Complet list of 1iur con file
Complete list of 1iur.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 343
C A 0001 MET C 2.434 C A 0002 HIS CA
C A 0001 MET C 3.563 C A 0002 HIS C
C A 0001 MET C 3.397 C A 0002 HIS CB
C A 0002 HIS C 2.434 C A 0003 HIS CA
C A 0002 HIS C 2.994 C A 0003 HIS C
C A 0002 HIS C 3.010 C A 0003 HIS CB
C A 0003 HIS C 2.434 C A 0004 HIS CA
C A 0003 HIS C 3.498 C A 0004 HIS C
C A 0003 HIS C 3.470 C A 0004 HIS CB
C A 0004 HIS C 2.433 C A 0005 HIS CA
C A 0004 HIS C 3.707 C A 0005 HIS C
C A 0004 HIS C 3.074 C A 0005 HIS CB
C A 0004 HIS C 3.689 C A 0005 HIS CG
C A 0004 HIS C 3.711 C A 0005 HIS CD2
C A 0004 HIS CB 3.783 C A 0005 HIS CD2
C A 0005 HIS C 2.434 C A 0006 HIS CA
C A 0005 HIS C 3.635 C A 0006 HIS C
C A 0005 HIS C 3.280 C A 0006 HIS CB
C A 0005 HIS C 3.725 C A 0006 HIS CG
C A 0006 HIS C 2.433 C A 0007 HIS CA
C A 0006 HIS C 3.407 C A 0007 HIS C
C A 0006 HIS C 3.553 C A 0007 HIS CB
C A 0007 HIS C 2.434 C A 0008 LEU CA
C A 0007 HIS C 3.668 C A 0008 LEU C
C A 0007 HIS C 3.206 C A 0008 LEU CB
C A 0007 HIS C 3.533 C A 0008 LEU CG
C A 0008 LEU C 2.433 C A 0009 VAL CA
C A 0008 LEU C 3.611 C A 0009 VAL C
C A 0008 LEU C 3.352 C A 0009 VAL CB
C A 0008 LEU C 3.191 C A 0009 VAL CG2
C A 0009 VAL CA 2.905 C A 0010 PRO CD
C A 0009 VAL C 2.466 C A 0010 PRO CA
C A 0009 VAL C 3.140 C A 0010 PRO C
C A 0009 VAL C 3.648 C A 0010 PRO CB
C A 0009 VAL C 3.642 C A 0010 PRO CG
C A 0009 VAL C 2.506 C A 0010 PRO CD
C A 0010 PRO C 2.434 C A 0011 ARG CA
C A 0010 PRO C 3.080 C A 0011 ARG C
C A 0010 PRO C 3.705 C A 0011 ARG CB
C A 0011 ARG CA 3.793 C A 0012 GLY CA
C A 0011 ARG C 2.418 C A 0012 GLY CA
C A 0011 ARG C 3.717 C A 0012 GLY C
C A 0012 GLY CA 3.798 C A 0013 SER CA
C A 0012 GLY C 2.435 C A 0013 SER CA
C A 0012 GLY C 2.986 C A 0013 SER C
C A 0012 GLY C 3.022 C A 0013 SER CB
C A 0013 SER C 2.434 H A 0014 ILE CA
C A 0013 SER C 3.445 H A 0014 ILE C
C A 0013 SER C 3.553 H A 0014 ILE CB
C A 0013 SER C 3.575 H A 0014 ILE CG1
C A 0013 SER C 3.727 H A 0014 ILE CD1
H A 0014 ILE C 2.434 H A 0015 LEU CA
H A 0014 ILE C 3.189 H A 0015 LEU C
H A 0014 ILE C 3.677 H A 0015 LEU CB
H A 0014 ILE C 3.780 H A 0015 LEU CD2
H A 0014 ILE CG2 3.334 H A 0044 TRP CZ2
H A 0014 ILE CG2 3.151 H A 0044 TRP CH2
H A 0014 ILE CG2 3.444 H A 0059 VAL CG2
H A 0015 LEU C 2.434 H A 0016 LYS CA
H A 0015 LEU C 2.987 H A 0016 LYS C
H A 0015 LEU C 3.715 H A 0016 LYS CB
H A 0016 LYS C 2.434 H A 0017 GLU CA
H A 0016 LYS C 3.114 H A 0017 GLU C
H A 0016 LYS C 3.699 H A 0017 GLU CB
H A 0017 GLU C 2.434 H A 0018 VAL CA
H A 0017 GLU C 3.096 H A 0018 VAL C
H A 0017 GLU C 3.727 H A 0018 VAL CB
H A 0018 VAL C 2.435 H A 0019 THR CA
H A 0018 VAL C 3.102 H A 0019 THR C
H A 0018 VAL C 3.701 H A 0019 THR CB
H A 0018 VAL CA 3.560 H A 0021 VAL CG1
H A 0018 VAL C 3.727 H A 0021 VAL CG1
H A 0018 VAL CG2 3.686 H A 0059 VAL CG1
H A 0018 VAL CG1 3.565 H A 0063 LEU CD1
H A 0019 THR C 2.434 H A 0020 SER CA
H A 0019 THR C 3.229 H A 0020 SER C
H A 0019 THR C 3.660 H A 0020 SER CB
H A 0019 THR CA 3.429 H A 0022 VAL CG1
H A 0019 THR C 3.351 H A 0022 VAL CG1
H A 0020 SER C 2.435 H A 0021 VAL CA
H A 0020 SER C 3.060 H A 0021 VAL C
H A 0020 SER C 3.731 H A 0021 VAL CB
H A 0020 SER CA 3.671 H A 0023 GLU CG
H A 0020 SER C 3.579 H A 0023 GLU CG
H A 0021 VAL C 2.434 H A 0022 VAL CA
H A 0021 VAL C 3.122 H A 0022 VAL C
H A 0021 VAL C 3.722 H A 0022 VAL CB
H A 0022 VAL C 2.435 H A 0023 GLU CA
H A 0022 VAL C 3.119 H A 0023 GLU C
H A 0022 VAL C 3.699 H A 0023 GLU CB
H A 0023 GLU C 2.435 H A 0024 GLN CA
H A 0023 GLU C 3.099 H A 0024 GLN C
H A 0023 GLU C 3.703 H A 0024 GLN CB
H A 0024 GLN C 2.434 H A 0025 ALA CA
H A 0024 GLN C 3.206 H A 0025 ALA C
H A 0024 GLN C 3.663 H A 0025 ALA CB
H A 0025 ALA C 2.435 C A 0026 TRP CA
H A 0025 ALA C 3.292 C A 0026 TRP C
H A 0025 ALA C 3.633 C A 0026 TRP CB
H A 0025 ALA CB 3.320 H A 0036 ILE CB
H A 0025 ALA CB 3.510 H A 0036 ILE CG1
H A 0025 ALA CB 3.481 H A 0036 ILE CG2
C A 0026 TRP C 2.435 C A 0027 LYS CA
C A 0026 TRP C 3.415 C A 0027 LYS C
C A 0026 TRP C 3.548 C A 0027 LYS CB
C A 0026 TRP C 3.671 C A 0027 LYS CG
C A 0026 TRP CE2 3.292 H A 0070 LEU CB
C A 0026 TRP CZ2 3.492 H A 0070 LEU C
C A 0026 TRP CZ2 3.199 H A 0070 LEU CB
C A 0026 TRP CZ2 3.774 H A 0071 GLU CA
C A 0027 LYS C 2.436 C A 0028 LEU CA
C A 0027 LYS C 3.108 C A 0028 LEU C
C A 0027 LYS C 3.700 C A 0028 LEU CB
C A 0028 LEU CA 2.913 C A 0029 PRO CD
C A 0028 LEU C 2.468 C A 0029 PRO CA
C A 0028 LEU C 3.024 C A 0029 PRO C
C A 0028 LEU C 3.666 C A 0029 PRO CB
C A 0028 LEU C 3.596 C A 0029 PRO CG
C A 0028 LEU C 2.504 C A 0029 PRO CD
C A 0028 LEU CB 3.381 C A 0029 PRO CD
C A 0028 LEU CD1 3.506 H A 0032 GLU C
C A 0028 LEU CD2 3.707 H A 0032 GLU CB
C A 0028 LEU CB 3.731 H A 0033 ARG CA
C A 0028 LEU CD1 3.487 H A 0033 ARG CA
C A 0028 LEU CD1 3.784 H A 0036 ILE CG1
C A 0029 PRO C 2.432 H A 0030 GLU CA
C A 0029 PRO C 3.700 H A 0030 GLU C
C A 0029 PRO C 3.115 H A 0030 GLU CB
H A 0030 GLU C 2.437 H A 0031 SER CA
H A 0030 GLU C 2.931 H A 0031 SER C
H A 0030 GLU C 3.715 H A 0031 SER CB
H A 0030 GLU CA 3.454 H A 0033 ARG CB
H A 0030 GLU C 3.659 H A 0033 ARG CB
H A 0031 SER C 2.433 H A 0032 GLU CA
H A 0031 SER C 3.128 H A 0032 GLU C
H A 0031 SER C 3.692 H A 0032 GLU CB
H A 0032 GLU C 2.439 H A 0033 ARG CA
H A 0032 GLU C 2.974 H A 0033 ARG C
H A 0032 GLU C 3.717 H A 0033 ARG CB
H A 0032 GLU CA 3.758 H A 0035 LYS CB
H A 0032 GLU C 3.670 H A 0035 LYS CB
H A 0033 ARG C 2.434 H A 0034 LYS CA
H A 0033 ARG C 3.013 H A 0034 LYS C
H A 0033 ARG C 3.714 H A 0034 LYS CB
H A 0034 LYS C 2.436 H A 0035 LYS CA
H A 0034 LYS C 2.990 H A 0035 LYS C
H A 0034 LYS C 3.716 H A 0035 LYS CB
H A 0035 LYS C 2.433 H A 0036 ILE CA
H A 0035 LYS C 3.089 H A 0036 ILE C
H A 0035 LYS C 3.729 H A 0036 ILE CB
H A 0036 ILE C 2.433 H A 0037 ILE CA
H A 0036 ILE C 3.043 H A 0037 ILE C
H A 0036 ILE C 3.734 H A 0037 ILE CB
H A 0037 ILE C 2.434 H A 0038 ARG CA
H A 0037 ILE C 3.091 H A 0038 ARG C
H A 0037 ILE C 3.703 H A 0038 ARG CB
H A 0038 ARG C 2.434 H A 0039 ARG CA
H A 0038 ARG C 3.086 H A 0039 ARG C
H A 0038 ARG C 3.705 H A 0039 ARG CB
H A 0039 ARG C 2.434 H A 0040 LEU CA
H A 0039 ARG C 3.113 H A 0040 LEU C
H A 0039 ARG C 3.699 H A 0040 LEU CB
H A 0039 ARG C 3.774 H A 0040 LEU CD2
H A 0040 LEU C 2.435 H A 0041 TYR CA
H A 0040 LEU C 3.055 H A 0041 TYR C
H A 0040 LEU C 3.710 H A 0041 TYR CB
H A 0040 LEU CD1 3.716 H A 0044 TRP CD1
H A 0041 TYR C 2.434 H A 0042 LEU CA
H A 0041 TYR C 3.317 H A 0042 LEU C
H A 0041 TYR C 3.615 H A 0042 LEU CB
H A 0041 TYR CG 3.726 H A 0060 PHE CZ
H A 0041 TYR CD2 3.499 H A 0060 PHE CE1
H A 0041 TYR CD2 3.395 H A 0060 PHE CZ
H A 0041 TYR CE2 3.281 H A 0060 PHE CE1
H A 0041 TYR CE2 3.326 H A 0060 PHE CZ
H A 0041 TYR CZ 3.587 H A 0060 PHE CZ
H A 0042 LEU C 2.434 H A 0043 LYS CA
H A 0042 LEU C 3.026 H A 0043 LYS C
H A 0042 LEU C 3.713 H A 0043 LYS CB
H A 0043 LYS C 2.435 H A 0044 TRP CA
H A 0043 LYS C 3.325 H A 0044 TRP C
H A 0043 LYS C 3.611 H A 0044 TRP CB
H A 0044 TRP C 2.434 C A 0045 HIS CA
H A 0044 TRP C 3.249 C A 0045 HIS C
H A 0044 TRP C 3.651 C A 0045 HIS CB
H A 0044 TRP CE3 3.743 H A 0059 VAL CB
H A 0044 TRP CE3 3.679 H A 0059 VAL CG2
H A 0044 TRP CZ3 3.374 H A 0059 VAL CG2
C A 0045 HIS CA 2.914 C A 0046 PRO CD
C A 0045 HIS C 2.466 C A 0046 PRO CA
C A 0045 HIS C 3.114 C A 0046 PRO C
C A 0045 HIS C 3.654 C A 0046 PRO CB
C A 0045 HIS C 3.635 C A 0046 PRO CG
C A 0045 HIS C 2.508 C A 0046 PRO CD
C A 0045 HIS CB 3.641 C A 0046 PRO CD
C A 0045 HIS CG 3.411 C A 0046 PRO CD
C A 0045 HIS CD2 3.296 H A 0060 PHE CE2
C A 0045 HIS CD2 3.645 H A 0060 PHE CZ
C A 0046 PRO C 2.434 C A 0047 ASP CA
C A 0046 PRO C 3.074 C A 0047 ASP C
C A 0046 PRO C 3.706 C A 0047 ASP CB
C A 0046 PRO CA 3.671 H A 0056 ALA CB
C A 0047 ASP C 2.435 C A 0048 LYS CA
C A 0047 ASP C 3.184 C A 0048 LYS C
C A 0047 ASP C 3.679 C A 0048 LYS CB
C A 0048 LYS C 2.434 C A 0049 ASN CA
C A 0048 LYS C 2.998 C A 0049 ASN C
C A 0048 LYS C 3.715 C A 0049 ASN CB
C A 0049 ASN CA 2.910 C A 0050 PRO CD
C A 0049 ASN C 2.466 C A 0050 PRO CA
C A 0049 ASN C 3.161 C A 0050 PRO C
C A 0049 ASN C 3.643 C A 0050 PRO CB
C A 0049 ASN C 3.651 C A 0050 PRO CG
C A 0049 ASN C 2.509 C A 0050 PRO CD
C A 0049 ASN CB 3.560 C A 0050 PRO CD
C A 0049 ASN CB 3.704 H A 0052 ASN CB
C A 0049 ASN CG 3.509 H A 0052 ASN CB
C A 0050 PRO C 2.433 C A 0051 GLU CA
C A 0050 PRO C 3.663 C A 0051 GLU C
C A 0050 PRO C 3.220 C A 0051 GLU CB
C A 0051 GLU C 2.435 H A 0052 ASN CA
C A 0051 GLU C 3.512 H A 0052 ASN C
C A 0051 GLU C 3.457 H A 0052 ASN CB
C A 0051 GLU C 3.621 H A 0052 ASN CG
H A 0052 ASN C 2.435 H A 0053 HIS CA
H A 0052 ASN C 3.143 H A 0053 HIS C
H A 0052 ASN C 3.691 H A 0053 HIS CB
H A 0052 ASN CA 3.596 H A 0055 ILE CD1
H A 0052 ASN CG 3.654 H A 0055 ILE CD1
H A 0053 HIS C 2.435 H A 0054 ASP CA
H A 0053 HIS C 3.182 H A 0054 ASP C
H A 0053 HIS C 3.678 H A 0054 ASP CB
H A 0054 ASP C 2.435 H A 0055 ILE CA
H A 0054 ASP C 3.002 H A 0055 ILE C
H A 0054 ASP C 3.737 H A 0055 ILE CB
H A 0055 ILE C 2.433 H A 0056 ALA CA
H A 0055 ILE C 3.196 H A 0056 ALA C
H A 0055 ILE C 3.663 H A 0056 ALA CB
H A 0056 ALA C 2.434 H A 0057 ASN CA
H A 0056 ALA C 2.999 H A 0057 ASN C
H A 0056 ALA C 3.714 H A 0057 ASN CB
H A 0057 ASN C 2.434 H A 0058 GLU CA
H A 0057 ASN C 3.033 H A 0058 GLU C
H A 0057 ASN C 3.712 H A 0058 GLU CB
H A 0058 GLU C 2.433 H A 0059 VAL CA
H A 0058 GLU C 3.009 H A 0059 VAL C
H A 0058 GLU C 3.736 H A 0059 VAL CB
H A 0059 VAL C 2.434 H A 0060 PHE CA
H A 0059 VAL C 3.051 H A 0060 PHE C
H A 0059 VAL C 3.710 H A 0060 PHE CB
H A 0060 PHE C 2.435 H A 0061 LYS CA
H A 0060 PHE C 2.996 H A 0061 LYS C
H A 0060 PHE C 3.715 H A 0061 LYS CB
H A 0061 LYS C 2.435 H A 0062 HIS CA
H A 0061 LYS C 3.148 H A 0062 HIS C
H A 0061 LYS C 3.690 H A 0062 HIS CB
H A 0062 HIS C 2.433 H A 0063 LEU CA
H A 0062 HIS C 3.135 H A 0063 LEU C
H A 0062 HIS C 3.691 H A 0063 LEU CB
H A 0062 HIS CD2 3.690 H A 0066 GLU CD
H A 0062 HIS CE1 3.529 H A 0066 GLU CG
H A 0062 HIS CE1 3.341 H A 0066 GLU CD
H A 0063 LEU C 2.435 H A 0064 GLN CA
H A 0063 LEU C 2.980 H A 0064 GLN C
H A 0063 LEU C 3.715 H A 0064 GLN CB
H A 0063 LEU C 3.555 H A 0067 ILE CD1
H A 0064 GLN C 2.435 H A 0065 ASN CA
H A 0064 GLN C 3.081 H A 0065 ASN C
H A 0064 GLN C 3.706 H A 0065 ASN CB
H A 0064 GLN CA 3.511 H A 0067 ILE CD1
H A 0065 ASN C 2.434 H A 0066 GLU CA
H A 0065 ASN C 3.095 H A 0066 GLU C
H A 0065 ASN C 3.704 H A 0066 GLU CB
H A 0066 GLU C 2.433 H A 0067 ILE CA
H A 0066 GLU C 3.161 H A 0067 ILE C
H A 0066 GLU C 3.711 H A 0067 ILE CB
H A 0067 ILE C 2.439 H A 0068 ASN CA
H A 0067 ILE C 2.959 H A 0068 ASN C
H A 0067 ILE C 3.716 H A 0068 ASN CB
H A 0068 ASN C 2.432 H A 0069 ARG CA
H A 0068 ASN C 2.998 H A 0069 ARG C
H A 0068 ASN C 3.712 H A 0069 ARG CB
H A 0069 ARG C 2.434 H A 0070 LEU CA
H A 0069 ARG C 3.280 H A 0070 LEU C
H A 0069 ARG C 3.636 H A 0070 LEU CB
H A 0070 LEU C 2.434 H A 0071 GLU CA
H A 0070 LEU C 3.045 H A 0071 GLU C
H A 0070 LEU C 3.712 H A 0071 GLU CB
H A 0070 LEU CA 3.464 H A 0073 GLN CG
H A 0070 LEU C 3.736 H A 0073 GLN CG
H A 0071 GLU C 2.434 H A 0072 LYS CA
H A 0071 GLU C 3.197 H A 0072 LYS C
H A 0071 GLU C 3.673 H A 0072 LYS CB
H A 0072 LYS C 2.433 H A 0073 GLN CA
H A 0072 LYS C 3.100 H A 0073 GLN C
H A 0072 LYS C 3.702 H A 0073 GLN CB
H A 0073 GLN C 2.433 H A 0074 ALA CA
H A 0073 GLN C 3.303 H A 0074 ALA C
H A 0073 GLN C 3.613 H A 0074 ALA CB
H A 0074 ALA C 2.434 C A 0075 PHE CA
H A 0074 ALA C 3.701 C A 0075 PHE C
H A 0074 ALA C 3.105 C A 0075 PHE CB
C A 0075 PHE C 2.434 C A 0076 LEU CA
C A 0075 PHE C 3.317 C A 0076 LEU C
C A 0075 PHE C 3.615 C A 0076 LEU CB
C A 0076 LEU C 2.434 C A 0077 ASP CA
C A 0076 LEU C 3.670 C A 0077 ASP C
C A 0076 LEU C 3.203 C A 0077 ASP CB
C A 0076 LEU CD2 3.536 C A 0083 ALA CB
C A 0077 ASP C 2.434 C A 0078 GLN CA
C A 0077 ASP C 2.999 C A 0078 GLN C
C A 0077 ASP C 3.006 C A 0078 GLN CB
C A 0078 GLN C 2.435 C A 0079 ASN CA
C A 0078 GLN C 3.678 C A 0079 ASN C
C A 0078 GLN C 3.184 C A 0079 ASN CB
C A 0079 ASN C 2.438 C A 0080 ALA CA
C A 0079 ASN C 3.044 C A 0080 ALA C
C A 0079 ASN C 2.975 C A 0080 ALA CB
C A 0080 ALA C 2.434 C A 0081 ASP CA
C A 0080 ALA C 3.238 C A 0081 ASP C
C A 0080 ALA C 3.654 C A 0081 ASP CB
C A 0081 ASP C 2.432 C A 0082 ARG CA
C A 0081 ASP C 3.570 C A 0082 ARG C
C A 0081 ASP C 3.380 C A 0082 ARG CB
C A 0082 ARG C 2.434 C A 0083 ALA CA
C A 0082 ARG C 3.013 C A 0083 ALA C
C A 0082 ARG C 2.995 C A 0083 ALA CB
C A 0083 ALA C 2.434 C A 0084 SER CA
C A 0083 ALA C 3.169 C A 0084 SER C
C A 0083 ALA C 3.682 C A 0084 SER CB
C A 0084 SER C 2.437 C A 0085 ARG CA
C A 0084 SER C 3.029 C A 0085 ARG C
C A 0084 SER C 2.982 C A 0085 ARG CB
C A 0085 ARG C 2.435 C A 0086 ARG CA
C A 0085 ARG C 3.648 C A 0086 ARG C
C A 0085 ARG C 3.257 C A 0086 ARG CB
C A 0085 ARG C 3.312 C A 0086 ARG CG
C A 0086 ARG C 2.434 C A 0087 THR CA
C A 0086 ARG C 3.474 C A 0087 THR C
C A 0086 ARG C 3.495 C A 0087 THR CB
C A 0087 THR C 2.435 C A 0088 PHE CA
C A 0087 THR C 3.006 C A 0088 PHE C
C A 0087 THR C 3.001 C A 0088 PHE CB
CHARGE_ATTR 2.00 12.00 94
H A 0017 GLU OE1 7.252 H A 0016 LYS NZ
H A 0017 GLU OE2 9.439 H A 0016 LYS NZ
H A 0017 GLU OE1 12.00 H A 0039 ARG NH2
H A 0017 GLU OE2 10.50 H A 0039 ARG NH1
H A 0017 GLU OE2 10.04 H A 0039 ARG NH2
H A 0017 GLU OE1 11.49 H A 0043 LYS NZ
H A 0017 GLU OE2 9.518 H A 0043 LYS NZ
H A 0023 GLU OE1 11.19 H A 0016 LYS NZ
H A 0023 GLU OE1 7.379 C A 0027 LYS NZ
H A 0023 GLU OE2 5.908 C A 0027 LYS NZ
H A 0023 GLU OE1 11.08 H A 0062 HIS NE2
H A 0023 GLU OE1 9.936 H A 0069 ARG NH2
H A 0023 GLU OE2 11.46 H A 0069 ARG NH2
H A 0030 GLU OE1 7.080 H A 0033 ARG NH1
H A 0030 GLU OE1 7.150 H A 0033 ARG NH2
H A 0030 GLU OE2 6.953 H A 0033 ARG NH1
H A 0030 GLU OE2 7.704 H A 0033 ARG NH2
H A 0030 GLU OE1 5.814 H A 0034 LYS NZ
H A 0030 GLU OE2 7.470 H A 0034 LYS NZ
H A 0030 GLU OE1 10.85 H A 0038 ARG NH1
H A 0030 GLU OE1 10.72 H A 0038 ARG NH2
H A 0032 GLU OE1 9.850 H A 0034 LYS NZ
H A 0032 GLU OE2 10.05 H A 0034 LYS NZ
H A 0032 GLU OE1 6.032 H A 0035 LYS NZ
H A 0032 GLU OE2 4.483 H A 0035 LYS NZ
H A 0032 GLU OE1 11.93 H A 0039 ARG NH1
H A 0032 GLU OE2 9.964 H A 0039 ARG NH1
H A 0032 GLU OE2 11.53 H A 0039 ARG NH2
C A 0047 ASP OD1 5.461 C A 0045 HIS ND1
C A 0047 ASP OD1 7.227 C A 0045 HIS NE2
C A 0047 ASP OD2 5.657 C A 0045 HIS ND1
C A 0047 ASP OD2 7.117 C A 0045 HIS NE2
C A 0047 ASP OD1 7.035 C A 0048 LYS NZ
C A 0047 ASP OD2 9.224 C A 0048 LYS NZ
C A 0047 ASP OD1 9.620 H A 0053 HIS ND1
C A 0047 ASP OD1 9.844 H A 0053 HIS NE2
C A 0047 ASP OD2 8.580 H A 0053 HIS ND1
C A 0047 ASP OD2 8.549 H A 0053 HIS NE2
C A 0051 GLU OE1 11.95 H A 0053 HIS ND1
C A 0051 GLU OE2 11.46 H A 0053 HIS ND1
H A 0054 ASP OD1 7.710 C A 0011 ARG NH1
H A 0054 ASP OD1 8.832 C A 0011 ARG NH2
H A 0054 ASP OD2 5.791 C A 0011 ARG NH1
H A 0054 ASP OD2 6.860 C A 0011 ARG NH2
H A 0054 ASP OD1 7.025 H A 0053 HIS ND1
H A 0054 ASP OD1 6.472 H A 0053 HIS NE2
H A 0054 ASP OD2 8.865 H A 0053 HIS ND1
H A 0054 ASP OD2 8.552 H A 0053 HIS NE2
H A 0054 ASP OD1 9.320 H A 0061 LYS NZ
H A 0054 ASP OD2 9.899 H A 0061 LYS NZ
H A 0058 GLU OE1 3.635 C A 0011 ARG NH1
H A 0058 GLU OE1 4.307 C A 0011 ARG NH2
H A 0058 GLU OE2 4.752 C A 0011 ARG NH1
H A 0058 GLU OE2 4.368 C A 0011 ARG NH2
H A 0058 GLU OE1 10.25 H A 0061 LYS NZ
H A 0058 GLU OE2 8.907 H A 0061 LYS NZ
H A 0058 GLU OE1 9.465 H A 0062 HIS ND1
H A 0058 GLU OE1 9.674 H A 0062 HIS NE2
H A 0058 GLU OE2 8.310 H A 0062 HIS ND1
H A 0058 GLU OE2 8.817 H A 0062 HIS NE2
H A 0066 GLU OE1 3.741 H A 0062 HIS ND1
H A 0066 GLU OE1 3.380 H A 0062 HIS NE2
H A 0066 GLU OE2 4.364 H A 0062 HIS ND1
H A 0066 GLU OE2 3.300 H A 0062 HIS NE2
H A 0066 GLU OE1 6.498 H A 0069 ARG NH1
H A 0066 GLU OE1 5.365 H A 0069 ARG NH2
H A 0066 GLU OE2 5.654 H A 0069 ARG NH1
H A 0066 GLU OE2 4.000 H A 0069 ARG NH2
H A 0071 GLU OE1 6.159 H A 0033 ARG NH1
H A 0071 GLU OE1 4.886 H A 0033 ARG NH2
H A 0071 GLU OE2 6.643 H A 0033 ARG NH1
H A 0071 GLU OE2 4.739 H A 0033 ARG NH2
H A 0071 GLU OE2 10.73 H A 0034 LYS NZ
H A 0071 GLU OE1 11.43 H A 0038 ARG NH1
H A 0071 GLU OE2 9.451 H A 0038 ARG NH1
H A 0071 GLU OE2 10.04 H A 0038 ARG NH2
H A 0071 GLU OE1 8.728 H A 0072 LYS NZ
H A 0071 GLU OE2 9.538 H A 0072 LYS NZ
H A 0071 GLU OE1 11.09 C A 0085 ARG NH1
H A 0071 GLU OE2 11.36 C A 0085 ARG NH1
C A 0077 ASP OD1 10.39 H A 0033 ARG NH1
C A 0077 ASP OD1 11.58 H A 0033 ARG NH2
C A 0077 ASP OD2 11.52 H A 0033 ARG NH1
C A 0077 ASP OD1 11.40 C A 0082 ARG NH2
C A 0077 ASP OD2 11.68 C A 0082 ARG NH2
C A 0081 ASP OD2 10.51 C A 0082 ARG NH1
C A 0081 ASP OD2 11.12 C A 0082 ARG NH2
C A 0081 ASP OD1 10.38 C A 0085 ARG NH1
C A 0081 ASP OD1 10.90 C A 0085 ARG NH2
C A 0081 ASP OD2 9.119 C A 0085 ARG NH1
C A 0081 ASP OD2 10.05 C A 0085 ARG NH2
C A 0081 ASP OD1 11.95 C A 0086 ARG NH2
C A 0081 ASP OD2 11.33 C A 0086 ARG NH1
C A 0081 ASP OD2 10.76 C A 0086 ARG NH2
CHARGE_REPU 2.00 12.00 108
C A 0002 HIS ND1 7.373 C A 0003 HIS ND1
C A 0002 HIS ND1 8.389 C A 0003 HIS NE2
C A 0002 HIS NE2 8.423 C A 0003 HIS ND1
C A 0002 HIS NE2 8.998 C A 0003 HIS NE2
C A 0002 HIS ND1 5.796 C A 0004 HIS ND1
C A 0002 HIS ND1 7.052 C A 0004 HIS NE2
C A 0002 HIS NE2 7.900 C A 0004 HIS ND1
C A 0002 HIS NE2 9.079 C A 0004 HIS NE2
C A 0002 HIS ND1 8.895 C A 0005 HIS ND1
C A 0002 HIS ND1 7.301 C A 0005 HIS NE2
C A 0002 HIS NE2 9.996 C A 0005 HIS ND1
C A 0002 HIS NE2 8.298 C A 0005 HIS NE2
C A 0002 HIS ND1 7.059 C A 0006 HIS ND1
C A 0002 HIS ND1 7.802 C A 0006 HIS NE2
C A 0002 HIS NE2 6.879 C A 0006 HIS ND1
C A 0002 HIS NE2 7.032 C A 0006 HIS NE2
C A 0003 HIS ND1 7.003 C A 0004 HIS ND1
C A 0003 HIS ND1 8.968 C A 0004 HIS NE2
C A 0003 HIS NE2 8.809 C A 0004 HIS ND1
C A 0003 HIS NE2 10.67 C A 0004 HIS NE2
C A 0003 HIS ND1 9.593 C A 0005 HIS ND1
C A 0003 HIS ND1 9.593 C A 0005 HIS NE2
C A 0003 HIS NE2 10.09 C A 0005 HIS ND1
C A 0003 HIS NE2 10.20 C A 0005 HIS NE2
C A 0003 HIS ND1 7.291 C A 0006 HIS ND1
C A 0003 HIS ND1 8.420 C A 0006 HIS NE2
C A 0003 HIS NE2 6.612 C A 0006 HIS ND1
C A 0003 HIS NE2 7.426 C A 0006 HIS NE2
C A 0004 HIS ND1 7.083 C A 0005 HIS ND1
C A 0004 HIS ND1 6.492 C A 0005 HIS NE2
C A 0004 HIS NE2 6.647 C A 0005 HIS ND1
C A 0004 HIS NE2 6.076 C A 0005 HIS NE2
C A 0004 HIS ND1 9.244 C A 0006 HIS ND1
C A 0004 HIS ND1 10.98 C A 0006 HIS NE2
C A 0004 HIS NE2 10.23 C A 0006 HIS ND1
C A 0005 HIS ND1 6.734 C A 0006 HIS ND1
C A 0005 HIS ND1 8.752 C A 0006 HIS NE2
C A 0005 HIS NE2 6.247 C A 0006 HIS ND1
C A 0005 HIS NE2 8.089 C A 0006 HIS NE2
C A 0005 HIS ND1 9.314 C A 0007 HIS ND1
C A 0005 HIS ND1 9.446 C A 0007 HIS NE2
C A 0005 HIS NE2 10.42 C A 0007 HIS ND1
C A 0005 HIS NE2 10.91 C A 0007 HIS NE2
C A 0006 HIS ND1 9.523 C A 0007 HIS ND1
C A 0006 HIS ND1 10.42 C A 0007 HIS NE2
C A 0006 HIS NE2 10.24 C A 0007 HIS ND1
C A 0006 HIS NE2 11.39 C A 0007 HIS NE2
C A 0007 HIS ND1 11.87 C A 0011 ARG NH2
C A 0011 ARG NH1 11.88 H A 0061 LYS NZ
C A 0011 ARG NH2 11.57 H A 0061 LYS NZ
H A 0017 GLU OE1 11.49 H A 0023 GLU OE1
H A 0017 GLU OE1 11.91 H A 0066 GLU OE1
H A 0017 GLU OE1 11.79 H A 0066 GLU OE2
H A 0023 GLU OE1 10.66 H A 0066 GLU OE1
H A 0023 GLU OE1 8.801 H A 0066 GLU OE2
H A 0023 GLU OE2 11.95 H A 0066 GLU OE1
H A 0023 GLU OE2 10.25 H A 0066 GLU OE2
C A 0027 LYS NZ 10.95 H A 0033 ARG NH1
H A 0030 GLU OE1 11.87 H A 0032 GLU OE1
H A 0030 GLU OE2 11.56 H A 0032 GLU OE1
H A 0030 GLU OE1 10.22 H A 0071 GLU OE1
H A 0030 GLU OE1 9.778 H A 0071 GLU OE2
H A 0030 GLU OE2 10.90 H A 0071 GLU OE1
H A 0030 GLU OE2 10.86 H A 0071 GLU OE2
H A 0033 ARG NH1 9.217 H A 0034 LYS NZ
H A 0033 ARG NH2 8.340 H A 0034 LYS NZ
H A 0033 ARG NH1 11.04 H A 0038 ARG NH1
H A 0033 ARG NH2 9.151 H A 0038 ARG NH1
H A 0033 ARG NH2 10.22 H A 0038 ARG NH2
H A 0034 LYS NZ 8.256 H A 0035 LYS NZ
H A 0034 LYS NZ 6.402 H A 0038 ARG NH1
H A 0034 LYS NZ 6.377 H A 0038 ARG NH2
H A 0035 LYS NZ 10.46 H A 0038 ARG NH1
H A 0035 LYS NZ 11.37 H A 0038 ARG NH2
H A 0035 LYS NZ 8.846 H A 0039 ARG NH1
H A 0035 LYS NZ 10.32 H A 0039 ARG NH2
H A 0038 ARG NH1 11.87 C A 0045 HIS NE2
H A 0039 ARG NH1 9.651 H A 0043 LYS NZ
H A 0039 ARG NH2 8.667 H A 0043 LYS NZ
H A 0043 LYS NZ 11.30 C A 0045 HIS ND1
H A 0043 LYS NZ 9.143 C A 0048 LYS NZ
C A 0045 HIS ND1 9.166 C A 0048 LYS NZ
C A 0045 HIS NE2 10.91 C A 0048 LYS NZ
C A 0045 HIS ND1 9.978 H A 0053 HIS ND1
C A 0045 HIS ND1 9.297 H A 0053 HIS NE2
C A 0045 HIS NE2 11.27 H A 0053 HIS ND1
C A 0045 HIS NE2 10.24 H A 0053 HIS NE2
H A 0053 HIS NE2 11.92 H A 0061 LYS NZ
H A 0054 ASP OD1 8.640 H A 0058 GLU OE1
H A 0054 ASP OD1 9.136 H A 0058 GLU OE2
H A 0054 ASP OD2 7.377 H A 0058 GLU OE1
H A 0054 ASP OD2 7.933 H A 0058 GLU OE2
H A 0058 GLU OE1 11.10 H A 0066 GLU OE1
H A 0058 GLU OE2 10.59 H A 0066 GLU OE1
H A 0058 GLU OE2 11.80 H A 0066 GLU OE2
H A 0061 LYS NZ 10.56 H A 0062 HIS ND1
H A 0062 HIS ND1 5.074 H A 0069 ARG NH1
H A 0062 HIS ND1 5.296 H A 0069 ARG NH2
H A 0062 HIS NE2 5.729 H A 0069 ARG NH1
H A 0062 HIS NE2 5.253 H A 0069 ARG NH2
H A 0071 GLU OE1 9.995 C A 0077 ASP OD1
H A 0071 GLU OE1 11.82 C A 0077 ASP OD2
H A 0072 LYS NZ 11.74 C A 0082 ARG NH1
H A 0072 LYS NZ 11.45 C A 0082 ARG NH2
H A 0072 LYS NZ 9.850 C A 0085 ARG NH1
H A 0072 LYS NZ 11.98 C A 0085 ARG NH2
C A 0077 ASP OD1 11.20 C A 0081 ASP OD1
C A 0077 ASP OD1 11.16 C A 0081 ASP OD2
HB_MM 2.00 3.20 127
C A 0002 HIS N 2.249 C A 0001 MET O
C A 0003 HIS N 2.250 C A 0002 HIS O
C A 0004 HIS N 2.250 C A 0003 HIS O
C A 0005 HIS N 2.250 C A 0004 HIS O
C A 0006 HIS N 2.250 C A 0005 HIS O
C A 0007 HIS N 2.249 C A 0006 HIS O
C A 0008 LEU N 2.250 C A 0007 HIS O
C A 0009 VAL N 2.251 C A 0008 LEU O
C A 0010 PRO N 2.252 C A 0009 VAL O
C A 0011 ARG N 2.250 C A 0010 PRO O
C A 0012 GLY N 2.251 C A 0011 ARG O
C A 0013 SER N 2.249 C A 0012 GLY O
H A 0014 ILE N 2.250 C A 0013 SER O
H A 0015 LEU N 2.250 H A 0014 ILE O
H A 0016 LYS N 2.250 H A 0015 LEU O
H A 0017 GLU N 3.072 H A 0015 LEU O
H A 0017 GLU N 2.249 H A 0016 LYS O
H A 0018 VAL N 2.978 H A 0015 LEU O
H A 0018 VAL N 2.250 H A 0017 GLU O
H A 0019 THR N 3.095 H A 0015 LEU O
H A 0019 THR N 2.250 H A 0018 VAL O
H A 0020 SER N 2.250 H A 0019 THR O
H A 0021 VAL N 3.184 H A 0017 GLU O
H A 0021 VAL N 2.250 H A 0020 SER O
H A 0022 VAL N 3.060 H A 0018 VAL O
H A 0022 VAL N 2.249 H A 0021 VAL O
H A 0023 GLU N 2.250 H A 0022 VAL O
H A 0024 GLN N 3.049 H A 0020 SER O
H A 0024 GLN N 2.250 H A 0023 GLU O
H A 0025 ALA N 2.250 H A 0024 GLN O
C A 0026 TRP N 2.250 H A 0025 ALA O
C A 0027 LYS N 2.249 C A 0026 TRP O
C A 0028 LEU N 2.252 C A 0027 LYS O
C A 0029 PRO N 2.252 C A 0028 LEU O
H A 0030 GLU N 2.250 C A 0029 PRO O
H A 0031 SER N 2.250 H A 0030 GLU O
H A 0032 GLU N 2.249 H A 0031 SER O
H A 0033 ARG N 2.252 H A 0032 GLU O
H A 0034 LYS N 2.966 H A 0030 GLU O
H A 0034 LYS N 2.251 H A 0033 ARG O
H A 0035 LYS N 3.199 H A 0032 GLU O
H A 0035 LYS N 3.113 H A 0033 ARG O
H A 0035 LYS N 2.250 H A 0034 LYS O
H A 0036 ILE N 3.083 H A 0033 ARG O
H A 0036 ILE N 3.192 H A 0034 LYS O
H A 0036 ILE N 2.249 H A 0035 LYS O
H A 0037 ILE N 3.097 H A 0034 LYS O
H A 0037 ILE N 2.249 H A 0036 ILE O
H A 0038 ARG N 3.083 H A 0034 LYS O
H A 0038 ARG N 2.250 H A 0037 ILE O
H A 0039 ARG N 3.162 H A 0036 ILE O
H A 0039 ARG N 2.251 H A 0038 ARG O
H A 0040 LEU N 2.251 H A 0039 ARG O
H A 0041 TYR N 2.851 H A 0037 ILE O
H A 0041 TYR N 2.249 H A 0040 LEU O
H A 0042 LEU N 3.199 H A 0038 ARG O
H A 0042 LEU N 2.250 H A 0041 TYR O
H A 0043 LYS N 2.731 H A 0039 ARG O
H A 0043 LYS N 2.250 H A 0042 LEU O
H A 0044 TRP N 2.961 H A 0040 LEU O
H A 0044 TRP N 2.250 H A 0043 LYS O
C A 0045 HIS N 2.250 H A 0044 TRP O
C A 0046 PRO N 2.251 C A 0045 HIS O
C A 0047 ASP N 2.250 C A 0046 PRO O
C A 0048 LYS N 2.249 C A 0047 ASP O
C A 0049 ASN N 2.996 C A 0045 HIS O
C A 0049 ASN N 2.250 C A 0048 LYS O
C A 0050 PRO N 2.252 C A 0049 ASN O
C A 0051 GLU N 2.250 C A 0050 PRO O
H A 0052 ASN N 2.250 C A 0051 GLU O
H A 0053 HIS N 2.249 H A 0052 ASN O
H A 0054 ASP N 2.250 H A 0053 HIS O
H A 0055 ILE N 2.251 H A 0054 ASP O
H A 0056 ALA N 3.180 H A 0054 ASP O
H A 0056 ALA N 2.250 H A 0055 ILE O
H A 0057 ASN N 3.187 H A 0053 HIS O
H A 0057 ASN N 2.250 H A 0056 ALA O
H A 0058 GLU N 2.915 H A 0054 ASP O
H A 0058 GLU N 3.188 H A 0056 ALA O
H A 0058 GLU N 2.251 H A 0057 ASN O
H A 0059 VAL N 2.250 H A 0058 GLU O
H A 0060 PHE N 2.990 H A 0056 ALA O
H A 0060 PHE N 2.249 H A 0059 VAL O
H A 0061 LYS N 3.062 H A 0057 ASN O
H A 0061 LYS N 3.093 H A 0058 GLU O
H A 0061 LYS N 2.251 H A 0060 PHE O
H A 0062 HIS N 2.250 H A 0061 LYS O
H A 0063 LEU N 2.998 H A 0059 VAL O
H A 0063 LEU N 3.097 H A 0060 PHE O
H A 0063 LEU N 2.250 H A 0062 HIS O
H A 0064 GLN N 2.727 H A 0060 PHE O
H A 0064 GLN N 2.250 H A 0063 LEU O
H A 0065 ASN N 2.249 H A 0064 GLN O
H A 0066 GLU N 3.123 H A 0062 HIS O
H A 0066 GLU N 3.090 H A 0063 LEU O
H A 0066 GLU N 2.250 H A 0065 ASN O
H A 0067 ILE N 3.081 H A 0063 LEU O
H A 0067 ILE N 2.249 H A 0066 GLU O
H A 0068 ASN N 2.250 H A 0067 ILE O
H A 0069 ARG N 3.122 H A 0065 ASN O
H A 0069 ARG N 3.021 H A 0067 ILE O
H A 0069 ARG N 2.249 H A 0068 ASN O
H A 0070 LEU N 2.910 H A 0067 ILE O
H A 0070 LEU N 2.249 H A 0069 ARG O
H A 0071 GLU N 2.592 H A 0067 ILE O
H A 0071 GLU N 2.249 H A 0070 LEU O
H A 0072 LYS N 2.938 H A 0068 ASN O
H A 0072 LYS N 2.250 H A 0071 GLU O
H A 0073 GLN N 2.249 H A 0072 LYS O
H A 0074 ALA N 2.677 H A 0070 LEU O
H A 0074 ALA N 2.250 H A 0073 GLN O
C A 0075 PHE N 2.250 H A 0074 ALA O
C A 0076 LEU N 2.974 H A 0072 LYS O
C A 0076 LEU N 2.249 C A 0075 PHE O
C A 0077 ASP N 2.251 C A 0076 LEU O
C A 0078 GLN N 2.251 C A 0077 ASP O
C A 0079 ASN N 2.251 C A 0078 GLN O
C A 0080 ALA N 2.251 C A 0079 ASN O
C A 0081 ASP N 2.576 C A 0079 ASN O
C A 0081 ASP N 2.251 C A 0080 ALA O
C A 0082 ARG N 2.250 C A 0081 ASP O
C A 0083 ALA N 2.249 C A 0082 ARG O
C A 0084 SER N 2.251 C A 0083 ALA O
C A 0085 ARG N 2.251 C A 0084 SER O
C A 0086 ARG N 2.250 C A 0085 ARG O
C A 0087 THR N 2.250 C A 0086 ARG O
C A 0088 PHE N 2.251 C A 0087 THR O
HB_MS 2.00 3.20 6
C A 0005 HIS O 2.649 C A 0006 HIS ND1
H A 0015 LEU O 2.981 H A 0019 THR OG1
H A 0032 GLU N 3.158 H A 0031 SER OG
C A 0045 HIS O 2.590 C A 0049 ASN ND2
H A 0065 ASN O 3.175 H A 0068 ASN ND2
C A 0083 ALA N 2.955 C A 0081 ASP OD2
AROMATIC 0.00 8.00 6
H A 0041 TYR 4.686 H A 0060 PHE
C A 0045 HIS 5.160 H A 0060 PHE
H A 0069 ARG 5.716 H A 0062 HIS
C A 0004 HIS 5.551 C A 0005 HIS
H A 0033 ARG 6.461 C A 0075 PHE
H A 0033 ARG 5.814 C A 0026 TRP