Complet list of 2cue con file
Complete list of 2cue.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 347
C A 0001 GLY CA 3.796 C A 0002 SER CA
C A 0001 GLY C 2.434 C A 0002 SER CA
C A 0001 GLY C 3.343 C A 0002 SER C
C A 0001 GLY C 3.599 C A 0002 SER CB
C A 0002 SER C 2.433 C A 0003 SER CA
C A 0002 SER C 3.462 C A 0003 SER C
C A 0002 SER C 3.506 C A 0003 SER CB
C A 0003 SER CA 3.792 C A 0004 GLY CA
C A 0003 SER C 2.418 C A 0004 GLY CA
C A 0003 SER C 3.499 C A 0004 GLY C
C A 0004 GLY CA 3.797 C A 0005 SER CA
C A 0004 GLY C 2.435 C A 0005 SER CA
C A 0004 GLY C 3.714 C A 0005 SER C
C A 0004 GLY C 3.026 C A 0005 SER CB
C A 0005 SER C 2.435 C A 0006 SER CA
C A 0005 SER C 3.542 C A 0006 SER C
C A 0005 SER C 3.423 C A 0006 SER CB
C A 0006 SER CA 3.792 C A 0007 GLY CA
C A 0006 SER C 2.418 C A 0007 GLY CA
C A 0006 SER C 2.988 C A 0007 GLY C
C A 0007 GLY CA 3.797 C A 0008 GLN CA
C A 0007 GLY C 2.434 C A 0008 GLN CA
C A 0007 GLY C 3.563 C A 0008 GLN C
C A 0007 GLY C 3.392 C A 0008 GLN CB
C A 0007 GLY C 3.610 C A 0008 GLN CG
C A 0008 GLN C 2.434 C A 0009 ARG CA
C A 0008 GLN C 3.249 C A 0009 ARG C
C A 0008 GLN C 3.650 C A 0009 ARG CB
C A 0009 ARG C 2.435 C A 0010 ASN CA
C A 0009 ARG C 3.360 C A 0010 ASN C
C A 0009 ARG C 3.589 C A 0010 ASN CB
C A 0010 ASN C 2.433 C A 0011 ARG CA
C A 0010 ASN C 3.677 C A 0011 ARG C
C A 0010 ASN C 3.186 C A 0011 ARG CB
C A 0010 ASN C 3.765 C A 0011 ARG CD
C A 0010 ASN CB 3.742 C A 0011 ARG CD
C A 0010 ASN CB 3.662 C A 0011 ARG CZ
C A 0011 ARG C 2.433 C A 0012 THR CA
C A 0011 ARG C 3.539 C A 0012 THR C
C A 0011 ARG C 3.453 C A 0012 THR CB
C A 0012 THR C 2.435 C A 0013 SER CA
C A 0012 THR C 3.342 C A 0013 SER C
C A 0012 THR C 3.600 C A 0013 SER CB
C A 0013 SER C 2.435 C A 0014 PHE CA
C A 0013 SER C 3.058 C A 0014 PHE C
C A 0013 SER C 3.710 C A 0014 PHE CB
C A 0014 PHE C 2.434 C A 0015 THR CA
C A 0014 PHE C 3.463 C A 0015 THR C
C A 0014 PHE C 3.533 C A 0015 THR CB
C A 0014 PHE C 3.559 C A 0015 THR CG2
C A 0014 PHE CD2 3.642 C A 0046 LEU CD1
C A 0014 PHE CE2 3.473 H A 0050 ARG CD
C A 0014 PHE CZ 3.454 H A 0050 ARG CD
C A 0015 THR C 2.433 H A 0016 GLN CA
C A 0015 THR C 2.896 H A 0016 GLN C
C A 0015 THR C 3.707 H A 0016 GLN CB
H A 0016 GLN C 2.434 H A 0017 GLU CA
H A 0016 GLN C 3.031 H A 0017 GLU C
H A 0016 GLN C 3.713 H A 0017 GLU CB
H A 0017 GLU C 2.434 H A 0018 GLN CA
H A 0017 GLU C 3.211 H A 0018 GLN C
H A 0017 GLU C 3.667 H A 0018 GLN CB
H A 0017 GLU CA 3.728 H A 0020 GLU CG
H A 0017 GLU CA 3.677 H A 0020 GLU CD
H A 0017 GLU C 3.394 H A 0020 GLU CG
H A 0018 GLN C 2.433 H A 0019 ILE CA
H A 0018 GLN C 3.041 H A 0019 ILE C
H A 0018 GLN C 3.733 H A 0019 ILE CB
H A 0018 GLN C 3.587 H A 0022 LEU CD1
H A 0018 GLN CA 3.392 H A 0044 ILE CG2
H A 0018 GLN CB 3.776 C A 0046 LEU CD1
H A 0018 GLN CD 3.625 C A 0046 LEU CG
H A 0018 GLN CD 3.543 C A 0046 LEU CD1
H A 0019 ILE C 2.434 H A 0020 GLU CA
H A 0019 ILE C 2.926 H A 0020 GLU C
H A 0019 ILE C 3.713 H A 0020 GLU CB
H A 0020 GLU C 2.433 H A 0021 ALA CA
H A 0020 GLU C 3.136 H A 0021 ALA C
H A 0020 GLU C 3.683 H A 0021 ALA CB
H A 0021 ALA C 2.434 H A 0022 LEU CA
H A 0021 ALA C 3.115 H A 0022 LEU C
H A 0021 ALA C 3.697 H A 0022 LEU CB
H A 0021 ALA CB 3.103 H A 0044 ILE CG2
H A 0022 LEU C 2.434 H A 0023 GLU CA
H A 0022 LEU C 3.172 H A 0023 GLU C
H A 0022 LEU C 3.682 H A 0023 GLU CB
H A 0022 LEU CD2 3.713 H A 0040 LEU CD2
H A 0022 LEU CG 3.352 H A 0044 ILE CD1
H A 0022 LEU CD1 3.784 H A 0044 ILE CD1
H A 0022 LEU CD2 3.607 H A 0044 ILE CD1
H A 0022 LEU C 3.615 H A 0054 TRP CZ3
H A 0022 LEU C 3.371 H A 0054 TRP CH2
H A 0022 LEU CB 3.727 H A 0054 TRP CD2
H A 0022 LEU CB 3.636 H A 0054 TRP CE2
H A 0022 LEU CB 3.666 H A 0054 TRP CZ2
H A 0022 LEU CB 3.744 H A 0054 TRP CH2
H A 0022 LEU CD2 3.675 H A 0055 PHE CE1
H A 0023 GLU C 2.435 H A 0024 LYS CA
H A 0023 GLU C 3.057 H A 0024 LYS C
H A 0023 GLU C 3.710 H A 0024 LYS CB
H A 0023 GLU CA 3.681 H A 0054 TRP CH2
H A 0023 GLU CG 3.734 H A 0054 TRP CZ2
H A 0023 GLU CG 3.697 H A 0054 TRP CH2
H A 0024 LYS C 2.433 H A 0025 GLU CA
H A 0024 LYS C 3.181 H A 0025 GLU C
H A 0024 LYS C 3.677 H A 0025 GLU CB
H A 0024 LYS C 3.702 H A 0027 GLU CG
H A 0025 GLU C 2.433 H A 0026 PHE CA
H A 0025 GLU C 3.171 H A 0026 PHE C
H A 0025 GLU C 3.682 H A 0026 PHE CB
H A 0025 GLU CG 3.616 H A 0055 PHE CZ
H A 0026 PHE C 2.434 H A 0027 GLU CA
H A 0026 PHE C 2.971 H A 0027 GLU C
H A 0026 PHE C 3.716 H A 0027 GLU CB
H A 0026 PHE CD1 3.653 C A 0030 HIS CD2
H A 0026 PHE CE1 3.689 C A 0030 HIS CG
H A 0026 PHE CE1 3.304 C A 0030 HIS CD2
H A 0026 PHE CE1 3.708 C A 0030 HIS CE1
H A 0026 PHE CZ 3.758 C A 0030 HIS CG
H A 0026 PHE CD2 3.585 H A 0058 ARG CB
H A 0026 PHE CE2 3.086 H A 0058 ARG CB
H A 0027 GLU C 2.434 H A 0028 ARG CA
H A 0027 GLU C 3.290 H A 0028 ARG C
H A 0027 GLU C 3.630 H A 0028 ARG CB
H A 0028 ARG C 2.434 C A 0029 THR CA
H A 0028 ARG C 3.596 C A 0029 THR C
H A 0028 ARG C 3.375 C A 0029 THR CB
C A 0029 THR C 2.435 C A 0030 HIS CA
C A 0029 THR C 3.146 C A 0030 HIS C
C A 0029 THR C 3.691 C A 0030 HIS CB
C A 0029 THR C 3.797 C A 0030 HIS CD2
C A 0030 HIS C 2.433 C A 0031 TYR CA
C A 0030 HIS C 3.584 C A 0031 TYR C
C A 0030 HIS C 3.365 C A 0031 TYR CB
C A 0030 HIS C 3.308 C A 0031 TYR CG
C A 0030 HIS C 3.498 C A 0031 TYR CD1
C A 0030 HIS C 3.601 C A 0032 PRO CD
C A 0030 HIS CE1 3.383 H A 0062 TRP CD2
C A 0030 HIS CE1 3.426 H A 0062 TRP CE2
C A 0030 HIS CE1 3.503 H A 0062 TRP CE3
C A 0030 HIS CE1 3.607 H A 0062 TRP CZ2
C A 0030 HIS CE1 3.649 H A 0062 TRP CZ3
C A 0030 HIS CE1 3.698 H A 0062 TRP CH2
C A 0031 TYR CA 2.865 C A 0032 PRO CD
C A 0031 TYR C 2.464 C A 0032 PRO CA
C A 0031 TYR C 3.136 C A 0032 PRO C
C A 0031 TYR C 3.646 C A 0032 PRO CB
C A 0031 TYR C 3.636 C A 0032 PRO CG
C A 0031 TYR C 2.498 C A 0032 PRO CD
C A 0031 TYR CD1 3.507 H A 0059 ARG CZ
C A 0031 TYR CE1 3.564 H A 0059 ARG CD
C A 0031 TYR CE1 3.421 H A 0059 ARG CZ
C A 0032 PRO C 2.433 C A 0033 ASP CA
C A 0032 PRO C 2.936 C A 0033 ASP C
C A 0032 PRO C 3.712 C A 0033 ASP CB
C A 0032 PRO CA 3.621 H A 0036 ALA CB
C A 0032 PRO C 3.673 H A 0036 ALA CB
C A 0032 PRO CB 3.258 H A 0036 ALA CB
C A 0032 PRO CG 3.474 H A 0055 PHE CD2
C A 0032 PRO CG 3.209 H A 0055 PHE CE2
C A 0032 PRO CG 3.591 H A 0055 PHE CZ
C A 0032 PRO CD 3.166 H A 0055 PHE CD2
C A 0032 PRO CD 3.206 H A 0055 PHE CE2
C A 0033 ASP C 2.434 H A 0034 VAL CA
C A 0033 ASP C 2.983 H A 0034 VAL C
C A 0033 ASP C 3.737 H A 0034 VAL CB
H A 0034 VAL C 2.434 H A 0035 PHE CA
H A 0034 VAL C 3.057 H A 0035 PHE C
H A 0034 VAL C 3.711 H A 0035 PHE CB
H A 0034 VAL CG2 3.635 H A 0038 GLU CG
H A 0034 VAL CG2 3.682 H A 0038 GLU CD
H A 0035 PHE C 2.433 H A 0036 ALA CA
H A 0035 PHE C 3.286 H A 0036 ALA C
H A 0035 PHE C 3.621 H A 0036 ALA CB
H A 0036 ALA C 2.434 H A 0037 ARG CA
H A 0036 ALA C 2.998 H A 0037 ARG C
H A 0036 ALA C 3.714 H A 0037 ARG CB
H A 0037 ARG C 2.433 H A 0038 GLU CA
H A 0037 ARG C 3.059 H A 0038 GLU C
H A 0037 ARG C 3.710 H A 0038 GLU CB
H A 0037 ARG CB 3.547 H A 0048 GLU CG
H A 0037 ARG C 3.771 H A 0051 ILE CD1
H A 0037 ARG CG 3.479 H A 0051 ILE CG2
H A 0037 ARG CD 3.645 H A 0051 ILE CG2
H A 0037 ARG CD 3.474 H A 0052 GLN CG
H A 0038 GLU C 2.433 H A 0039 ARG CA
H A 0038 GLU C 2.960 H A 0039 ARG C
H A 0038 GLU C 3.715 H A 0039 ARG CB
H A 0038 GLU CG 3.800 H A 0048 GLU CD
H A 0039 ARG C 2.433 H A 0040 LEU CA
H A 0039 ARG C 3.076 H A 0040 LEU C
H A 0039 ARG C 3.705 H A 0040 LEU CB
H A 0040 LEU C 2.434 H A 0041 ALA CA
H A 0040 LEU C 2.892 H A 0041 ALA C
H A 0040 LEU C 3.699 H A 0041 ALA CB
H A 0040 LEU CA 3.675 H A 0043 LYS CB
H A 0040 LEU CD2 3.477 H A 0044 ILE CD1
H A 0041 ALA C 2.433 H A 0042 ALA CA
H A 0041 ALA C 3.262 H A 0042 ALA C
H A 0041 ALA C 3.634 H A 0042 ALA CB
H A 0042 ALA C 2.434 H A 0043 LYS CA
H A 0042 ALA C 3.109 H A 0043 LYS C
H A 0042 ALA C 3.700 H A 0043 LYS CB
H A 0043 LYS C 2.433 H A 0044 ILE CA
H A 0043 LYS C 3.517 H A 0044 ILE C
H A 0043 LYS C 3.479 H A 0044 ILE CB
H A 0043 LYS C 3.674 H A 0044 ILE CG2
H A 0044 ILE C 2.433 C A 0045 ASP CA
H A 0044 ILE C 2.983 C A 0045 ASP C
H A 0044 ILE C 3.018 C A 0045 ASP CB
H A 0044 ILE CD1 3.481 C A 0046 LEU CD1
C A 0045 ASP C 2.435 C A 0046 LEU CA
C A 0045 ASP C 3.564 C A 0046 LEU C
C A 0045 ASP C 3.394 C A 0046 LEU CB
C A 0045 ASP C 3.719 C A 0046 LEU CG
C A 0046 LEU CA 2.866 C A 0047 PRO CD
C A 0046 LEU C 2.464 C A 0047 PRO CA
C A 0046 LEU C 3.137 C A 0047 PRO C
C A 0046 LEU C 3.647 C A 0047 PRO CB
C A 0046 LEU C 3.636 C A 0047 PRO CG
C A 0046 LEU C 2.498 C A 0047 PRO CD
C A 0046 LEU CB 3.446 C A 0047 PRO CD
C A 0046 LEU CD2 3.577 C A 0047 PRO CD
C A 0047 PRO C 2.434 H A 0048 GLU CA
C A 0047 PRO C 2.891 H A 0048 GLU C
C A 0047 PRO C 3.707 H A 0048 GLU CB
C A 0047 PRO CG 3.497 H A 0050 ARG CB
C A 0047 PRO CG 3.205 H A 0050 ARG CG
C A 0047 PRO CD 3.717 H A 0050 ARG CB
C A 0047 PRO CD 3.623 H A 0050 ARG CG
H A 0048 GLU C 2.433 H A 0049 ALA CA
H A 0048 GLU C 3.148 H A 0049 ALA C
H A 0048 GLU C 3.679 H A 0049 ALA CB
H A 0048 GLU C 3.779 H A 0052 GLN CG
H A 0049 ALA C 2.434 H A 0050 ARG CA
H A 0049 ALA C 3.002 H A 0050 ARG C
H A 0049 ALA C 3.715 H A 0050 ARG CB
H A 0049 ALA CA 3.711 H A 0052 GLN CG
H A 0049 ALA C 3.715 H A 0052 GLN CG
H A 0050 ARG C 2.432 H A 0051 ILE CA
H A 0050 ARG C 2.902 H A 0051 ILE C
H A 0050 ARG C 3.728 H A 0051 ILE CB
H A 0051 ILE C 2.433 H A 0052 GLN CA
H A 0051 ILE C 2.923 H A 0052 GLN C
H A 0051 ILE C 3.711 H A 0052 GLN CB
H A 0051 ILE CG2 3.517 H A 0055 PHE CD1
H A 0051 ILE CG2 3.538 H A 0055 PHE CE1
H A 0052 GLN C 2.433 H A 0053 VAL CA
H A 0052 GLN C 3.041 H A 0053 VAL C
H A 0052 GLN C 3.733 H A 0053 VAL CB
H A 0053 VAL C 2.432 H A 0054 TRP CA
H A 0053 VAL C 2.869 H A 0054 TRP C
H A 0053 VAL C 3.698 H A 0054 TRP CB
H A 0054 TRP C 2.433 H A 0055 PHE CA
H A 0054 TRP C 3.085 H A 0055 PHE C
H A 0054 TRP C 3.704 H A 0055 PHE CB
H A 0054 TRP CE3 3.736 H A 0055 PHE CA
H A 0054 TRP CE3 3.319 H A 0055 PHE CD1
H A 0054 TRP CE3 3.649 H A 0055 PHE CE1
H A 0054 TRP CE2 3.532 H A 0058 ARG CZ
H A 0054 TRP CE3 3.550 H A 0058 ARG CG
H A 0054 TRP CZ2 3.708 H A 0058 ARG CD
H A 0054 TRP CZ2 3.442 H A 0058 ARG CZ
H A 0054 TRP CZ3 3.366 H A 0058 ARG CG
H A 0054 TRP CZ3 3.799 H A 0058 ARG CD
H A 0054 TRP CH2 3.590 H A 0058 ARG CG
H A 0054 TRP CH2 3.454 H A 0058 ARG CD
H A 0055 PHE C 2.434 H A 0056 SER CA
H A 0055 PHE C 2.997 H A 0056 SER C
H A 0055 PHE C 3.716 H A 0056 SER CB
H A 0056 SER C 2.434 H A 0057 ASN CA
H A 0056 SER C 2.968 H A 0057 ASN C
H A 0056 SER C 3.715 H A 0057 ASN CB
H A 0057 ASN C 2.434 H A 0058 ARG CA
H A 0057 ASN C 2.975 H A 0058 ARG C
H A 0057 ASN C 3.715 H A 0058 ARG CB
H A 0058 ARG C 2.433 H A 0059 ARG CA
H A 0058 ARG C 2.893 H A 0059 ARG C
H A 0058 ARG C 3.706 H A 0059 ARG CB
H A 0059 ARG C 2.433 H A 0060 ALA CA
H A 0059 ARG C 3.082 H A 0060 ALA C
H A 0059 ARG C 3.696 H A 0060 ALA CB
H A 0060 ALA C 2.435 H A 0061 LYS CA
H A 0060 ALA C 3.201 H A 0061 LYS C
H A 0060 ALA C 3.673 H A 0061 LYS CB
H A 0061 LYS C 2.432 H A 0062 TRP CA
H A 0061 LYS C 3.246 H A 0062 TRP C
H A 0061 LYS C 3.650 H A 0062 TRP CB
H A 0062 TRP C 2.434 H A 0063 ARG CA
H A 0062 TRP C 3.040 H A 0063 ARG C
H A 0062 TRP C 3.711 H A 0063 ARG CB
H A 0063 ARG C 2.433 H A 0064 ARG CA
H A 0063 ARG C 3.133 H A 0064 ARG C
H A 0063 ARG C 3.692 H A 0064 ARG CB
H A 0064 ARG C 2.432 H A 0065 GLU CA
H A 0064 ARG C 3.116 H A 0065 GLU C
H A 0064 ARG C 3.698 H A 0065 GLU CB
H A 0065 GLU C 2.434 H A 0066 GLU CA
H A 0065 GLU C 2.820 H A 0066 GLU C
H A 0065 GLU C 3.682 H A 0066 GLU CB
H A 0066 GLU C 2.433 H A 0067 LYS CA
H A 0066 GLU C 3.035 H A 0067 LYS C
H A 0066 GLU C 3.712 H A 0067 LYS CB
H A 0067 LYS C 2.433 H A 0068 LEU CA
H A 0067 LYS C 2.890 H A 0068 LEU C
H A 0067 LYS C 3.703 H A 0068 LEU CB
H A 0068 LEU C 2.433 H A 0069 ARG CA
H A 0068 LEU C 3.147 H A 0069 ARG C
H A 0068 LEU C 3.690 H A 0069 ARG CB
H A 0068 LEU CA 3.769 H A 0071 GLN CG
H A 0068 LEU C 3.666 H A 0071 GLN CG
H A 0069 ARG C 2.433 H A 0070 ASN CA
H A 0069 ARG C 3.065 H A 0070 ASN C
H A 0069 ARG C 3.707 H A 0070 ASN CB
H A 0070 ASN C 2.434 H A 0071 GLN CA
H A 0070 ASN C 3.081 H A 0071 GLN C
H A 0070 ASN C 3.705 H A 0071 GLN CB
H A 0071 GLN C 2.433 H A 0072 ARG CA
H A 0071 GLN C 3.275 H A 0072 ARG C
H A 0071 GLN C 3.637 H A 0072 ARG CB
H A 0072 ARG C 2.433 C A 0073 ARG CA
H A 0072 ARG C 2.835 C A 0073 ARG C
H A 0072 ARG C 3.687 C A 0073 ARG CB
C A 0073 ARG C 2.434 C A 0074 GLN CA
C A 0073 ARG C 3.517 C A 0074 GLN C
C A 0073 ARG C 3.449 C A 0074 GLN CB
C A 0074 GLN C 2.435 C A 0075 SER CA
C A 0074 GLN C 2.922 C A 0075 SER C
C A 0074 GLN C 3.712 C A 0075 SER CB
C A 0075 SER CA 3.792 C A 0076 GLY CA
C A 0075 SER C 2.418 C A 0076 GLY CA
C A 0075 SER C 3.032 C A 0076 GLY C
C A 0076 GLY CA 2.866 C A 0077 PRO CD
C A 0076 GLY C 2.465 C A 0077 PRO CA
C A 0076 GLY C 3.136 C A 0077 PRO C
C A 0076 GLY C 3.647 C A 0077 PRO CB
C A 0076 GLY C 3.636 C A 0077 PRO CG
C A 0076 GLY C 2.499 C A 0077 PRO CD
C A 0077 PRO C 2.435 C A 0078 SER CA
C A 0077 PRO C 3.081 C A 0078 SER C
C A 0077 PRO C 3.706 C A 0078 SER CB
C A 0078 SER C 2.434 C A 0079 SER CA
C A 0078 SER C 3.423 C A 0079 SER C
C A 0078 SER C 3.540 C A 0079 SER CB
C A 0079 SER CA 3.791 C A 0080 GLY CA
C A 0079 SER C 2.418 C A 0080 GLY CA
C A 0079 SER C 3.346 C A 0080 GLY C
CHARGE_ATTR 2.00 12.00 111
H A 0017 GLU OE1 8.609 H A 0043 LYS NZ
H A 0017 GLU OE2 9.086 H A 0043 LYS NZ
H A 0020 GLU OE1 10.69 H A 0024 LYS NZ
H A 0020 GLU OE2 9.254 H A 0024 LYS NZ
H A 0020 GLU OE1 8.539 H A 0043 LYS NZ
H A 0020 GLU OE2 6.425 H A 0043 LYS NZ
H A 0023 GLU OE1 11.57 C A 0009 ARG NH1
H A 0023 GLU OE2 11.72 C A 0009 ARG NH1
H A 0023 GLU OE2 11.32 C A 0030 HIS ND1
H A 0023 GLU OE2 10.11 C A 0030 HIS NE2
H A 0023 GLU OE1 7.851 H A 0058 ARG NH1
H A 0023 GLU OE1 6.222 H A 0058 ARG NH2
H A 0023 GLU OE2 7.083 H A 0058 ARG NH1
H A 0023 GLU OE2 6.042 H A 0058 ARG NH2
H A 0023 GLU OE1 9.353 H A 0061 LYS NZ
H A 0023 GLU OE2 8.422 H A 0061 LYS NZ
H A 0023 GLU OE2 11.12 H A 0064 ARG NH2
H A 0025 GLU OE1 8.227 H A 0024 LYS NZ
H A 0025 GLU OE2 10.36 H A 0024 LYS NZ
H A 0025 GLU OE1 4.733 H A 0028 ARG NH1
H A 0025 GLU OE1 3.609 H A 0028 ARG NH2
H A 0025 GLU OE2 5.823 H A 0028 ARG NH1
H A 0025 GLU OE2 4.031 H A 0028 ARG NH2
H A 0025 GLU OE1 11.12 C A 0030 HIS NE2
H A 0025 GLU OE2 10.98 C A 0030 HIS ND1
H A 0025 GLU OE2 10.36 C A 0030 HIS NE2
H A 0025 GLU OE1 10.03 H A 0037 ARG NH1
H A 0025 GLU OE1 11.94 H A 0037 ARG NH2
H A 0025 GLU OE2 8.231 H A 0037 ARG NH1
H A 0025 GLU OE2 10.11 H A 0037 ARG NH2
H A 0025 GLU OE1 9.652 H A 0039 ARG NH1
H A 0025 GLU OE1 11.21 H A 0039 ARG NH2
H A 0025 GLU OE2 10.46 H A 0039 ARG NH1
H A 0025 GLU OE2 11.79 H A 0039 ARG NH2
H A 0025 GLU OE1 8.645 H A 0043 LYS NZ
H A 0025 GLU OE2 10.66 H A 0043 LYS NZ
H A 0025 GLU OE2 10.53 H A 0059 ARG NH2
H A 0027 GLU OE1 7.292 H A 0024 LYS NZ
H A 0027 GLU OE2 7.492 H A 0024 LYS NZ
H A 0027 GLU OE1 9.047 H A 0028 ARG NH1
H A 0027 GLU OE1 10.30 H A 0028 ARG NH2
H A 0027 GLU OE2 7.790 H A 0028 ARG NH1
H A 0027 GLU OE2 9.168 H A 0028 ARG NH2
H A 0027 GLU OE1 11.82 C A 0030 HIS ND1
H A 0027 GLU OE1 9.804 C A 0030 HIS NE2
H A 0027 GLU OE2 11.44 C A 0030 HIS ND1
H A 0027 GLU OE2 9.392 C A 0030 HIS NE2
H A 0027 GLU OE1 11.64 H A 0043 LYS NZ
C A 0033 ASP OD1 10.46 H A 0028 ARG NH2
C A 0033 ASP OD2 10.93 H A 0028 ARG NH1
C A 0033 ASP OD2 8.796 H A 0028 ARG NH2
C A 0033 ASP OD1 6.609 H A 0037 ARG NH1
C A 0033 ASP OD1 6.714 H A 0037 ARG NH2
C A 0033 ASP OD2 7.889 H A 0037 ARG NH1
C A 0033 ASP OD2 8.285 H A 0037 ARG NH2
C A 0033 ASP OD1 11.15 H A 0059 ARG NH1
C A 0033 ASP OD1 9.259 H A 0059 ARG NH2
C A 0033 ASP OD2 10.77 H A 0059 ARG NH2
H A 0038 GLU OE1 11.22 H A 0037 ARG NH1
H A 0038 GLU OE1 10.59 H A 0037 ARG NH2
H A 0038 GLU OE2 10.00 H A 0037 ARG NH1
H A 0038 GLU OE2 9.050 H A 0037 ARG NH2
H A 0038 GLU OE1 9.744 H A 0039 ARG NH1
H A 0038 GLU OE1 10.00 H A 0039 ARG NH2
H A 0038 GLU OE2 11.20 H A 0039 ARG NH1
H A 0038 GLU OE2 11.38 H A 0039 ARG NH2
C A 0045 ASP OD2 10.32 H A 0043 LYS NZ
H A 0048 GLU OE1 8.055 H A 0037 ARG NH1
H A 0048 GLU OE1 7.083 H A 0037 ARG NH2
H A 0048 GLU OE2 6.145 H A 0037 ARG NH1
H A 0048 GLU OE2 4.931 H A 0037 ARG NH2
H A 0048 GLU OE2 11.06 H A 0059 ARG NH2
H A 0065 GLU OE2 11.69 C A 0009 ARG NH1
H A 0065 GLU OE2 11.61 C A 0030 HIS ND1
H A 0065 GLU OE2 11.17 C A 0030 HIS NE2
H A 0065 GLU OE1 11.01 H A 0058 ARG NH1
H A 0065 GLU OE1 11.64 H A 0058 ARG NH2
H A 0065 GLU OE2 8.815 H A 0058 ARG NH1
H A 0065 GLU OE2 9.516 H A 0058 ARG NH2
H A 0065 GLU OE1 8.422 H A 0061 LYS NZ
H A 0065 GLU OE2 6.364 H A 0061 LYS NZ
H A 0065 GLU OE1 8.103 H A 0064 ARG NH1
H A 0065 GLU OE1 6.938 H A 0064 ARG NH2
H A 0065 GLU OE2 7.133 H A 0064 ARG NH1
H A 0065 GLU OE2 5.552 H A 0064 ARG NH2
H A 0065 GLU OE1 8.084 H A 0069 ARG NH1
H A 0065 GLU OE1 9.338 H A 0069 ARG NH2
H A 0065 GLU OE2 9.421 H A 0069 ARG NH1
H A 0065 GLU OE2 10.92 H A 0069 ARG NH2
H A 0065 GLU OE1 9.411 H A 0072 ARG NH1
H A 0065 GLU OE1 11.28 H A 0072 ARG NH2
H A 0065 GLU OE2 11.54 H A 0072 ARG NH1
H A 0066 GLU OE1 10.44 C A 0030 HIS ND1
H A 0066 GLU OE1 10.50 C A 0030 HIS NE2
H A 0066 GLU OE2 10.31 C A 0030 HIS ND1
H A 0066 GLU OE2 9.935 C A 0030 HIS NE2
H A 0066 GLU OE1 11.63 H A 0063 ARG NH2
H A 0066 GLU OE1 7.061 H A 0067 LYS NZ
H A 0066 GLU OE2 9.113 H A 0067 LYS NZ
H A 0066 GLU OE1 8.028 H A 0069 ARG NH1
H A 0066 GLU OE1 9.756 H A 0069 ARG NH2
H A 0066 GLU OE2 6.138 H A 0069 ARG NH1
H A 0066 GLU OE2 7.916 H A 0069 ARG NH2
H A 0066 GLU OE1 10.58 H A 0072 ARG NH1
H A 0066 GLU OE1 10.73 H A 0072 ARG NH2
H A 0066 GLU OE2 9.615 H A 0072 ARG NH1
H A 0066 GLU OE2 9.596 H A 0072 ARG NH2
H A 0066 GLU OE1 7.729 C A 0073 ARG NH1
H A 0066 GLU OE1 7.828 C A 0073 ARG NH2
H A 0066 GLU OE2 7.206 C A 0073 ARG NH1
H A 0066 GLU OE2 7.948 C A 0073 ARG NH2
CHARGE_REPU 2.00 12.00 114
C A 0009 ARG NH1 9.435 C A 0011 ARG NH1
C A 0009 ARG NH1 11.11 C A 0011 ARG NH2
C A 0009 ARG NH2 7.364 C A 0011 ARG NH1
C A 0009 ARG NH2 9.200 C A 0011 ARG NH2
C A 0009 ARG NH1 6.753 H A 0058 ARG NH1
C A 0009 ARG NH1 6.614 H A 0058 ARG NH2
C A 0009 ARG NH2 8.365 H A 0058 ARG NH1
C A 0009 ARG NH2 8.502 H A 0058 ARG NH2
C A 0009 ARG NH1 5.869 H A 0061 LYS NZ
C A 0009 ARG NH2 7.527 H A 0061 LYS NZ
C A 0009 ARG NH1 9.419 H A 0064 ARG NH1
C A 0009 ARG NH1 8.114 H A 0064 ARG NH2
C A 0009 ARG NH2 10.14 H A 0064 ARG NH1
C A 0009 ARG NH2 9.285 H A 0064 ARG NH2
H A 0017 GLU OE1 2.939 H A 0020 GLU OE1
H A 0017 GLU OE1 2.969 H A 0020 GLU OE2
H A 0017 GLU OE2 5.125 H A 0020 GLU OE1
H A 0017 GLU OE2 4.711 H A 0020 GLU OE2
H A 0017 GLU OE1 11.65 H A 0023 GLU OE1
H A 0017 GLU OE1 10.36 C A 0045 ASP OD2
H A 0017 GLU OE2 11.02 C A 0045 ASP OD1
H A 0017 GLU OE2 8.934 C A 0045 ASP OD2
H A 0020 GLU OE1 8.935 H A 0023 GLU OE1
H A 0020 GLU OE1 10.94 H A 0023 GLU OE2
H A 0020 GLU OE2 9.934 H A 0023 GLU OE1
H A 0020 GLU OE2 11.73 H A 0023 GLU OE2
H A 0020 GLU OE2 11.06 C A 0045 ASP OD2
H A 0023 GLU OE1 8.362 H A 0027 GLU OE1
H A 0023 GLU OE1 10.40 H A 0027 GLU OE2
H A 0023 GLU OE2 7.755 H A 0027 GLU OE1
H A 0023 GLU OE2 9.582 H A 0027 GLU OE2
H A 0023 GLU OE1 11.29 H A 0065 GLU OE1
H A 0023 GLU OE1 9.800 H A 0065 GLU OE2
H A 0023 GLU OE2 9.728 H A 0065 GLU OE1
H A 0023 GLU OE2 8.200 H A 0065 GLU OE2
H A 0024 LYS NZ 7.036 H A 0028 ARG NH1
H A 0024 LYS NZ 8.711 H A 0028 ARG NH2
H A 0024 LYS NZ 11.91 H A 0039 ARG NH1
H A 0024 LYS NZ 6.165 H A 0043 LYS NZ
H A 0025 GLU OE1 9.234 H A 0027 GLU OE1
H A 0025 GLU OE1 8.833 H A 0027 GLU OE2
H A 0025 GLU OE2 10.52 H A 0027 GLU OE1
H A 0025 GLU OE2 9.948 H A 0027 GLU OE2
H A 0025 GLU OE1 10.73 C A 0033 ASP OD1
H A 0025 GLU OE1 9.660 C A 0033 ASP OD2
H A 0025 GLU OE2 8.592 C A 0033 ASP OD1
H A 0025 GLU OE2 7.660 C A 0033 ASP OD2
H A 0025 GLU OE2 11.69 H A 0048 GLU OE2
H A 0028 ARG NH2 11.89 H A 0037 ARG NH1
H A 0028 ARG NH1 10.04 H A 0039 ARG NH1
H A 0028 ARG NH1 11.00 H A 0039 ARG NH2
H A 0028 ARG NH2 9.322 H A 0039 ARG NH1
H A 0028 ARG NH2 10.26 H A 0039 ARG NH2
H A 0028 ARG NH1 9.993 H A 0043 LYS NZ
H A 0028 ARG NH2 10.46 H A 0043 LYS NZ
C A 0030 HIS ND1 11.91 H A 0037 ARG NH1
C A 0030 HIS ND1 11.33 H A 0058 ARG NH1
C A 0030 HIS NE2 11.42 H A 0058 ARG NH1
C A 0030 HIS ND1 9.005 H A 0059 ARG NH1
C A 0030 HIS ND1 8.399 H A 0059 ARG NH2
C A 0030 HIS NE2 10.71 H A 0059 ARG NH1
C A 0030 HIS NE2 9.848 H A 0059 ARG NH2
C A 0030 HIS ND1 8.620 H A 0063 ARG NH1
C A 0030 HIS ND1 9.536 H A 0063 ARG NH2
C A 0030 HIS NE2 10.65 H A 0063 ARG NH1
C A 0030 HIS NE2 11.53 H A 0063 ARG NH2
C A 0030 HIS NE2 11.67 H A 0069 ARG NH1
C A 0033 ASP OD1 11.06 H A 0038 GLU OE2
C A 0033 ASP OD2 11.14 H A 0038 GLU OE2
C A 0033 ASP OD1 11.40 H A 0048 GLU OE1
C A 0033 ASP OD1 9.730 H A 0048 GLU OE2
C A 0033 ASP OD2 10.62 H A 0048 GLU OE2
H A 0037 ARG NH1 7.280 H A 0059 ARG NH1
H A 0037 ARG NH1 5.312 H A 0059 ARG NH2
H A 0037 ARG NH2 8.145 H A 0059 ARG NH1
H A 0037 ARG NH2 6.563 H A 0059 ARG NH2
H A 0038 GLU OE1 4.793 H A 0048 GLU OE1
H A 0038 GLU OE1 6.398 H A 0048 GLU OE2
H A 0038 GLU OE2 3.895 H A 0048 GLU OE1
H A 0038 GLU OE2 5.013 H A 0048 GLU OE2
H A 0039 ARG NH1 9.213 H A 0043 LYS NZ
H A 0039 ARG NH2 11.36 H A 0043 LYS NZ
H A 0058 ARG NH1 11.06 H A 0059 ARG NH1
H A 0058 ARG NH1 11.18 H A 0059 ARG NH2
H A 0058 ARG NH1 3.997 H A 0061 LYS NZ
H A 0058 ARG NH2 5.157 H A 0061 LYS NZ
H A 0058 ARG NH1 9.608 H A 0064 ARG NH1
H A 0058 ARG NH1 7.775 H A 0064 ARG NH2
H A 0058 ARG NH2 11.05 H A 0064 ARG NH1
H A 0058 ARG NH2 9.013 H A 0064 ARG NH2
H A 0059 ARG NH1 7.230 H A 0063 ARG NH1
H A 0059 ARG NH1 9.262 H A 0063 ARG NH2
H A 0059 ARG NH2 8.825 H A 0063 ARG NH1
H A 0059 ARG NH2 10.73 H A 0063 ARG NH2
H A 0061 LYS NZ 5.894 H A 0064 ARG NH1
H A 0061 LYS NZ 3.893 H A 0064 ARG NH2
H A 0063 ARG NH2 11.44 H A 0067 LYS NZ
H A 0065 GLU OE1 9.800 H A 0066 GLU OE1
H A 0065 GLU OE1 9.518 H A 0066 GLU OE2
H A 0065 GLU OE2 10.58 H A 0066 GLU OE1
H A 0065 GLU OE2 10.41 H A 0066 GLU OE2
H A 0067 LYS NZ 10.37 C A 0073 ARG NH1
H A 0067 LYS NZ 8.770 C A 0073 ARG NH2
H A 0069 ARG NH1 6.488 H A 0072 ARG NH1
H A 0069 ARG NH1 6.711 H A 0072 ARG NH2
H A 0069 ARG NH2 5.340 H A 0072 ARG NH1
H A 0069 ARG NH2 5.257 H A 0072 ARG NH2
H A 0069 ARG NH1 10.13 C A 0073 ARG NH1
H A 0069 ARG NH1 11.70 C A 0073 ARG NH2
H A 0069 ARG NH2 10.46 C A 0073 ARG NH1
H A 0072 ARG NH1 10.94 C A 0073 ARG NH1
H A 0072 ARG NH1 11.90 C A 0073 ARG NH2
H A 0072 ARG NH2 9.506 C A 0073 ARG NH1
H A 0072 ARG NH2 10.67 C A 0073 ARG NH2
HB_MM 2.00 3.20 131
C A 0002 SER N 2.250 C A 0001 GLY O
C A 0003 SER N 2.249 C A 0002 SER O
C A 0004 GLY N 2.250 C A 0003 SER O
C A 0005 SER N 2.250 C A 0004 GLY O
C A 0006 SER N 2.250 C A 0005 SER O
C A 0007 GLY N 2.250 C A 0006 SER O
C A 0008 GLN N 2.251 C A 0007 GLY O
C A 0009 ARG N 2.251 C A 0008 GLN O
C A 0010 ASN N 2.249 C A 0009 ARG O
C A 0011 ARG N 2.250 C A 0010 ASN O
C A 0012 THR N 2.249 C A 0011 ARG O
C A 0013 SER N 2.250 C A 0012 THR O
C A 0014 PHE N 2.250 C A 0013 SER O
C A 0015 THR N 2.250 C A 0014 PHE O
H A 0016 GLN N 2.251 C A 0015 THR O
H A 0017 GLU N 2.887 C A 0015 THR O
H A 0017 GLU N 2.251 H A 0016 GLN O
H A 0018 GLN N 2.595 C A 0015 THR O
H A 0018 GLN N 2.252 H A 0017 GLU O
H A 0019 ILE N 2.741 C A 0015 THR O
H A 0019 ILE N 2.251 H A 0018 GLN O
H A 0020 GLU N 2.953 H A 0016 GLN O
H A 0020 GLU N 2.251 H A 0019 ILE O
H A 0021 ALA N 3.124 H A 0019 ILE O
H A 0021 ALA N 2.250 H A 0020 GLU O
H A 0022 LEU N 2.939 H A 0018 GLN O
H A 0022 LEU N 2.848 H A 0019 ILE O
H A 0022 LEU N 2.250 H A 0021 ALA O
H A 0023 GLU N 2.653 H A 0019 ILE O
H A 0023 GLU N 2.251 H A 0022 LEU O
H A 0024 LYS N 2.250 H A 0023 GLU O
H A 0025 GLU N 2.250 H A 0024 LYS O
H A 0026 PHE N 2.251 H A 0025 GLU O
H A 0027 GLU N 2.936 H A 0023 GLU O
H A 0027 GLU N 2.251 H A 0026 PHE O
H A 0028 ARG N 2.962 H A 0026 PHE O
H A 0028 ARG N 2.251 H A 0027 GLU O
C A 0029 THR N 3.090 H A 0025 GLU O
C A 0029 THR N 2.251 H A 0028 ARG O
C A 0030 HIS N 2.250 C A 0029 THR O
C A 0031 TYR N 2.250 C A 0030 HIS O
C A 0032 PRO N 2.252 C A 0031 TYR O
C A 0033 ASP N 3.149 C A 0031 TYR O
C A 0033 ASP N 2.250 C A 0032 PRO O
H A 0034 VAL N 2.251 C A 0033 ASP O
H A 0035 PHE N 3.170 C A 0033 ASP O
H A 0035 PHE N 2.250 H A 0034 VAL O
H A 0036 ALA N 2.825 C A 0033 ASP O
H A 0036 ALA N 2.250 H A 0035 PHE O
H A 0037 ARG N 2.870 C A 0033 ASP O
H A 0037 ARG N 2.250 H A 0036 ALA O
H A 0038 GLU N 2.929 H A 0034 VAL O
H A 0038 GLU N 2.250 H A 0037 ARG O
H A 0039 ARG N 2.251 H A 0038 GLU O
H A 0040 LEU N 2.906 H A 0036 ALA O
H A 0040 LEU N 2.250 H A 0039 ARG O
H A 0041 ALA N 2.824 H A 0037 ARG O
H A 0041 ALA N 3.002 H A 0038 GLU O
H A 0041 ALA N 2.250 H A 0040 LEU O
H A 0042 ALA N 2.878 H A 0040 LEU O
H A 0042 ALA N 2.250 H A 0041 ALA O
H A 0043 LYS N 2.583 H A 0040 LEU O
H A 0043 LYS N 2.250 H A 0042 ALA O
H A 0044 ILE N 2.903 H A 0040 LEU O
H A 0044 ILE N 2.250 H A 0043 LYS O
C A 0045 ASP N 2.930 H A 0041 ALA O
C A 0045 ASP N 2.251 H A 0044 ILE O
C A 0046 LEU N 2.672 H A 0041 ALA O
C A 0046 LEU N 2.250 C A 0045 ASP O
C A 0047 PRO N 2.253 C A 0046 LEU O
H A 0048 GLU N 2.251 C A 0047 PRO O
H A 0049 ALA N 2.580 C A 0047 PRO O
H A 0049 ALA N 2.250 H A 0048 GLU O
H A 0050 ARG N 2.595 C A 0047 PRO O
H A 0050 ARG N 2.250 H A 0049 ALA O
H A 0051 ILE N 2.251 H A 0050 ARG O
H A 0052 GLN N 3.101 H A 0050 ARG O
H A 0052 GLN N 2.250 H A 0051 ILE O
H A 0053 VAL N 2.828 H A 0050 ARG O
H A 0053 VAL N 3.172 H A 0051 ILE O
H A 0053 VAL N 2.250 H A 0052 GLN O
H A 0054 TRP N 2.998 H A 0050 ARG O
H A 0054 TRP N 2.250 H A 0053 VAL O
H A 0055 PHE N 2.911 H A 0051 ILE O
H A 0055 PHE N 2.896 H A 0053 VAL O
H A 0055 PHE N 2.250 H A 0054 TRP O
H A 0056 SER N 2.927 H A 0052 GLN O
H A 0056 SER N 2.585 H A 0053 VAL O
H A 0056 SER N 2.249 H A 0055 PHE O
H A 0057 ASN N 2.972 H A 0053 VAL O
H A 0057 ASN N 2.249 H A 0056 SER O
H A 0058 ARG N 3.154 H A 0056 SER O
H A 0058 ARG N 2.252 H A 0057 ASN O
H A 0059 ARG N 3.147 H A 0055 PHE O
H A 0059 ARG N 3.116 H A 0056 SER O
H A 0059 ARG N 2.250 H A 0058 ARG O
H A 0060 ALA N 3.094 H A 0057 ASN O
H A 0060 ALA N 2.925 H A 0058 ARG O
H A 0060 ALA N 2.249 H A 0059 ARG O
H A 0061 LYS N 2.559 H A 0058 ARG O
H A 0061 LYS N 2.249 H A 0060 ALA O
H A 0062 TRP N 2.765 H A 0058 ARG O
H A 0062 TRP N 2.250 H A 0061 LYS O
H A 0063 ARG N 2.814 H A 0059 ARG O
H A 0063 ARG N 2.250 H A 0062 TRP O
H A 0064 ARG N 2.252 H A 0063 ARG O
H A 0065 GLU N 2.250 H A 0064 ARG O
H A 0066 GLU N 2.774 H A 0062 TRP O
H A 0066 GLU N 2.251 H A 0065 GLU O
H A 0067 LYS N 2.594 H A 0065 GLU O
H A 0067 LYS N 2.249 H A 0066 GLU O
H A 0068 LEU N 2.518 H A 0065 GLU O
H A 0068 LEU N 2.249 H A 0067 LYS O
H A 0069 ARG N 2.758 H A 0067 LYS O
H A 0069 ARG N 2.250 H A 0068 LEU O
H A 0070 ASN N 2.600 H A 0067 LYS O
H A 0070 ASN N 2.250 H A 0069 ARG O
H A 0071 GLN N 2.878 H A 0067 LYS O
H A 0071 GLN N 2.251 H A 0070 ASN O
H A 0072 ARG N 2.250 H A 0071 GLN O
C A 0073 ARG N 2.843 H A 0069 ARG O
C A 0073 ARG N 2.249 H A 0072 ARG O
C A 0074 GLN N 2.251 C A 0073 ARG O
C A 0075 SER N 2.250 C A 0074 GLN O
C A 0076 GLY N 2.250 C A 0075 SER O
C A 0077 PRO N 2.253 C A 0076 GLY O
C A 0078 SER N 2.987 C A 0076 GLY O
C A 0078 SER N 2.250 C A 0077 PRO O
C A 0079 SER N 2.733 C A 0077 PRO O
C A 0079 SER N 2.250 C A 0078 SER O
C A 0080 GLY N 2.250 C A 0079 SER O
HB_MS 2.00 3.20 5
C A 0006 SER N 3.065 C A 0005 SER OG
C A 0013 SER N 3.085 C A 0012 THR OG1
C A 0032 PRO O 2.628 H A 0037 ARG NH1
H A 0044 ILE O 2.828 H A 0018 GLN NE2
C A 0080 GLY N 2.914 C A 0079 SER OG
HB_SS 2.00 3.20 2
H A 0020 GLU OE1 2.920 H A 0016 GLN NE2
H A 0037 ARG NH2 3.008 H A 0052 GLN OE1
AROMATIC 0.00 8.00 8
H A 0037 ARG 7.979 C A 0031 TYR
H A 0059 ARG 4.587 C A 0031 TYR
H A 0063 ARG 7.793 C A 0031 TYR
C A 0030 HIS 4.641 H A 0062 TRP
H A 0058 ARG 7.412 C A 0014 PHE
H A 0058 ARG 4.248 H A 0054 TRP
H A 0037 ARG 6.429 H A 0055 PHE
H A 0059 ARG 6.330 H A 0055 PHE