Complet list of 1m8l con file
Complete list of 1m8l.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 355
C A 0001 MET C 2.462 C A 0002 GLU CA
C A 0001 MET C 3.170 C A 0002 GLU C
C A 0001 MET C 3.701 C A 0002 GLU CB
C A 0002 GLU C 2.476 C A 0003 GLN CA
C A 0002 GLU C 3.188 C A 0003 GLN C
C A 0002 GLU C 3.687 C A 0003 GLN CB
C A 0002 GLU CD 3.739 C A 0011 GLN CD
C A 0003 GLN C 2.476 C A 0004 ALA CA
C A 0003 GLN C 3.104 C A 0004 ALA C
C A 0003 GLN C 3.719 C A 0004 ALA CB
C A 0003 GLN CG 3.717 C A 0015 TYR CE2
C A 0003 GLN CG 3.682 C A 0015 TYR CZ
C A 0003 GLN CD 3.607 C A 0015 TYR CZ
C A 0003 GLN CD 3.760 H A 0018 TRP CZ3
C A 0004 ALA CA 2.978 C A 0005 PRO CD
C A 0004 ALA C 2.462 C A 0005 PRO CA
C A 0004 ALA C 3.190 C A 0005 PRO C
C A 0004 ALA C 3.632 C A 0005 PRO CB
C A 0004 ALA C 3.701 C A 0005 PRO CG
C A 0004 ALA C 2.508 C A 0005 PRO CD
C A 0005 PRO C 2.461 C A 0006 GLU CA
C A 0005 PRO C 2.999 C A 0006 GLU C
C A 0005 PRO C 3.726 C A 0006 GLU CB
C A 0006 GLU C 2.460 C A 0007 ASP CA
C A 0006 GLU C 3.177 C A 0007 ASP C
C A 0006 GLU C 3.684 C A 0007 ASP CB
C A 0007 ASP C 2.468 C A 0008 GLN CA
C A 0007 ASP C 3.085 C A 0008 GLN C
C A 0007 ASP C 3.723 C A 0008 GLN CB
C A 0008 GLN C 2.469 C A 0009 GLY CA
C A 0008 GLN C 3.232 C A 0009 GLY C
C A 0009 GLY CA 2.907 C A 0010 PRO CD
C A 0009 GLY C 2.480 C A 0010 PRO CA
C A 0009 GLY C 3.166 C A 0010 PRO C
C A 0009 GLY C 3.655 C A 0010 PRO CB
C A 0009 GLY C 3.690 C A 0010 PRO CG
C A 0009 GLY C 2.486 C A 0010 PRO CD
C A 0010 PRO C 2.477 C A 0011 GLN CA
C A 0010 PRO C 3.213 C A 0011 GLN C
C A 0010 PRO C 3.657 C A 0011 GLN CB
C A 0011 GLN C 2.450 C A 0012 ARG CA
C A 0011 GLN C 3.175 C A 0012 ARG C
C A 0011 GLN C 3.695 C A 0012 ARG CB
C A 0011 GLN CG 3.604 C A 0014 PRO CG
C A 0011 GLN CD 3.699 C A 0014 PRO CG
C A 0012 ARG C 2.501 C A 0013 GLU CA
C A 0012 ARG C 3.066 C A 0013 GLU C
C A 0012 ARG C 3.216 C A 0013 GLU CB
C A 0013 GLU CA 2.954 C A 0014 PRO CD
C A 0013 GLU C 2.472 C A 0014 PRO CA
C A 0013 GLU C 2.982 C A 0014 PRO C
C A 0013 GLU C 3.685 C A 0014 PRO CB
C A 0013 GLU C 3.642 C A 0014 PRO CG
C A 0013 GLU C 2.491 C A 0014 PRO CD
C A 0014 PRO C 2.453 C A 0015 TYR CA
C A 0014 PRO C 3.079 C A 0015 TYR C
C A 0014 PRO C 3.698 C A 0015 TYR CB
C A 0015 TYR C 2.467 C A 0016 ASN CA
C A 0015 TYR C 2.999 C A 0016 ASN C
C A 0015 TYR C 3.112 C A 0016 ASN CB
C A 0015 TYR CE1 3.755 H A 0018 TRP CE3
C A 0015 TYR CE1 3.677 H A 0018 TRP CZ3
C A 0016 ASN C 2.502 H A 0017 ASP CA
C A 0016 ASN C 3.666 H A 0017 ASP C
C A 0016 ASN C 3.172 H A 0017 ASP CB
C A 0016 ASN CG 3.609 H A 0054 TRP CZ2
C A 0016 ASN CG 3.797 H A 0054 TRP CH2
H A 0017 ASP C 2.474 H A 0018 TRP CA
H A 0017 ASP C 2.997 H A 0018 TRP C
H A 0017 ASP C 3.718 H A 0018 TRP CB
H A 0018 TRP C 2.477 H A 0019 THR CA
H A 0018 TRP C 2.994 H A 0019 THR C
H A 0018 TRP C 3.724 H A 0019 THR CB
H A 0018 TRP C 3.784 H A 0021 GLU CB
H A 0018 TRP CD1 3.766 H A 0022 LEU CG
H A 0019 THR C 2.465 H A 0020 LEU CA
H A 0019 THR C 3.107 H A 0020 LEU C
H A 0019 THR C 3.719 H A 0020 LEU CB
H A 0020 LEU C 2.476 H A 0021 GLU CA
H A 0020 LEU C 3.161 H A 0021 GLU C
H A 0020 LEU C 3.679 H A 0021 GLU CB
H A 0020 LEU CD2 3.798 H A 0054 TRP CZ3
H A 0021 GLU C 2.470 H A 0022 LEU CA
H A 0021 GLU C 3.037 H A 0022 LEU C
H A 0021 GLU C 3.743 H A 0022 LEU CB
H A 0022 LEU C 2.466 H A 0023 LEU CA
H A 0022 LEU C 2.972 H A 0023 LEU C
H A 0022 LEU C 3.715 H A 0023 LEU CB
H A 0023 LEU C 2.473 H A 0024 GLU CA
H A 0023 LEU C 3.011 H A 0024 GLU C
H A 0023 LEU C 3.707 H A 0024 GLU CB
H A 0023 LEU CD1 3.651 H A 0057 VAL CG1
H A 0023 LEU CD2 3.682 H A 0057 VAL CG1
H A 0023 LEU CD1 3.417 H A 0061 ILE CG1
H A 0023 LEU CD1 3.595 H A 0061 ILE CD1
H A 0024 GLU C 2.460 H A 0025 GLU CA
H A 0024 GLU C 3.066 H A 0025 GLU C
H A 0024 GLU C 3.715 H A 0025 GLU CB
H A 0025 GLU C 2.446 H A 0026 LEU CA
H A 0025 GLU C 3.046 H A 0026 LEU C
H A 0025 GLU C 3.726 H A 0026 LEU CB
H A 0026 LEU C 2.461 H A 0027 LYS CA
H A 0026 LEU C 3.080 H A 0027 LYS C
H A 0026 LEU C 3.709 H A 0027 LYS CB
H A 0026 LEU CD1 3.729 H A 0061 ILE CG2
H A 0027 LYS C 2.450 H A 0028 ASN CA
H A 0027 LYS C 3.001 H A 0028 ASN C
H A 0027 LYS C 3.718 H A 0028 ASN CB
H A 0028 ASN CA 3.799 H A 0029 GLU CA
H A 0028 ASN C 2.461 H A 0029 GLU CA
H A 0028 ASN C 2.940 H A 0029 GLU C
H A 0028 ASN C 3.729 H A 0029 GLU CB
H A 0029 GLU CA 3.776 H A 0030 ALA CA
H A 0029 GLU C 2.415 H A 0030 ALA CA
H A 0029 GLU C 3.023 H A 0030 ALA C
H A 0029 GLU C 3.726 H A 0030 ALA CB
H A 0030 ALA C 2.450 H A 0031 VAL CA
H A 0030 ALA C 3.103 H A 0031 VAL C
H A 0030 ALA C 3.728 H A 0031 VAL CB
H A 0030 ALA CB 3.436 H A 0064 LEU CD1
H A 0030 ALA CA 3.606 H A 0068 LEU CD1
H A 0030 ALA CB 3.257 H A 0068 LEU CD1
H A 0031 VAL C 2.454 H A 0032 ARG CA
H A 0031 VAL C 2.973 H A 0032 ARG C
H A 0031 VAL C 3.708 H A 0032 ARG CB
H A 0031 VAL CB 3.435 H A 0039 LEU CD1
H A 0031 VAL CG2 3.540 H A 0039 LEU CD1
H A 0032 ARG C 2.488 H A 0033 HIS CA
H A 0032 ARG C 3.230 H A 0033 HIS C
H A 0032 ARG C 3.678 H A 0033 HIS CB
H A 0033 HIS C 2.500 H A 0034 PHE CA
H A 0033 HIS C 3.573 H A 0034 PHE C
H A 0033 HIS C 3.424 H A 0034 PHE CB
H A 0033 HIS C 3.438 C A 0035 PRO CD
H A 0033 HIS CD2 3.575 H A 0068 LEU CD2
H A 0033 HIS CD2 3.643 H A 0072 PHE CD2
H A 0033 HIS CD2 3.762 H A 0072 PHE CE1
H A 0033 HIS CD2 3.593 H A 0072 PHE CE2
H A 0033 HIS CD2 3.657 H A 0072 PHE CZ
H A 0034 PHE CA 2.937 C A 0035 PRO CD
H A 0034 PHE C 2.476 C A 0035 PRO CA
H A 0034 PHE C 3.133 C A 0035 PRO C
H A 0034 PHE C 3.656 C A 0035 PRO CB
H A 0034 PHE C 3.693 C A 0035 PRO CG
H A 0034 PHE C 2.490 C A 0035 PRO CD
H A 0034 PHE CD2 3.632 C A 0036 ARG CB
H A 0034 PHE CE2 3.796 C A 0036 ARG CB
H A 0034 PHE CE2 3.724 H A 0064 LEU CD2
H A 0034 PHE CE1 3.564 H A 0067 LEU CD2
H A 0034 PHE CZ 3.390 H A 0067 LEU CD2
C A 0035 PRO C 2.476 C A 0036 ARG CA
C A 0035 PRO C 3.436 C A 0036 ARG C
C A 0035 PRO C 3.571 C A 0036 ARG CB
C A 0036 ARG C 2.511 H A 0037 ILE CA
C A 0036 ARG C 3.256 H A 0037 ILE C
C A 0036 ARG C 3.080 H A 0037 ILE CB
C A 0036 ARG C 3.772 H A 0037 ILE CG2
C A 0036 ARG CG 3.564 H A 0038 TRP CB
H A 0037 ILE C 2.493 H A 0038 TRP CA
H A 0037 ILE C 2.981 H A 0038 TRP C
H A 0037 ILE C 3.699 H A 0038 TRP CB
H A 0038 TRP C 2.506 H A 0039 LEU CA
H A 0038 TRP C 2.954 H A 0039 LEU C
H A 0038 TRP C 3.728 H A 0039 LEU CB
H A 0038 TRP CD1 3.778 H A 0042 LEU CG
H A 0038 TRP CD2 3.791 H A 0042 LEU CD1
H A 0038 TRP CE2 3.732 H A 0042 LEU CD1
H A 0038 TRP CZ3 3.568 H A 0067 LEU CD1
H A 0038 TRP CH2 3.629 H A 0067 LEU CD1
H A 0039 LEU C 2.477 H A 0040 HIS CA
H A 0039 LEU C 3.092 H A 0040 HIS C
H A 0039 LEU C 3.712 H A 0040 HIS CB
H A 0039 LEU CD2 3.656 H A 0064 LEU CG
H A 0039 LEU CD2 3.698 H A 0064 LEU CD2
H A 0040 HIS C 2.472 H A 0041 SER CA
H A 0040 HIS C 3.059 H A 0041 SER C
H A 0040 HIS C 3.729 H A 0041 SER CB
H A 0040 HIS CD2 3.485 H A 0044 GLN CD
H A 0041 SER C 2.459 H A 0042 LEU CA
H A 0041 SER C 3.038 H A 0042 LEU C
H A 0041 SER C 3.737 H A 0042 LEU CB
H A 0042 LEU C 2.458 H A 0043 GLY CA
H A 0042 LEU C 3.055 H A 0043 GLY C
H A 0042 LEU CB 3.690 H A 0060 LEU CD1
H A 0043 GLY C 2.457 H A 0044 GLN CA
H A 0043 GLY C 2.996 H A 0044 GLN C
H A 0043 GLY C 3.741 H A 0044 GLN CB
H A 0044 GLN C 2.452 H A 0045 HIS CA
H A 0044 GLN C 3.015 H A 0045 HIS C
H A 0044 GLN C 3.727 H A 0045 HIS CB
H A 0045 HIS C 2.455 H A 0046 ILE CA
H A 0045 HIS C 3.084 H A 0046 ILE C
H A 0045 HIS C 3.720 H A 0046 ILE CB
H A 0046 ILE C 2.419 H A 0047 TYR CA
H A 0046 ILE C 3.077 H A 0047 TYR C
H A 0046 ILE C 3.703 H A 0047 TYR CB
H A 0046 ILE CD1 3.636 H A 0060 LEU CB
H A 0047 TYR C 2.447 H A 0048 GLU CA
H A 0047 TYR C 3.100 H A 0048 GLU C
H A 0047 TYR C 3.730 H A 0048 GLU CB
H A 0047 TYR CD1 3.767 C A 0051 GLY CA
H A 0047 TYR CD1 3.661 C A 0051 GLY C
H A 0047 TYR CD1 3.730 C A 0052 ASP CG
H A 0048 GLU C 2.479 H A 0049 THR CA
H A 0048 GLU C 3.218 H A 0049 THR C
H A 0048 GLU C 3.711 H A 0049 THR CB
H A 0049 THR C 2.478 H A 0050 TYR CA
H A 0049 THR C 3.502 H A 0050 TYR C
H A 0049 THR C 3.522 H A 0050 TYR CB
H A 0049 THR C 3.799 H A 0050 TYR CG
H A 0050 TYR C 2.476 C A 0051 GLY CA
H A 0050 TYR C 3.372 C A 0051 GLY C
H A 0050 TYR CG 3.733 H A 0056 GLY CA
H A 0050 TYR CD2 3.627 H A 0056 GLY CA
H A 0050 TYR CE2 3.679 H A 0056 GLY CA
C A 0051 GLY C 2.497 C A 0052 ASP CA
C A 0051 GLY C 2.983 C A 0052 ASP C
C A 0051 GLY C 3.275 C A 0052 ASP CB
C A 0052 ASP C 2.469 H A 0053 THR CA
C A 0052 ASP C 3.032 H A 0053 THR C
C A 0052 ASP C 3.722 H A 0053 THR CB
H A 0053 THR C 2.447 H A 0054 TRP CA
H A 0053 THR C 2.942 H A 0054 TRP C
H A 0053 THR C 3.721 H A 0054 TRP CB
H A 0054 TRP C 2.467 H A 0055 THR CA
H A 0054 TRP C 3.038 H A 0055 THR C
H A 0054 TRP C 3.731 H A 0055 THR CB
H A 0055 THR C 2.475 H A 0056 GLY CA
H A 0055 THR C 3.130 H A 0056 GLY C
H A 0056 GLY C 2.466 H A 0057 VAL CA
H A 0056 GLY C 3.079 H A 0057 VAL C
H A 0056 GLY C 3.724 H A 0057 VAL CB
H A 0057 VAL C 2.450 H A 0058 GLU CA
H A 0057 VAL C 3.020 H A 0058 GLU C
H A 0057 VAL C 3.703 H A 0058 GLU CB
H A 0058 GLU C 2.467 H A 0059 ALA CA
H A 0058 GLU C 3.022 H A 0059 ALA C
H A 0058 GLU C 3.731 H A 0059 ALA CB
H A 0059 ALA C 2.455 H A 0060 LEU CA
H A 0059 ALA C 2.983 H A 0060 LEU C
H A 0059 ALA C 3.725 H A 0060 LEU CB
H A 0060 LEU CA 3.784 H A 0061 ILE CA
H A 0060 LEU C 2.429 H A 0061 ILE CA
H A 0060 LEU C 3.010 H A 0061 ILE C
H A 0060 LEU C 3.702 H A 0061 ILE CB
H A 0061 ILE C 2.439 H A 0062 ARG CA
H A 0061 ILE C 3.035 H A 0062 ARG C
H A 0061 ILE C 3.716 H A 0062 ARG CB
H A 0062 ARG C 2.453 H A 0063 ILE CA
H A 0062 ARG C 3.080 H A 0063 ILE C
H A 0062 ARG C 3.714 H A 0063 ILE CB
H A 0063 ILE C 2.460 H A 0064 LEU CA
H A 0063 ILE C 3.069 H A 0064 LEU C
H A 0063 ILE C 3.697 H A 0064 LEU CB
H A 0064 LEU C 2.478 H A 0065 GLN CA
H A 0064 LEU C 3.033 H A 0065 GLN C
H A 0064 LEU C 3.708 H A 0065 GLN CB
H A 0065 GLN CA 3.799 H A 0066 GLN CA
H A 0065 GLN C 2.451 H A 0066 GLN CA
H A 0065 GLN C 3.010 H A 0066 GLN C
H A 0065 GLN C 3.695 H A 0066 GLN CB
H A 0066 GLN CA 3.799 H A 0067 LEU CA
H A 0066 GLN C 2.449 H A 0067 LEU CA
H A 0066 GLN C 2.983 H A 0067 LEU C
H A 0066 GLN C 3.715 H A 0067 LEU CB
H A 0067 LEU CA 3.792 H A 0068 LEU CA
H A 0067 LEU C 2.437 H A 0068 LEU CA
H A 0067 LEU C 2.943 H A 0068 LEU C
H A 0067 LEU C 3.697 H A 0068 LEU CB
H A 0067 LEU CD2 3.603 H A 0071 HIS CD2
H A 0068 LEU CA 3.795 H A 0069 PHE CA
H A 0068 LEU C 2.471 H A 0069 PHE CA
H A 0068 LEU C 2.965 H A 0069 PHE C
H A 0068 LEU C 3.747 H A 0069 PHE CB
H A 0069 PHE C 2.431 H A 0070 ILE CA
H A 0069 PHE C 3.013 H A 0070 ILE C
H A 0069 PHE C 3.731 H A 0070 ILE CB
H A 0070 ILE C 2.455 H A 0071 HIS CA
H A 0070 ILE C 3.139 H A 0071 HIS C
H A 0070 ILE C 3.706 H A 0071 HIS CB
H A 0071 HIS C 2.492 H A 0072 PHE CA
H A 0071 HIS C 3.199 H A 0072 PHE C
H A 0071 HIS C 3.667 H A 0072 PHE CB
H A 0072 PHE C 2.469 H A 0073 ARG CA
H A 0072 PHE C 3.028 H A 0073 ARG C
H A 0072 PHE C 3.727 H A 0073 ARG CB
H A 0073 ARG C 2.465 H A 0074 ILE CA
H A 0073 ARG C 2.984 H A 0074 ILE C
H A 0073 ARG C 3.744 H A 0074 ILE CB
H A 0074 ILE C 2.473 H A 0075 GLY CA
H A 0074 ILE C 3.059 H A 0075 GLY C
H A 0075 GLY C 2.459 H A 0076 CYS CA
H A 0075 GLY C 3.094 H A 0076 CYS C
H A 0075 GLY C 3.716 H A 0076 CYS CB
H A 0075 GLY CA 3.641 C A 0080 ARG CZ
H A 0076 CYS C 2.463 H A 0077 ARG CA
H A 0076 CYS C 3.112 H A 0077 ARG C
H A 0076 CYS C 3.700 H A 0077 ARG CB
H A 0077 ARG C 2.473 H A 0078 HIS CA
H A 0077 ARG C 3.120 H A 0078 HIS C
H A 0077 ARG C 3.721 H A 0078 HIS CB
H A 0078 HIS C 2.467 C A 0079 SER CA
H A 0078 HIS C 2.992 C A 0079 SER C
H A 0078 HIS C 3.723 C A 0079 SER CB
C A 0079 SER C 2.502 C A 0080 ARG CA
C A 0079 SER C 2.964 C A 0080 ARG C
C A 0079 SER C 3.192 C A 0080 ARG CB
C A 0080 ARG C 2.483 C A 0081 ILE CA
C A 0080 ARG C 3.163 C A 0081 ILE C
C A 0080 ARG C 3.723 C A 0081 ILE CB
C A 0081 ILE C 2.469 C A 0082 GLY CA
C A 0081 ILE C 3.103 C A 0082 GLY C
C A 0082 GLY C 2.474 C A 0083 ILE CA
C A 0082 GLY C 3.228 C A 0083 ILE C
C A 0082 GLY C 3.681 C A 0083 ILE CB
C A 0083 ILE C 2.470 C A 0084 ILE CA
C A 0083 ILE C 3.075 C A 0084 ILE C
C A 0083 ILE C 3.731 C A 0084 ILE CB
C A 0084 ILE C 2.466 C A 0085 GLN CA
C A 0084 ILE C 3.050 C A 0085 GLN C
C A 0084 ILE C 3.711 C A 0085 GLN CB
C A 0085 GLN C 2.483 C A 0086 GLN CA
C A 0085 GLN C 2.999 C A 0086 GLN C
C A 0085 GLN C 3.752 C A 0086 GLN CB
C A 0086 GLN C 2.473 C A 0087 ARG CA
C A 0086 GLN C 3.310 C A 0087 ARG C
C A 0086 GLN C 3.653 C A 0087 ARG CB
C A 0086 GLN CG 3.740 C A 0091 ASN CB
C A 0087 ARG C 2.447 C A 0088 ARG CA
C A 0087 ARG C 3.024 C A 0088 ARG C
C A 0087 ARG C 3.717 C A 0088 ARG CB
C A 0087 ARG CB 3.703 C A 0090 ARG C
C A 0088 ARG C 2.471 C A 0089 THR CA
C A 0088 ARG C 3.204 C A 0089 THR C
C A 0088 ARG C 3.691 C A 0089 THR CB
C A 0089 THR C 2.474 C A 0090 ARG CA
C A 0089 THR C 3.628 C A 0090 ARG C
C A 0089 THR C 3.302 C A 0090 ARG CB
C A 0090 ARG C 2.481 C A 0091 ASN CA
C A 0090 ARG C 3.039 C A 0091 ASN C
C A 0090 ARG C 3.735 C A 0091 ASN CB
C A 0091 ASN C 2.463 C A 0092 GLY CA
C A 0091 ASN C 3.178 C A 0092 GLY C
C A 0092 GLY C 2.503 C A 0093 ALA CA
C A 0092 GLY C 3.115 C A 0093 ALA C
C A 0092 GLY C 3.151 C A 0093 ALA CB
C A 0093 ALA C 2.480 C A 0094 SER CA
C A 0093 ALA C 3.663 C A 0094 SER C
C A 0093 ALA C 3.235 C A 0094 SER CB
C A 0094 SER C 2.482 C A 0095 LYS CA
C A 0094 SER C 2.973 C A 0095 LYS C
C A 0094 SER C 3.164 C A 0095 LYS CB
C A 0095 LYS C 2.488 C A 0096 SER CA
C A 0095 LYS C 3.010 C A 0096 SER C
C A 0095 LYS C 3.723 C A 0096 SER CB
CHARGE_ATTR 2.00 12.00 45
C A 0002 GLU OE1 10.48 C A 0012 ARG NH1
C A 0002 GLU OE1 10.41 C A 0012 ARG NH2
C A 0002 GLU OE2 11.86 C A 0012 ARG NH1
C A 0013 GLU OE1 4.722 C A 0012 ARG NH1
C A 0013 GLU OE1 2.987 C A 0012 ARG NH2
C A 0013 GLU OE2 6.952 C A 0012 ARG NH1
C A 0013 GLU OE2 5.126 C A 0012 ARG NH2
H A 0017 ASP OD1 9.696 C A 0012 ARG NH1
H A 0017 ASP OD1 9.549 C A 0012 ARG NH2
H A 0017 ASP OD2 8.389 C A 0012 ARG NH1
H A 0017 ASP OD2 8.067 C A 0012 ARG NH2
H A 0021 GLU OE1 11.37 H A 0027 LYS NZ
H A 0024 GLU OE1 4.175 H A 0027 LYS NZ
H A 0024 GLU OE2 6.098 H A 0027 LYS NZ
H A 0024 GLU OE1 9.483 H A 0040 HIS ND1
H A 0024 GLU OE1 11.45 H A 0040 HIS NE2
H A 0024 GLU OE2 11.03 H A 0040 HIS ND1
H A 0025 GLU OE1 10.74 H A 0032 ARG NH1
H A 0029 GLU OE1 8.975 H A 0032 ARG NH1
H A 0029 GLU OE1 10.72 H A 0032 ARG NH2
H A 0029 GLU OE2 7.100 H A 0032 ARG NH1
H A 0029 GLU OE2 8.680 H A 0032 ARG NH2
H A 0029 GLU OE1 7.632 H A 0033 HIS ND1
H A 0029 GLU OE1 7.033 H A 0033 HIS NE2
H A 0029 GLU OE2 6.491 H A 0033 HIS ND1
H A 0029 GLU OE2 6.215 H A 0033 HIS NE2
H A 0029 GLU OE1 11.34 H A 0062 ARG NH1
H A 0029 GLU OE2 11.86 C A 0080 ARG NH2
H A 0048 GLU OE2 11.98 H A 0040 HIS NE2
H A 0048 GLU OE1 5.422 H A 0045 HIS ND1
H A 0048 GLU OE1 7.502 H A 0045 HIS NE2
H A 0048 GLU OE2 3.135 H A 0045 HIS ND1
H A 0048 GLU OE2 5.233 H A 0045 HIS NE2
C A 0052 ASP OD1 10.13 H A 0027 LYS NZ
C A 0052 ASP OD2 9.589 H A 0027 LYS NZ
C A 0052 ASP OD1 9.958 H A 0040 HIS ND1
C A 0052 ASP OD1 9.748 H A 0040 HIS NE2
C A 0052 ASP OD2 9.254 H A 0040 HIS ND1
C A 0052 ASP OD2 9.011 H A 0040 HIS NE2
C A 0052 ASP OD1 9.461 H A 0045 HIS ND1
C A 0052 ASP OD1 10.19 H A 0045 HIS NE2
C A 0052 ASP OD2 11.13 H A 0045 HIS ND1
H A 0058 GLU OE1 10.97 H A 0062 ARG NH1
H A 0058 GLU OE2 9.584 H A 0062 ARG NH1
H A 0058 GLU OE2 10.74 H A 0062 ARG NH2
CHARGE_REPU 2.00 12.00 100
C A 0002 GLU OE2 11.14 C A 0007 ASP OD1
C A 0002 GLU OE2 11.74 C A 0007 ASP OD2
C A 0002 GLU OE1 8.351 C A 0013 GLU OE1
C A 0002 GLU OE1 8.218 C A 0013 GLU OE2
C A 0002 GLU OE2 10.27 C A 0013 GLU OE1
C A 0002 GLU OE2 10.34 C A 0013 GLU OE2
C A 0002 GLU OE1 10.58 H A 0017 ASP OD1
C A 0002 GLU OE1 11.41 H A 0017 ASP OD2
C A 0006 GLU OE1 6.761 C A 0007 ASP OD1
C A 0006 GLU OE1 5.305 C A 0007 ASP OD2
C A 0006 GLU OE2 6.070 C A 0007 ASP OD1
C A 0006 GLU OE2 5.166 C A 0007 ASP OD2
C A 0013 GLU OE1 8.842 H A 0017 ASP OD1
C A 0013 GLU OE1 7.795 H A 0017 ASP OD2
C A 0013 GLU OE2 8.682 H A 0017 ASP OD1
C A 0013 GLU OE2 7.858 H A 0017 ASP OD2
C A 0013 GLU OE1 11.93 H A 0021 GLU OE2
C A 0013 GLU OE2 11.49 H A 0021 GLU OE2
H A 0017 ASP OD1 6.444 H A 0021 GLU OE1
H A 0017 ASP OD1 4.457 H A 0021 GLU OE2
H A 0017 ASP OD2 6.486 H A 0021 GLU OE1
H A 0017 ASP OD2 4.495 H A 0021 GLU OE2
H A 0017 ASP OD1 11.63 H A 0024 GLU OE2
H A 0017 ASP OD2 11.72 H A 0024 GLU OE1
H A 0017 ASP OD2 11.01 H A 0024 GLU OE2
H A 0017 ASP OD1 11.08 H A 0025 GLU OE2
H A 0021 GLU OE1 7.218 H A 0024 GLU OE1
H A 0021 GLU OE1 5.764 H A 0024 GLU OE2
H A 0021 GLU OE2 8.178 H A 0024 GLU OE1
H A 0021 GLU OE2 7.227 H A 0024 GLU OE2
H A 0021 GLU OE1 9.737 H A 0025 GLU OE1
H A 0021 GLU OE1 7.726 H A 0025 GLU OE2
H A 0021 GLU OE2 10.66 H A 0025 GLU OE1
H A 0021 GLU OE2 8.460 H A 0025 GLU OE2
H A 0024 GLU OE1 11.56 H A 0025 GLU OE1
H A 0024 GLU OE1 10.45 H A 0025 GLU OE2
H A 0024 GLU OE2 10.97 H A 0025 GLU OE1
H A 0024 GLU OE2 9.772 H A 0025 GLU OE2
H A 0024 GLU OE1 11.48 C A 0052 ASP OD2
H A 0024 GLU OE1 11.44 H A 0058 GLU OE1
H A 0025 GLU OE1 9.581 H A 0029 GLU OE1
H A 0025 GLU OE1 10.00 H A 0029 GLU OE2
H A 0025 GLU OE2 11.13 H A 0029 GLU OE1
H A 0025 GLU OE2 11.76 H A 0029 GLU OE2
H A 0025 GLU OE2 11.34 H A 0058 GLU OE1
H A 0027 LYS NZ 5.690 H A 0040 HIS ND1
H A 0027 LYS NZ 7.739 H A 0040 HIS NE2
H A 0032 ARG NH1 9.901 H A 0033 HIS ND1
H A 0032 ARG NH1 10.96 H A 0033 HIS NE2
H A 0032 ARG NH2 10.04 H A 0033 HIS ND1
H A 0032 ARG NH2 11.38 H A 0033 HIS NE2
H A 0033 HIS ND1 11.05 C A 0036 ARG NH1
H A 0033 HIS NE2 11.14 C A 0036 ARG NH1
H A 0033 HIS ND1 10.07 H A 0071 HIS ND1
H A 0033 HIS ND1 10.52 H A 0071 HIS NE2
H A 0033 HIS NE2 8.798 H A 0071 HIS ND1
H A 0033 HIS NE2 9.451 H A 0071 HIS NE2
H A 0033 HIS ND1 8.281 C A 0080 ARG NH1
H A 0033 HIS ND1 6.268 C A 0080 ARG NH2
H A 0033 HIS NE2 7.353 C A 0080 ARG NH1
H A 0033 HIS NE2 5.645 C A 0080 ARG NH2
C A 0036 ARG NH1 7.928 H A 0071 HIS ND1
C A 0036 ARG NH1 6.132 H A 0071 HIS NE2
C A 0036 ARG NH2 9.002 H A 0071 HIS ND1
C A 0036 ARG NH2 7.252 H A 0071 HIS NE2
C A 0036 ARG NH1 10.54 C A 0080 ARG NH1
C A 0036 ARG NH1 10.72 C A 0080 ARG NH2
C A 0036 ARG NH2 11.59 C A 0080 ARG NH1
H A 0048 GLU OE1 10.28 C A 0052 ASP OD1
H A 0048 GLU OE1 11.07 C A 0052 ASP OD2
H A 0048 GLU OE2 9.738 C A 0052 ASP OD1
H A 0048 GLU OE2 10.94 C A 0052 ASP OD2
H A 0071 HIS ND1 9.873 H A 0078 HIS ND1
H A 0071 HIS ND1 10.44 H A 0078 HIS NE2
H A 0071 HIS ND1 4.958 C A 0080 ARG NH1
H A 0071 HIS ND1 6.449 C A 0080 ARG NH2
H A 0071 HIS NE2 6.793 C A 0080 ARG NH1
H A 0071 HIS NE2 7.942 C A 0080 ARG NH2
H A 0073 ARG NH1 9.229 H A 0077 ARG NH1
H A 0073 ARG NH1 11.55 H A 0077 ARG NH2
H A 0073 ARG NH2 8.004 H A 0077 ARG NH1
H A 0073 ARG NH2 10.28 H A 0077 ARG NH2
H A 0073 ARG NH1 10.33 H A 0078 HIS ND1
H A 0073 ARG NH1 11.65 H A 0078 HIS NE2
H A 0073 ARG NH2 10.23 H A 0078 HIS ND1
H A 0073 ARG NH2 11.24 H A 0078 HIS NE2
H A 0077 ARG NH1 6.102 H A 0078 HIS ND1
H A 0077 ARG NH1 6.521 H A 0078 HIS NE2
H A 0077 ARG NH2 6.816 H A 0078 HIS ND1
H A 0077 ARG NH2 6.779 H A 0078 HIS NE2
H A 0078 HIS ND1 6.760 C A 0080 ARG NH1
H A 0078 HIS ND1 7.931 C A 0080 ARG NH2
H A 0078 HIS NE2 7.843 C A 0080 ARG NH1
H A 0078 HIS NE2 9.379 C A 0080 ARG NH2
C A 0080 ARG NH1 11.71 C A 0088 ARG NH1
C A 0080 ARG NH2 11.56 C A 0088 ARG NH1
C A 0087 ARG NH1 11.26 C A 0090 ARG NH1
C A 0087 ARG NH1 9.884 C A 0095 LYS NZ
C A 0087 ARG NH2 8.377 C A 0095 LYS NZ
C A 0088 ARG NH2 11.45 C A 0090 ARG NH1
HB_MM 2.00 3.20 171
C A 0002 GLU N 2.259 C A 0001 MET O
C A 0003 GLN N 2.255 C A 0002 GLU O
C A 0004 ALA N 2.874 C A 0002 GLU O
C A 0004 ALA N 2.255 C A 0003 GLN O
C A 0005 PRO N 2.252 C A 0004 ALA O
C A 0006 GLU N 2.254 C A 0005 PRO O
C A 0007 ASP N 2.258 C A 0006 GLU O
C A 0008 GLN N 3.059 C A 0006 GLU O
C A 0008 GLN N 2.259 C A 0007 ASP O
C A 0009 GLY N 2.911 C A 0007 ASP O
C A 0009 GLY N 2.258 C A 0008 GLN O
C A 0010 PRO N 2.259 C A 0009 GLY O
C A 0011 GLN N 2.813 C A 0009 GLY O
C A 0011 GLN N 2.254 C A 0010 PRO O
C A 0012 ARG N 3.083 C A 0010 PRO O
C A 0012 ARG N 2.254 C A 0011 GLN O
C A 0013 GLU N 3.075 C A 0011 GLN O
C A 0013 GLU N 2.265 C A 0012 ARG O
C A 0014 PRO N 2.252 C A 0013 GLU O
C A 0015 TYR N 2.253 C A 0014 PRO O
C A 0016 ASN N 2.253 C A 0015 TYR O
H A 0017 ASP N 2.257 C A 0016 ASN O
H A 0018 TRP N 2.965 C A 0014 PRO O
H A 0018 TRP N 2.264 H A 0017 ASP O
H A 0019 THR N 2.253 H A 0018 TRP O
H A 0020 LEU N 2.257 H A 0019 THR O
H A 0021 GLU N 2.953 H A 0017 ASP O
H A 0021 GLU N 2.979 H A 0018 TRP O
H A 0021 GLU N 2.244 H A 0020 LEU O
H A 0022 LEU N 2.787 H A 0018 TRP O
H A 0022 LEU N 2.252 H A 0021 GLU O
H A 0023 LEU N 2.979 H A 0019 THR O
H A 0023 LEU N 2.260 H A 0022 LEU O
H A 0024 GLU N 2.925 H A 0020 LEU O
H A 0024 GLU N 2.260 H A 0023 LEU O
H A 0025 GLU N 2.865 H A 0021 GLU O
H A 0025 GLU N 3.164 H A 0022 LEU O
H A 0025 GLU N 3.153 H A 0023 LEU O
H A 0025 GLU N 2.250 H A 0024 GLU O
H A 0026 LEU N 2.978 H A 0022 LEU O
H A 0026 LEU N 3.048 H A 0023 LEU O
H A 0026 LEU N 2.259 H A 0025 GLU O
H A 0027 LYS N 2.800 H A 0023 LEU O
H A 0027 LYS N 2.253 H A 0026 LEU O
H A 0028 ASN N 2.887 H A 0024 GLU O
H A 0028 ASN N 2.258 H A 0027 LYS O
H A 0029 GLU N 2.889 H A 0025 GLU O
H A 0029 GLU N 2.265 H A 0028 ASN O
H A 0030 ALA N 3.007 H A 0026 LEU O
H A 0030 ALA N 2.263 H A 0029 GLU O
H A 0031 VAL N 2.845 H A 0027 LYS O
H A 0031 VAL N 2.246 H A 0030 ALA O
H A 0032 ARG N 2.964 H A 0028 ASN O
H A 0032 ARG N 2.254 H A 0031 VAL O
H A 0033 HIS N 3.178 H A 0030 ALA O
H A 0033 HIS N 2.261 H A 0032 ARG O
H A 0034 PHE N 2.709 H A 0030 ALA O
H A 0034 PHE N 2.252 H A 0033 HIS O
C A 0035 PRO N 3.093 H A 0031 VAL O
C A 0035 PRO N 2.250 H A 0034 PHE O
C A 0036 ARG N 2.771 H A 0034 PHE O
C A 0036 ARG N 2.259 C A 0035 PRO O
H A 0037 ILE N 2.260 C A 0036 ARG O
H A 0038 TRP N 3.105 C A 0036 ARG O
H A 0038 TRP N 2.252 H A 0037 ILE O
H A 0039 LEU N 3.065 H A 0037 ILE O
H A 0039 LEU N 2.269 H A 0038 TRP O
H A 0040 HIS N 2.937 H A 0037 ILE O
H A 0040 HIS N 3.072 H A 0038 TRP O
H A 0040 HIS N 2.260 H A 0039 LEU O
H A 0041 SER N 2.892 H A 0038 TRP O
H A 0041 SER N 2.256 H A 0040 HIS O
H A 0042 LEU N 2.853 H A 0038 TRP O
H A 0042 LEU N 2.251 H A 0041 SER O
H A 0043 GLY N 3.012 H A 0040 HIS O
H A 0043 GLY N 2.252 H A 0042 LEU O
H A 0044 GLN N 3.016 H A 0040 HIS O
H A 0044 GLN N 2.258 H A 0043 GLY O
H A 0045 HIS N 2.938 H A 0041 SER O
H A 0045 HIS N 2.254 H A 0044 GLN O
H A 0046 ILE N 2.859 H A 0042 LEU O
H A 0046 ILE N 3.087 H A 0043 GLY O
H A 0046 ILE N 2.254 H A 0045 HIS O
H A 0047 TYR N 2.853 H A 0043 GLY O
H A 0047 TYR N 3.068 H A 0044 GLN O
H A 0047 TYR N 2.234 H A 0046 ILE O
H A 0048 GLU N 2.945 H A 0045 HIS O
H A 0048 GLU N 2.243 H A 0047 TYR O
H A 0049 THR N 2.993 H A 0045 HIS O
H A 0049 THR N 2.262 H A 0048 GLU O
H A 0050 TYR N 2.781 H A 0046 ILE O
H A 0050 TYR N 2.252 H A 0049 THR O
C A 0051 GLY N 3.025 H A 0046 ILE O
C A 0051 GLY N 2.261 H A 0050 TYR O
C A 0052 ASP N 2.267 C A 0051 GLY O
H A 0053 THR N 2.262 C A 0052 ASP O
H A 0054 TRP N 2.256 H A 0053 THR O
H A 0055 THR N 2.945 H A 0053 THR O
H A 0055 THR N 2.261 H A 0054 TRP O
H A 0056 GLY N 2.840 H A 0053 THR O
H A 0056 GLY N 2.257 H A 0055 THR O
H A 0057 VAL N 2.876 H A 0053 THR O
H A 0057 VAL N 2.248 H A 0056 GLY O
H A 0058 GLU N 3.045 H A 0054 TRP O
H A 0058 GLU N 2.251 H A 0057 VAL O
H A 0059 ALA N 2.892 H A 0055 THR O
H A 0059 ALA N 2.257 H A 0058 GLU O
H A 0060 LEU N 2.828 H A 0056 GLY O
H A 0060 LEU N 2.253 H A 0059 ALA O
H A 0061 ILE N 3.022 H A 0057 VAL O
H A 0061 ILE N 2.254 H A 0060 LEU O
H A 0062 ARG N 2.875 H A 0058 GLU O
H A 0062 ARG N 3.186 H A 0059 ALA O
H A 0062 ARG N 2.247 H A 0061 ILE O
H A 0063 ILE N 2.980 H A 0059 ALA O
H A 0063 ILE N 2.253 H A 0062 ARG O
H A 0064 LEU N 2.841 H A 0060 LEU O
H A 0064 LEU N 2.250 H A 0063 ILE O
H A 0065 GLN N 2.822 H A 0061 ILE O
H A 0065 GLN N 2.248 H A 0064 LEU O
H A 0066 GLN N 2.990 H A 0062 ARG O
H A 0066 GLN N 2.255 H A 0065 GLN O
H A 0067 LEU N 2.867 H A 0063 ILE O
H A 0067 LEU N 2.251 H A 0066 GLN O
H A 0068 LEU N 2.803 H A 0064 LEU O
H A 0068 LEU N 2.258 H A 0067 LEU O
H A 0069 PHE N 2.825 H A 0065 GLN O
H A 0069 PHE N 3.047 H A 0066 GLN O
H A 0069 PHE N 2.264 H A 0068 LEU O
H A 0070 ILE N 3.112 H A 0066 GLN O
H A 0070 ILE N 3.012 H A 0068 LEU O
H A 0070 ILE N 2.252 H A 0069 PHE O
H A 0071 HIS N 2.795 H A 0068 LEU O
H A 0071 HIS N 2.250 H A 0070 ILE O
H A 0072 PHE N 2.700 H A 0068 LEU O
H A 0072 PHE N 2.253 H A 0071 HIS O
H A 0073 ARG N 2.862 H A 0069 PHE O
H A 0073 ARG N 2.258 H A 0072 PHE O
H A 0074 ILE N 3.029 H A 0070 ILE O
H A 0074 ILE N 2.263 H A 0073 ARG O
H A 0075 GLY N 2.851 H A 0071 HIS O
H A 0075 GLY N 2.252 H A 0074 ILE O
H A 0076 CYS N 2.830 H A 0072 PHE O
H A 0076 CYS N 3.187 H A 0073 ARG O
H A 0076 CYS N 2.253 H A 0075 GLY O
H A 0077 ARG N 3.094 H A 0073 ARG O
H A 0077 ARG N 2.256 H A 0076 CYS O
H A 0078 HIS N 2.746 H A 0074 ILE O
H A 0078 HIS N 2.256 H A 0077 ARG O
C A 0079 SER N 2.258 H A 0078 HIS O
C A 0080 ARG N 2.272 C A 0079 SER O
C A 0081 ILE N 2.265 C A 0080 ARG O
C A 0082 GLY N 2.861 C A 0080 ARG O
C A 0082 GLY N 2.253 C A 0081 ILE O
C A 0083 ILE N 2.259 C A 0082 GLY O
C A 0084 ILE N 3.111 C A 0082 GLY O
C A 0084 ILE N 2.257 C A 0083 ILE O
C A 0085 GLN N 2.260 C A 0084 ILE O
C A 0086 GLN N 2.263 C A 0085 GLN O
C A 0087 ARG N 2.255 C A 0086 GLN O
C A 0088 ARG N 2.252 C A 0087 ARG O
C A 0089 THR N 2.260 C A 0088 ARG O
C A 0090 ARG N 2.256 C A 0089 THR O
C A 0091 ASN N 2.260 C A 0090 ARG O
C A 0092 GLY N 2.256 C A 0091 ASN O
C A 0093 ALA N 2.975 C A 0091 ASN O
C A 0093 ALA N 2.269 C A 0092 GLY O
C A 0094 SER N 2.757 C A 0092 GLY O
C A 0094 SER N 2.254 C A 0093 ALA O
C A 0095 LYS N 2.268 C A 0094 SER O
C A 0096 SER N 2.265 C A 0095 LYS O
HB_MS 2.00 3.20 19
C A 0003 GLN O 2.890 C A 0011 GLN NE2
C A 0009 GLY O 2.991 C A 0008 GLN NE2
C A 0016 ASN N 2.991 H A 0019 THR OG1
H A 0045 HIS O 2.972 H A 0049 THR OG1
H A 0050 TYR O 2.985 H A 0053 THR OG1
H A 0071 HIS O 2.897 C A 0080 ARG NH1
H A 0071 HIS O 2.868 C A 0080 ARG NH2
C A 0081 ILE O 2.869 C A 0088 ARG NH1
C A 0082 GLY O 3.139 C A 0088 ARG NH1
C A 0082 GLY O 2.860 C A 0088 ARG NH2
C A 0087 ARG O 2.889 C A 0085 GLN NE2
C A 0089 THR O 2.956 C A 0085 GLN NE2
C A 0090 ARG N 2.841 C A 0089 THR OG1
C A 0091 ASN N 3.021 C A 0085 GLN OE1
C A 0092 GLY N 2.908 C A 0086 GLN OE1
C A 0092 GLY O 3.166 C A 0087 ARG NH2
C A 0094 SER O 2.935 C A 0087 ARG NH2
C A 0095 LYS O 2.796 C A 0087 ARG NH2
C A 0096 SER O 2.783 C A 0087 ARG NH1
HB_SS 2.00 3.20 4
C A 0008 GLN NE2 3.016 C A 0011 GLN OE1
H A 0062 ARG NH1 2.983 H A 0065 GLN OE1
C A 0087 ARG NH1 2.835 C A 0086 GLN OE1
C A 0091 ASN ND2 2.943 C A 0085 GLN OE1
AROMATIC 0.00 8.00 6
H A 0027 LYS 6.808 H A 0040 HIS
C A 0036 ARG 6.801 H A 0071 HIS
C A 0080 ARG 5.640 H A 0071 HIS
C A 0080 ARG 7.919 H A 0072 PHE
C A 0036 ARG 4.238 H A 0034 PHE
H A 0073 ARG 4.907 H A 0069 PHE