB
E A 0048 VAL CG2 3.765 E A 0084 LEU C
E A 0048 VAL CG2 3.519 H A 0085 THR C
C A 0049 SER CA 2.865 H A 0050 PRO CD
C A 0049 SER C 2.463 H A 0050 PRO CA
C A 0049 SER C 3.135 H A 0050 PRO C
C A 0049 SER C 3.645 H A 0050 PRO CB
C A 0049 SER C 3.635 H A 0050 PRO CG
C A 0049 SER C 2.497 H A 0050 PRO CD
C A 0049 SER CB 3.264 H A 0050 PRO CD
C A 0049 SER CB 3.578 H A 0052 PHE CE2
C A 0049 SER C 3.404 H A 0086 PRO CD
H A 0050 PRO C 2.433 H A 0051 ALA CA
H A 0050 PRO C 2.923 H A 0051 ALA C
H A 0050 PRO C 3.703 H A 0051 ALA CB
H A 0050 PRO CA 3.234 H A 0086 PRO CD
H A 0050 PRO CB 3.681 H A 0086 PRO CG
H A 0050 PRO CB 3.691 H A 0086 PRO CD
H A 0050 PRO CD 3.763 H A 0086 PRO CG
H A 0051 ALA C 2.434 H A 0052 PHE CA
H A 0051 ALA C 3.208 H A 0052 PHE C
H A 0051 ALA C 3.670 H A 0052 PHE CB
H A 0052 PHE C 2.435 H A 0053 VAL CA
H A 0052 PHE C 2.941 H A 0053 VAL C
H A 0052 PHE C 3.734 H A 0053 VAL CB
H A 0052 PHE CB 3.732 C A 0056 ALA CB
H A 0052 PHE CD1 3.085 H A 0060 ARG CB
H A 0052 PHE CE1 3.117 H A 0060 ARG CB
H A 0052 PHE CZ 3.486 H A 0064 VAL CG1
H A 0052 PHE CG 3.440 E A 0083 THR CB
H A 0052 PHE CD1 3.451 E A 0083 THR CB
H A 0052 PHE CD1 3.781 E A 0083 THR CG2
H A 0052 PHE CE1 3.751 E A 0083 THR CG2
H A 0053 VAL CA 3.790 C A 0054 GLY CA
H A 0053 VAL C 2.418 C A 0054 GLY CA
H A 0053 VAL C 2.962 C A 0054 GLY C
H A 0053 VAL CA 3.708 H A 0085 THR CG2
C A 0054 GLY CA 3.797 C A 0055 LYS CA
C A 0054 GLY C 2.434 C A 0055 LYS CA
C A 0054 GLY C 3.489 C A 0055 LYS C
C A 0054 GLY C 3.481 C A 0055 LYS CB
C A 0055 LYS C 2.433 C A 0056 ALA CA
C A 0055 LYS C 3.333 C A 0056 ALA C
C A 0055 LYS C 3.595 C A 0056 ALA CB
C A 0055 LYS C 3.621 H A 0057 PRO CD
C A 0056 ALA CA 2.866 H A 0057 PRO CD
C A 0056 ALA C 2.464 H A 0057 PRO CA
C A 0056 ALA C 3.136 H A 0057 PRO C
C A 0056 ALA C 3.646 H A 0057 PRO CB
C A 0056 ALA C 3.636 H A 0057 PRO CG
C A 0056 ALA C 2.498 H A 0057 PRO CD
H A 0057 PRO C 2.435 H A 0058 LEU CA
H A 0057 PRO C 2.986 H A 0058 LEU C
H A 0057 PRO C 3.714 H A 0058 LEU CB
H A 0057 PRO CG 3.711 H A 0060 ARG CG
H A 0057 PRO CD 3.514 H A 0060 ARG CG
H A 0058 LEU C 2.433 H A 0059 ALA CA
H A 0058 LEU C 2.984 H A 0059 ALA C
H A 0058 LEU C 3.706 H A 0059 ALA CB
H A 0058 LEU CD2 3.518 H A 0062 ARG CD
H A 0059 ALA C 2.433 H A 0060 ARG CA
H A 0059 ALA C 3.095 H A 0060 ARG C
H A 0059 ALA C 3.703 H A 0060 ARG CB
H A 0059 ALA C 3.798 H A 0060 ARG CD
H A 0059 ALA C 3.783 H A 0063 MET CG
H A 0060 ARG C 2.435 H A 0061 HIS CA
H A 0060 ARG C 2.981 H A 0061 HIS C
H A 0060 ARG C 3.715 H A 0061 HIS CB
H A 0061 HIS C 2.434 H A 0062 ARG CA
H A 0061 HIS C 3.058 H A 0062 ARG C
H A 0061 HIS C 3.709 H A 0062 ARG CB
H A 0061 HIS C 3.520 H A 0064 VAL CG2
H A 0061 HIS C 3.547 H A 0065 TYR CD2
H A 0061 HIS CG 3.365 H A 0065 TYR CE2
H A 0061 HIS CD2 3.293 H A 0065 TYR CE2
H A 0061 HIS CE1 3.227 H A 0065 TYR CE2
H A 0061 HIS CE1 3.161 H A 0065 TYR CZ
H A 0061 HIS CE1 3.789 E A 0081 LEU CD2
H A 0062 ARG C 2.433 H A 0063 MET CA
H A 0062 ARG C 2.957 H A 0063 MET C
H A 0062 ARG C 3.715 H A 0063 MET CB
H A 0063 MET C 2.435 H A 0064 VAL CA
H A 0063 MET C 3.082 H A 0064 VAL C
H A 0063 MET C 3.728 H A 0064 VAL CB
H A 0064 VAL C 2.435 H A 0065 TYR CA
H A 0064 VAL C 3.018 H A 0065 TYR C
H A 0064 VAL C 3.713 H A 0065 TYR CB
H A 0064 VAL CA 3.742 H A 0067 THR CG2
H A 0064 VAL CG2 3.615 E A 0081 LEU CD1
H A 0065 TYR C 2.434 H A 0066 ALA CA
H A 0065 TYR C 3.123 H A 0066 ALA C
H A 0065 TYR C 3.687 H A 0066 ALA CB
H A 0065 TYR CD1 3.549 E A 0081 LEU CD1
H A 0065 TYR CE1 3.606 E A 0081 LEU CB
H A 0065 TYR CE1 3.771 E A 0081 LEU CG
H A 0065 TYR CE1 3.278 E A 0081 LEU CD1
H A 0066 ALA C 2.434 H A 0067 THR CA
H A 0066 ALA C 3.055 H A 0067 THR C
H A 0066 ALA C 3.732 H A 0067 THR CB
H A 0067 THR C 2.435 H A 0068 LEU CA
H A 0067 THR C 3.229 H A 0068 LEU C
H A 0067 THR C 3.660 H A 0068 LEU CB
H A 0067 THR CG2 3.046 H A 0068 LEU CD1
H A 0068 LEU CA 3.791 C A 0069 GLY CA
H A 0068 LEU C 2.418 C A 0069 GLY CA
H A 0068 LEU C 2.880 C A 0069 GLY C
H A 0068 LEU CD2 3.784 E A 0081 LEU CD1
C A 0069 GLY CA 3.796 C A 0070 GLU CA
C A 0069 GLY C 2.433 C A 0070 GLU CA
C A 0069 GLY C 3.336 C A 0070 GLU C
C A 0069 GLY C 3.605 C A 0070 GLU CB
C A 0070 GLU C 2.432 C A 0071 LEU CA
C A 0070 GLU C 3.219 C A 0071 LEU C
C A 0070 GLU C 3.662 C A 0071 LEU CB
C A 0070 GLU C 3.783 C A 0071 LEU CD1
C A 0070 GLU CG 3.786 C A 0075 ALA CB
C A 0070 GLU CD 3.710 C A 0079 LEU CG
C A 0071 LEU C 2.434 C A 0072 MET CA
C A 0071 LEU C 3.175 C A 0072 MET C
C A 0071 LEU C 3.680 C A 0072 MET CB
C A 0072 MET CA 3.792 C A 0073 GLY CA
C A 0072 MET C 2.417 C A 0073 GLY CA
C A 0072 MET C 3.516 C A 0073 GLY C
C A 0073 GLY CA 3.784 C A 0074 GLY CA
C A 0073 GLY C 2.416 C A 0074 GLY CA
C A 0073 GLY C 3.394 C A 0074 GLY C
C A 0074 GLY CA 3.797 C A 0075 ALA CA
C A 0074 GLY C 2.435 C A 0075 ALA CA
C A 0074 GLY C 2.999 C A 0075 ALA C
C A 0074 GLY C 3.706 C A 0075 ALA CB
C A 0075 ALA C 2.432 C A 0076 ILE CA
C A 0075 ALA C 3.209 C A 0076 ILE C
C A 0075 ALA C 3.691 C A 0076 ILE CB
C A 0076 ILE C 2.434 C A 0077 HIS CA
C A 0076 ILE C 2.998 C A 0077 HIS C
C A 0076 ILE C 3.714 C A 0077 HIS CB
C A 0077 HIS C 2.434 C A 0078 ALA CA
C A 0077 HIS C 3.149 C A 0078 ALA C
C A 0077 HIS C 3.680 C A 0078 ALA CB
C A 0078 ALA C 2.434 C A 0079 LEU CA
C A 0078 ALA C 3.324 C A 0079 LEU C
C A 0078 ALA C 3.611 C A 0079 LEU CB
C A 0079 LEU C 2.433 E A 0080 GLN CA
C A 0079 LEU C 3.394 E A 0080 GLN C
C A 0079 LEU C 3.561 E A 0080 GLN CB
C A 0079 LEU C 3.757 E A 0080 GLN CD
E A 0080 GLN C 2.434 E A 0081 LEU CA
E A 0080 GLN C 3.615 E A 0081 LEU C
E A 0080 GLN C 3.315 E A 0081 LEU CB
E A 0081 LEU C 2.434 E A 0082 LYS CA
E A 0081 LEU C 3.511 E A 0082 LYS C
E A 0081 LEU C 3.457 E A 0082 LYS CB
E A 0081 LEU C 3.478 E A 0082 LYS CG
E A 0081 LEU C 3.237 E A 0082 LYS CD
E A 0081 LEU CD2 3.427 E A 0083 THR CG2
E A 0082 LYS C 2.435 E A 0083 THR CA
E A 0082 LYS C 3.440 E A 0083 THR C
E A 0082 LYS C 3.554 E A 0083 THR CB
E A 0082 LYS C 3.595 E A 0083 THR CG2
E A 0083 THR C 2.435 E A 0084 LEU CA
E A 0083 THR C 3.522 E A 0084 LEU C
E A 0083 THR C 3.444 E A 0084 LEU CB
E A 0083 THR C 3.745 E A 0084 LEU CG
E A 0084 LEU C 2.433 H A 0085 THR CA
E A 0084 LEU C 3.098 H A 0085 THR C
E A 0084 LEU C 3.725 H A 0085 THR CB
H A 0085 THR CA 2.867 H A 0086 PRO CD
H A 0085 THR C 2.464 H A 0086 PRO CA
H A 0085 THR C 3.136 H A 0086 PRO C
H A 0085 THR C 3.646 H A 0086 PRO CB
H A 0085 THR C 3.636 H A 0086 PRO CG
H A 0085 THR C 2.498 H A 0086 PRO CD
H A 0085 THR CB 3.129 H A 0086 PRO CD
H A 0085 THR CG2 3.552 H A 0086 PRO CD
H A 0086 PRO C 2.434 H A 0087 ASP CA
H A 0086 PRO C 3.148 H A 0087 ASP C
H A 0086 PRO C 3.689 H A 0087 ASP CB
H A 0087 ASP C 2.434 H A 0088 GLU CA
H A 0087 ASP C 3.195 H A 0088 GLU C
H A 0087 ASP C 3.675 H A 0088 GLU CB
H A 0088 GLU C 2.433 H A 0089 ALA CA
H A 0088 GLU C 3.402 H A 0089 ALA C
H A 0088 GLU C 3.549 H A 0089 ALA CB
CHARGE_ATTR 2.00 12.00 62
H A 0016 ASP OD2 10.10 C A 0011 ARG NH2
H A 0016 ASP OD2 11.66 C A 0012 LYS NZ
H A 0016 ASP OD1 11.95 H A 0022 LYS NZ
H A 0016 ASP OD2 11.97 H A 0022 LYS NZ
H A 0018 GLU OE2 11.17 C A 0011 ARG NH2
H A 0018 GLU OE1 10.50 C A 0013 ARG NH1
H A 0018 GLU OE1 9.094 C A 0013 ARG NH2
H A 0018 GLU OE2 11.92 C A 0013 ARG NH1
H A 0018 GLU OE2 10.65 C A 0013 ARG NH2
H A 0018 GLU OE1 4.097 H A 0021 ARG NH1
H A 0018 GLU OE1 6.037 H A 0021 ARG NH2
H A 0018 GLU OE2 4.156 H A 0021 ARG NH1
H A 0018 GLU OE2 5.545 H A 0021 ARG NH2
H A 0018 GLU OE1 4.688 H A 0022 LYS NZ
H A 0018 GLU OE2 6.773 H A 0022 LYS NZ
H A 0018 GLU OE2 11.50 E A 0032 ARG NH2
H A 0025 GLU OE1 2.934 H A 0021 ARG NH1
H A 0025 GLU OE1 3.523 H A 0021 ARG NH2
H A 0025 GLU OE2 4.338 H A 0021 ARG NH1
H A 0025 GLU OE2 3.760 H A 0021 ARG NH2
H A 0025 GLU OE1 8.435 H A 0022 LYS NZ
H A 0025 GLU OE2 10.63 H A 0022 LYS NZ
H A 0025 GLU OE1 10.27 E A 0032 ARG NH1
H A 0025 GLU OE1 9.982 E A 0032 ARG NH2
H A 0025 GLU OE2 8.551 E A 0032 ARG NH1
H A 0025 GLU OE2 8.629 E A 0032 ARG NH2
C A 0030 GLU OE2 11.29 E A 0032 ARG NH1
E A 0034 ASP OD1 6.083 H A 0021 ARG NH1
E A 0034 ASP OD1 5.233 H A 0021 ARG NH2
E A 0034 ASP OD2 8.220 H A 0021 ARG NH1
E A 0034 ASP OD2 7.419 H A 0021 ARG NH2
E A 0034 ASP OD1 7.575 E A 0032 ARG NH1
E A 0034 ASP OD1 5.709 E A 0032 ARG NH2
E A 0034 ASP OD2 8.199 E A 0032 ARG NH1
E A 0034 ASP OD2 6.165 E A 0032 ARG NH2
C A 0038 GLU OE1 11.04 C A 0011 ARG NH2
C A 0038 GLU OE2 11.96 C A 0011 ARG NH1
C A 0038 GLU OE2 10.04 C A 0011 ARG NH2
C A 0038 GLU OE1 9.235 C A 0042 HIS ND1
C A 0038 GLU OE1 9.615 C A 0042 HIS NE2
C A 0038 GLU OE2 11.37 C A 0042 HIS ND1
C A 0038 GLU OE2 11.66 C A 0042 HIS NE2
C A 0039 ASP OD1 11.53 C A 0042 HIS ND1
E A 0044 GLU OE1 10.82 C A 0042 HIS ND1
E A 0044 GLU OE1 9.819 C A 0042 HIS NE2
E A 0044 GLU OE2 8.976 C A 0042 HIS ND1
E A 0044 GLU OE2 7.776 C A 0042 HIS NE2
E A 0044 GLU OE1 9.655 E A 0082 LYS NZ
E A 0044 GLU OE2 11.25 E A 0082 LYS NZ
C A 0070 GLU OE1 11.79 C A 0042 HIS ND1
C A 0070 GLU OE2 10.88 C A 0042 HIS ND1
C A 0070 GLU OE1 8.314 H A 0061 HIS ND1
C A 0070 GLU OE1 8.036 H A 0061 HIS NE2
C A 0070 GLU OE2 9.971 H A 0061 HIS ND1
C A 0070 GLU OE2 9.336 H A 0061 HIS NE2
C A 0070 GLU OE1 11.33 H A 0062 ARG NH2
C A 0070 GLU OE2 11.67 H A 0062 ARG NH2
C A 0070 GLU OE1 9.402 C A 0077 HIS ND1
C A 0070 GLU OE1 8.862 C A 0077 HIS NE2
C A 0070 GLU OE2 7.468 C A 0077 HIS ND1
C A 0070 GLU OE2 6.982 C A 0077 HIS NE2
H A 0088 GLU OE1 11.39 E A 0082 LYS NZ
CHARGE_REPU 2.00 12.00 65
C A 0011 ARG NH1 11.65 C A 0012 LYS NZ
C A 0011 ARG NH2 11.83 C A 0012 LYS NZ
C A 0012 LYS NZ 11.86 C A 0013 ARG NH1
C A 0013 ARG NH1 7.078 H A 0022 LYS NZ
C A 0013 ARG NH2 5.700 H A 0022 LYS NZ
H A 0016 ASP OD1 11.26 H A 0018 GLU OE1
H A 0016 ASP OD1 11.32 H A 0018 GLU OE2
H A 0016 ASP OD2 10.69 H A 0018 GLU OE1
H A 0016 ASP OD2 10.40 H A 0018 GLU OE2
H A 0016 ASP OD1 6.837 C A 0038 GLU OE1
H A 0016 ASP OD1 5.520 C A 0038 GLU OE2
H A 0016 ASP OD2 5.918 C A 0038 GLU OE1
H A 0016 ASP OD2 4.379 C A 0038 GLU OE2
H A 0016 ASP OD1 6.717 C A 0039 ASP OD1
H A 0016 ASP OD1 6.141 C A 0039 ASP OD2
H A 0016 ASP OD2 8.071 C A 0039 ASP OD1
H A 0016 ASP OD2 7.842 C A 0039 ASP OD2
H A 0018 GLU OE1 6.158 H A 0025 GLU OE1
H A 0018 GLU OE1 8.121 H A 0025 GLU OE2
H A 0018 GLU OE2 6.874 H A 0025 GLU OE1
H A 0018 GLU OE2 8.472 H A 0025 GLU OE2
H A 0018 GLU OE1 8.649 E A 0034 ASP OD1
H A 0018 GLU OE1 10.45 E A 0034 ASP OD2
H A 0018 GLU OE2 7.126 E A 0034 ASP OD1
H A 0018 GLU OE2 8.764 E A 0034 ASP OD2
H A 0021 ARG NH1 7.804 H A 0022 LYS NZ
H A 0021 ARG NH2 9.831 H A 0022 LYS NZ
H A 0021 ARG NH1 10.25 E A 0032 ARG NH1
H A 0021 ARG NH1 9.314 E A 0032 ARG NH2
H A 0021 ARG NH2 8.123 E A 0032 ARG NH1
H A 0021 ARG NH2 7.256 E A 0032 ARG NH2
H A 0025 GLU OE2 11.72 C A 0030 GLU OE1
H A 0025 GLU OE2 10.77 C A 0030 GLU OE2
H A 0025 GLU OE1 8.056 E A 0034 ASP OD1
H A 0025 GLU OE1 10.21 E A 0034 ASP OD2
H A 0025 GLU OE2 7.848 E A 0034 ASP OD1
H A 0025 GLU OE2 9.905 E A 0034 ASP OD2
C A 0030 GLU OE1 8.908 H A 0087 ASP OD1
C A 0030 GLU OE1 9.658 H A 0087 ASP OD2
C A 0030 GLU OE2 10.12 H A 0087 ASP OD1
C A 0030 GLU OE2 11.20 H A 0087 ASP OD2
E A 0034 ASP OD1 10.94 E A 0044 GLU OE1
E A 0034 ASP OD2 8.842 E A 0044 GLU OE1
E A 0034 ASP OD2 10.23 E A 0044 GLU OE2
C A 0038 GLU OE1 8.542 C A 0039 ASP OD1
C A 0038 GLU OE1 8.583 C A 0039 ASP OD2
C A 0038 GLU OE2 8.989 C A 0039 ASP OD1
C A 0038 GLU OE2 8.698 C A 0039 ASP OD2
C A 0039 ASP OD1 8.210 C A 0070 GLU OE1
C A 0039 ASP OD1 8.097 C A 0070 GLU OE2
C A 0039 ASP OD2 10.19 C A 0070 GLU OE1
C A 0039 ASP OD2 9.915 C A 0070 GLU OE2
C A 0042 HIS ND1 10.64 C A 0077 HIS ND1
C A 0055 LYS NZ 10.19 H A 0060 ARG NH1
C A 0055 LYS NZ 8.330 H A 0060 ARG NH2
H A 0060 ARG NH1 11.62 H A 0061 HIS ND1
H A 0061 HIS ND1 11.42 H A 0062 ARG NH1
H A 0061 HIS ND1 11.87 H A 0062 ARG NH2
H A 0061 HIS NE2 11.55 H A 0062 ARG NH1
H A 0061 HIS ND1 10.17 E A 0082 LYS NZ
H A 0061 HIS NE2 9.776 E A 0082 LYS NZ
H A 0087 ASP OD1 8.883 H A 0088 GLU OE1
H A 0087 ASP OD1 7.293 H A 0088 GLU OE2
H A 0087 ASP OD2 8.628 H A 0088 GLU OE1
H A 0087 ASP OD2 6.789 H A 0088 GLU OE2
HB_MM 2.00 3.20 120
C A 0011 ARG N 2.251 C A 0010 MET O
C A 0012 LYS N 2.249 C A 0011 ARG O
C A 0013 ARG N 2.250 C A 0012 LYS O
C A 0014 PRO N 2.254 C A 0013 ARG O
H A 0015 LEU N 2.250 C A 0014 PRO O
H A 0016 ASP N 2.249 H A 0015 LEU O
H A 0017 ALA N 2.250 H A 0016 ASP O
H A 0018 GLU N 3.174 H A 0015 LEU O
H A 0018 GLU N 2.890 H A 0016 ASP O
H A 0018 GLU N 2.250 H A 0017 ALA O
H A 0019 THR N 3.019 H A 0015 LEU O
H A 0019 THR N 2.835 H A 0016 ASP O
H A 0019 THR N 2.251 H A 0018 GLU O
H A 0020 ILE N 2.251 H A 0019 THR O
H A 0021 ARG N 2.881 H A 0017 ALA O
H A 0021 ARG N 2.251 H A 0020 ILE O
H A 0022 LYS N 2.770 H A 0018 GLU O
H A 0022 LYS N 2.249 H A 0021 ARG O
H A 0023 LEU N 2.976 H A 0019 THR O
H A 0023 LEU N 2.250 H A 0022 LYS O
H A 0024 ILE N 2.994 H A 0020 ILE O
H A 0024 ILE N 2.249 H A 0023 LEU O
H A 0025 GLU N 2.847 H A 0021 ARG O
H A 0025 GLU N 2.251 H A 0024 ILE O
H A 0026 SER N 2.944 H A 0022 LYS O
H A 0026 SER N 3.138 H A 0024 ILE O
H A 0026 SER N 2.250 H A 0025 GLU O
H A 0027 GLY N 2.968 H A 0023 LEU O
H A 0027 GLY N 3.049 H A 0024 ILE O
H A 0027 GLY N 2.249 H A 0026 SER O
H A 0028 LEU N 2.755 H A 0024 ILE O
H A 0028 LEU N 2.250 H A 0027 GLY O
C A 0029 PRO N 2.253 H A 0028 LEU O
C A 0030 GLU N 2.250 C A 0029 PRO O
C A 0031 ALA N 2.250 C A 0030 GLU O
E A 0032 ARG N 2.251 C A 0031 ALA O
E A 0032 ARG N 2.891 E A 0048 VAL O
E A 0033 VAL N 2.250 E A 0032 ARG O
E A 0034 ASP N 2.250 E A 0033 VAL O
E A 0034 ASP N 2.892 E A 0046 THR O
E A 0035 VAL N 2.249 E A 0034 ASP O
E A 0036 GLN N 2.250 E A 0035 VAL O
E A 0036 GLN N 2.902 E A 0044 GLU O
C A 0037 GLY N 2.249 E A 0036 GLN O
C A 0038 GLU N 2.249 C A 0037 GLY O
C A 0039 ASP N 2.251 C A 0038 GLU O
C A 0040 GLY N 2.249 C A 0039 ASP O
C A 0041 VAL N 2.250 C A 0040 GLY O
C A 0042 HIS N 2.251 C A 0041 VAL O
C A 0043 PHE N 2.251 C A 0042 HIS O
E A 0044 GLU N 3.016 E A 0036 GLN O
E A 0044 GLU N 2.250 C A 0043 PHE O
E A 0045 ALA N 2.250 E A 0044 GLU O
E A 0045 ALA N 2.867 E A 0080 GLN O
E A 0046 THR N 2.656 E A 0034 ASP O
E A 0046 THR N 2.252 E A 0045 ALA O
E A 0047 VAL N 2.250 E A 0046 THR O
E A 0048 VAL N 2.718 E A 0032 ARG O
E A 0048 VAL N 2.251 E A 0047 VAL O
C A 0049 SER N 2.250 E A 0048 VAL O
C A 0049 SER N 2.893 E A 0084 LEU O
H A 0050 PRO N 2.253 C A 0049 SER O
H A 0051 ALA N 2.249 H A 0050 PRO O
H A 0052 PHE N 3.030 H A 0050 PRO O
H A 0052 PHE N 2.251 H A 0051 ALA O
H A 0053 VAL N 2.670 H A 0050 PRO O
H A 0053 VAL N 3.050 H A 0051 ALA O
H A 0053 VAL N 2.251 H A 0052 PHE O
C A 0054 GLY N 2.250 H A 0053 VAL O
C A 0055 LYS N 2.444 H A 0053 VAL O
C A 0055 LYS N 2.250 C A 0054 GLY O
C A 0056 ALA N 2.251 C A 0055 LYS O
H A 0057 PRO N 2.253 C A 0056 ALA O
H A 0058 LEU N 2.251 H A 0057 PRO O
H A 0059 ALA N 3.048 H A 0057 PRO O
H A 0059 ALA N 2.251 H A 0058 LEU O
H A 0060 ARG N 3.171 H A 0057 PRO O
H A 0060 ARG N 2.250 H A 0059 ALA O
H A 0061 HIS N 3.083 H A 0057 PRO O
H A 0061 HIS N 2.251 H A 0060 ARG O
H A 0062 ARG N 2.727 H A 0058 LEU O
H A 0062 ARG N 2.250 H A 0061 HIS O
H A 0063 MET N 2.909 H A 0059 ALA O
H A 0063 MET N 2.249 H A 0062 ARG O
H A 0064 VAL N 3.010 H A 0060 ARG O
H A 0064 VAL N 2.250 H A 0063 MET O
H A 0065 TYR N 3.083 H A 0061 HIS O
H A 0065 TYR N 3.190 H A 0062 ARG O
H A 0065 TYR N 2.250 H A 0064 VAL O
H A 0066 ALA N 2.707 H A 0062 ARG O
H A 0066 ALA N 2.250 H A 0065 TYR O
H A 0067 THR N 2.934 H A 0063 MET O
H A 0067 THR N 2.250 H A 0066 ALA O
H A 0068 LEU N 2.810 H A 0064 VAL O
H A 0068 LEU N 2.250 H A 0067 THR O
C A 0069 GLY N 3.014 H A 0066 ALA O
C A 0069 GLY N 2.250 H A 0068 LEU O
C A 0070 GLU N 2.250 C A 0069 GLY O
C A 0071 LEU N 2.249 C A 0070 GLU O
C A 0072 MET N 2.251 C A 0071 LEU O
C A 0073 GLY N 2.250 C A 0072 MET O
C A 0074 GLY N 2.250 C A 0073 GLY O
C A 0075 ALA N 2.250 C A 0074 GLY O
C A 0076 ILE N 2.251 C A 0075 ALA O
C A 0077 HIS N 2.250 C A 0076 ILE O
C A 0078 ALA N 2.802 C A 0076 ILE O
C A 0078 ALA N 2.250 C A 0077 HIS O
C A 0079 LEU N 2.750 C A 0077 HIS O
C A 0079 LEU N 2.250 C A 0078 ALA O
E A 0080 GLN N 2.251 C A 0079 LEU O
E A 0081 LEU N 2.249 E A 0080 GLN O
E A 0082 LYS N 2.250 E A 0081 LEU O
E A 0083 THR N 2.250 E A 0082 LYS O
E A 0084 LEU N 2.250 E A 0083 THR O
H A 0085 THR N 2.250 E A 0084 LEU O
H A 0086 PRO N 2.253 H A 0085 THR O
H A 0087 ASP N 2.250 H A 0086 PRO O
H A 0088 GLU N 2.250 H A 0087 ASP O
H A 0089 ALA N 3.092 H A 0087 ASP O
H A 0089 ALA N 2.251 H A 0088 GLU O
HB_MS 2.00 3.20 3
H A 0016 ASP O 2.875 H A 0019 THR OG1
H A 0020 ILE N 2.590 H A 0019 THR OG1
C A 0073 GLY N 2.959 C A 0039 ASP OD2
HB_SS 2.00 3.20 1
H A 0061 HIS NE2 2.836 H A 0065 TYR OH