Complet list of 1sgg con file
Complete list of 1sgg.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 353
C A 0007 TYR C 2.418 C A 0008 THR CA
C A 0007 TYR C 3.262 C A 0008 THR C
C A 0007 TYR C 3.565 C A 0008 THR CB
C A 0007 TYR C 3.732 C A 0008 THR CG2
C A 0007 TYR CA 3.382 C A 0010 PHE CE1
C A 0007 TYR C 3.443 C A 0010 PHE CD1
C A 0007 TYR C 3.488 C A 0010 PHE CE1
C A 0007 TYR CB 3.329 C A 0010 PHE CE1
C A 0007 TYR CE1 3.796 H A 0068 VAL C
C A 0007 TYR CZ 3.643 H A 0068 VAL C
C A 0007 TYR CE1 3.657 H A 0072 GLN CG
C A 0007 TYR CE1 3.493 H A 0072 GLN CD
C A 0007 TYR CZ 3.640 H A 0072 GLN CG
C A 0007 TYR CZ 3.288 H A 0072 GLN CD
C A 0008 THR C 2.424 C A 0009 SER CA
C A 0008 THR C 3.447 C A 0009 SER C
C A 0008 THR C 3.438 C A 0009 SER CB
C A 0009 SER C 2.427 C A 0010 PHE CA
C A 0009 SER C 3.322 C A 0010 PHE C
C A 0009 SER C 3.548 C A 0010 PHE CB
C A 0009 SER C 3.739 C A 0010 PHE CG
C A 0009 SER C 3.428 C A 0010 PHE CD1
C A 0010 PHE C 2.424 C A 0011 ASN CA
C A 0010 PHE C 3.271 C A 0011 ASN C
C A 0010 PHE C 3.563 C A 0011 ASN CB
C A 0010 PHE CD2 3.382 H A 0015 GLU C
C A 0010 PHE CD2 3.254 H A 0016 TRP CA
C A 0010 PHE CD2 3.753 H A 0016 TRP CB
C A 0010 PHE CE2 3.465 H A 0016 TRP CA
C A 0011 ASN C 2.428 H A 0012 THR CA
C A 0011 ASN C 3.678 H A 0012 THR C
C A 0011 ASN C 3.058 H A 0012 THR CB
C A 0011 ASN C 3.170 H A 0012 THR CG2
H A 0012 THR C 2.424 H A 0013 VAL CA
H A 0012 THR C 2.896 H A 0013 VAL C
H A 0012 THR C 3.642 H A 0013 VAL CB
H A 0012 THR CA 3.762 C A 0037 PHE CE1
H A 0012 THR C 3.420 C A 0037 PHE CE1
H A 0013 VAL C 2.421 H A 0014 ASP CA
H A 0013 VAL C 2.991 H A 0014 ASP C
H A 0013 VAL C 3.639 H A 0014 ASP CB
H A 0013 VAL CG1 3.322 H A 0017 LEU CG
H A 0013 VAL CG1 2.974 H A 0017 LEU CD1
H A 0013 VAL CG2 3.658 C A 0035 THR CA
H A 0013 VAL CG2 2.987 C A 0035 THR C
H A 0013 VAL CG2 3.139 C A 0036 THR CA
H A 0013 VAL CG2 3.379 C A 0036 THR C
H A 0014 ASP C 2.422 H A 0015 GLU CA
H A 0014 ASP C 3.107 H A 0015 GLU C
H A 0014 ASP C 3.622 H A 0015 GLU CB
H A 0015 GLU C 2.424 H A 0016 TRP CA
H A 0015 GLU C 3.113 H A 0016 TRP C
H A 0015 GLU C 3.628 H A 0016 TRP CB
H A 0016 TRP C 2.419 H A 0017 LEU CA
H A 0016 TRP C 2.956 H A 0017 LEU C
H A 0016 TRP C 3.647 H A 0017 LEU CB
H A 0016 TRP CD2 3.639 H A 0017 LEU CD2
H A 0016 TRP CE3 3.646 H A 0017 LEU CG
H A 0016 TRP CE3 3.198 H A 0017 LEU CD2
H A 0016 TRP CZ3 3.256 H A 0017 LEU CD2
H A 0016 TRP CH2 3.738 H A 0017 LEU CD2
H A 0016 TRP CB 3.637 C A 0037 PHE CZ
H A 0016 TRP CZ3 3.341 H A 0040 VAL CG2
H A 0016 TRP CH2 3.182 H A 0040 VAL CG2
H A 0016 TRP CZ2 3.661 H A 0065 SER CB
H A 0016 TRP CG 3.726 H A 0069 MET CE
H A 0016 TRP CD2 3.100 H A 0069 MET CE
H A 0016 TRP CE2 3.036 H A 0069 MET CE
H A 0016 TRP CE3 3.389 H A 0069 MET CE
H A 0016 TRP CZ2 3.289 H A 0069 MET CE
H A 0016 TRP CZ3 3.610 H A 0069 MET CE
H A 0016 TRP CH2 3.568 H A 0069 MET CE
H A 0017 LEU C 2.421 H A 0018 ASP CA
H A 0017 LEU C 3.032 H A 0018 ASP C
H A 0017 LEU C 3.635 H A 0018 ASP CB
H A 0017 LEU CA 3.332 H A 0020 ILE CG1
H A 0017 LEU CA 3.720 H A 0020 ILE CD1
H A 0017 LEU C 3.378 H A 0020 ILE CG1
H A 0017 LEU CD2 3.591 H A 0020 ILE CD1
H A 0017 LEU CB 3.620 C A 0022 MET CB
H A 0017 LEU CD1 3.690 H A 0029 PHE CD2
H A 0017 LEU CD2 3.739 H A 0029 PHE CE2
H A 0018 ASP C 2.424 H A 0019 ALA CA
H A 0018 ASP C 3.052 H A 0019 ALA C
H A 0018 ASP C 3.635 H A 0019 ALA CB
H A 0019 ALA C 2.426 H A 0020 ILE CA
H A 0019 ALA C 3.351 H A 0020 ILE C
H A 0019 ALA C 3.539 H A 0020 ILE CB
H A 0019 ALA C 3.714 H A 0020 ILE CG2
H A 0020 ILE C 2.431 C A 0021 LYS CA
H A 0020 ILE C 2.965 C A 0021 LYS C
H A 0020 ILE C 2.909 C A 0021 LYS CB
H A 0020 ILE CD1 3.689 C A 0022 MET CG
H A 0020 ILE CA 3.378 H A 0061 LYS CE
H A 0020 ILE CB 3.635 H A 0061 LYS CD
H A 0020 ILE CB 3.149 H A 0061 LYS CE
H A 0020 ILE CG2 3.216 H A 0061 LYS CE
H A 0020 ILE CD1 3.513 H A 0062 ILE CG1
C A 0021 LYS C 2.427 C A 0022 MET CA
C A 0021 LYS C 3.542 C A 0022 MET C
C A 0021 LYS C 3.342 C A 0022 MET CB
C A 0022 MET C 2.428 H A 0023 SER CA
C A 0022 MET C 2.967 H A 0023 SER C
C A 0022 MET C 3.639 H A 0023 SER CB
C A 0022 MET CA 3.281 H A 0025 TYR CD2
C A 0022 MET C 3.476 H A 0025 TYR CD2
C A 0022 MET CB 3.621 H A 0025 TYR CB
C A 0022 MET CB 3.651 H A 0025 TYR CD2
C A 0022 MET CG 3.574 H A 0025 TYR CB
C A 0022 MET CG 3.476 H A 0025 TYR CG
C A 0022 MET CG 3.387 H A 0025 TYR CD2
C A 0022 MET CE 3.442 H A 0058 HIS CG
C A 0022 MET CE 3.425 H A 0058 HIS CD2
C A 0022 MET CE 3.781 H A 0058 HIS CE1
C A 0022 MET CG 3.633 H A 0062 ILE CD1
C A 0022 MET CE 3.481 H A 0062 ILE CG1
C A 0022 MET CE 3.540 H A 0062 ILE CD1
H A 0023 SER C 2.424 H A 0024 GLN CA
H A 0023 SER C 3.261 H A 0024 GLN C
H A 0023 SER C 3.577 H A 0024 GLN CB
H A 0023 SER CA 3.795 H A 0026 LYS CE
H A 0024 GLN C 2.424 H A 0025 TYR CA
H A 0024 GLN C 3.558 H A 0025 TYR C
H A 0024 GLN C 3.321 H A 0025 TYR CB
H A 0024 GLN C 3.314 H A 0025 TYR CG
H A 0024 GLN C 3.292 H A 0025 TYR CD2
H A 0024 GLN CG 3.394 H A 0025 TYR CD2
H A 0024 GLN CG 3.155 H A 0025 TYR CE2
H A 0024 GLN CD 3.777 H A 0025 TYR CE2
H A 0025 TYR C 2.422 H A 0026 LYS CA
H A 0025 TYR C 3.092 H A 0026 LYS C
H A 0025 TYR C 3.629 H A 0026 LYS CB
H A 0025 TYR C 3.710 H A 0026 LYS CD
H A 0025 TYR CD1 3.437 C A 0053 VAL CG2
H A 0025 TYR CE1 3.750 C A 0053 VAL CA
H A 0025 TYR CE1 3.641 C A 0053 VAL CB
H A 0025 TYR CE1 3.386 C A 0053 VAL CG1
H A 0025 TYR CE1 3.223 C A 0053 VAL CG2
H A 0025 TYR CE2 3.320 H A 0058 HIS CE1
H A 0026 LYS C 2.423 H A 0027 GLU CA
H A 0026 LYS C 2.944 H A 0027 GLU C
H A 0026 LYS C 3.640 H A 0027 GLU CB
H A 0027 GLU C 2.423 H A 0028 SER CA
H A 0027 GLU C 3.020 H A 0028 SER C
H A 0027 GLU C 3.639 H A 0028 SER CB
H A 0028 SER C 2.421 H A 0029 PHE CA
H A 0028 SER C 3.118 H A 0029 PHE C
H A 0028 SER C 3.620 H A 0029 PHE CB
H A 0028 SER CA 3.625 H A 0051 VAL CG1
H A 0028 SER C 2.924 H A 0051 VAL CG1
H A 0028 SER CB 3.366 H A 0051 VAL CG1
H A 0029 PHE C 2.423 H A 0030 ALA CA
H A 0029 PHE C 3.042 H A 0030 ALA C
H A 0029 PHE C 3.635 H A 0030 ALA CB
H A 0029 PHE CB 3.773 C A 0034 PHE CB
H A 0029 PHE CG 3.629 C A 0034 PHE CB
H A 0029 PHE CD2 3.068 C A 0034 PHE CB
H A 0029 PHE CA 3.692 H A 0051 VAL CG1
H A 0029 PHE CD1 3.203 H A 0051 VAL CG1
H A 0029 PHE CE1 3.645 H A 0051 VAL CG1
H A 0029 PHE CZ 3.354 H A 0062 ILE CD1
H A 0030 ALA C 2.423 H A 0031 SER CA
H A 0030 ALA C 3.068 H A 0031 SER C
H A 0030 ALA C 3.633 H A 0031 SER CB
H A 0030 ALA CA 3.312 C A 0035 THR CG2
H A 0030 ALA CB 3.658 C A 0035 THR CG2
H A 0031 SER C 2.424 C A 0032 ALA CA
H A 0031 SER C 3.052 C A 0032 ALA C
H A 0031 SER C 3.635 C A 0032 ALA CB
C A 0032 ALA C 2.423 C A 0033 GLY CA
C A 0032 ALA C 3.437 C A 0033 GLY C
C A 0032 ALA CB 3.457 C A 0034 PHE CD2
C A 0032 ALA CB 3.116 C A 0034 PHE CE2
C A 0032 ALA CB 3.457 C A 0034 PHE CZ
C A 0032 ALA CB 3.305 H A 0051 VAL CG2
C A 0033 GLY C 2.423 C A 0034 PHE CA
C A 0033 GLY C 3.282 C A 0034 PHE C
C A 0033 GLY C 3.567 C A 0034 PHE CB
C A 0033 GLY C 3.699 C A 0034 PHE CG
C A 0033 GLY C 3.427 C A 0034 PHE CD1
C A 0033 GLY C 3.328 H A 0039 ILE CG2
C A 0034 PHE C 2.424 C A 0035 THR CA
C A 0034 PHE C 3.339 C A 0035 THR C
C A 0034 PHE C 3.536 C A 0035 THR CB
C A 0034 PHE CD1 3.675 H A 0039 ILE CG2
C A 0034 PHE CA 3.639 H A 0040 VAL CB
C A 0034 PHE CB 3.422 H A 0040 VAL CB
C A 0034 PHE CB 3.528 H A 0040 VAL CG2
C A 0034 PHE CG 3.730 H A 0040 VAL CB
C A 0034 PHE CG 3.754 H A 0040 VAL CG2
C A 0034 PHE CD1 3.214 H A 0040 VAL CA
C A 0034 PHE CD1 3.601 H A 0040 VAL CB
C A 0034 PHE CD2 3.537 C A 0043 MET CE
C A 0034 PHE CE2 3.124 C A 0043 MET CE
C A 0034 PHE CZ 3.381 C A 0043 MET CE
C A 0034 PHE CZ 3.463 H A 0047 ASP CG
C A 0034 PHE CD2 3.482 H A 0051 VAL CG2
C A 0034 PHE CE2 3.196 H A 0051 VAL CG2
C A 0035 THR C 2.420 C A 0036 THR CA
C A 0035 THR C 3.670 C A 0036 THR C
C A 0035 THR C 3.088 C A 0036 THR CB
C A 0035 THR C 3.176 C A 0036 THR CG2
C A 0036 THR C 2.424 C A 0037 PHE CA
C A 0036 THR C 3.243 C A 0037 PHE C
C A 0036 THR C 3.576 C A 0037 PHE CB
C A 0037 PHE C 2.436 H A 0038 ASP CA
C A 0037 PHE C 3.706 H A 0038 ASP C
C A 0037 PHE C 2.912 H A 0038 ASP CB
C A 0037 PHE C 3.609 H A 0038 ASP CG
C A 0037 PHE CE2 3.721 H A 0069 MET CE
H A 0038 ASP C 2.430 H A 0039 ILE CA
H A 0038 ASP C 2.900 H A 0039 ILE C
H A 0038 ASP C 3.630 H A 0039 ILE CB
H A 0039 ILE C 2.424 H A 0040 VAL CA
H A 0039 ILE C 2.979 H A 0040 VAL C
H A 0039 ILE C 3.640 H A 0040 VAL CB
H A 0040 VAL C 2.424 H A 0041 SER CA
H A 0040 VAL C 3.248 H A 0041 SER C
H A 0040 VAL C 3.584 H A 0041 SER CB
H A 0040 VAL CG2 3.165 H A 0066 ILE CD1
H A 0041 SER C 2.424 H A 0042 GLN CA
H A 0041 SER C 3.674 H A 0042 GLN C
H A 0041 SER C 3.060 H A 0042 GLN CB
H A 0041 SER C 3.320 H A 0042 GLN CG
H A 0041 SER CB 3.088 H A 0069 MET CB
H A 0041 SER CB 3.787 H A 0069 MET CG
H A 0042 GLN C 2.424 C A 0043 MET CA
H A 0042 GLN C 3.640 C A 0043 MET C
H A 0042 GLN C 3.177 C A 0043 MET CB
H A 0042 GLN C 3.741 C A 0043 MET CG
C A 0043 MET C 2.424 C A 0044 THR CA
C A 0043 MET C 3.655 C A 0044 THR C
C A 0043 MET C 3.136 C A 0044 THR CB
C A 0043 MET C 3.785 C A 0044 THR CG2
C A 0043 MET CB 3.526 H A 0047 ASP CB
C A 0043 MET CB 3.570 H A 0047 ASP CG
C A 0043 MET CG 3.799 H A 0066 ILE CG2
C A 0043 MET CE 3.464 H A 0066 ILE CD1
C A 0044 THR C 2.425 H A 0045 VAL CA
C A 0044 THR C 3.082 H A 0045 VAL C
C A 0044 THR C 3.632 H A 0045 VAL CB
C A 0044 THR CG2 3.724 H A 0046 GLU CB
H A 0045 VAL C 2.422 H A 0046 GLU CA
H A 0045 VAL C 3.004 H A 0046 GLU C
H A 0045 VAL C 3.640 H A 0046 GLU CB
H A 0045 VAL CB 3.562 H A 0063 LEU CG
H A 0045 VAL CB 3.357 H A 0063 LEU CD1
H A 0045 VAL CB 3.774 H A 0063 LEU CD2
H A 0045 VAL CG2 3.549 H A 0063 LEU CD1
H A 0046 GLU C 2.424 H A 0047 ASP CA
H A 0046 GLU C 3.140 H A 0047 ASP C
H A 0046 GLU C 3.617 H A 0047 ASP CB
H A 0047 ASP C 2.425 H A 0048 ILE CA
H A 0047 ASP C 2.972 H A 0048 ILE C
H A 0047 ASP C 3.640 H A 0048 ILE CB
H A 0048 ILE C 2.423 H A 0049 LEU CA
H A 0048 ILE C 3.054 H A 0049 LEU C
H A 0048 ILE C 3.635 H A 0049 LEU CB
H A 0048 ILE CG2 3.214 C A 0053 VAL CB
H A 0048 ILE CG2 3.247 C A 0053 VAL CG1
H A 0048 ILE CG2 3.616 C A 0053 VAL CG2
H A 0048 ILE CG2 3.472 H A 0059 GLN CA
H A 0048 ILE CD1 3.630 H A 0063 LEU CA
H A 0048 ILE CD1 3.798 H A 0063 LEU CG
H A 0049 LEU C 2.425 H A 0050 ARG CA
H A 0049 LEU C 3.161 H A 0050 ARG C
H A 0049 LEU C 3.611 H A 0050 ARG CB
H A 0050 ARG C 2.423 H A 0051 VAL CA
H A 0050 ARG C 2.939 H A 0051 VAL C
H A 0050 ARG C 3.638 H A 0051 VAL CB
H A 0051 VAL C 2.423 C A 0052 GLY CA
H A 0051 VAL C 3.411 C A 0052 GLY C
C A 0052 GLY C 2.422 C A 0053 VAL CA
C A 0052 GLY C 3.229 C A 0053 VAL C
C A 0052 GLY C 3.587 C A 0053 VAL CB
C A 0052 GLY C 3.773 C A 0053 VAL CG2
C A 0053 VAL C 2.424 C A 0054 THR CA
C A 0053 VAL C 2.973 C A 0054 THR C
C A 0053 VAL C 3.640 C A 0054 THR CB
C A 0053 VAL CG1 3.314 H A 0059 GLN CA
C A 0053 VAL CG1 3.713 H A 0059 GLN CB
C A 0054 THR C 2.423 C A 0055 LEU CA
C A 0054 THR C 2.925 C A 0055 LEU C
C A 0054 THR C 3.638 C A 0055 LEU CB
C A 0055 LEU C 2.424 C A 0056 ALA CA
C A 0055 LEU C 2.987 C A 0056 ALA C
C A 0055 LEU C 3.641 C A 0056 ALA CB
C A 0056 ALA C 2.422 C A 0057 GLY CA
C A 0056 ALA C 3.051 C A 0057 GLY C
C A 0056 ALA CA 3.693 H A 0059 GLN CD
C A 0057 GLY C 2.424 H A 0058 HIS CA
C A 0057 GLY C 2.916 H A 0058 HIS C
C A 0057 GLY C 3.638 H A 0058 HIS CB
H A 0058 HIS C 2.422 H A 0059 GLN CA
H A 0058 HIS C 3.003 H A 0059 GLN C
H A 0058 HIS C 3.640 H A 0059 GLN CB
H A 0058 HIS C 3.800 H A 0061 LYS CB
H A 0059 GLN C 2.423 H A 0060 LYS CA
H A 0059 GLN C 3.124 H A 0060 LYS C
H A 0059 GLN C 3.622 H A 0060 LYS CB
H A 0060 LYS C 2.424 H A 0061 LYS CA
H A 0060 LYS C 3.002 H A 0061 LYS C
H A 0060 LYS C 3.638 H A 0061 LYS CB
H A 0060 LYS CA 3.753 H A 0063 LEU CB
H A 0060 LYS C 3.580 H A 0063 LEU CB
H A 0060 LYS CG 3.758 H A 0063 LEU CD1
H A 0061 LYS C 2.421 H A 0062 ILE CA
H A 0061 LYS C 3.028 H A 0062 ILE C
H A 0061 LYS C 3.640 H A 0062 ILE CB
H A 0062 ILE C 2.431 H A 0063 LEU CA
H A 0062 ILE C 2.902 H A 0063 LEU C
H A 0062 ILE C 3.635 H A 0063 LEU CB
H A 0062 ILE CA 3.482 H A 0065 SER CB
H A 0062 ILE C 3.620 H A 0065 SER CB
H A 0063 LEU C 2.422 H A 0064 ASN CA
H A 0063 LEU C 3.121 H A 0064 ASN C
H A 0063 LEU C 3.619 H A 0064 ASN CB
H A 0064 ASN C 2.426 H A 0065 SER CA
H A 0064 ASN C 3.033 H A 0065 SER C
H A 0064 ASN C 3.640 H A 0065 SER CB
H A 0065 SER C 2.427 H A 0066 ILE CA
H A 0065 SER C 2.916 H A 0066 ILE C
H A 0065 SER C 3.637 H A 0066 ILE CB
H A 0065 SER CA 3.568 H A 0068 VAL CG1
H A 0065 SER C 3.589 H A 0068 VAL CG1
H A 0065 SER C 3.778 H A 0068 VAL CG2
H A 0066 ILE C 2.424 H A 0067 GLN CA
H A 0066 ILE C 3.151 H A 0067 GLN C
H A 0066 ILE C 3.618 H A 0067 GLN CB
H A 0067 GLN C 2.419 H A 0068 VAL CA
H A 0067 GLN C 2.942 H A 0068 VAL C
H A 0067 GLN C 3.663 H A 0068 VAL CB
H A 0068 VAL C 2.421 H A 0069 MET CA
H A 0068 VAL C 3.222 H A 0069 MET C
H A 0068 VAL C 3.583 H A 0069 MET CB
H A 0068 VAL CG2 3.325 H A 0069 MET CE
H A 0069 MET C 2.422 H A 0070 ARG CA
H A 0069 MET C 2.986 H A 0070 ARG C
H A 0069 MET C 3.639 H A 0070 ARG CB
H A 0069 MET CA 3.350 H A 0073 MET CE
H A 0069 MET C 3.189 H A 0073 MET CE
H A 0069 MET CB 3.626 H A 0073 MET CE
H A 0070 ARG C 2.424 H A 0071 ALA CA
H A 0070 ARG C 2.960 H A 0071 ALA C
H A 0070 ARG C 3.638 H A 0071 ALA CB
H A 0070 ARG CA 3.768 H A 0073 MET CB
H A 0071 ALA C 2.421 H A 0072 GLN CA
H A 0071 ALA C 3.241 H A 0072 GLN C
H A 0071 ALA C 3.577 H A 0072 GLN CB
H A 0072 GLN C 2.423 H A 0073 MET CA
H A 0072 GLN C 3.094 H A 0073 MET C
H A 0072 GLN C 3.632 H A 0073 MET CB
H A 0072 GLN CG 3.721 H A 0073 MET CE
CHARGE_ATTR 2.00 12.00 24
H A 0014 ASP OD1 4.190 H A 0026 LYS NZ
H A 0014 ASP OD2 4.898 H A 0026 LYS NZ
H A 0015 GLU OE1 9.818 H A 0026 LYS NZ
H A 0015 GLU OE2 8.422 H A 0026 LYS NZ
H A 0018 ASP OD1 9.878 C A 0021 LYS NZ
H A 0018 ASP OD2 10.72 C A 0021 LYS NZ
H A 0018 ASP OD1 7.194 H A 0026 LYS NZ
H A 0018 ASP OD2 5.762 H A 0026 LYS NZ
H A 0018 ASP OD1 11.19 H A 0058 HIS NE2
H A 0018 ASP OD2 11.24 H A 0058 HIS NE2
H A 0018 ASP OD1 11.20 H A 0061 LYS NZ
H A 0027 GLU OE1 9.392 H A 0026 LYS NZ
H A 0027 GLU OE2 10.29 H A 0026 LYS NZ
H A 0038 ASP OD1 10.71 H A 0070 ARG NH2
H A 0046 GLU OE1 6.139 H A 0050 ARG NH1
H A 0046 GLU OE1 5.231 H A 0050 ARG NH2
H A 0046 GLU OE2 7.441 H A 0050 ARG NH1
H A 0046 GLU OE2 6.102 H A 0050 ARG NH2
H A 0047 ASP OD1 6.811 H A 0050 ARG NH1
H A 0047 ASP OD1 6.089 H A 0050 ARG NH2
H A 0047 ASP OD2 8.424 H A 0050 ARG NH1
H A 0047 ASP OD2 7.227 H A 0050 ARG NH2
H A 0047 ASP OD2 11.18 H A 0070 ARG NH1
H A 0047 ASP OD2 10.96 H A 0070 ARG NH2
CHARGE_REPU 2.00 12.00 27
H A 0014 ASP OD1 8.722 H A 0015 GLU OE1
H A 0014 ASP OD1 6.996 H A 0015 GLU OE2
H A 0014 ASP OD2 6.839 H A 0015 GLU OE1
H A 0014 ASP OD2 4.961 H A 0015 GLU OE2
H A 0014 ASP OD1 8.575 H A 0018 ASP OD1
H A 0014 ASP OD1 6.996 H A 0018 ASP OD2
H A 0014 ASP OD2 7.062 H A 0018 ASP OD1
H A 0014 ASP OD2 5.535 H A 0018 ASP OD2
H A 0014 ASP OD1 8.984 H A 0027 GLU OE1
H A 0014 ASP OD1 9.166 H A 0027 GLU OE2
H A 0014 ASP OD2 10.96 H A 0027 GLU OE1
H A 0014 ASP OD2 11.21 H A 0027 GLU OE2
H A 0015 GLU OE1 5.661 H A 0018 ASP OD1
H A 0015 GLU OE1 6.266 H A 0018 ASP OD2
H A 0015 GLU OE2 5.280 H A 0018 ASP OD1
H A 0015 GLU OE2 5.115 H A 0018 ASP OD2
C A 0021 LYS NZ 8.982 H A 0058 HIS ND1
C A 0021 LYS NZ 6.837 H A 0058 HIS NE2
C A 0021 LYS NZ 7.540 H A 0061 LYS NZ
H A 0026 LYS NZ 10.06 H A 0058 HIS ND1
H A 0026 LYS NZ 9.839 H A 0058 HIS NE2
H A 0046 GLU OE1 6.655 H A 0047 ASP OD1
H A 0046 GLU OE1 7.277 H A 0047 ASP OD2
H A 0046 GLU OE2 8.076 H A 0047 ASP OD1
H A 0046 GLU OE2 8.247 H A 0047 ASP OD2
H A 0058 HIS ND1 9.121 H A 0061 LYS NZ
H A 0058 HIS NE2 7.510 H A 0061 LYS NZ
HB_MM 2.00 3.20 111
C A 0008 THR N 2.191 C A 0007 TYR O
C A 0009 SER N 2.198 C A 0008 THR O
C A 0010 PHE N 2.198 C A 0009 SER O
C A 0011 ASN N 2.196 C A 0010 PHE O
H A 0012 THR N 2.197 C A 0011 ASN O
H A 0013 VAL N 2.196 H A 0012 THR O
H A 0014 ASP N 2.756 H A 0012 THR O
H A 0014 ASP N 2.195 H A 0013 VAL O
H A 0015 GLU N 2.727 H A 0012 THR O
H A 0015 GLU N 2.197 H A 0014 ASP O
H A 0016 TRP N 3.176 H A 0013 VAL O
H A 0016 TRP N 2.198 H A 0015 GLU O
H A 0017 LEU N 2.769 H A 0013 VAL O
H A 0017 LEU N 2.195 H A 0016 TRP O
H A 0018 ASP N 3.174 H A 0014 ASP O
H A 0018 ASP N 2.984 H A 0016 TRP O
H A 0018 ASP N 2.197 H A 0017 LEU O
H A 0019 ALA N 2.910 H A 0016 TRP O
H A 0019 ALA N 2.198 H A 0018 ASP O
H A 0020 ILE N 3.186 H A 0017 LEU O
H A 0020 ILE N 2.198 H A 0019 ALA O
C A 0021 LYS N 2.197 H A 0020 ILE O
C A 0022 MET N 3.068 H A 0017 LEU O
C A 0022 MET N 2.198 C A 0021 LYS O
H A 0023 SER N 2.199 C A 0022 MET O
H A 0024 GLN N 2.195 H A 0023 SER O
H A 0025 TYR N 3.030 C A 0022 MET O
H A 0025 TYR N 3.160 H A 0023 SER O
H A 0025 TYR N 2.196 H A 0024 GLN O
H A 0026 LYS N 2.197 H A 0025 TYR O
H A 0027 GLU N 2.196 H A 0026 LYS O
H A 0028 SER N 2.832 H A 0026 LYS O
H A 0028 SER N 2.195 H A 0027 GLU O
H A 0029 PHE N 2.953 H A 0026 LYS O
H A 0029 PHE N 2.197 H A 0028 SER O
H A 0030 ALA N 2.196 H A 0029 PHE O
H A 0031 SER N 2.197 H A 0030 ALA O
C A 0032 ALA N 2.197 H A 0031 SER O
C A 0033 GLY N 2.930 H A 0029 PHE O
C A 0033 GLY N 2.197 C A 0032 ALA O
C A 0034 PHE N 2.750 H A 0029 PHE O
C A 0034 PHE N 2.196 C A 0033 GLY O
C A 0035 THR N 2.196 C A 0034 PHE O
C A 0036 THR N 2.193 C A 0035 THR O
C A 0037 PHE N 2.197 C A 0036 THR O
H A 0038 ASP N 3.143 C A 0036 THR O
H A 0038 ASP N 2.200 C A 0037 PHE O
H A 0039 ILE N 2.196 H A 0038 ASP O
H A 0040 VAL N 2.199 H A 0039 ILE O
H A 0041 SER N 2.656 H A 0038 ASP O
H A 0041 SER N 2.872 H A 0039 ILE O
H A 0041 SER N 2.195 H A 0040 VAL O
H A 0042 GLN N 3.144 H A 0039 ILE O
H A 0042 GLN N 3.113 H A 0040 VAL O
H A 0042 GLN N 2.196 H A 0041 SER O
C A 0043 MET N 2.198 H A 0042 GLN O
C A 0044 THR N 2.197 C A 0043 MET O
H A 0045 VAL N 2.197 C A 0044 THR O
H A 0046 GLU N 2.196 H A 0045 VAL O
H A 0047 ASP N 2.195 H A 0046 GLU O
H A 0048 ILE N 2.197 H A 0047 ASP O
H A 0049 LEU N 2.195 H A 0048 ILE O
H A 0050 ARG N 2.911 H A 0047 ASP O
H A 0050 ARG N 3.200 H A 0048 ILE O
H A 0050 ARG N 2.196 H A 0049 LEU O
H A 0051 VAL N 3.122 H A 0047 ASP O
H A 0051 VAL N 2.196 H A 0050 ARG O
C A 0052 GLY N 2.808 H A 0050 ARG O
C A 0052 GLY N 2.195 H A 0051 VAL O
C A 0053 VAL N 3.124 H A 0048 ILE O
C A 0053 VAL N 2.196 C A 0052 GLY O
C A 0054 THR N 3.044 C A 0052 GLY O
C A 0054 THR N 2.196 C A 0053 VAL O
C A 0055 LEU N 2.938 C A 0053 VAL O
C A 0055 LEU N 2.197 C A 0054 THR O
C A 0056 ALA N 3.004 C A 0054 THR O
C A 0056 ALA N 2.198 C A 0055 LEU O
C A 0057 GLY N 2.197 C A 0056 ALA O
H A 0058 HIS N 2.529 C A 0056 ALA O
H A 0058 HIS N 2.197 C A 0057 GLY O
H A 0059 GLN N 3.195 C A 0055 LEU O
H A 0059 GLN N 3.028 C A 0057 GLY O
H A 0059 GLN N 2.198 H A 0058 HIS O
H A 0060 LYS N 2.852 C A 0057 GLY O
H A 0060 LYS N 2.199 H A 0059 GLN O
H A 0061 LYS N 2.757 C A 0057 GLY O
H A 0061 LYS N 3.144 H A 0058 HIS O
H A 0061 LYS N 2.197 H A 0060 LYS O
H A 0062 ILE N 2.196 H A 0061 LYS O
H A 0063 LEU N 3.150 H A 0061 LYS O
H A 0063 LEU N 2.199 H A 0062 ILE O
H A 0064 ASN N 3.159 H A 0062 ILE O
H A 0064 ASN N 2.196 H A 0063 LEU O
H A 0065 SER N 2.815 H A 0062 ILE O
H A 0065 SER N 2.198 H A 0064 ASN O
H A 0066 ILE N 2.881 H A 0062 ILE O
H A 0066 ILE N 2.196 H A 0065 SER O
H A 0067 GLN N 3.168 H A 0064 ASN O
H A 0067 GLN N 2.736 H A 0065 SER O
H A 0067 GLN N 2.198 H A 0066 ILE O
H A 0068 VAL N 2.661 H A 0065 SER O
H A 0068 VAL N 2.194 H A 0067 GLN O
H A 0069 MET N 2.866 H A 0067 GLN O
H A 0069 MET N 2.198 H A 0068 VAL O
H A 0070 ARG N 2.196 H A 0069 MET O
H A 0071 ALA N 2.799 H A 0067 GLN O
H A 0071 ALA N 2.965 H A 0069 MET O
H A 0071 ALA N 2.198 H A 0070 ARG O
H A 0072 GLN N 2.197 H A 0071 ALA O
H A 0073 MET N 3.026 H A 0069 MET O
H A 0073 MET N 2.196 H A 0072 GLN O
HB_MS 2.00 3.20 8
C A 0021 LYS O 2.807 H A 0058 HIS NE2
C A 0022 MET O 3.166 H A 0026 LYS NZ
H A 0038 ASP O 2.416 H A 0041 SER OG
H A 0045 VAL N 2.596 C A 0044 THR OG1
H A 0051 VAL O 3.050 H A 0028 SER OG
C A 0054 THR O 3.143 H A 0059 GLN NE2
C A 0055 LEU O 2.990 H A 0059 GLN NE2
H A 0068 VAL O 2.729 C A 0007 TYR OH
HB_SS 2.00 3.20 3
H A 0016 TRP NE1 2.763 H A 0065 SER OG
H A 0058 HIS ND1 2.609 H A 0025 TYR OH
H A 0072 GLN NE2 2.530 C A 0007 TYR OH
AROMATIC 0.00 8.00 3
H A 0029 PHE 5.337 C A 0034 PHE
H A 0026 LYS 7.935 H A 0025 TYR
H A 0025 TYR 4.958 H A 0058 HIS