Complet list of 1ce4 con file
Complete list of 1ce4.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 138
C A 0001 CYS C 2.485 C A 0002 THR CA
C A 0001 CYS C 3.745 C A 0002 THR C
C A 0001 CYS C 3.243 C A 0002 THR CB
C A 0001 CYS CB 3.617 C A 0035 CYS CB
C A 0002 THR C 2.486 C A 0003 ARG CA
C A 0002 THR C 3.527 C A 0003 ARG C
C A 0002 THR C 3.522 C A 0003 ARG CB
C A 0002 THR C 3.219 C A 0004 PRO CD
C A 0002 THR CB 3.676 C A 0004 PRO CD
C A 0002 THR CG2 3.724 C A 0004 PRO CD
C A 0002 THR CB 3.604 H A 0032 GLN CG
C A 0002 THR CB 3.653 H A 0032 GLN CD
C A 0003 ARG CA 3.192 C A 0004 PRO CD
C A 0003 ARG C 2.479 C A 0004 PRO CA
C A 0003 ARG C 3.123 C A 0004 PRO C
C A 0003 ARG C 3.648 C A 0004 PRO CB
C A 0003 ARG C 3.741 C A 0004 PRO CG
C A 0003 ARG C 2.535 C A 0004 PRO CD
C A 0003 ARG CG 3.766 H A 0006 ASN CG
C A 0003 ARG CZ 3.782 H A 0007 ASN CG
C A 0004 PRO C 2.509 H A 0005 ASN CA
C A 0004 PRO C 3.070 H A 0005 ASN C
C A 0004 PRO C 3.372 H A 0005 ASN CB
C A 0004 PRO C 3.318 H A 0005 ASN CG
C A 0004 PRO CA 3.643 C A 0009 ARG CD
C A 0004 PRO CG 3.707 H A 0029 ASP CG
H A 0005 ASN C 2.529 H A 0006 ASN CA
H A 0005 ASN C 3.176 H A 0006 ASN C
H A 0005 ASN C 3.770 H A 0006 ASN CB
H A 0005 ASN CG 3.687 C A 0033 ALA CB
H A 0006 ASN C 2.532 H A 0007 ASN CA
H A 0006 ASN C 3.737 H A 0007 ASN C
H A 0006 ASN C 3.395 H A 0007 ASN CB
H A 0006 ASN C 3.338 H A 0007 ASN CG
H A 0007 ASN C 2.537 C A 0008 THR CA
H A 0007 ASN C 3.049 C A 0008 THR C
H A 0007 ASN C 3.372 C A 0008 THR CB
C A 0008 THR C 2.505 C A 0009 ARG CA
C A 0008 THR C 3.193 C A 0009 ARG C
C A 0008 THR C 3.731 C A 0009 ARG CB
C A 0008 THR CG2 3.773 C A 0011 SER CB
C A 0009 ARG C 2.472 C A 0010 LYS CA
C A 0009 ARG C 3.145 C A 0010 LYS C
C A 0009 ARG C 3.726 C A 0010 LYS CB
C A 0010 LYS C 2.554 C A 0011 SER CA
C A 0010 LYS C 3.007 C A 0011 SER CB
C A 0011 SER C 2.503 C A 0012 ILE CA
C A 0011 SER C 3.650 C A 0012 ILE C
C A 0011 SER C 3.499 C A 0012 ILE CB
C A 0011 SER C 3.476 C A 0012 ILE CG1
C A 0012 ILE C 2.517 C A 0013 HIS CA
C A 0012 ILE C 3.133 C A 0013 HIS C
C A 0012 ILE C 3.710 C A 0013 HIS CB
C A 0013 HIS CA 3.793 C A 0014 ILE CA
C A 0013 HIS C 2.472 C A 0014 ILE CA
C A 0013 HIS C 3.184 C A 0014 ILE C
C A 0013 HIS C 3.689 C A 0014 ILE CB
C A 0013 HIS C 3.789 C A 0014 ILE CD1
C A 0013 HIS CG 3.290 C A 0014 ILE CD1
C A 0013 HIS CD2 3.746 C A 0014 ILE CD1
C A 0013 HIS CE1 3.714 C A 0014 ILE CD1
C A 0014 ILE C 2.490 C A 0015 GLY CA
C A 0014 ILE C 3.703 C A 0015 GLY C
C A 0014 ILE CG2 3.693 C A 0017 GLY C
C A 0015 GLY CA 2.964 C A 0016 PRO CD
C A 0015 GLY C 2.486 C A 0016 PRO CA
C A 0015 GLY C 3.059 C A 0016 PRO C
C A 0015 GLY C 3.706 C A 0016 PRO CB
C A 0015 GLY C 3.669 C A 0016 PRO CG
C A 0015 GLY C 2.502 C A 0016 PRO CD
C A 0016 PRO C 2.490 C A 0017 GLY CA
C A 0016 PRO C 3.313 C A 0017 GLY C
C A 0017 GLY C 2.530 H A 0018 ARG CA
C A 0017 GLY C 3.047 H A 0018 ARG C
C A 0017 GLY C 3.787 H A 0018 ARG CB
H A 0018 ARG C 2.461 H A 0019 ALA CA
H A 0018 ARG C 3.174 H A 0019 ALA C
H A 0018 ARG C 3.706 H A 0019 ALA CB
H A 0018 ARG C 3.756 H A 0021 TYR CE1
H A 0018 ARG C 3.774 H A 0021 TYR CE2
H A 0018 ARG C 3.597 H A 0021 TYR CZ
H A 0019 ALA C 2.483 H A 0020 PHE CA
H A 0019 ALA C 3.239 H A 0020 PHE C
H A 0019 ALA C 3.731 H A 0020 PHE CB
H A 0019 ALA CA 3.625 H A 0021 TYR CE1
H A 0020 PHE C 2.451 H A 0021 TYR CA
H A 0020 PHE C 3.124 H A 0021 TYR C
H A 0020 PHE C 3.794 H A 0021 TYR CB
H A 0021 TYR C 2.502 C A 0022 THR CA
H A 0021 TYR C 3.325 C A 0022 THR C
H A 0021 TYR C 3.059 C A 0022 THR CB
H A 0021 TYR C 3.102 C A 0022 THR CG2
H A 0021 TYR CD1 3.776 H A 0026 ILE CG1
H A 0021 TYR CD1 3.656 H A 0026 ILE CG2
H A 0021 TYR CE1 3.440 H A 0026 ILE CG2
H A 0021 TYR CE1 3.793 H A 0026 ILE CD1
C A 0022 THR C 2.516 H A 0023 THR CA
C A 0022 THR C 3.035 H A 0023 THR C
C A 0022 THR C 3.765 H A 0023 THR CB
C A 0022 THR C 3.432 H A 0026 ILE CG1
H A 0023 THR C 2.468 H A 0024 GLY CA
H A 0023 THR C 2.964 H A 0024 GLY C
H A 0023 THR CA 3.596 H A 0026 ILE CG1
H A 0023 THR CA 3.601 H A 0026 ILE CD1
H A 0024 GLY C 2.477 H A 0025 GLU CA
H A 0024 GLY C 3.199 H A 0025 GLU C
H A 0024 GLY C 3.713 H A 0025 GLU CB
H A 0025 GLU C 2.490 H A 0026 ILE CA
H A 0025 GLU C 3.046 H A 0026 ILE C
H A 0025 GLU C 3.786 H A 0026 ILE CB
H A 0026 ILE C 2.501 H A 0027 ILE CA
H A 0026 ILE C 3.096 H A 0027 ILE C
H A 0026 ILE C 3.770 H A 0027 ILE CB
H A 0027 ILE C 2.483 H A 0028 GLY CA
H A 0027 ILE C 3.026 H A 0028 GLY C
H A 0028 GLY C 2.496 H A 0029 ASP CA
H A 0028 GLY C 3.071 H A 0029 ASP C
H A 0028 GLY C 3.734 H A 0029 ASP CB
H A 0029 ASP C 2.441 H A 0030 ILE CA
H A 0029 ASP C 3.084 H A 0030 ILE C
H A 0029 ASP C 3.689 H A 0030 ILE CB
H A 0030 ILE C 2.478 H A 0031 ARG CA
H A 0030 ILE C 3.018 H A 0031 ARG C
H A 0030 ILE CG2 3.647 H A 0031 ARG CZ
H A 0030 ILE C 3.711 C A 0034 HIS CE1
H A 0030 ILE CG2 3.756 C A 0034 HIS CE1
H A 0031 ARG C 2.511 H A 0032 GLN CA
H A 0031 ARG C 3.067 H A 0032 GLN C
H A 0031 ARG C 3.699 H A 0032 GLN CB
H A 0032 GLN C 2.487 C A 0033 ALA CA
H A 0032 GLN C 3.290 C A 0033 ALA C
H A 0032 GLN C 3.710 C A 0033 ALA CB
C A 0033 ALA C 2.480 C A 0034 HIS CA
C A 0033 ALA C 3.298 C A 0034 HIS C
C A 0033 ALA C 3.687 C A 0034 HIS CB
C A 0034 HIS C 2.490 C A 0035 CYS CA
C A 0034 HIS C 3.334 C A 0035 CYS C
C A 0034 HIS C 3.641 C A 0035 CYS CB
CHARGE_ATTR 2.00 12.00 27
H A 0025 GLU OE1 7.764 C A 0010 LYS NZ
H A 0025 GLU OE2 9.240 C A 0010 LYS NZ
H A 0025 GLU OE1 5.058 C A 0013 HIS ND1
H A 0025 GLU OE1 3.536 C A 0013 HIS NE2
H A 0025 GLU OE2 4.380 C A 0013 HIS ND1
H A 0025 GLU OE2 2.812 C A 0013 HIS NE2
H A 0029 ASP OD1 10.16 C A 0003 ARG NH1
H A 0029 ASP OD1 11.28 C A 0003 ARG NH2
H A 0029 ASP OD2 11.96 C A 0003 ARG NH1
H A 0029 ASP OD1 9.063 C A 0009 ARG NH1
H A 0029 ASP OD1 10.52 C A 0009 ARG NH2
H A 0029 ASP OD2 10.41 C A 0009 ARG NH1
H A 0029 ASP OD2 11.67 C A 0009 ARG NH2
H A 0029 ASP OD1 9.905 C A 0010 LYS NZ
H A 0029 ASP OD2 8.963 C A 0010 LYS NZ
H A 0029 ASP OD1 11.46 C A 0013 HIS ND1
H A 0029 ASP OD1 9.637 C A 0013 HIS NE2
H A 0029 ASP OD2 10.20 C A 0013 HIS ND1
H A 0029 ASP OD2 8.372 C A 0013 HIS NE2
H A 0029 ASP OD1 11.86 H A 0031 ARG NH1
H A 0029 ASP OD1 10.07 H A 0031 ARG NH2
H A 0029 ASP OD2 11.38 H A 0031 ARG NH1
H A 0029 ASP OD2 9.633 H A 0031 ARG NH2
H A 0029 ASP OD1 11.40 C A 0034 HIS ND1
H A 0029 ASP OD1 11.00 C A 0034 HIS NE2
H A 0029 ASP OD2 11.53 C A 0034 HIS ND1
H A 0029 ASP OD2 11.41 C A 0034 HIS NE2
CHARGE_REPU 2.00 12.00 16
C A 0003 ARG NH1 3.179 C A 0009 ARG NH1
C A 0003 ARG NH1 4.433 C A 0009 ARG NH2
C A 0003 ARG NH2 5.367 C A 0009 ARG NH1
C A 0003 ARG NH2 6.627 C A 0009 ARG NH2
C A 0009 ARG NH1 10.31 C A 0010 LYS NZ
C A 0009 ARG NH2 9.856 C A 0010 LYS NZ
C A 0010 LYS NZ 10.38 C A 0013 HIS ND1
C A 0010 LYS NZ 10.33 C A 0013 HIS NE2
H A 0025 GLU OE1 6.713 H A 0029 ASP OD1
H A 0025 GLU OE1 5.212 H A 0029 ASP OD2
H A 0025 GLU OE2 8.394 H A 0029 ASP OD1
H A 0025 GLU OE2 6.636 H A 0029 ASP OD2
H A 0031 ARG NH1 4.760 C A 0034 HIS ND1
H A 0031 ARG NH1 4.839 C A 0034 HIS NE2
H A 0031 ARG NH2 5.641 C A 0034 HIS ND1
H A 0031 ARG NH2 5.141 C A 0034 HIS NE2
HB_MM 2.00 3.20 61
C A 0002 THR N 2.247 C A 0001 CYS O
C A 0002 THR N 2.816 H A 0032 GLN O
C A 0003 ARG N 2.256 C A 0002 THR O
C A 0004 PRO N 2.237 C A 0003 ARG O
H A 0005 ASN N 2.253 C A 0004 PRO O
H A 0006 ASN N 2.740 C A 0004 PRO O
H A 0006 ASN N 2.249 H A 0005 ASN O
H A 0007 ASN N 2.783 C A 0004 PRO O
H A 0007 ASN N 2.822 H A 0005 ASN O
H A 0007 ASN N 2.242 H A 0006 ASN O
C A 0008 THR N 2.827 H A 0005 ASN O
C A 0008 THR N 2.247 H A 0007 ASN O
C A 0009 ARG N 2.244 C A 0008 THR O
C A 0010 LYS N 2.236 C A 0009 ARG O
C A 0011 SER N 2.822 C A 0009 ARG O
C A 0011 SER N 2.272 C A 0010 LYS O
C A 0012 ILE N 2.244 C A 0011 SER O
C A 0013 HIS N 2.241 C A 0012 ILE O
C A 0014 ILE N 2.251 C A 0013 HIS O
C A 0015 GLY N 2.220 C A 0014 ILE O
C A 0016 PRO N 2.250 C A 0015 GLY O
C A 0017 GLY N 2.252 C A 0016 PRO O
H A 0018 ARG N 3.007 C A 0015 GLY O
H A 0018 ARG N 2.245 C A 0017 GLY O
H A 0019 ALA N 2.957 C A 0017 GLY O
H A 0019 ALA N 2.233 H A 0018 ARG O
H A 0020 PHE N 2.800 C A 0017 GLY O
H A 0020 PHE N 2.982 H A 0018 ARG O
H A 0020 PHE N 2.243 H A 0019 ALA O
H A 0021 TYR N 3.005 H A 0018 ARG O
H A 0021 TYR N 2.249 H A 0020 PHE O
C A 0022 THR N 2.242 H A 0021 TYR O
H A 0023 THR N 2.255 C A 0022 THR O
H A 0024 GLY N 2.245 H A 0023 THR O
H A 0025 GLU N 2.765 C A 0022 THR O
H A 0025 GLU N 2.952 H A 0023 THR O
H A 0025 GLU N 2.248 H A 0024 GLY O
H A 0026 ILE N 3.099 C A 0022 THR O
H A 0026 ILE N 2.248 H A 0025 GLU O
H A 0027 ILE N 2.800 H A 0023 THR O
H A 0027 ILE N 2.238 H A 0026 ILE O
H A 0028 GLY N 2.853 H A 0024 GLY O
H A 0028 GLY N 3.155 H A 0025 GLU O
H A 0028 GLY N 2.262 H A 0027 ILE O
H A 0029 ASP N 2.778 H A 0025 GLU O
H A 0029 ASP N 2.252 H A 0028 GLY O
H A 0030 ILE N 2.820 H A 0026 ILE O
H A 0030 ILE N 3.189 H A 0027 ILE O
H A 0030 ILE N 2.253 H A 0029 ASP O
H A 0031 ARG N 2.702 H A 0027 ILE O
H A 0031 ARG N 3.146 H A 0028 GLY O
H A 0031 ARG N 2.239 H A 0030 ILE O
H A 0032 GLN N 2.861 H A 0028 GLY O
H A 0032 GLN N 2.255 H A 0031 ARG O
C A 0033 ALA N 3.047 H A 0029 ASP O
C A 0033 ALA N 3.112 H A 0031 ARG O
C A 0033 ALA N 2.249 H A 0032 GLN O
C A 0034 HIS N 2.912 H A 0031 ARG O
C A 0034 HIS N 2.229 C A 0033 ALA O
C A 0035 CYS N 2.861 C A 0033 ALA O
C A 0035 CYS N 2.248 C A 0034 HIS O
HB_MS 2.00 3.20 13
C A 0001 CYS O 2.661 C A 0002 THR OG1
C A 0002 THR O 2.914 H A 0005 ASN ND2
C A 0003 ARG O 3.151 H A 0007 ASN ND2
C A 0003 ARG O 2.749 C A 0009 ARG NH1
C A 0004 PRO O 2.840 H A 0007 ASN ND2
H A 0005 ASN O 2.741 C A 0008 THR OG1
H A 0005 ASN N 2.897 H A 0029 ASP OD1
H A 0006 ASN N 2.786 H A 0005 ASN OD1
C A 0016 PRO O 2.733 H A 0018 ARG NH1
H A 0021 TYR O 2.688 C A 0022 THR OG1
H A 0024 GLY N 2.947 H A 0023 THR OG1
H A 0029 ASP O 2.823 H A 0005 ASN ND2
H A 0030 ILE O 3.120 C A 0034 HIS NE2
HB_SS 2.00 3.20 6
C A 0003 ARG NH2 3.054 H A 0006 ASN OD1
C A 0003 ARG NH1 2.700 H A 0007 ASN OD1
C A 0003 ARG NH2 2.733 H A 0007 ASN OD1
H A 0006 ASN ND2 2.694 H A 0005 ASN OD1
H A 0007 ASN ND2 2.698 H A 0006 ASN OD1
H A 0032 GLN NE2 2.774 C A 0002 THR OG1
AROMATIC 0.00 8.00 1
H A 0031 ARG 5.300 C A 0034 HIS
SS_BOND 1.50 2.80 1
C A 0001 CYS SG 2.124 C A 0035 CYS SG