Complet list of 1pru con file
Complete list of 1pru.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 200
C A 0001 MET C 2.445 C A 0002 ALA CA
C A 0001 MET C 3.228 C A 0002 ALA C
C A 0001 MET C 3.653 C A 0002 ALA CB
C A 0001 MET CG 3.789 C A 0003 THR CG2
C A 0001 MET C 3.689 H A 0006 ASP CG
C A 0002 ALA C 2.455 C A 0003 THR CA
C A 0002 ALA C 3.573 C A 0003 THR C
C A 0002 ALA C 3.417 C A 0003 THR CB
C A 0002 ALA C 3.277 C A 0003 THR CG2
C A 0003 THR C 2.454 H A 0004 ILE CA
C A 0003 THR C 3.010 H A 0004 ILE C
C A 0003 THR C 3.724 H A 0004 ILE CB
C A 0003 THR CA 3.775 C A 0045 TYR CD1
C A 0003 THR C 3.614 C A 0045 TYR CD1
H A 0004 ILE C 2.451 H A 0005 LYS CA
H A 0004 ILE C 2.995 H A 0005 LYS C
H A 0004 ILE C 3.709 H A 0005 LYS CB
H A 0005 LYS C 2.449 H A 0006 ASP CA
H A 0005 LYS C 2.991 H A 0006 ASP C
H A 0005 LYS C 3.714 H A 0006 ASP CB
H A 0006 ASP C 2.455 H A 0007 VAL CA
H A 0006 ASP C 2.966 H A 0007 VAL C
H A 0006 ASP C 3.710 H A 0007 VAL CB
H A 0007 VAL C 2.443 H A 0008 ALA CA
H A 0007 VAL C 2.985 H A 0008 ALA C
H A 0007 VAL C 3.700 H A 0008 ALA CB
H A 0007 VAL CG1 3.583 H A 0040 ILE CG1
H A 0007 VAL CA 3.596 C A 0043 LEU CD1
H A 0007 VAL CG2 3.639 C A 0043 LEU CD1
H A 0008 ALA C 2.442 H A 0009 LYS CA
H A 0008 ALA C 3.057 H A 0009 LYS C
H A 0008 ALA C 3.706 H A 0009 LYS CB
H A 0008 ALA CB 3.531 C A 0014 SER C
H A 0008 ALA CB 3.640 H A 0015 THR CA
H A 0009 LYS C 2.448 H A 0010 ARG CA
H A 0009 LYS C 3.004 H A 0010 ARG C
H A 0009 LYS C 3.714 H A 0010 ARG CB
H A 0010 ARG C 2.444 H A 0011 ALA CA
H A 0010 ARG C 3.091 H A 0011 ALA C
H A 0010 ARG C 3.696 H A 0011 ALA CB
H A 0010 ARG CD 3.508 C A 0043 LEU CD1
H A 0011 ALA C 2.440 C A 0012 ASN CA
H A 0011 ALA C 3.688 C A 0012 ASN C
H A 0011 ALA C 3.169 C A 0012 ASN CB
C A 0012 ASN C 2.455 C A 0013 VAL CA
C A 0012 ASN C 3.647 C A 0013 VAL C
C A 0012 ASN C 3.317 C A 0013 VAL CB
C A 0012 ASN C 3.194 C A 0013 VAL CG2
C A 0012 ASN CG 3.760 C A 0013 VAL CG2
C A 0012 ASN CB 3.692 H A 0017 THR CG2
C A 0013 VAL C 2.456 C A 0014 SER CA
C A 0013 VAL C 3.492 C A 0014 SER C
C A 0013 VAL C 3.500 C A 0014 SER CB
C A 0014 SER C 2.463 H A 0015 THR CA
C A 0014 SER C 2.984 H A 0015 THR C
C A 0014 SER C 3.721 H A 0015 THR CB
H A 0015 THR C 2.447 H A 0016 THR CA
H A 0015 THR C 2.912 H A 0016 THR C
H A 0015 THR C 3.711 H A 0016 THR CB
H A 0016 THR C 2.447 H A 0017 THR CA
H A 0016 THR C 2.965 H A 0017 THR C
H A 0016 THR C 3.717 H A 0017 THR CB
H A 0016 THR C 3.781 H A 0020 HIS CD2
H A 0016 THR C 3.766 H A 0020 HIS CE1
H A 0017 THR C 2.444 H A 0018 VAL CA
H A 0017 THR C 3.007 H A 0018 VAL C
H A 0017 THR C 3.723 H A 0018 VAL CB
H A 0017 THR CG2 3.380 H A 0032 THR CG2
H A 0018 VAL C 2.447 H A 0019 SER CA
H A 0018 VAL C 2.983 H A 0019 SER C
H A 0018 VAL C 3.713 H A 0019 SER CB
H A 0018 VAL CG1 3.586 H A 0022 ILE CD1
H A 0019 SER C 2.451 H A 0020 HIS CA
H A 0019 SER C 2.968 H A 0020 HIS C
H A 0019 SER C 3.723 H A 0020 HIS CB
H A 0020 HIS C 2.449 H A 0021 VAL CA
H A 0020 HIS C 3.085 H A 0021 VAL C
H A 0020 HIS C 3.712 H A 0021 VAL CB
H A 0020 HIS CE1 3.650 C A 0026 ARG CZ
H A 0021 VAL C 2.447 H A 0022 ILE CA
H A 0021 VAL C 3.003 H A 0022 ILE C
H A 0021 VAL C 3.729 H A 0022 ILE CB
H A 0021 VAL CG2 3.532 C A 0028 VAL CG2
H A 0021 VAL CG1 3.589 H A 0037 TRP CE2
H A 0021 VAL CG1 3.521 H A 0037 TRP CZ2
H A 0022 ILE C 2.448 H A 0023 ASN CA
H A 0022 ILE C 3.038 H A 0023 ASN C
H A 0022 ILE C 3.711 H A 0023 ASN CB
H A 0023 ASN C 2.459 C A 0024 LYS CA
H A 0023 ASN C 3.034 C A 0024 LYS C
H A 0023 ASN C 3.004 C A 0024 LYS CB
H A 0023 ASN CG 3.611 C A 0025 THR CG2
C A 0024 LYS C 2.453 C A 0025 THR CA
C A 0024 LYS C 3.403 C A 0025 THR C
C A 0024 LYS C 3.555 C A 0025 THR CB
C A 0024 LYS C 3.764 C A 0025 THR CG2
C A 0025 THR C 2.441 C A 0026 ARG CA
C A 0025 THR C 3.108 C A 0026 ARG C
C A 0025 THR C 3.690 C A 0026 ARG CB
C A 0026 ARG C 2.450 C A 0027 PHE CA
C A 0026 ARG C 2.996 C A 0027 PHE C
C A 0026 ARG C 3.714 C A 0027 PHE CB
C A 0027 PHE C 2.451 C A 0028 VAL CA
C A 0027 PHE C 3.215 C A 0028 VAL C
C A 0027 PHE C 3.689 C A 0028 VAL CB
C A 0027 PHE CE2 3.515 H A 0033 ARG CZ
C A 0027 PHE CZ 3.493 H A 0033 ARG CZ
C A 0028 VAL C 2.436 C A 0029 ALA CA
C A 0028 VAL C 3.035 C A 0029 ALA C
C A 0028 VAL C 3.699 C A 0029 ALA CB
C A 0029 ALA C 2.441 H A 0030 GLU CA
C A 0029 ALA C 2.979 H A 0030 GLU C
C A 0029 ALA C 3.721 H A 0030 GLU CB
H A 0030 GLU C 2.442 H A 0031 GLU CA
H A 0030 GLU C 2.987 H A 0031 GLU C
H A 0030 GLU C 3.710 H A 0031 GLU CB
H A 0031 GLU C 2.443 H A 0032 THR CA
H A 0031 GLU C 3.024 H A 0032 THR C
H A 0031 GLU C 3.705 H A 0032 THR CB
H A 0032 THR C 2.446 H A 0033 ARG CA
H A 0032 THR C 2.953 H A 0033 ARG C
H A 0032 THR C 3.704 H A 0033 ARG CB
H A 0033 ARG C 2.443 H A 0034 ASN CA
H A 0033 ARG C 3.027 H A 0034 ASN C
H A 0033 ARG C 3.712 H A 0034 ASN CB
H A 0034 ASN C 2.449 H A 0035 ALA CA
H A 0034 ASN C 2.984 H A 0035 ALA C
H A 0034 ASN C 3.720 H A 0035 ALA CB
H A 0035 ALA C 2.447 H A 0036 VAL CA
H A 0035 ALA C 3.019 H A 0036 VAL C
H A 0035 ALA C 3.724 H A 0036 VAL CB
H A 0036 VAL C 2.447 H A 0037 TRP CA
H A 0036 VAL C 2.996 H A 0037 TRP C
H A 0036 VAL C 3.717 H A 0037 TRP CB
H A 0036 VAL CG1 3.749 H A 0040 ILE CD1
H A 0037 TRP C 2.439 H A 0038 ALA CA
H A 0037 TRP C 3.022 H A 0038 ALA C
H A 0037 TRP C 3.706 H A 0038 ALA CB
H A 0038 ALA C 2.455 H A 0039 ALA CA
H A 0038 ALA C 2.975 H A 0039 ALA C
H A 0038 ALA C 3.715 H A 0039 ALA CB
H A 0039 ALA C 2.457 H A 0040 ILE CA
H A 0039 ALA C 2.977 H A 0040 ILE C
H A 0039 ALA C 3.733 H A 0040 ILE CB
H A 0040 ILE C 2.443 H A 0041 LYS CA
H A 0040 ILE C 3.168 H A 0041 LYS C
H A 0040 ILE C 3.675 H A 0041 LYS CB
H A 0041 LYS C 2.442 H A 0042 GLU CA
H A 0041 LYS C 2.995 H A 0042 GLU C
H A 0041 LYS C 3.708 H A 0042 GLU CB
H A 0042 GLU C 2.447 C A 0043 LEU CA
H A 0042 GLU C 3.186 C A 0043 LEU C
H A 0042 GLU C 3.685 C A 0043 LEU CB
C A 0043 LEU C 2.461 C A 0044 HIS CA
C A 0043 LEU C 2.965 C A 0044 HIS C
C A 0043 LEU C 3.048 C A 0044 HIS CB
C A 0043 LEU C 3.463 C A 0044 HIS CG
C A 0044 HIS C 2.465 C A 0045 TYR CA
C A 0044 HIS C 2.880 C A 0045 TYR C
C A 0044 HIS C 3.691 C A 0045 TYR CB
C A 0045 TYR C 2.453 C A 0046 SER CA
C A 0045 TYR C 3.455 C A 0046 SER C
C A 0045 TYR C 3.520 C A 0046 SER CB
C A 0045 TYR CE2 3.679 C A 0047 PRO CB
C A 0045 TYR CE2 3.748 C A 0047 PRO CG
C A 0046 SER CA 2.892 C A 0047 PRO CD
C A 0046 SER C 2.455 C A 0047 PRO CA
C A 0046 SER C 3.110 C A 0047 PRO C
C A 0046 SER C 3.657 C A 0047 PRO CB
C A 0046 SER C 3.686 C A 0047 PRO CG
C A 0046 SER C 2.474 C A 0047 PRO CD
C A 0047 PRO C 2.442 C A 0048 SER CA
C A 0047 PRO C 2.953 C A 0048 SER C
C A 0047 PRO C 3.061 C A 0048 SER CB
C A 0048 SER C 2.450 C A 0049 ALA CA
C A 0048 SER C 3.693 C A 0049 ALA C
C A 0048 SER C 3.129 C A 0049 ALA CB
C A 0049 ALA C 2.451 C A 0050 VAL CA
C A 0049 ALA C 3.035 C A 0050 VAL C
C A 0049 ALA C 3.722 C A 0050 VAL CB
C A 0050 VAL C 2.448 C A 0051 ALA CA
C A 0050 VAL C 3.014 C A 0051 ALA C
C A 0050 VAL C 3.715 C A 0051 ALA CB
C A 0051 ALA C 2.447 C A 0052 ARG CA
C A 0051 ALA C 3.699 C A 0052 ARG C
C A 0051 ALA C 3.084 C A 0052 ARG CB
C A 0052 ARG C 2.447 C A 0053 SER CA
C A 0052 ARG C 3.701 C A 0053 SER C
C A 0052 ARG C 3.080 C A 0053 SER CB
C A 0053 SER C 2.449 C A 0054 LEU CA
C A 0053 SER C 3.696 C A 0054 LEU C
C A 0053 SER C 3.134 C A 0054 LEU CB
C A 0053 SER C 3.652 C A 0054 LEU CD2
C A 0054 LEU C 2.455 C A 0055 LYS CA
C A 0054 LEU C 3.008 C A 0055 LYS C
C A 0054 LEU C 3.013 C A 0055 LYS CB
C A 0055 LYS C 2.456 C A 0056 VAL CA
C A 0055 LYS C 3.630 C A 0056 VAL C
C A 0055 LYS C 3.312 C A 0056 VAL CB
C A 0055 LYS C 3.250 C A 0056 VAL CG1
CHARGE_ATTR 2.00 12.00 25
H A 0006 ASP OD1 7.316 H A 0005 LYS NZ
H A 0006 ASP OD2 8.698 H A 0005 LYS NZ
H A 0006 ASP OD1 5.403 H A 0009 LYS NZ
H A 0006 ASP OD2 5.451 H A 0009 LYS NZ
H A 0006 ASP OD1 11.03 H A 0010 ARG NH1
H A 0006 ASP OD2 10.01 H A 0010 ARG NH1
H A 0006 ASP OD2 11.80 H A 0010 ARG NH2
H A 0030 GLU OE1 11.74 C A 0024 LYS NZ
H A 0030 GLU OE1 2.742 H A 0033 ARG NH1
H A 0030 GLU OE1 5.012 H A 0033 ARG NH2
H A 0030 GLU OE2 2.811 H A 0033 ARG NH1
H A 0030 GLU OE2 4.662 H A 0033 ARG NH2
H A 0031 GLU OE1 10.66 H A 0033 ARG NH1
H A 0031 GLU OE1 11.61 H A 0033 ARG NH2
H A 0031 GLU OE2 11.59 H A 0033 ARG NH1
H A 0042 GLU OE1 4.448 H A 0010 ARG NH1
H A 0042 GLU OE1 2.681 H A 0010 ARG NH2
H A 0042 GLU OE2 6.435 H A 0010 ARG NH1
H A 0042 GLU OE2 4.328 H A 0010 ARG NH2
H A 0042 GLU OE1 10.27 H A 0041 LYS NZ
H A 0042 GLU OE2 8.922 H A 0041 LYS NZ
H A 0042 GLU OE1 8.532 C A 0044 HIS ND1
H A 0042 GLU OE1 9.213 C A 0044 HIS NE2
H A 0042 GLU OE2 9.040 C A 0044 HIS ND1
H A 0042 GLU OE2 9.807 C A 0044 HIS NE2
CHARGE_REPU 2.00 12.00 24
H A 0005 LYS NZ 7.748 H A 0009 LYS NZ
H A 0009 LYS NZ 11.97 H A 0010 ARG NH1
H A 0010 ARG NH1 10.58 C A 0044 HIS ND1
H A 0010 ARG NH1 10.65 C A 0044 HIS NE2
H A 0010 ARG NH2 9.778 C A 0044 HIS ND1
H A 0010 ARG NH2 9.924 C A 0044 HIS NE2
H A 0020 HIS ND1 4.294 C A 0026 ARG NH1
H A 0020 HIS ND1 4.925 C A 0026 ARG NH2
H A 0020 HIS NE2 3.523 C A 0026 ARG NH1
H A 0020 HIS NE2 5.157 C A 0026 ARG NH2
H A 0020 HIS ND1 11.02 H A 0033 ARG NH1
H A 0020 HIS ND1 9.141 H A 0033 ARG NH2
H A 0020 HIS NE2 10.98 H A 0033 ARG NH2
C A 0024 LYS NZ 10.50 H A 0033 ARG NH1
C A 0024 LYS NZ 9.447 H A 0033 ARG NH2
C A 0026 ARG NH2 11.71 H A 0033 ARG NH2
H A 0030 GLU OE1 10.75 H A 0031 GLU OE1
H A 0030 GLU OE1 11.21 H A 0031 GLU OE2
H A 0030 GLU OE2 10.31 H A 0031 GLU OE1
H A 0030 GLU OE2 11.07 H A 0031 GLU OE2
H A 0041 LYS NZ 8.235 C A 0044 HIS ND1
H A 0041 LYS NZ 9.569 C A 0044 HIS NE2
H A 0041 LYS NZ 11.89 C A 0052 ARG NH1
H A 0041 LYS NZ 9.687 C A 0052 ARG NH2
HB_MM 2.00 3.20 96
C A 0002 ALA N 2.250 C A 0001 MET O
C A 0003 THR N 3.020 C A 0001 MET O
C A 0003 THR N 2.263 C A 0002 ALA O
H A 0004 ILE N 2.262 C A 0003 THR O
H A 0005 LYS N 3.088 C A 0003 THR O
H A 0005 LYS N 2.255 H A 0004 ILE O
H A 0006 ASP N 2.254 H A 0005 LYS O
H A 0007 VAL N 3.125 C A 0003 THR O
H A 0007 VAL N 2.262 H A 0006 ASP O
H A 0008 ALA N 2.844 H A 0004 ILE O
H A 0008 ALA N 2.247 H A 0007 VAL O
H A 0009 LYS N 3.052 H A 0006 ASP O
H A 0009 LYS N 2.253 H A 0008 ALA O
H A 0010 ARG N 2.965 H A 0006 ASP O
H A 0010 ARG N 2.256 H A 0009 LYS O
H A 0011 ALA N 2.749 H A 0007 VAL O
H A 0011 ALA N 2.254 H A 0010 ARG O
C A 0012 ASN N 2.891 H A 0008 ALA O
C A 0012 ASN N 2.258 H A 0011 ALA O
C A 0013 VAL N 2.262 C A 0012 ASN O
C A 0014 SER N 2.263 C A 0013 VAL O
H A 0015 THR N 2.270 C A 0014 SER O
H A 0016 THR N 2.959 C A 0014 SER O
H A 0016 THR N 2.253 H A 0015 THR O
H A 0017 THR N 3.036 C A 0014 SER O
H A 0017 THR N 2.254 H A 0016 THR O
H A 0018 VAL N 2.921 H A 0015 THR O
H A 0018 VAL N 2.254 H A 0017 THR O
H A 0019 SER N 2.854 H A 0015 THR O
H A 0019 SER N 3.096 H A 0016 THR O
H A 0019 SER N 2.256 H A 0018 VAL O
H A 0020 HIS N 2.883 H A 0016 THR O
H A 0020 HIS N 2.250 H A 0019 SER O
H A 0021 VAL N 3.123 H A 0018 VAL O
H A 0021 VAL N 2.258 H A 0020 HIS O
H A 0022 ILE N 2.957 H A 0018 VAL O
H A 0022 ILE N 2.255 H A 0021 VAL O
H A 0023 ASN N 2.791 H A 0019 SER O
H A 0023 ASN N 2.254 H A 0022 ILE O
C A 0024 LYS N 2.879 H A 0020 HIS O
C A 0024 LYS N 3.082 H A 0021 VAL O
C A 0024 LYS N 2.260 H A 0023 ASN O
C A 0025 THR N 3.173 H A 0020 HIS O
C A 0025 THR N 2.259 C A 0024 LYS O
C A 0026 ARG N 2.257 C A 0025 THR O
C A 0027 PHE N 2.929 C A 0025 THR O
C A 0027 PHE N 2.256 C A 0026 ARG O
C A 0028 VAL N 2.927 C A 0026 ARG O
C A 0028 VAL N 2.259 C A 0027 PHE O
C A 0029 ALA N 2.258 C A 0028 VAL O
H A 0030 GLU N 2.259 C A 0029 ALA O
H A 0031 GLU N 3.119 C A 0029 ALA O
H A 0031 GLU N 2.252 H A 0030 GLU O
H A 0032 THR N 3.141 C A 0029 ALA O
H A 0032 THR N 2.257 H A 0031 GLU O
H A 0033 ARG N 3.006 C A 0029 ALA O
H A 0033 ARG N 2.255 H A 0032 THR O
H A 0034 ASN N 2.834 H A 0030 GLU O
H A 0034 ASN N 2.256 H A 0033 ARG O
H A 0035 ALA N 2.883 H A 0031 GLU O
H A 0035 ALA N 3.132 H A 0032 THR O
H A 0035 ALA N 2.253 H A 0034 ASN O
H A 0036 VAL N 2.925 H A 0032 THR O
H A 0036 VAL N 2.254 H A 0035 ALA O
H A 0037 TRP N 2.255 H A 0036 VAL O
H A 0038 ALA N 2.794 H A 0034 ASN O
H A 0038 ALA N 2.253 H A 0037 TRP O
H A 0039 ALA N 2.863 H A 0035 ALA O
H A 0039 ALA N 2.253 H A 0038 ALA O
H A 0040 ILE N 2.958 H A 0036 VAL O
H A 0040 ILE N 2.260 H A 0039 ALA O
H A 0041 LYS N 3.012 H A 0038 ALA O
H A 0041 LYS N 2.255 H A 0040 ILE O
H A 0042 GLU N 2.811 H A 0038 ALA O
H A 0042 GLU N 2.255 H A 0041 LYS O
C A 0043 LEU N 2.931 H A 0039 ALA O
C A 0043 LEU N 2.253 H A 0042 GLU O
C A 0044 HIS N 2.936 H A 0041 LYS O
C A 0044 HIS N 2.261 C A 0043 LEU O
C A 0045 TYR N 2.975 H A 0040 ILE O
C A 0045 TYR N 2.262 C A 0044 HIS O
C A 0046 SER N 2.958 C A 0002 ALA O
C A 0046 SER N 3.195 C A 0044 HIS O
C A 0046 SER N 2.264 C A 0045 TYR O
C A 0047 PRO N 2.263 C A 0046 SER O
C A 0048 SER N 2.735 C A 0046 SER O
C A 0048 SER N 2.249 C A 0047 PRO O
C A 0049 ALA N 3.186 C A 0047 PRO O
C A 0049 ALA N 2.261 C A 0048 SER O
C A 0050 VAL N 2.257 C A 0049 ALA O
C A 0051 ALA N 2.257 C A 0050 VAL O
C A 0052 ARG N 2.257 C A 0051 ALA O
C A 0053 SER N 2.250 C A 0052 ARG O
C A 0054 LEU N 2.258 C A 0053 SER O
C A 0055 LYS N 2.262 C A 0054 LEU O
C A 0056 VAL N 2.259 C A 0055 LYS O
HB_MS 2.00 3.20 12
C A 0001 MET N 2.743 H A 0006 ASP OD2
H A 0005 LYS O 2.901 H A 0009 LYS NZ
H A 0015 THR O 3.055 H A 0019 SER OG
H A 0017 THR N 2.947 H A 0016 THR OG1
C A 0026 ARG N 2.805 C A 0025 THR OG1
C A 0028 VAL O 3.032 H A 0033 ARG NH1
C A 0028 VAL O 2.752 H A 0033 ARG NH2
H A 0041 LYS O 2.794 C A 0044 HIS ND1
H A 0042 GLU O 3.164 C A 0044 HIS ND1
C A 0049 ALA N 3.190 C A 0046 SER OG
C A 0049 ALA O 3.079 C A 0046 SER OG
C A 0050 VAL N 3.146 C A 0046 SER OG
HB_SS 2.00 3.20 2
H A 0006 ASP OD1 2.676 C A 0003 THR OG1
C A 0012 ASN ND2 2.885 H A 0017 THR OG1
AROMATIC 0.00 8.00 2
C A 0026 ARG 4.223 H A 0020 HIS
H A 0033 ARG 3.076 C A 0027 PHE