Complet list of 1spy con file
Complete list of 1spy.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 357
C A 0001 MET C 2.422 C A 0002 ASP CA
C A 0001 MET C 3.674 C A 0002 ASP C
C A 0001 MET C 3.077 C A 0002 ASP CB
C A 0002 ASP C 2.423 C A 0003 ASP CA
C A 0002 ASP C 2.944 C A 0003 ASP C
C A 0002 ASP C 2.899 C A 0003 ASP CB
C A 0003 ASP C 2.422 C A 0004 ILE CA
C A 0003 ASP C 3.308 C A 0004 ILE C
C A 0003 ASP C 3.547 C A 0004 ILE CB
C A 0003 ASP C 3.573 C A 0004 ILE CG2
C A 0004 ILE C 2.424 H A 0005 TYR CA
C A 0004 ILE C 3.094 H A 0005 TYR C
C A 0004 ILE C 3.630 H A 0005 TYR CB
C A 0004 ILE C 3.548 H A 0005 TYR CD1
C A 0004 ILE CG1 2.910 H A 0005 TYR CD1
C A 0004 ILE CG1 2.874 H A 0005 TYR CE1
C A 0004 ILE CD1 3.711 H A 0005 TYR CD1
C A 0004 ILE CD1 3.103 H A 0005 TYR CE1
H A 0005 TYR C 2.423 H A 0006 LYS CA
H A 0005 TYR C 3.021 H A 0006 LYS C
H A 0005 TYR C 3.638 H A 0006 LYS CB
H A 0005 TYR CE1 3.786 H A 0083 ARG CD
H A 0006 LYS C 2.422 H A 0007 ALA CA
H A 0006 LYS C 3.100 H A 0007 ALA C
H A 0006 LYS C 3.626 H A 0007 ALA CB
H A 0007 ALA C 2.423 H A 0008 ALA CA
H A 0007 ALA C 2.878 H A 0008 ALA C
H A 0007 ALA C 3.627 H A 0008 ALA CB
H A 0007 ALA CA 3.536 H A 0010 GLU CB
H A 0007 ALA C 3.764 H A 0010 GLU CB
H A 0008 ALA C 2.421 H A 0009 VAL CA
H A 0008 ALA C 3.190 H A 0009 VAL C
H A 0008 ALA C 3.598 H A 0009 VAL CB
H A 0008 ALA CB 3.524 H A 0082 VAL CB
H A 0008 ALA CB 3.585 H A 0082 VAL CG1
H A 0008 ALA CB 3.279 H A 0082 VAL CG2
H A 0009 VAL C 2.427 H A 0010 GLU CA
H A 0009 VAL C 3.164 H A 0010 GLU C
H A 0009 VAL C 3.612 H A 0010 GLU CB
H A 0009 VAL CG2 3.627 H A 0078 LEU CD1
H A 0010 GLU C 2.423 H A 0011 GLN CA
H A 0010 GLU C 3.223 H A 0011 GLN C
H A 0010 GLU C 3.588 H A 0011 GLN CB
H A 0011 GLN C 2.423 C A 0012 LEU CA
H A 0011 GLN C 3.133 C A 0012 LEU C
H A 0011 GLN C 3.617 C A 0012 LEU CB
C A 0012 LEU C 2.423 C A 0013 THR CA
C A 0012 LEU C 3.219 C A 0013 THR C
C A 0012 LEU C 3.590 C A 0013 THR CB
C A 0012 LEU C 3.692 C A 0013 THR CG2
C A 0012 LEU CD2 3.793 H A 0016 GLN CD
C A 0012 LEU CD1 3.334 H A 0078 LEU CD2
C A 0013 THR C 2.423 H A 0014 GLU CA
C A 0013 THR C 2.846 H A 0014 GLU C
C A 0013 THR C 3.617 H A 0014 GLU CB
H A 0014 GLU C 2.422 H A 0015 GLU CA
H A 0014 GLU C 2.996 H A 0015 GLU C
H A 0014 GLU C 3.638 H A 0015 GLU CB
H A 0015 GLU C 2.424 H A 0016 GLN CA
H A 0015 GLU C 3.186 H A 0016 GLN C
H A 0015 GLU C 3.602 H A 0016 GLN CB
H A 0016 GLN C 2.423 H A 0017 LYS CA
H A 0016 GLN C 2.871 H A 0017 LYS C
H A 0016 GLN C 3.625 H A 0017 LYS CB
H A 0017 LYS C 2.424 H A 0018 ASN CA
H A 0017 LYS C 2.876 H A 0018 ASN C
H A 0017 LYS C 3.627 H A 0018 ASN CB
H A 0017 LYS CD 3.748 H A 0078 LEU CD1
H A 0018 ASN C 2.423 H A 0019 GLU CA
H A 0018 ASN C 2.926 H A 0019 GLU C
H A 0018 ASN C 3.636 H A 0019 GLU CB
H A 0018 ASN C 3.799 H A 0021 LYS CB
H A 0019 GLU C 2.424 H A 0020 PHE CA
H A 0019 GLU C 3.039 H A 0020 PHE C
H A 0019 GLU C 3.637 H A 0020 PHE CB
H A 0020 PHE C 2.424 H A 0021 LYS CA
H A 0020 PHE C 2.889 H A 0021 LYS C
H A 0020 PHE C 3.629 H A 0021 LYS CB
H A 0020 PHE CE1 3.554 H A 0048 LEU CD2
H A 0020 PHE CB 3.709 C A 0074 PHE CE1
H A 0020 PHE CB 3.449 C A 0074 PHE CZ
H A 0020 PHE CZ 3.481 H A 0081 MET CE
H A 0021 LYS C 2.424 H A 0022 ALA CA
H A 0021 LYS C 2.992 H A 0022 ALA C
H A 0021 LYS C 3.639 H A 0022 ALA CB
H A 0021 LYS CA 3.491 C A 0074 PHE CE2
H A 0021 LYS CB 3.667 C A 0074 PHE CE2
H A 0022 ALA C 2.424 H A 0023 ALA CA
H A 0022 ALA C 3.211 H A 0023 ALA C
H A 0022 ALA C 3.594 H A 0023 ALA CB
H A 0023 ALA C 2.419 H A 0024 PHE CA
H A 0023 ALA C 2.872 H A 0024 PHE C
H A 0023 ALA C 3.621 H A 0024 PHE CB
H A 0023 ALA CA 3.247 H A 0026 ILE CG1
H A 0023 ALA C 3.714 H A 0026 ILE CB
H A 0023 ALA C 3.258 H A 0026 ILE CG1
H A 0024 PHE C 2.429 H A 0025 ASP CA
H A 0024 PHE C 2.953 H A 0025 ASP C
H A 0024 PHE C 3.639 H A 0025 ASP CB
H A 0024 PHE C 3.331 C A 0028 VAL CG2
H A 0024 PHE CD2 3.314 C A 0028 VAL CG2
H A 0024 PHE CE2 3.757 C A 0028 VAL CG1
H A 0024 PHE CE2 3.388 C A 0028 VAL CG2
H A 0024 PHE CE2 3.730 C A 0034 GLY C
H A 0024 PHE CE1 3.528 E A 0036 ILE CG2
H A 0024 PHE CZ 3.449 E A 0036 ILE CG2
H A 0024 PHE CE1 3.751 E A 0073 ASP C
H A 0024 PHE CZ 3.733 E A 0073 ASP CA
H A 0024 PHE CZ 3.769 E A 0073 ASP C
H A 0025 ASP C 2.423 H A 0026 ILE CA
H A 0025 ASP C 2.990 H A 0026 ILE C
H A 0025 ASP C 3.644 H A 0026 ILE CB
H A 0025 ASP CA 3.177 C A 0028 VAL CG2
H A 0025 ASP C 3.623 C A 0028 VAL CG2
H A 0026 ILE C 2.420 H A 0027 PHE CA
H A 0026 ILE C 3.632 H A 0027 PHE C
H A 0026 ILE C 3.191 H A 0027 PHE CB
H A 0026 ILE C 3.181 H A 0027 PHE CG
H A 0026 ILE C 3.350 H A 0027 PHE CD2
H A 0026 ILE CB 3.735 H A 0027 PHE CD2
H A 0026 ILE CG2 3.360 H A 0027 PHE CD2
H A 0026 ILE CG2 3.243 H A 0027 PHE CE2
H A 0026 ILE CG2 3.729 H A 0047 MET CE
H A 0027 PHE C 2.427 C A 0028 VAL CA
H A 0027 PHE C 3.504 C A 0028 VAL C
H A 0027 PHE C 3.386 C A 0028 VAL CB
H A 0027 PHE C 3.234 C A 0028 VAL CG2
H A 0027 PHE C 3.504 E A 0036 ILE CG2
H A 0027 PHE CB 3.773 C A 0040 GLU CB
H A 0027 PHE CD2 3.444 H A 0044 VAL CG2
C A 0028 VAL C 2.428 C A 0029 LEU CA
C A 0028 VAL C 2.984 C A 0029 LEU C
C A 0028 VAL C 3.638 C A 0029 LEU CB
C A 0028 VAL CG1 3.233 C A 0034 GLY CA
C A 0028 VAL CG1 3.134 C A 0034 GLY C
C A 0028 VAL CG1 3.665 E A 0035 CYS C
C A 0028 VAL CG2 3.560 E A 0036 ILE CG2
C A 0029 LEU C 2.423 C A 0030 GLY CA
C A 0029 LEU C 3.251 C A 0030 GLY C
C A 0030 GLY C 2.422 C A 0031 ALA CA
C A 0030 GLY C 2.940 C A 0031 ALA C
C A 0030 GLY C 2.896 C A 0031 ALA CB
C A 0031 ALA C 2.427 C A 0032 GLU CA
C A 0031 ALA C 3.041 C A 0032 GLU C
C A 0031 ALA C 2.808 C A 0032 GLU CB
C A 0031 ALA CB 3.760 E A 0035 CYS CA
C A 0031 ALA CB 3.279 E A 0035 CYS C
C A 0031 ALA CB 3.337 E A 0035 CYS CB
C A 0032 GLU C 2.424 C A 0033 ASP CA
C A 0032 GLU C 3.706 C A 0033 ASP C
C A 0032 GLU C 2.926 C A 0033 ASP CB
C A 0033 ASP C 2.423 C A 0034 GLY CA
C A 0033 ASP C 3.548 C A 0034 GLY C
C A 0034 GLY C 2.423 E A 0035 CYS CA
C A 0034 GLY C 3.541 E A 0035 CYS C
C A 0034 GLY C 3.335 E A 0035 CYS CB
E A 0035 CYS C 2.421 E A 0036 ILE CA
E A 0035 CYS C 3.412 E A 0036 ILE C
E A 0035 CYS C 3.470 E A 0036 ILE CB
E A 0035 CYS C 3.438 E A 0036 ILE CG2
E A 0036 ILE C 2.423 E A 0037 SER CA
E A 0036 ILE C 3.239 E A 0037 SER C
E A 0036 ILE C 3.578 E A 0037 SER CB
E A 0036 ILE CG1 3.354 E A 0072 VAL CG2
E A 0037 SER C 2.424 C A 0038 THR CA
E A 0037 SER C 2.889 C A 0038 THR C
E A 0037 SER C 3.630 C A 0038 THR CB
E A 0037 SER CB 3.309 C A 0040 GLU CG
C A 0038 THR C 2.423 C A 0039 LYS CA
C A 0038 THR C 3.175 C A 0039 LYS C
C A 0038 THR C 3.605 C A 0039 LYS CB
C A 0038 THR CG2 3.490 H A 0061 ILE CG2
C A 0038 THR CG2 3.709 C A 0070 GLY CA
C A 0038 THR CG2 3.383 C A 0070 GLY C
C A 0039 LYS C 2.424 C A 0040 GLU CA
C A 0039 LYS C 3.225 C A 0040 GLU C
C A 0039 LYS C 3.588 C A 0040 GLU CB
C A 0039 LYS C 3.771 C A 0040 GLU CG
C A 0040 GLU C 2.427 H A 0041 LEU CA
C A 0040 GLU C 2.846 H A 0041 LEU C
C A 0040 GLU C 3.616 H A 0041 LEU CB
H A 0041 LEU C 2.422 H A 0042 GLY CA
H A 0041 LEU C 2.877 H A 0042 GLY C
H A 0041 LEU CD2 3.199 H A 0045 MET CG
H A 0041 LEU CD2 3.278 H A 0077 PHE CE1
H A 0042 GLY C 2.425 H A 0043 LYS CA
H A 0042 GLY C 2.969 H A 0043 LYS C
H A 0042 GLY C 3.639 H A 0043 LYS CB
H A 0043 LYS C 2.422 H A 0044 VAL CA
H A 0043 LYS C 3.108 H A 0044 VAL C
H A 0043 LYS C 3.623 H A 0044 VAL CB
H A 0043 LYS CA 3.664 H A 0046 ARG CG
H A 0043 LYS C 3.734 H A 0046 ARG CG
H A 0043 LYS C 3.653 H A 0047 MET CG
H A 0044 VAL C 2.423 H A 0045 MET CA
H A 0044 VAL C 3.081 H A 0045 MET C
H A 0044 VAL C 3.631 H A 0045 MET CB
H A 0044 VAL C 3.763 H A 0047 MET CB
H A 0044 VAL CG1 3.730 H A 0077 PHE CZ
H A 0045 MET C 2.422 H A 0046 ARG CA
H A 0045 MET C 3.158 H A 0046 ARG C
H A 0045 MET C 3.611 H A 0046 ARG CB
H A 0045 MET CB 3.744 C A 0052 PRO CD
H A 0045 MET CG 3.731 C A 0052 PRO CG
H A 0045 MET CE 3.769 H A 0081 MET CG
H A 0046 ARG C 2.424 H A 0047 MET CA
H A 0046 ARG C 3.100 H A 0047 MET C
H A 0046 ARG C 3.628 H A 0047 MET CB
H A 0047 MET C 2.423 H A 0048 LEU CA
H A 0047 MET C 3.299 H A 0048 LEU C
H A 0047 MET C 3.549 H A 0048 LEU CB
H A 0048 LEU C 2.423 C A 0049 GLY CA
H A 0048 LEU C 3.626 C A 0049 GLY C
C A 0049 GLY C 2.424 C A 0050 GLN CA
C A 0049 GLY C 2.856 C A 0050 GLN C
C A 0049 GLY C 3.618 C A 0050 GLN CB
C A 0050 GLN C 2.425 C A 0051 ASN CA
C A 0050 GLN C 3.503 C A 0051 ASN C
C A 0050 GLN C 3.387 C A 0051 ASN CB
C A 0050 GLN C 3.088 C A 0052 PRO CD
C A 0051 ASN CA 2.842 C A 0052 PRO CD
C A 0051 ASN C 2.428 C A 0052 PRO CA
C A 0051 ASN C 3.112 C A 0052 PRO C
C A 0051 ASN C 3.606 C A 0052 PRO CB
C A 0051 ASN C 3.622 C A 0052 PRO CG
C A 0051 ASN C 2.480 C A 0052 PRO CD
C A 0052 PRO C 2.427 C A 0053 THR CA
C A 0052 PRO C 3.217 C A 0053 THR C
C A 0052 PRO C 3.594 C A 0053 THR CB
C A 0053 THR CA 2.847 H A 0054 PRO CD
C A 0053 THR C 2.430 H A 0054 PRO CA
C A 0053 THR C 3.098 H A 0054 PRO C
C A 0053 THR C 3.610 H A 0054 PRO CB
C A 0053 THR C 3.620 H A 0054 PRO CG
C A 0053 THR C 2.482 H A 0054 PRO CD
C A 0053 THR CB 3.490 H A 0054 PRO CD
C A 0053 THR CG2 3.573 H A 0056 GLU CB
C A 0053 THR C 3.629 H A 0057 LEU CD1
H A 0054 PRO C 2.424 H A 0055 GLU CA
H A 0054 PRO C 3.010 H A 0055 GLU C
H A 0054 PRO C 3.640 H A 0055 GLU CB
H A 0055 GLU C 2.423 H A 0056 GLU CA
H A 0055 GLU C 3.240 H A 0056 GLU C
H A 0055 GLU C 3.580 H A 0056 GLU CB
H A 0056 GLU C 2.423 H A 0057 LEU CA
H A 0056 GLU C 3.027 H A 0057 LEU C
H A 0056 GLU C 3.637 H A 0057 LEU CB
H A 0057 LEU C 2.423 H A 0058 GLN CA
H A 0057 LEU C 2.976 H A 0058 GLN C
H A 0057 LEU C 3.640 H A 0058 GLN CB
H A 0057 LEU C 3.479 H A 0061 ILE CD1
H A 0058 GLN C 2.424 H A 0059 GLU CA
H A 0058 GLN C 2.884 H A 0059 GLU C
H A 0058 GLN C 3.630 H A 0059 GLU CB
H A 0058 GLN CA 3.736 H A 0061 ILE CD1
H A 0059 GLU C 2.423 H A 0060 MET CA
H A 0059 GLU C 2.889 H A 0060 MET C
H A 0059 GLU C 3.629 H A 0060 MET CB
H A 0060 MET C 2.424 H A 0061 ILE CA
H A 0060 MET C 2.906 H A 0061 ILE C
H A 0060 MET C 3.633 H A 0061 ILE CB
H A 0061 ILE C 2.422 H A 0062 ASP CA
H A 0061 ILE C 2.884 H A 0062 ASP C
H A 0061 ILE C 3.630 H A 0062 ASP CB
H A 0061 ILE CG1 3.182 H A 0080 MET CE
H A 0062 ASP C 2.423 H A 0063 GLU CA
H A 0062 ASP C 3.193 H A 0063 GLU C
H A 0062 ASP C 3.600 H A 0063 GLU CB
H A 0062 ASP C 3.746 H A 0063 GLU CG
H A 0063 GLU C 2.425 H A 0064 VAL CA
H A 0063 GLU C 3.186 H A 0064 VAL C
H A 0063 GLU C 3.603 H A 0064 VAL CB
H A 0064 VAL C 2.423 C A 0065 ASP CA
H A 0064 VAL C 3.310 C A 0065 ASP C
H A 0064 VAL C 3.544 C A 0065 ASP CB
C A 0065 ASP C 2.422 C A 0066 GLU CA
C A 0065 ASP C 2.876 C A 0066 GLU C
C A 0065 ASP C 3.627 C A 0066 GLU CB
C A 0066 GLU C 2.423 C A 0067 ASP CA
C A 0066 GLU C 3.215 C A 0067 ASP C
C A 0066 GLU C 3.590 C A 0067 ASP CB
C A 0067 ASP C 2.423 C A 0068 GLY CA
C A 0067 ASP C 2.913 C A 0068 GLY C
C A 0067 ASP CG 3.794 C A 0069 SER CB
C A 0068 GLY C 2.423 C A 0069 SER CA
C A 0068 GLY C 2.961 C A 0069 SER C
C A 0068 GLY C 3.638 C A 0069 SER CB
C A 0069 SER C 2.423 C A 0070 GLY CA
C A 0069 SER C 2.987 C A 0070 GLY C
C A 0070 GLY C 2.422 E A 0071 THR CA
C A 0070 GLY C 3.660 E A 0071 THR C
C A 0070 GLY C 3.121 E A 0071 THR CB
C A 0070 GLY C 3.096 E A 0071 THR CG2
E A 0071 THR C 2.424 E A 0072 VAL CA
E A 0071 THR C 3.398 E A 0072 VAL C
E A 0071 THR C 3.508 E A 0072 VAL CB
E A 0072 VAL C 2.422 E A 0073 ASP CA
E A 0072 VAL C 3.449 E A 0073 ASP C
E A 0072 VAL C 3.426 E A 0073 ASP CB
E A 0072 VAL CG1 3.745 H A 0076 GLU CB
E A 0072 VAL CG1 3.342 H A 0080 MET CE
E A 0073 ASP C 2.414 C A 0074 PHE CA
E A 0073 ASP C 2.949 C A 0074 PHE C
E A 0073 ASP C 3.632 C A 0074 PHE CB
E A 0073 ASP CG 3.625 C A 0075 ASP CB
E A 0073 ASP CG 3.543 H A 0076 GLU CG
C A 0074 PHE C 2.422 C A 0075 ASP CA
C A 0074 PHE C 3.191 C A 0075 ASP C
C A 0074 PHE C 3.599 C A 0075 ASP CB
C A 0075 ASP C 2.424 H A 0076 GLU CA
C A 0075 ASP C 3.223 H A 0076 GLU C
C A 0075 ASP C 3.587 H A 0076 GLU CB
C A 0075 ASP C 3.745 H A 0076 GLU CG
H A 0076 GLU C 2.423 H A 0077 PHE CA
H A 0076 GLU C 2.886 H A 0077 PHE C
H A 0076 GLU C 3.627 H A 0077 PHE CB
H A 0077 PHE C 2.424 H A 0078 LEU CA
H A 0077 PHE C 2.905 H A 0078 LEU C
H A 0077 PHE C 3.633 H A 0078 LEU CB
H A 0077 PHE CZ 3.649 H A 0081 MET CG
H A 0078 LEU C 2.423 H A 0079 VAL CA
H A 0078 LEU C 2.946 H A 0079 VAL C
H A 0078 LEU C 3.638 H A 0079 VAL CB
H A 0079 VAL C 2.424 H A 0080 MET CA
H A 0079 VAL C 3.031 H A 0080 MET C
H A 0079 VAL C 3.637 H A 0080 MET CB
H A 0079 VAL CA 3.499 H A 0082 VAL CG2
H A 0079 VAL C 3.491 H A 0082 VAL CG2
H A 0080 MET C 2.424 H A 0081 MET CA
H A 0080 MET C 3.050 H A 0081 MET C
H A 0080 MET C 3.635 H A 0081 MET CB
H A 0081 MET C 2.424 H A 0082 VAL CA
H A 0081 MET C 3.065 H A 0082 VAL C
H A 0081 MET C 3.634 H A 0082 VAL CB
H A 0081 MET CE 3.790 C A 0085 MET CE
H A 0082 VAL C 2.423 H A 0083 ARG CA
H A 0082 VAL C 3.268 H A 0083 ARG C
H A 0082 VAL C 3.566 H A 0083 ARG CB
H A 0083 ARG C 2.422 H A 0084 CYS CA
H A 0083 ARG C 3.260 H A 0084 CYS C
H A 0083 ARG C 3.569 H A 0084 CYS CB
H A 0084 CYS C 2.424 C A 0085 MET CA
H A 0084 CYS C 3.121 C A 0085 MET C
H A 0084 CYS C 3.623 C A 0085 MET CB
C A 0085 MET C 2.423 C A 0086 LYS CA
C A 0085 MET C 3.471 C A 0086 LYS C
C A 0085 MET C 3.418 C A 0086 LYS CB
C A 0086 LYS C 2.423 C A 0087 ASP CA
C A 0086 LYS C 3.028 C A 0087 ASP C
C A 0086 LYS C 2.810 C A 0087 ASP CB
C A 0087 ASP C 2.424 C A 0088 ASP CA
C A 0087 ASP C 2.850 C A 0088 ASP C
C A 0087 ASP C 3.016 C A 0088 ASP CB
C A 0087 ASP C 3.756 C A 0088 ASP CG
C A 0088 ASP C 2.423 C A 0089 SER CA
C A 0088 ASP C 2.903 C A 0089 SER C
C A 0088 ASP C 2.942 C A 0089 SER CB
CHARGE_ATTR 2.00 12.00 44
C A 0002 ASP OD2 10.89 H A 0083 ARG NH1
C A 0003 ASP OD1 9.317 H A 0006 LYS NZ
C A 0003 ASP OD2 7.340 H A 0006 LYS NZ
C A 0003 ASP OD1 10.88 H A 0083 ARG NH1
C A 0003 ASP OD2 10.65 H A 0083 ARG NH1
H A 0010 GLU OE1 6.746 H A 0006 LYS NZ
H A 0010 GLU OE2 5.076 H A 0006 LYS NZ
H A 0010 GLU OE1 9.715 H A 0017 LYS NZ
H A 0010 GLU OE2 9.838 H A 0017 LYS NZ
H A 0014 GLU OE1 7.819 H A 0017 LYS NZ
H A 0014 GLU OE2 7.763 H A 0017 LYS NZ
H A 0014 GLU OE1 11.89 H A 0021 LYS NZ
H A 0014 GLU OE2 10.46 H A 0021 LYS NZ
H A 0015 GLU OE2 11.50 H A 0017 LYS NZ
H A 0015 GLU OE1 11.91 H A 0021 LYS NZ
H A 0015 GLU OE2 10.03 H A 0021 LYS NZ
H A 0019 GLU OE1 10.75 H A 0021 LYS NZ
H A 0019 GLU OE2 11.88 H A 0021 LYS NZ
H A 0025 ASP OD1 6.892 H A 0021 LYS NZ
H A 0025 ASP OD2 5.653 H A 0021 LYS NZ
C A 0040 GLU OE1 8.922 C A 0039 LYS NZ
C A 0040 GLU OE2 7.309 C A 0039 LYS NZ
C A 0040 GLU OE1 6.839 H A 0043 LYS NZ
C A 0040 GLU OE2 8.217 H A 0043 LYS NZ
C A 0040 GLU OE1 10.86 H A 0046 ARG NH1
C A 0040 GLU OE1 8.832 H A 0046 ARG NH2
C A 0040 GLU OE2 10.81 H A 0046 ARG NH2
H A 0056 GLU OE1 10.00 H A 0083 ARG NH1
H A 0056 GLU OE1 8.096 H A 0083 ARG NH2
H A 0056 GLU OE2 10.67 H A 0083 ARG NH1
H A 0056 GLU OE2 8.547 H A 0083 ARG NH2
H A 0063 GLU OE1 8.929 H A 0083 ARG NH1
H A 0063 GLU OE1 8.274 H A 0083 ARG NH2
H A 0063 GLU OE2 10.47 H A 0083 ARG NH1
H A 0063 GLU OE2 9.443 H A 0083 ARG NH2
E A 0073 ASP OD1 11.63 H A 0017 LYS NZ
C A 0075 ASP OD1 7.900 H A 0006 LYS NZ
C A 0075 ASP OD2 7.894 H A 0006 LYS NZ
C A 0075 ASP OD1 9.544 H A 0017 LYS NZ
C A 0075 ASP OD2 9.380 H A 0017 LYS NZ
H A 0076 GLU OE1 11.80 H A 0006 LYS NZ
C A 0087 ASP OD1 8.606 C A 0086 LYS NZ
C A 0087 ASP OD2 6.526 C A 0086 LYS NZ
C A 0088 ASP OD1 11.56 H A 0083 ARG NH1
CHARGE_REPU 2.00 12.00 144
C A 0002 ASP OD1 7.963 C A 0003 ASP OD1
C A 0002 ASP OD1 8.125 C A 0003 ASP OD2
C A 0002 ASP OD2 8.802 C A 0003 ASP OD1
C A 0002 ASP OD2 9.082 C A 0003 ASP OD2
C A 0002 ASP OD1 11.22 H A 0010 GLU OE1
C A 0002 ASP OD1 10.37 H A 0010 GLU OE2
C A 0002 ASP OD2 11.93 H A 0010 GLU OE2
C A 0002 ASP OD1 10.89 C A 0088 ASP OD1
C A 0002 ASP OD2 10.25 C A 0088 ASP OD1
C A 0002 ASP OD2 11.76 C A 0088 ASP OD2
C A 0003 ASP OD1 10.95 H A 0010 GLU OE2
C A 0003 ASP OD2 10.94 H A 0010 GLU OE1
C A 0003 ASP OD2 9.183 H A 0010 GLU OE2
C A 0003 ASP OD1 11.26 C A 0075 ASP OD1
C A 0003 ASP OD2 9.774 C A 0075 ASP OD1
C A 0003 ASP OD2 10.90 C A 0075 ASP OD2
C A 0003 ASP OD1 11.67 H A 0076 GLU OE1
C A 0003 ASP OD2 10.84 H A 0076 GLU OE1
H A 0006 LYS NZ 7.936 H A 0017 LYS NZ
H A 0010 GLU OE1 10.93 C A 0088 ASP OD1
H A 0010 GLU OE1 10.13 C A 0088 ASP OD2
H A 0010 GLU OE2 11.87 C A 0088 ASP OD1
H A 0010 GLU OE2 11.26 C A 0088 ASP OD2
H A 0014 GLU OE1 10.14 H A 0015 GLU OE1
H A 0014 GLU OE1 8.882 H A 0015 GLU OE2
H A 0014 GLU OE2 11.04 H A 0015 GLU OE1
H A 0014 GLU OE2 9.490 H A 0015 GLU OE2
H A 0015 GLU OE1 4.687 H A 0019 GLU OE1
H A 0015 GLU OE1 6.200 H A 0019 GLU OE2
H A 0015 GLU OE2 5.192 H A 0019 GLU OE1
H A 0015 GLU OE2 6.923 H A 0019 GLU OE2
H A 0019 GLU OE1 11.91 H A 0025 ASP OD2
H A 0025 ASP OD1 8.755 C A 0033 ASP OD1
H A 0025 ASP OD1 10.87 C A 0033 ASP OD2
H A 0025 ASP OD2 10.72 C A 0033 ASP OD1
C A 0032 GLU OE1 5.651 C A 0033 ASP OD1
C A 0032 GLU OE1 4.506 C A 0033 ASP OD2
C A 0032 GLU OE2 7.668 C A 0033 ASP OD1
C A 0032 GLU OE2 6.221 C A 0033 ASP OD2
C A 0032 GLU OE1 11.27 C A 0067 ASP OD2
C A 0032 GLU OE2 10.20 C A 0067 ASP OD2
C A 0032 GLU OE1 10.48 E A 0073 ASP OD1
C A 0032 GLU OE1 8.718 E A 0073 ASP OD2
C A 0032 GLU OE2 11.17 E A 0073 ASP OD1
C A 0032 GLU OE2 9.221 E A 0073 ASP OD2
C A 0033 ASP OD1 11.46 E A 0073 ASP OD2
C A 0033 ASP OD2 11.76 E A 0073 ASP OD2
H A 0043 LYS NZ 5.851 H A 0046 ARG NH1
H A 0043 LYS NZ 4.607 H A 0046 ARG NH2
H A 0055 GLU OE1 10.06 H A 0056 GLU OE1
H A 0055 GLU OE1 9.837 H A 0056 GLU OE2
H A 0055 GLU OE2 10.47 H A 0056 GLU OE1
H A 0055 GLU OE2 9.911 H A 0056 GLU OE2
H A 0055 GLU OE1 8.773 H A 0059 GLU OE1
H A 0055 GLU OE1 10.68 H A 0059 GLU OE2
H A 0055 GLU OE2 8.083 H A 0059 GLU OE1
H A 0055 GLU OE2 9.980 H A 0059 GLU OE2
H A 0056 GLU OE1 8.568 H A 0059 GLU OE1
H A 0056 GLU OE1 10.14 H A 0059 GLU OE2
H A 0056 GLU OE2 8.712 H A 0059 GLU OE1
H A 0056 GLU OE2 10.44 H A 0059 GLU OE2
H A 0056 GLU OE1 9.476 H A 0063 GLU OE1
H A 0056 GLU OE1 9.093 H A 0063 GLU OE2
H A 0056 GLU OE2 10.33 H A 0063 GLU OE1
H A 0056 GLU OE2 9.728 H A 0063 GLU OE2
H A 0059 GLU OE1 7.785 H A 0062 ASP OD1
H A 0059 GLU OE1 7.502 H A 0062 ASP OD2
H A 0059 GLU OE2 6.182 H A 0062 ASP OD1
H A 0059 GLU OE2 5.558 H A 0062 ASP OD2
H A 0059 GLU OE1 8.721 H A 0063 GLU OE1
H A 0059 GLU OE1 6.760 H A 0063 GLU OE2
H A 0059 GLU OE2 8.120 H A 0063 GLU OE1
H A 0059 GLU OE2 6.082 H A 0063 GLU OE2
H A 0062 ASP OD1 9.016 H A 0063 GLU OE1
H A 0062 ASP OD1 7.982 H A 0063 GLU OE2
H A 0062 ASP OD2 8.167 H A 0063 GLU OE1
H A 0062 ASP OD2 6.967 H A 0063 GLU OE2
H A 0062 ASP OD1 9.129 C A 0065 ASP OD1
H A 0062 ASP OD1 8.349 C A 0065 ASP OD2
H A 0062 ASP OD2 10.29 C A 0065 ASP OD1
H A 0062 ASP OD2 9.869 C A 0065 ASP OD2
H A 0062 ASP OD1 11.30 C A 0066 GLU OE1
H A 0062 ASP OD1 9.901 C A 0066 GLU OE2
H A 0062 ASP OD2 11.04 C A 0066 GLU OE1
H A 0062 ASP OD2 9.510 C A 0066 GLU OE2
H A 0062 ASP OD1 9.125 C A 0067 ASP OD1
H A 0062 ASP OD1 11.23 C A 0067 ASP OD2
H A 0062 ASP OD2 9.987 C A 0067 ASP OD1
H A 0062 ASP OD1 11.91 H A 0076 GLU OE2
H A 0063 GLU OE1 11.21 C A 0065 ASP OD1
H A 0063 GLU OE2 12.00 C A 0065 ASP OD1
H A 0063 GLU OE1 11.56 H A 0076 GLU OE1
H A 0063 GLU OE1 11.99 H A 0076 GLU OE2
C A 0065 ASP OD1 8.871 C A 0066 GLU OE1
C A 0065 ASP OD1 9.302 C A 0066 GLU OE2
C A 0065 ASP OD2 9.849 C A 0066 GLU OE1
C A 0065 ASP OD2 9.912 C A 0066 GLU OE2
C A 0065 ASP OD1 4.194 C A 0067 ASP OD1
C A 0065 ASP OD1 5.263 C A 0067 ASP OD2
C A 0065 ASP OD2 4.488 C A 0067 ASP OD1
C A 0065 ASP OD2 5.660 C A 0067 ASP OD2
C A 0065 ASP OD1 7.149 E A 0073 ASP OD1
C A 0065 ASP OD1 7.234 E A 0073 ASP OD2
C A 0065 ASP OD2 8.080 E A 0073 ASP OD1
C A 0065 ASP OD2 8.152 E A 0073 ASP OD2
C A 0065 ASP OD1 9.325 C A 0075 ASP OD1
C A 0065 ASP OD1 10.49 C A 0075 ASP OD2
C A 0065 ASP OD2 11.02 C A 0075 ASP OD1
C A 0065 ASP OD1 4.962 H A 0076 GLU OE1
C A 0065 ASP OD1 3.139 H A 0076 GLU OE2
C A 0065 ASP OD2 6.889 H A 0076 GLU OE1
C A 0065 ASP OD2 5.058 H A 0076 GLU OE2
C A 0066 GLU OE1 5.735 C A 0067 ASP OD1
C A 0066 GLU OE1 6.169 C A 0067 ASP OD2
C A 0066 GLU OE2 5.992 C A 0067 ASP OD1
C A 0066 GLU OE2 6.899 C A 0067 ASP OD2
C A 0066 GLU OE1 10.91 H A 0076 GLU OE1
C A 0066 GLU OE1 9.745 H A 0076 GLU OE2
C A 0066 GLU OE2 10.76 H A 0076 GLU OE2
C A 0067 ASP OD1 10.38 E A 0073 ASP OD1
C A 0067 ASP OD1 9.694 E A 0073 ASP OD2
C A 0067 ASP OD2 10.08 E A 0073 ASP OD1
C A 0067 ASP OD2 8.976 E A 0073 ASP OD2
C A 0067 ASP OD2 11.91 C A 0075 ASP OD1
C A 0067 ASP OD1 8.118 H A 0076 GLU OE1
C A 0067 ASP OD1 6.194 H A 0076 GLU OE2
C A 0067 ASP OD2 8.447 H A 0076 GLU OE1
C A 0067 ASP OD2 6.469 H A 0076 GLU OE2
E A 0073 ASP OD1 4.804 C A 0075 ASP OD1
E A 0073 ASP OD1 5.300 C A 0075 ASP OD2
E A 0073 ASP OD2 5.480 C A 0075 ASP OD1
E A 0073 ASP OD2 5.311 C A 0075 ASP OD2
E A 0073 ASP OD1 4.962 H A 0076 GLU OE1
E A 0073 ASP OD1 5.029 H A 0076 GLU OE2
E A 0073 ASP OD2 5.625 H A 0076 GLU OE1
E A 0073 ASP OD2 5.160 H A 0076 GLU OE2
C A 0075 ASP OD1 4.707 H A 0076 GLU OE1
C A 0075 ASP OD1 6.257 H A 0076 GLU OE2
C A 0075 ASP OD2 6.311 H A 0076 GLU OE1
C A 0075 ASP OD2 7.433 H A 0076 GLU OE2
C A 0087 ASP OD1 5.032 C A 0088 ASP OD1
C A 0087 ASP OD1 4.252 C A 0088 ASP OD2
C A 0087 ASP OD2 6.950 C A 0088 ASP OD1
C A 0087 ASP OD2 6.305 C A 0088 ASP OD2
HB_MM 2.00 3.20 161
C A 0002 ASP N 2.197 C A 0001 MET O
C A 0003 ASP N 2.197 C A 0002 ASP O
C A 0004 ILE N 2.197 C A 0003 ASP O
H A 0005 TYR N 2.197 C A 0004 ILE O
H A 0006 LYS N 2.196 H A 0005 TYR O
H A 0007 ALA N 2.197 H A 0006 LYS O
H A 0008 ALA N 2.196 H A 0007 ALA O
H A 0009 VAL N 3.050 H A 0007 ALA O
H A 0009 VAL N 2.196 H A 0008 ALA O
H A 0010 GLU N 2.740 H A 0007 ALA O
H A 0010 GLU N 2.197 H A 0009 VAL O
H A 0011 GLN N 2.778 H A 0007 ALA O
H A 0011 GLN N 2.198 H A 0010 GLU O
C A 0012 LEU N 2.196 H A 0011 GLN O
C A 0013 THR N 2.195 C A 0012 LEU O
H A 0014 GLU N 2.197 C A 0013 THR O
H A 0015 GLU N 2.742 C A 0013 THR O
H A 0015 GLU N 2.196 H A 0014 GLU O
H A 0016 GLN N 2.433 C A 0013 THR O
H A 0016 GLN N 3.117 H A 0014 GLU O
H A 0016 GLN N 2.197 H A 0015 GLU O
H A 0017 LYS N 3.073 C A 0013 THR O
H A 0017 LYS N 2.197 H A 0016 GLN O
H A 0018 ASN N 3.173 H A 0014 GLU O
H A 0018 ASN N 2.961 H A 0016 GLN O
H A 0018 ASN N 2.197 H A 0017 LYS O
H A 0019 GLU N 2.681 H A 0016 GLN O
H A 0019 GLU N 2.841 H A 0017 LYS O
H A 0019 GLU N 2.197 H A 0018 ASN O
H A 0020 PHE N 2.808 H A 0017 LYS O
H A 0020 PHE N 2.196 H A 0019 GLU O
H A 0021 LYS N 3.075 H A 0017 LYS O
H A 0021 LYS N 3.059 H A 0018 ASN O
H A 0021 LYS N 2.197 H A 0020 PHE O
H A 0022 ALA N 3.016 H A 0020 PHE O
H A 0022 ALA N 2.196 H A 0021 LYS O
H A 0023 ALA N 2.761 H A 0020 PHE O
H A 0023 ALA N 2.196 H A 0022 ALA O
H A 0024 PHE N 2.431 H A 0020 PHE O
H A 0024 PHE N 2.191 H A 0023 ALA O
H A 0025 ASP N 3.099 H A 0023 ALA O
H A 0025 ASP N 2.197 H A 0024 PHE O
H A 0026 ILE N 2.587 H A 0023 ALA O
H A 0026 ILE N 2.749 H A 0024 PHE O
H A 0026 ILE N 2.195 H A 0025 ASP O
H A 0027 PHE N 2.896 H A 0024 PHE O
H A 0027 PHE N 2.970 H A 0025 ASP O
H A 0027 PHE N 2.196 H A 0026 ILE O
C A 0028 VAL N 2.198 H A 0027 PHE O
C A 0029 LEU N 2.200 C A 0028 VAL O
C A 0030 GLY N 2.757 C A 0028 VAL O
C A 0030 GLY N 2.196 C A 0029 LEU O
C A 0031 ALA N 2.197 C A 0030 GLY O
C A 0032 GLU N 2.196 C A 0031 ALA O
C A 0033 ASP N 2.505 C A 0031 ALA O
C A 0033 ASP N 2.196 C A 0032 GLU O
C A 0034 GLY N 2.196 C A 0033 ASP O
E A 0035 CYS N 2.197 C A 0034 GLY O
E A 0036 ILE N 2.196 E A 0035 CYS O
E A 0036 ILE N 2.796 E A 0072 VAL O
E A 0037 SER N 2.197 E A 0036 ILE O
C A 0038 THR N 2.197 E A 0037 SER O
C A 0039 LYS N 2.625 E A 0037 SER O
C A 0039 LYS N 2.197 C A 0038 THR O
C A 0040 GLU N 2.501 E A 0037 SER O
C A 0040 GLU N 2.196 C A 0039 LYS O
H A 0041 LEU N 2.198 C A 0040 GLU O
H A 0042 GLY N 2.689 C A 0040 GLU O
H A 0042 GLY N 2.196 H A 0041 LEU O
H A 0043 LYS N 2.910 C A 0040 GLU O
H A 0043 LYS N 2.197 H A 0042 GLY O
H A 0044 VAL N 3.179 C A 0040 GLU O
H A 0044 VAL N 2.882 H A 0041 LEU O
H A 0044 VAL N 3.048 H A 0042 GLY O
H A 0044 VAL N 2.195 H A 0043 LYS O
H A 0045 MET N 2.583 H A 0041 LEU O
H A 0045 MET N 2.954 H A 0042 GLY O
H A 0045 MET N 2.196 H A 0044 VAL O
H A 0046 ARG N 3.181 H A 0042 GLY O
H A 0046 ARG N 2.196 H A 0045 MET O
H A 0046 ARG N 3.005 C A 0050 GLN O
H A 0047 MET N 3.142 H A 0043 LYS O
H A 0047 MET N 2.197 H A 0046 ARG O
H A 0048 LEU N 2.196 H A 0047 MET O
C A 0049 GLY N 2.197 H A 0048 LEU O
C A 0050 GLN N 2.196 C A 0049 GLY O
C A 0051 ASN N 2.928 C A 0049 GLY O
C A 0051 ASN N 2.197 C A 0050 GLN O
C A 0052 PRO N 2.226 C A 0051 ASN O
C A 0053 THR N 2.198 C A 0052 PRO O
H A 0054 PRO N 2.227 C A 0053 THR O
H A 0055 GLU N 2.195 H A 0054 PRO O
H A 0056 GLU N 2.197 H A 0055 GLU O
H A 0057 LEU N 2.197 H A 0056 GLU O
H A 0058 GLN N 3.049 H A 0054 PRO O
H A 0058 GLN N 2.197 H A 0057 LEU O
H A 0059 GLU N 2.197 H A 0058 GLN O
H A 0060 MET N 3.164 H A 0058 GLN O
H A 0060 MET N 2.198 H A 0059 GLU O
H A 0061 ILE N 3.162 H A 0057 LEU O
H A 0061 ILE N 2.981 H A 0058 GLN O
H A 0061 ILE N 3.162 H A 0059 GLU O
H A 0061 ILE N 2.196 H A 0060 MET O
H A 0062 ASP N 3.059 H A 0058 GLN O
H A 0062 ASP N 2.920 H A 0059 GLU O
H A 0062 ASP N 3.144 H A 0060 MET O
H A 0062 ASP N 2.196 H A 0061 ILE O
H A 0063 GLU N 2.810 H A 0060 MET O
H A 0063 GLU N 2.902 H A 0061 ILE O
H A 0063 GLU N 2.197 H A 0062 ASP O
H A 0064 VAL N 2.800 H A 0060 MET O
H A 0064 VAL N 2.694 H A 0061 ILE O
H A 0064 VAL N 2.198 H A 0063 GLU O
C A 0065 ASP N 2.563 H A 0061 ILE O
C A 0065 ASP N 2.198 H A 0064 VAL O
C A 0066 GLU N 2.196 C A 0065 ASP O
C A 0067 ASP N 2.707 C A 0065 ASP O
C A 0067 ASP N 2.196 C A 0066 GLU O
C A 0068 GLY N 2.437 C A 0065 ASP O
C A 0068 GLY N 2.197 C A 0067 ASP O
C A 0069 SER N 3.023 C A 0067 ASP O
C A 0069 SER N 2.196 C A 0068 GLY O
C A 0070 GLY N 2.942 C A 0068 GLY O
C A 0070 GLY N 2.197 C A 0069 SER O
E A 0071 THR N 3.060 C A 0069 SER O
E A 0071 THR N 2.196 C A 0070 GLY O
E A 0072 VAL N 3.102 E A 0036 ILE O
E A 0072 VAL N 2.197 E A 0071 THR O
E A 0073 ASP N 2.198 E A 0072 VAL O
C A 0074 PHE N 2.191 E A 0073 ASP O
C A 0075 ASP N 2.808 E A 0073 ASP O
C A 0075 ASP N 2.196 C A 0074 PHE O
H A 0076 GLU N 2.933 E A 0073 ASP O
H A 0076 GLU N 2.197 C A 0075 ASP O
H A 0077 PHE N 2.765 E A 0073 ASP O
H A 0077 PHE N 2.195 H A 0076 GLU O
H A 0078 LEU N 3.018 H A 0076 GLU O
H A 0078 LEU N 2.196 H A 0077 PHE O
H A 0079 VAL N 2.880 H A 0076 GLU O
H A 0079 VAL N 3.124 H A 0077 PHE O
H A 0079 VAL N 2.195 H A 0078 LEU O
H A 0080 MET N 2.821 H A 0077 PHE O
H A 0080 MET N 3.124 H A 0078 LEU O
H A 0080 MET N 2.196 H A 0079 VAL O
H A 0081 MET N 3.053 H A 0077 PHE O
H A 0081 MET N 2.988 H A 0078 LEU O
H A 0081 MET N 2.196 H A 0080 MET O
H A 0082 VAL N 3.016 H A 0078 LEU O
H A 0082 VAL N 2.197 H A 0081 MET O
H A 0083 ARG N 2.963 H A 0079 VAL O
H A 0083 ARG N 3.160 H A 0081 MET O
H A 0083 ARG N 2.197 H A 0082 VAL O
H A 0084 CYS N 3.094 H A 0080 MET O
H A 0084 CYS N 3.174 H A 0081 MET O
H A 0084 CYS N 2.196 H A 0083 ARG O
C A 0085 MET N 2.197 H A 0084 CYS O
C A 0086 LYS N 2.196 C A 0085 MET O
C A 0087 ASP N 2.197 C A 0086 LYS O
C A 0088 ASP N 2.196 C A 0087 ASP O
C A 0089 SER N 2.903 C A 0087 ASP O
C A 0089 SER N 2.196 C A 0088 ASP O
HB_MS 2.00 3.20 9
H A 0014 GLU O 3.197 H A 0018 ASN ND2
C A 0039 LYS N 2.939 E A 0037 SER OG
C A 0039 LYS N 3.149 C A 0038 THR OG1
H A 0054 PRO N 3.082 C A 0053 THR OG1
C A 0068 GLY N 2.946 C A 0067 ASP OD1
C A 0069 SER N 3.115 C A 0067 ASP OD1
C A 0069 SER O 3.001 E A 0071 THR OG1
C A 0075 ASP N 2.751 E A 0073 ASP OD1
H A 0076 GLU N 2.442 E A 0073 ASP OD1
HB_SS 2.00 3.20 4
C A 0065 ASP OD1 3.121 C A 0069 SER OG
C A 0065 ASP OD2 2.440 C A 0069 SER OG
C A 0067 ASP OD1 2.708 C A 0069 SER OG
C A 0088 ASP OD2 3.151 H A 0011 GLN NE2
AROMATIC 0.00 8.00 5
H A 0024 PHE 5.203 C A 0074 PHE
H A 0083 ARG 5.139 H A 0005 TYR
H A 0020 PHE 5.500 H A 0077 PHE
H A 0043 LYS 6.794 H A 0027 PHE
H A 0046 ARG 7.295 H A 0027 PHE