Complet list of 1dgn con file
Complete list of 1dgn.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 331
C A 0002 ALA C 2.435 C A 0003 ASP CA
C A 0002 ALA C 3.699 C A 0003 ASP C
C A 0002 ALA C 3.122 C A 0003 ASP CB
C A 0002 ALA C 3.564 C A 0003 ASP CG
C A 0003 ASP C 2.447 H A 0004 GLN CA
C A 0003 ASP C 3.673 H A 0004 GLN C
C A 0003 ASP C 3.209 H A 0004 GLN CB
C A 0003 ASP C 3.167 H A 0004 GLN CG
C A 0003 ASP C 3.424 H A 0004 GLN CD
H A 0004 GLN CA 3.798 H A 0005 LEU CA
H A 0004 GLN C 2.432 H A 0005 LEU CA
H A 0004 GLN C 2.953 H A 0005 LEU C
H A 0004 GLN C 3.728 H A 0005 LEU CB
H A 0005 LEU C 2.441 H A 0006 LEU CA
H A 0005 LEU C 2.914 H A 0006 LEU C
H A 0005 LEU C 3.723 H A 0006 LEU CB
H A 0005 LEU CD2 3.160 H A 0009 LYS CG
H A 0005 LEU CD1 3.178 H A 0073 ILE CD1
H A 0005 LEU CD1 3.778 C A 0089 LEU CD2
H A 0006 LEU C 2.446 H A 0007 ARG CA
H A 0006 LEU C 2.870 H A 0007 ARG C
H A 0006 LEU C 3.701 H A 0007 ARG CB
H A 0006 LEU CD1 3.696 H A 0072 PHE CE2
H A 0007 ARG C 2.431 H A 0008 LYS CA
H A 0007 ARG C 2.966 H A 0008 LYS C
H A 0007 ARG C 3.715 H A 0008 LYS CB
H A 0007 ARG C 3.775 H A 0010 ARG CB
H A 0008 LYS C 2.456 H A 0009 LYS CA
H A 0008 LYS C 3.261 H A 0009 LYS C
H A 0008 LYS C 3.668 H A 0009 LYS CB
H A 0009 LYS C 2.433 H A 0010 ARG CA
H A 0009 LYS C 3.132 H A 0010 ARG C
H A 0009 LYS C 3.691 H A 0010 ARG CB
H A 0009 LYS CD 3.714 H A 0012 ILE CD1
H A 0009 LYS CB 3.344 H A 0087 MET CE
H A 0010 ARG C 2.439 H A 0011 ARG CA
H A 0010 ARG C 3.155 H A 0011 ARG C
H A 0010 ARG C 3.692 H A 0011 ARG CB
H A 0010 ARG C 3.755 H A 0014 ILE CG2
H A 0011 ARG C 2.436 H A 0012 ILE CA
H A 0011 ARG C 3.136 H A 0012 ILE C
H A 0011 ARG C 3.723 H A 0012 ILE CB
H A 0011 ARG CA 3.592 H A 0014 ILE CG2
H A 0011 ARG C 3.585 H A 0014 ILE CG2
H A 0012 ILE C 2.433 H A 0013 PHE CA
H A 0012 ILE C 2.920 H A 0013 PHE C
H A 0012 ILE C 3.708 H A 0013 PHE CB
H A 0013 PHE C 2.433 H A 0014 ILE CA
H A 0013 PHE C 3.035 H A 0014 ILE C
H A 0013 PHE C 3.743 H A 0014 ILE CB
H A 0013 PHE CE1 3.547 C A 0017 VAL CG2
H A 0013 PHE CZ 3.703 C A 0017 VAL CG2
H A 0013 PHE CD2 3.574 H A 0058 ILE CD1
H A 0013 PHE CE1 3.569 H A 0072 PHE CZ
H A 0014 ILE C 2.458 H A 0015 HIS CA
H A 0014 ILE C 3.277 H A 0015 HIS C
H A 0014 ILE C 3.669 H A 0015 HIS CB
H A 0014 ILE CG2 3.522 H A 0015 HIS CG
H A 0014 ILE CG2 3.480 H A 0015 HIS CE1
H A 0014 ILE CG1 3.780 H A 0054 ALA CB
H A 0015 HIS C 2.430 C A 0016 SER CA
H A 0015 HIS C 3.716 C A 0016 SER C
H A 0015 HIS C 3.033 C A 0016 SER CB
C A 0016 SER C 2.437 C A 0017 VAL CA
C A 0016 SER C 2.878 C A 0017 VAL C
C A 0016 SER C 3.727 C A 0017 VAL CB
C A 0016 SER CB 3.763 H A 0083 LEU CD1
C A 0017 VAL CA 3.799 H A 0018 GLY CA
C A 0017 VAL C 2.425 H A 0018 GLY CA
C A 0017 VAL C 3.178 H A 0018 GLY C
C A 0017 VAL CG1 3.776 H A 0022 ILE CD1
C A 0017 VAL CG2 3.660 H A 0022 ILE CG1
C A 0017 VAL CA 3.758 H A 0083 LEU CD2
H A 0018 GLY CA 3.796 H A 0019 ALA CA
H A 0018 GLY C 2.434 H A 0019 ALA CA
H A 0018 GLY C 2.903 H A 0019 ALA C
H A 0018 GLY C 3.700 H A 0019 ALA CB
H A 0019 ALA CA 3.794 H A 0020 GLY CA
H A 0019 ALA C 2.419 H A 0020 GLY CA
H A 0019 ALA C 3.130 H A 0020 GLY C
H A 0019 ALA CA 3.785 H A 0050 VAL CG2
H A 0019 ALA CB 3.572 H A 0050 VAL CG2
H A 0020 GLY CA 3.799 H A 0021 THR CA
H A 0020 GLY C 2.436 H A 0021 THR CA
H A 0020 GLY C 2.892 H A 0021 THR C
H A 0020 GLY C 3.730 H A 0021 THR CB
H A 0021 THR C 2.432 H A 0022 ILE CA
H A 0021 THR C 2.958 H A 0022 ILE C
H A 0021 THR C 3.737 H A 0022 ILE CB
H A 0021 THR CG2 3.675 H A 0076 LEU CD1
H A 0022 ILE C 2.429 H A 0023 ASN CA
H A 0022 ILE C 2.987 H A 0023 ASN C
H A 0022 ILE C 3.710 H A 0023 ASN CB
H A 0022 ILE CD1 3.606 H A 0050 VAL CG1
H A 0023 ASN C 2.436 H A 0024 ALA CA
H A 0023 ASN C 3.147 H A 0024 ALA C
H A 0023 ASN C 3.681 H A 0024 ALA CB
H A 0024 ALA C 2.435 H A 0025 LEU CA
H A 0024 ALA C 3.142 H A 0025 LEU C
H A 0024 ALA C 3.690 H A 0025 LEU CB
H A 0024 ALA CB 3.334 H A 0079 GLU CD
H A 0025 LEU C 2.429 H A 0026 LEU CA
H A 0025 LEU C 2.964 H A 0026 LEU C
H A 0025 LEU C 3.722 H A 0026 LEU CB
H A 0025 LEU CD1 3.729 H A 0029 LEU CG
H A 0026 LEU CA 3.796 H A 0027 ASP CA
H A 0026 LEU C 2.430 H A 0027 ASP CA
H A 0026 LEU C 3.017 H A 0027 ASP C
H A 0026 LEU C 3.710 H A 0027 ASP CB
H A 0027 ASP C 2.434 H A 0028 CYS CA
H A 0027 ASP C 3.027 H A 0028 CYS C
H A 0027 ASP C 3.714 H A 0028 CYS CB
H A 0028 CYS C 2.434 H A 0029 LEU CA
H A 0028 CYS C 2.924 H A 0029 LEU C
H A 0028 CYS C 3.718 H A 0029 LEU CB
H A 0028 CYS CB 3.723 H A 0075 HIS CD2
H A 0029 LEU C 2.431 H A 0030 LEU CA
H A 0029 LEU C 2.950 H A 0030 LEU C
H A 0029 LEU C 3.717 H A 0030 LEU CB
H A 0029 LEU CD1 3.639 H A 0061 VAL CG2
H A 0030 LEU C 2.433 H A 0031 GLU CA
H A 0030 LEU C 2.908 H A 0031 GLU C
H A 0030 LEU C 3.710 H A 0031 GLU CB
H A 0030 LEU CD2 3.541 C A 0035 ILE CD1
H A 0031 GLU C 2.437 H A 0032 ASP CA
H A 0031 GLU C 3.135 H A 0032 ASP C
H A 0031 GLU C 3.695 H A 0032 ASP CB
H A 0032 ASP C 2.441 H A 0033 GLU CA
H A 0032 ASP C 3.072 H A 0033 GLU C
H A 0032 ASP C 2.962 H A 0033 GLU CB
H A 0032 ASP C 3.187 H A 0033 GLU CG
H A 0033 GLU C 2.430 C A 0034 VAL CA
H A 0033 GLU C 3.078 C A 0034 VAL C
H A 0033 GLU C 3.732 C A 0034 VAL CB
C A 0034 VAL C 2.456 C A 0035 ILE CA
C A 0034 VAL C 3.255 C A 0035 ILE C
C A 0034 VAL C 3.706 C A 0035 ILE CB
C A 0034 VAL CG2 3.775 H A 0068 SER CB
C A 0035 ILE C 2.471 H A 0036 SER CA
C A 0035 ILE C 3.634 H A 0036 SER C
C A 0035 ILE C 3.368 H A 0036 SER CB
H A 0036 SER CA 3.799 H A 0037 GLN CA
H A 0036 SER C 2.431 H A 0037 GLN CA
H A 0036 SER C 2.879 H A 0037 GLN C
H A 0036 SER C 3.704 H A 0037 GLN CB
H A 0037 GLN C 2.434 H A 0038 GLU CA
H A 0037 GLN C 3.074 H A 0038 GLU C
H A 0037 GLN C 3.706 H A 0038 GLU CB
H A 0038 GLU C 2.433 H A 0039 ASP CA
H A 0038 GLU C 3.052 H A 0039 ASP C
H A 0038 GLU C 3.707 H A 0039 ASP CB
H A 0039 ASP C 2.430 H A 0040 MET CA
H A 0039 ASP C 2.879 H A 0040 MET C
H A 0039 ASP C 3.705 H A 0040 MET CB
H A 0039 ASP CG 3.600 H A 0060 LEU CD2
H A 0039 ASP CG 3.677 H A 0064 LYS CE
H A 0040 MET CA 3.795 H A 0041 ASN CA
H A 0040 MET C 2.434 H A 0041 ASN CA
H A 0040 MET C 3.105 H A 0041 ASN C
H A 0040 MET C 3.698 H A 0041 ASN CB
H A 0041 ASN C 2.433 H A 0042 LYS CA
H A 0041 ASN C 2.935 H A 0042 LYS C
H A 0041 ASN C 3.716 H A 0042 LYS CB
H A 0042 LYS C 2.436 H A 0043 VAL CA
H A 0042 LYS C 3.096 H A 0043 VAL C
H A 0042 LYS C 3.729 H A 0043 VAL CB
H A 0042 LYS CE 3.530 H A 0056 VAL CG1
H A 0043 VAL C 2.429 H A 0044 ARG CA
H A 0043 VAL C 2.928 H A 0044 ARG C
H A 0043 VAL C 3.713 H A 0044 ARG CB
H A 0043 VAL CG2 3.156 H A 0060 LEU CD1
H A 0044 ARG CA 3.799 H A 0045 ASP CA
H A 0044 ARG C 2.433 H A 0045 ASP CA
H A 0044 ARG C 2.922 H A 0045 ASP C
H A 0044 ARG C 3.709 H A 0045 ASP CB
H A 0045 ASP C 2.436 C A 0046 GLU CA
H A 0045 ASP C 2.932 C A 0046 GLU C
H A 0045 ASP C 3.079 C A 0046 GLU CB
C A 0046 GLU C 2.435 C A 0047 ASN CA
C A 0046 GLU C 3.135 C A 0047 ASN C
C A 0046 GLU C 3.693 C A 0047 ASN CB
C A 0047 ASN C 2.436 C A 0048 ASP CA
C A 0047 ASN C 3.693 C A 0048 ASP C
C A 0047 ASN C 3.136 C A 0048 ASP CB
C A 0047 ASN CB 3.756 H A 0052 ASP CB
C A 0048 ASP CA 3.800 H A 0049 THR CA
C A 0048 ASP C 2.435 H A 0049 THR CA
C A 0048 ASP C 2.882 H A 0049 THR C
C A 0048 ASP C 3.717 H A 0049 THR CB
H A 0049 THR C 2.437 H A 0050 VAL CA
H A 0049 THR C 2.899 H A 0050 VAL C
H A 0049 THR C 3.736 H A 0050 VAL CB
H A 0050 VAL C 2.429 H A 0051 MET CA
H A 0050 VAL C 2.886 H A 0051 MET C
H A 0050 VAL C 3.700 H A 0051 MET CB
H A 0051 MET C 2.451 H A 0052 ASP CA
H A 0051 MET C 3.238 H A 0052 ASP C
H A 0051 MET C 3.679 H A 0052 ASP CB
H A 0052 ASP C 2.437 H A 0053 LYS CA
H A 0052 ASP C 3.017 H A 0053 LYS C
H A 0052 ASP C 3.715 H A 0053 LYS CB
H A 0053 LYS C 2.440 H A 0054 ALA CA
H A 0053 LYS C 3.192 H A 0054 ALA C
H A 0053 LYS C 3.673 H A 0054 ALA CB
H A 0053 LYS C 3.566 H A 0056 VAL CG2
H A 0054 ALA C 2.437 H A 0055 ARG CA
H A 0054 ALA C 2.898 H A 0055 ARG C
H A 0054 ALA C 3.703 H A 0055 ARG CB
H A 0055 ARG C 2.432 H A 0056 VAL CA
H A 0055 ARG C 3.137 H A 0056 VAL C
H A 0055 ARG C 3.717 H A 0056 VAL CB
H A 0055 ARG CA 3.715 H A 0058 ILE CG2
H A 0055 ARG C 3.650 H A 0058 ILE CG2
H A 0056 VAL C 2.433 H A 0057 LEU CA
H A 0056 VAL C 3.025 H A 0057 LEU C
H A 0056 VAL C 3.714 H A 0057 LEU CB
H A 0056 VAL C 3.624 H A 0060 LEU CD1
H A 0057 LEU C 2.432 H A 0058 ILE CA
H A 0057 LEU C 3.026 H A 0058 ILE C
H A 0057 LEU C 3.736 H A 0058 ILE CB
H A 0058 ILE C 2.434 H A 0059 ASP CA
H A 0058 ILE C 3.098 H A 0059 ASP C
H A 0058 ILE C 3.703 H A 0059 ASP CB
H A 0059 ASP C 2.441 H A 0060 LEU CA
H A 0059 ASP C 2.877 H A 0060 LEU C
H A 0059 ASP C 3.700 H A 0060 LEU CB
H A 0060 LEU C 2.435 H A 0061 VAL CA
H A 0060 LEU C 2.999 H A 0061 VAL C
H A 0060 LEU C 3.742 H A 0061 VAL CB
H A 0061 VAL C 2.433 H A 0062 THR CA
H A 0061 VAL C 2.881 H A 0062 THR C
H A 0061 VAL C 3.724 H A 0062 THR CB
H A 0061 VAL CG1 3.765 H A 0068 SER CB
H A 0062 THR CA 3.791 H A 0063 GLY CA
H A 0062 THR C 2.418 H A 0063 GLY CA
H A 0062 THR C 2.958 H A 0063 GLY C
H A 0063 GLY CA 3.797 H A 0064 LYS CA
H A 0063 GLY C 2.435 H A 0064 LYS CA
H A 0063 GLY C 3.132 H A 0064 LYS C
H A 0063 GLY C 3.692 H A 0064 LYS CB
H A 0064 LYS CA 3.793 H A 0065 GLY CA
H A 0064 LYS C 2.420 H A 0065 GLY CA
H A 0064 LYS C 3.155 H A 0065 GLY C
H A 0065 GLY CA 2.899 H A 0066 PRO CD
H A 0065 GLY C 2.467 H A 0066 PRO CA
H A 0065 GLY C 3.169 H A 0066 PRO C
H A 0065 GLY C 3.635 H A 0066 PRO CB
H A 0065 GLY C 3.643 H A 0066 PRO CG
H A 0065 GLY C 2.502 H A 0066 PRO CD
H A 0066 PRO C 2.430 H A 0067 LYS CA
H A 0066 PRO C 2.995 H A 0067 LYS C
H A 0066 PRO C 3.717 H A 0067 LYS CB
H A 0067 LYS C 2.441 H A 0068 SER CA
H A 0067 LYS C 3.172 H A 0068 SER C
H A 0067 LYS C 3.689 H A 0068 SER CB
H A 0068 SER C 2.438 H A 0069 CYS CA
H A 0068 SER C 2.877 H A 0069 CYS C
H A 0068 SER C 3.705 H A 0069 CYS CB
H A 0069 CYS C 2.434 H A 0070 CYS CA
H A 0069 CYS C 2.983 H A 0070 CYS C
H A 0069 CYS C 3.714 H A 0070 CYS CB
H A 0070 CYS C 2.435 H A 0071 LYS CA
H A 0070 CYS C 2.976 H A 0071 LYS C
H A 0070 CYS C 3.715 H A 0071 LYS CB
H A 0071 LYS C 2.434 H A 0072 PHE CA
H A 0071 LYS C 3.013 H A 0072 PHE C
H A 0071 LYS C 3.710 H A 0072 PHE CB
H A 0071 LYS C 3.779 H A 0075 HIS CD2
H A 0072 PHE C 2.434 H A 0073 ILE CA
H A 0072 PHE C 2.963 H A 0073 ILE C
H A 0072 PHE C 3.735 H A 0073 ILE CB
H A 0073 ILE C 2.434 H A 0074 LYS CA
H A 0073 ILE C 3.078 H A 0074 LYS C
H A 0073 ILE C 3.707 H A 0074 LYS CB
H A 0074 LYS C 2.432 H A 0075 HIS CA
H A 0074 LYS C 2.959 H A 0075 HIS C
H A 0074 LYS C 3.711 H A 0075 HIS CB
H A 0075 HIS C 2.434 H A 0076 LEU CA
H A 0075 HIS C 3.033 H A 0076 LEU C
H A 0075 HIS C 3.712 H A 0076 LEU CB
H A 0075 HIS CA 3.758 H A 0078 GLU CG
H A 0075 HIS C 3.593 H A 0078 GLU CG
H A 0076 LEU C 2.435 H A 0077 CYS CA
H A 0076 LEU C 2.988 H A 0077 CYS C
H A 0076 LEU C 3.716 H A 0077 CYS CB
H A 0077 CYS C 2.437 H A 0078 GLU CA
H A 0077 CYS C 3.155 H A 0078 GLU C
H A 0077 CYS C 3.694 H A 0078 GLU CB
H A 0077 CYS CA 3.691 H A 0084 ALA CB
H A 0078 GLU C 2.446 H A 0079 GLU CA
H A 0078 GLU C 3.202 H A 0079 GLU C
H A 0078 GLU C 3.686 H A 0079 GLU CB
H A 0079 GLU C 2.458 H A 0080 ASP CA
H A 0079 GLU C 3.691 H A 0080 ASP C
H A 0079 GLU C 3.250 H A 0080 ASP CB
H A 0080 ASP CA 3.040 C A 0081 PRO CD
H A 0080 ASP C 2.465 C A 0081 PRO CA
H A 0080 ASP C 3.226 C A 0081 PRO C
H A 0080 ASP C 3.621 C A 0081 PRO CB
H A 0080 ASP C 3.700 C A 0081 PRO CG
H A 0080 ASP C 2.553 C A 0081 PRO CD
C A 0081 PRO C 2.435 H A 0082 GLN CA
C A 0081 PRO C 3.105 H A 0082 GLN C
C A 0081 PRO C 3.701 H A 0082 GLN CB
H A 0082 GLN C 2.432 H A 0083 LEU CA
H A 0082 GLN C 2.989 H A 0083 LEU C
H A 0082 GLN C 3.715 H A 0083 LEU CB
H A 0083 LEU CA 3.798 H A 0084 ALA CA
H A 0083 LEU C 2.431 H A 0084 ALA CA
H A 0083 LEU C 2.960 H A 0084 ALA C
H A 0083 LEU C 3.703 H A 0084 ALA CB
H A 0084 ALA CA 3.800 H A 0085 SER CA
H A 0084 ALA C 2.432 H A 0085 SER CA
H A 0084 ALA C 3.032 H A 0085 SER C
H A 0084 ALA C 3.709 H A 0085 SER CB
H A 0085 SER C 2.442 H A 0086 LYS CA
H A 0085 SER C 3.163 H A 0086 LYS C
H A 0085 SER C 3.690 H A 0086 LYS CB
H A 0086 LYS C 2.474 H A 0087 MET CA
H A 0086 LYS C 3.613 H A 0087 MET C
H A 0086 LYS C 3.395 H A 0087 MET CB
H A 0086 LYS C 3.320 H A 0087 MET CG
H A 0087 MET C 2.447 H A 0088 GLY CA
H A 0087 MET C 3.302 H A 0088 GLY C
H A 0087 MET C 3.542 C A 0089 LEU CD2
H A 0088 GLY C 2.461 C A 0089 LEU CA
H A 0088 GLY C 2.870 C A 0089 LEU C
H A 0088 GLY C 3.710 C A 0089 LEU CB
C A 0089 LEU C 2.433 C A 0090 HIS CA
C A 0089 LEU C 3.711 C A 0090 HIS C
C A 0089 LEU C 3.043 C A 0090 HIS CB
CHARGE_ATTR 2.00 12.00 93
C A 0003 ASP OD1 10.17 H A 0008 LYS NZ
H A 0027 ASP OD1 10.54 H A 0044 ARG NH1
H A 0027 ASP OD1 11.64 H A 0044 ARG NH2
H A 0027 ASP OD2 10.85 H A 0044 ARG NH1
H A 0027 ASP OD1 10.71 H A 0075 HIS ND1
H A 0027 ASP OD1 9.871 H A 0075 HIS NE2
H A 0027 ASP OD2 10.73 H A 0075 HIS ND1
H A 0027 ASP OD2 10.33 H A 0075 HIS NE2
H A 0031 GLU OE1 9.438 H A 0071 LYS NZ
H A 0031 GLU OE2 11.17 H A 0071 LYS NZ
H A 0031 GLU OE1 11.89 H A 0074 LYS NZ
H A 0031 GLU OE1 7.498 H A 0075 HIS ND1
H A 0031 GLU OE1 6.211 H A 0075 HIS NE2
H A 0031 GLU OE2 9.632 H A 0075 HIS ND1
H A 0031 GLU OE2 8.254 H A 0075 HIS NE2
H A 0032 ASP OD1 11.17 H A 0067 LYS NZ
H A 0032 ASP OD2 9.642 H A 0067 LYS NZ
H A 0032 ASP OD1 8.019 H A 0071 LYS NZ
H A 0032 ASP OD2 6.337 H A 0071 LYS NZ
H A 0032 ASP OD1 10.46 H A 0074 LYS NZ
H A 0032 ASP OD2 8.751 H A 0074 LYS NZ
H A 0032 ASP OD1 5.694 H A 0075 HIS ND1
H A 0032 ASP OD1 3.763 H A 0075 HIS NE2
H A 0032 ASP OD2 4.956 H A 0075 HIS ND1
H A 0032 ASP OD2 2.836 H A 0075 HIS NE2
H A 0033 GLU OE2 11.91 H A 0075 HIS NE2
H A 0038 GLU OE1 7.099 H A 0064 LYS NZ
H A 0038 GLU OE2 9.102 H A 0064 LYS NZ
H A 0039 ASP OD1 8.306 H A 0042 LYS NZ
H A 0039 ASP OD2 7.834 H A 0042 LYS NZ
H A 0039 ASP OD1 3.359 H A 0064 LYS NZ
H A 0039 ASP OD2 2.594 H A 0064 LYS NZ
H A 0045 ASP OD1 8.628 H A 0042 LYS NZ
H A 0045 ASP OD2 8.639 H A 0042 LYS NZ
H A 0045 ASP OD1 10.74 H A 0044 ARG NH1
H A 0045 ASP OD1 11.41 H A 0044 ARG NH2
H A 0045 ASP OD2 11.28 H A 0044 ARG NH1
H A 0045 ASP OD2 11.71 H A 0044 ARG NH2
H A 0045 ASP OD1 11.10 H A 0053 LYS NZ
H A 0045 ASP OD1 11.08 H A 0055 ARG NH1
H A 0045 ASP OD1 9.814 H A 0055 ARG NH2
H A 0045 ASP OD2 10.84 H A 0055 ARG NH2
C A 0046 GLU OE1 5.820 H A 0044 ARG NH1
C A 0046 GLU OE1 6.764 H A 0044 ARG NH2
C A 0046 GLU OE2 3.765 H A 0044 ARG NH1
C A 0046 GLU OE2 4.980 H A 0044 ARG NH2
C A 0046 GLU OE1 7.483 H A 0053 LYS NZ
C A 0046 GLU OE2 7.534 H A 0053 LYS NZ
C A 0048 ASP OD1 9.346 H A 0053 LYS NZ
C A 0048 ASP OD2 11.08 H A 0053 LYS NZ
C A 0048 ASP OD1 10.06 H A 0055 ARG NH1
C A 0048 ASP OD1 10.94 H A 0055 ARG NH2
C A 0048 ASP OD2 9.821 H A 0055 ARG NH1
C A 0048 ASP OD2 10.48 H A 0055 ARG NH2
H A 0052 ASP OD1 11.38 H A 0015 HIS ND1
H A 0052 ASP OD1 9.639 H A 0015 HIS NE2
H A 0052 ASP OD2 11.82 H A 0015 HIS ND1
H A 0052 ASP OD2 9.983 H A 0015 HIS NE2
H A 0052 ASP OD1 11.21 H A 0042 LYS NZ
H A 0052 ASP OD2 10.10 H A 0042 LYS NZ
H A 0052 ASP OD1 8.339 H A 0053 LYS NZ
H A 0052 ASP OD2 9.840 H A 0053 LYS NZ
H A 0052 ASP OD1 5.595 H A 0055 ARG NH1
H A 0052 ASP OD1 6.976 H A 0055 ARG NH2
H A 0052 ASP OD2 4.283 H A 0055 ARG NH1
H A 0052 ASP OD2 5.341 H A 0055 ARG NH2
H A 0059 ASP OD2 11.10 H A 0007 ARG NH1
H A 0059 ASP OD2 11.38 H A 0007 ARG NH2
H A 0059 ASP OD1 8.316 H A 0010 ARG NH1
H A 0059 ASP OD1 10.05 H A 0010 ARG NH2
H A 0059 ASP OD2 6.633 H A 0010 ARG NH1
H A 0059 ASP OD2 8.591 H A 0010 ARG NH2
H A 0059 ASP OD1 7.060 H A 0042 LYS NZ
H A 0059 ASP OD2 6.637 H A 0042 LYS NZ
H A 0059 ASP OD1 10.21 H A 0055 ARG NH1
H A 0059 ASP OD1 9.451 H A 0055 ARG NH2
H A 0059 ASP OD2 8.548 H A 0055 ARG NH1
H A 0059 ASP OD2 7.818 H A 0055 ARG NH2
H A 0059 ASP OD1 8.163 H A 0064 LYS NZ
H A 0059 ASP OD2 10.08 H A 0064 LYS NZ
H A 0078 GLU OE2 10.40 H A 0071 LYS NZ
H A 0078 GLU OE1 11.33 H A 0074 LYS NZ
H A 0078 GLU OE2 9.453 H A 0074 LYS NZ
H A 0078 GLU OE1 5.813 H A 0075 HIS ND1
H A 0078 GLU OE1 7.644 H A 0075 HIS NE2
H A 0078 GLU OE2 3.710 H A 0075 HIS ND1
H A 0078 GLU OE2 5.699 H A 0075 HIS NE2
H A 0079 GLU OE1 9.189 H A 0075 HIS ND1
H A 0079 GLU OE1 10.31 H A 0075 HIS NE2
H A 0079 GLU OE2 7.535 H A 0075 HIS ND1
H A 0079 GLU OE2 8.547 H A 0075 HIS NE2
H A 0080 ASP OD1 10.65 H A 0086 LYS NZ
H A 0080 ASP OD2 10.33 H A 0086 LYS NZ
CHARGE_REPU 2.00 12.00 131
H A 0007 ARG NH1 5.561 H A 0008 LYS NZ
H A 0007 ARG NH2 5.690 H A 0008 LYS NZ
H A 0007 ARG NH1 11.32 H A 0009 LYS NZ
H A 0007 ARG NH1 5.419 H A 0010 ARG NH1
H A 0007 ARG NH1 3.191 H A 0010 ARG NH2
H A 0007 ARG NH2 6.097 H A 0010 ARG NH1
H A 0007 ARG NH2 4.074 H A 0010 ARG NH2
H A 0007 ARG NH1 6.608 H A 0011 ARG NH1
H A 0007 ARG NH1 4.728 H A 0011 ARG NH2
H A 0007 ARG NH2 8.051 H A 0011 ARG NH1
H A 0007 ARG NH2 5.874 H A 0011 ARG NH2
H A 0007 ARG NH1 10.73 H A 0015 HIS ND1
H A 0007 ARG NH1 11.57 H A 0015 HIS NE2
H A 0008 LYS NZ 10.11 H A 0009 LYS NZ
H A 0008 LYS NZ 10.42 H A 0010 ARG NH1
H A 0008 LYS NZ 8.482 H A 0010 ARG NH2
H A 0008 LYS NZ 10.04 H A 0011 ARG NH1
H A 0008 LYS NZ 8.658 H A 0011 ARG NH2
H A 0009 LYS NZ 11.13 H A 0011 ARG NH1
H A 0009 LYS NZ 11.79 H A 0011 ARG NH2
H A 0009 LYS NZ 8.918 H A 0086 LYS NZ
H A 0010 ARG NH1 9.364 H A 0011 ARG NH1
H A 0010 ARG NH1 7.865 H A 0011 ARG NH2
H A 0010 ARG NH2 7.648 H A 0011 ARG NH1
H A 0010 ARG NH2 5.924 H A 0011 ARG NH2
H A 0010 ARG NH1 9.706 H A 0015 HIS ND1
H A 0010 ARG NH1 9.708 H A 0015 HIS NE2
H A 0010 ARG NH2 9.679 H A 0015 HIS ND1
H A 0010 ARG NH2 10.02 H A 0015 HIS NE2
H A 0010 ARG NH1 11.84 H A 0042 LYS NZ
H A 0010 ARG NH1 8.852 H A 0055 ARG NH1
H A 0010 ARG NH1 9.460 H A 0055 ARG NH2
H A 0010 ARG NH2 10.88 H A 0055 ARG NH1
H A 0010 ARG NH2 11.66 H A 0055 ARG NH2
H A 0011 ARG NH1 7.927 H A 0015 HIS ND1
H A 0011 ARG NH1 8.861 H A 0015 HIS NE2
H A 0011 ARG NH2 9.017 H A 0015 HIS ND1
H A 0011 ARG NH2 9.754 H A 0015 HIS NE2
H A 0015 HIS ND1 10.49 H A 0055 ARG NH1
H A 0015 HIS NE2 9.105 H A 0055 ARG NH1
H A 0015 HIS NE2 11.32 H A 0055 ARG NH2
H A 0027 ASP OD1 8.674 H A 0031 GLU OE1
H A 0027 ASP OD1 8.659 H A 0031 GLU OE2
H A 0027 ASP OD2 9.634 H A 0031 GLU OE1
H A 0027 ASP OD2 9.862 H A 0031 GLU OE2
H A 0027 ASP OD1 8.461 H A 0032 ASP OD1
H A 0027 ASP OD1 10.13 H A 0032 ASP OD2
H A 0027 ASP OD2 9.562 H A 0032 ASP OD1
H A 0027 ASP OD2 11.13 H A 0032 ASP OD2
H A 0027 ASP OD1 11.48 H A 0033 GLU OE2
H A 0027 ASP OD1 11.68 H A 0078 GLU OE1
H A 0027 ASP OD1 11.46 H A 0078 GLU OE2
H A 0027 ASP OD2 10.65 H A 0078 GLU OE1
H A 0027 ASP OD2 10.79 H A 0078 GLU OE2
H A 0027 ASP OD1 9.625 H A 0079 GLU OE1
H A 0027 ASP OD1 8.221 H A 0079 GLU OE2
H A 0027 ASP OD2 8.000 H A 0079 GLU OE1
H A 0027 ASP OD2 6.752 H A 0079 GLU OE2
H A 0031 GLU OE1 3.331 H A 0032 ASP OD1
H A 0031 GLU OE1 5.201 H A 0032 ASP OD2
H A 0031 GLU OE2 4.944 H A 0032 ASP OD1
H A 0031 GLU OE2 6.932 H A 0032 ASP OD2
H A 0031 GLU OE1 8.885 H A 0033 GLU OE1
H A 0031 GLU OE1 7.278 H A 0033 GLU OE2
H A 0031 GLU OE2 7.556 H A 0033 GLU OE1
H A 0031 GLU OE2 5.712 H A 0033 GLU OE2
H A 0031 GLU OE1 10.10 H A 0078 GLU OE1
H A 0031 GLU OE1 9.148 H A 0078 GLU OE2
H A 0031 GLU OE2 11.93 H A 0078 GLU OE1
H A 0031 GLU OE2 11.16 H A 0078 GLU OE2
H A 0031 GLU OE1 11.09 H A 0079 GLU OE2
H A 0032 ASP OD1 9.086 H A 0033 GLU OE1
H A 0032 ASP OD1 8.177 H A 0033 GLU OE2
H A 0032 ASP OD2 10.19 H A 0033 GLU OE1
H A 0032 ASP OD2 9.546 H A 0033 GLU OE2
H A 0032 ASP OD1 9.953 H A 0078 GLU OE1
H A 0032 ASP OD1 8.459 H A 0078 GLU OE2
H A 0032 ASP OD2 10.17 H A 0078 GLU OE1
H A 0032 ASP OD2 8.336 H A 0078 GLU OE2
H A 0032 ASP OD1 10.29 H A 0079 GLU OE2
H A 0032 ASP OD2 10.86 H A 0079 GLU OE2
H A 0038 GLU OE1 5.285 H A 0039 ASP OD1
H A 0038 GLU OE1 7.378 H A 0039 ASP OD2
H A 0038 GLU OE2 6.836 H A 0039 ASP OD1
H A 0038 GLU OE2 9.018 H A 0039 ASP OD2
H A 0039 ASP OD1 9.138 H A 0059 ASP OD1
H A 0039 ASP OD1 10.61 H A 0059 ASP OD2
H A 0039 ASP OD2 7.489 H A 0059 ASP OD1
H A 0039 ASP OD2 9.163 H A 0059 ASP OD2
H A 0042 LYS NZ 11.89 H A 0053 LYS NZ
H A 0042 LYS NZ 7.386 H A 0055 ARG NH1
H A 0042 LYS NZ 5.642 H A 0055 ARG NH2
H A 0042 LYS NZ 9.972 H A 0064 LYS NZ
H A 0044 ARG NH1 9.340 H A 0053 LYS NZ
H A 0044 ARG NH2 11.49 H A 0053 LYS NZ
H A 0045 ASP OD1 7.736 C A 0046 GLU OE1
H A 0045 ASP OD1 7.994 C A 0046 GLU OE2
H A 0045 ASP OD2 9.232 C A 0046 GLU OE1
H A 0045 ASP OD2 9.105 C A 0046 GLU OE2
H A 0045 ASP OD1 10.68 C A 0048 ASP OD1
H A 0045 ASP OD1 10.57 C A 0048 ASP OD2
H A 0045 ASP OD1 10.65 H A 0052 ASP OD1
H A 0045 ASP OD1 10.16 H A 0052 ASP OD2
H A 0045 ASP OD2 11.97 H A 0052 ASP OD2
C A 0046 GLU OE1 9.538 C A 0048 ASP OD1
C A 0046 GLU OE1 10.85 C A 0048 ASP OD2
C A 0046 GLU OE2 11.37 C A 0048 ASP OD1
C A 0046 GLU OE1 11.24 H A 0052 ASP OD1
C A 0048 ASP OD1 4.719 H A 0052 ASP OD1
C A 0048 ASP OD1 6.051 H A 0052 ASP OD2
C A 0048 ASP OD2 5.019 H A 0052 ASP OD1
C A 0048 ASP OD2 5.583 H A 0052 ASP OD2
H A 0053 LYS NZ 10.46 H A 0055 ARG NH1
H A 0053 LYS NZ 11.33 H A 0055 ARG NH2
H A 0067 LYS NZ 6.850 H A 0071 LYS NZ
H A 0067 LYS NZ 10.09 H A 0074 LYS NZ
H A 0067 LYS NZ 11.70 H A 0075 HIS NE2
H A 0071 LYS NZ 3.995 H A 0074 LYS NZ
H A 0071 LYS NZ 7.684 H A 0075 HIS ND1
H A 0071 LYS NZ 7.046 H A 0075 HIS NE2
H A 0074 LYS NZ 7.673 H A 0075 HIS ND1
H A 0074 LYS NZ 8.122 H A 0075 HIS NE2
H A 0074 LYS NZ 10.89 C A 0090 HIS ND1
H A 0078 GLU OE1 6.969 H A 0079 GLU OE1
H A 0078 GLU OE1 5.565 H A 0079 GLU OE2
H A 0078 GLU OE2 7.553 H A 0079 GLU OE1
H A 0078 GLU OE2 6.021 H A 0079 GLU OE2
H A 0079 GLU OE1 8.463 H A 0080 ASP OD1
H A 0079 GLU OE1 8.479 H A 0080 ASP OD2
H A 0079 GLU OE2 10.25 H A 0080 ASP OD1
H A 0079 GLU OE2 10.26 H A 0080 ASP OD2
HB_MM 2.00 3.20 164
C A 0003 ASP N 2.249 C A 0002 ALA O
H A 0004 GLN N 2.253 C A 0003 ASP O
H A 0005 LEU N 2.251 H A 0004 GLN O
H A 0006 LEU N 2.254 H A 0005 LEU O
H A 0007 ARG N 2.252 H A 0006 LEU O
H A 0008 LYS N 2.250 H A 0007 ARG O
H A 0009 LYS N 2.825 H A 0005 LEU O
H A 0009 LYS N 2.809 H A 0006 LEU O
H A 0009 LYS N 2.256 H A 0008 LYS O
H A 0010 ARG N 2.425 H A 0006 LEU O
H A 0010 ARG N 2.914 H A 0007 ARG O
H A 0010 ARG N 2.247 H A 0009 LYS O
H A 0011 ARG N 2.253 H A 0010 ARG O
H A 0012 ILE N 2.248 H A 0011 ARG O
H A 0013 PHE N 2.247 H A 0012 ILE O
H A 0014 ILE N 3.091 H A 0012 ILE O
H A 0014 ILE N 2.248 H A 0013 PHE O
H A 0015 HIS N 3.046 H A 0012 ILE O
H A 0015 HIS N 2.253 H A 0014 ILE O
C A 0016 SER N 3.108 H A 0014 ILE O
C A 0016 SER N 2.248 H A 0015 HIS O
C A 0017 VAL N 2.889 H A 0013 PHE O
C A 0017 VAL N 2.249 C A 0016 SER O
H A 0018 GLY N 3.067 C A 0016 SER O
H A 0018 GLY N 2.252 C A 0017 VAL O
H A 0019 ALA N 2.250 H A 0018 GLY O
H A 0020 GLY N 2.646 H A 0018 GLY O
H A 0020 GLY N 2.250 H A 0019 ALA O
H A 0021 THR N 3.034 H A 0018 GLY O
H A 0021 THR N 2.251 H A 0020 GLY O
H A 0022 ILE N 2.873 H A 0020 GLY O
H A 0022 ILE N 2.242 H A 0021 THR O
H A 0023 ASN N 2.824 H A 0020 GLY O
H A 0023 ASN N 2.245 H A 0022 ILE O
H A 0024 ALA N 3.065 H A 0021 THR O
H A 0024 ALA N 2.250 H A 0023 ASN O
H A 0025 LEU N 2.615 H A 0021 THR O
H A 0025 LEU N 3.069 H A 0022 ILE O
H A 0025 LEU N 2.249 H A 0024 ALA O
H A 0026 LEU N 2.900 H A 0022 ILE O
H A 0026 LEU N 2.249 H A 0025 LEU O
H A 0027 ASP N 3.095 H A 0025 LEU O
H A 0027 ASP N 2.249 H A 0026 LEU O
H A 0028 CYS N 2.972 H A 0025 LEU O
H A 0028 CYS N 2.251 H A 0027 ASP O
H A 0029 LEU N 3.155 H A 0025 LEU O
H A 0029 LEU N 2.250 H A 0028 CYS O
H A 0030 LEU N 2.250 H A 0029 LEU O
H A 0031 GLU N 2.896 H A 0028 CYS O
H A 0031 GLU N 2.251 H A 0030 LEU O
H A 0032 ASP N 3.006 H A 0029 LEU O
H A 0032 ASP N 3.091 H A 0030 LEU O
H A 0032 ASP N 2.251 H A 0031 GLU O
H A 0033 GLU N 2.983 H A 0029 LEU O
H A 0033 GLU N 2.625 H A 0030 LEU O
H A 0033 GLU N 2.253 H A 0032 ASP O
C A 0034 VAL N 2.250 H A 0033 GLU O
C A 0035 ILE N 2.254 C A 0034 VAL O
H A 0036 SER N 2.255 C A 0035 ILE O
H A 0037 GLN N 2.251 H A 0036 SER O
H A 0038 GLU N 2.655 H A 0036 SER O
H A 0038 GLU N 2.252 H A 0037 GLN O
H A 0039 ASP N 2.721 H A 0036 SER O
H A 0039 ASP N 2.250 H A 0038 GLU O
H A 0040 MET N 2.793 H A 0036 SER O
H A 0040 MET N 2.250 H A 0039 ASP O
H A 0041 ASN N 2.830 H A 0039 ASP O
H A 0041 ASN N 2.252 H A 0040 MET O
H A 0042 LYS N 2.596 H A 0039 ASP O
H A 0042 LYS N 2.250 H A 0041 ASN O
H A 0043 VAL N 2.250 H A 0042 LYS O
H A 0044 ARG N 2.248 H A 0043 VAL O
H A 0045 ASP N 2.906 H A 0041 ASN O
H A 0045 ASP N 2.961 H A 0043 VAL O
H A 0045 ASP N 2.249 H A 0044 ARG O
C A 0046 GLU N 2.775 H A 0043 VAL O
C A 0046 GLU N 2.822 H A 0044 ARG O
C A 0046 GLU N 2.251 H A 0045 ASP O
C A 0047 ASN N 2.251 C A 0046 GLU O
C A 0048 ASP N 2.251 C A 0047 ASN O
H A 0049 THR N 2.247 C A 0048 ASP O
H A 0050 VAL N 2.251 H A 0049 THR O
H A 0051 MET N 2.979 H A 0049 THR O
H A 0051 MET N 2.245 H A 0050 VAL O
H A 0052 ASP N 2.716 H A 0049 THR O
H A 0052 ASP N 2.795 H A 0050 VAL O
H A 0052 ASP N 2.254 H A 0051 MET O
H A 0053 LYS N 2.973 H A 0050 VAL O
H A 0053 LYS N 2.250 H A 0052 ASP O
H A 0054 ALA N 2.701 H A 0050 VAL O
H A 0054 ALA N 3.085 H A 0052 ASP O
H A 0054 ALA N 2.249 H A 0053 LYS O
H A 0055 ARG N 2.249 H A 0054 ALA O
H A 0056 VAL N 2.906 H A 0054 ALA O
H A 0056 VAL N 2.249 H A 0055 ARG O
H A 0057 LEU N 2.791 H A 0054 ALA O
H A 0057 LEU N 2.249 H A 0056 VAL O
H A 0058 ILE N 2.791 H A 0054 ALA O
H A 0058 ILE N 2.247 H A 0057 LEU O
H A 0059 ASP N 2.251 H A 0058 ILE O
H A 0060 LEU N 2.830 H A 0056 VAL O
H A 0060 LEU N 2.251 H A 0059 ASP O
H A 0061 VAL N 2.844 H A 0059 ASP O
H A 0061 VAL N 2.250 H A 0060 LEU O
H A 0062 THR N 3.016 H A 0059 ASP O
H A 0062 THR N 2.250 H A 0061 VAL O
H A 0063 GLY N 2.939 H A 0059 ASP O
H A 0063 GLY N 2.789 H A 0061 VAL O
H A 0063 GLY N 2.251 H A 0062 THR O
H A 0064 LYS N 2.659 H A 0061 VAL O
H A 0064 LYS N 3.160 H A 0062 THR O
H A 0064 LYS N 2.251 H A 0063 GLY O
H A 0065 GLY N 2.872 H A 0062 THR O
H A 0065 GLY N 2.798 H A 0063 GLY O
H A 0065 GLY N 2.251 H A 0064 LYS O
H A 0066 PRO N 2.248 H A 0065 GLY O
H A 0067 LYS N 2.246 H A 0066 PRO O
H A 0068 SER N 3.163 H A 0066 PRO O
H A 0068 SER N 2.252 H A 0067 LYS O
H A 0069 CYS N 3.176 H A 0066 PRO O
H A 0069 CYS N 2.251 H A 0068 SER O
H A 0070 CYS N 2.744 H A 0068 SER O
H A 0070 CYS N 2.249 H A 0069 CYS O
H A 0071 LYS N 2.960 H A 0068 SER O
H A 0071 LYS N 2.251 H A 0070 CYS O
H A 0072 PHE N 3.001 H A 0068 SER O
H A 0072 PHE N 3.099 H A 0070 CYS O
H A 0072 PHE N 2.249 H A 0071 LYS O
H A 0073 ILE N 2.967 H A 0069 CYS O
H A 0073 ILE N 2.250 H A 0072 PHE O
H A 0074 LYS N 3.126 H A 0070 CYS O
H A 0074 LYS N 3.070 H A 0072 PHE O
H A 0074 LYS N 2.249 H A 0073 ILE O
H A 0075 HIS N 2.824 H A 0071 LYS O
H A 0075 HIS N 2.249 H A 0074 LYS O
H A 0076 LEU N 2.885 H A 0072 PHE O
H A 0076 LEU N 3.173 H A 0074 LYS O
H A 0076 LEU N 2.249 H A 0075 HIS O
H A 0077 CYS N 3.154 H A 0073 ILE O
H A 0077 CYS N 2.973 H A 0074 LYS O
H A 0077 CYS N 2.249 H A 0076 LEU O
H A 0078 GLU N 2.249 H A 0077 CYS O
H A 0079 GLU N 3.055 H A 0075 HIS O
H A 0079 GLU N 3.112 H A 0076 LEU O
H A 0079 GLU N 2.249 H A 0078 GLU O
H A 0080 ASP N 2.716 H A 0076 LEU O
H A 0080 ASP N 2.254 H A 0079 GLU O
C A 0081 PRO N 2.251 H A 0080 ASP O
H A 0082 GLN N 2.250 C A 0081 PRO O
H A 0083 LEU N 2.250 H A 0082 GLN O
H A 0084 ALA N 2.250 H A 0083 LEU O
H A 0085 SER N 2.937 H A 0082 GLN O
H A 0085 SER N 2.615 H A 0083 LEU O
H A 0085 SER N 2.250 H A 0084 ALA O
H A 0086 LYS N 2.976 H A 0083 LEU O
H A 0086 LYS N 2.252 H A 0085 SER O
H A 0087 MET N 3.094 H A 0084 ALA O
H A 0087 MET N 3.183 H A 0085 SER O
H A 0087 MET N 2.260 H A 0086 LYS O
H A 0088 GLY N 2.425 H A 0084 ALA O
H A 0088 GLY N 2.258 H A 0087 MET O
C A 0089 LEU N 2.260 H A 0088 GLY O
C A 0090 HIS N 2.482 H A 0088 GLY O
C A 0090 HIS N 2.248 C A 0089 LEU O
HB_MS 2.00 3.20 9
H A 0011 ARG O 2.730 H A 0015 HIS ND1
H A 0015 HIS O 2.388 C A 0016 SER OG
H A 0037 GLN N 2.778 H A 0036 SER OG
H A 0037 GLN O 2.502 H A 0041 ASN ND2
H A 0038 GLU N 3.198 H A 0036 SER OG
H A 0049 THR N 2.449 C A 0048 ASP OD1
H A 0049 THR N 3.048 H A 0052 ASP OD1
H A 0058 ILE O 3.082 H A 0062 THR OG1
H A 0071 LYS O 3.116 H A 0075 HIS ND1
HB_SS 2.00 3.20 1
H A 0041 ASN ND2 2.716 H A 0037 GLN OE1