Complet list of 1aqr con file
Complete list of 1aqr.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 151
C A 0001 GLN C 2.423 C A 0002 ASN CA
C A 0001 GLN C 3.375 C A 0002 ASN C
C A 0001 GLN C 3.500 C A 0002 ASN CB
C A 0002 ASN C 2.423 C A 0003 GLU CA
C A 0002 ASN C 3.634 C A 0003 GLU C
C A 0002 ASN C 3.187 C A 0003 GLU CB
C A 0002 ASN C 3.420 C A 0003 GLU CG
C A 0003 GLU C 2.424 C A 0004 GLY CA
C A 0003 GLU C 3.582 C A 0004 GLY C
C A 0004 GLY CA 3.417 C A 0005 HIS CD2
C A 0004 GLY C 2.419 C A 0005 HIS CA
C A 0004 GLY C 3.661 C A 0005 HIS C
C A 0004 GLY C 3.099 C A 0005 HIS CB
C A 0004 GLY C 3.110 C A 0005 HIS CG
C A 0004 GLY C 2.888 C A 0005 HIS CD2
C A 0005 HIS C 2.414 C A 0006 GLU CA
C A 0005 HIS C 3.666 C A 0006 GLU C
C A 0005 HIS C 3.049 C A 0006 GLU CB
C A 0005 HIS C 3.317 C A 0006 GLU CG
C A 0005 HIS C 3.513 C A 0006 GLU CD
C A 0005 HIS CE1 3.718 C A 0024 CYS C
C A 0005 HIS CE1 3.798 C A 0026 CYS C
C A 0006 GLU CA 3.796 C A 0007 CYS CA
C A 0006 GLU C 2.397 C A 0007 CYS CA
C A 0006 GLU C 3.144 C A 0007 CYS C
C A 0006 GLU C 3.593 C A 0007 CYS CB
C A 0007 CYS CA 3.761 C A 0008 GLN CA
C A 0007 CYS C 2.381 C A 0008 GLN CA
C A 0007 CYS C 3.050 C A 0008 GLN C
C A 0007 CYS C 3.586 C A 0008 GLN CB
C A 0007 CYS CB 3.649 H A 0021 GLN CA
C A 0007 CYS CB 3.227 C A 0024 CYS CB
C A 0008 GLN C 2.435 C A 0009 CYS CA
C A 0008 GLN C 2.959 C A 0009 CYS C
C A 0008 GLN C 3.611 C A 0009 CYS CB
C A 0009 CYS CA 3.775 C A 0010 GLN CA
C A 0009 CYS C 2.417 C A 0010 GLN CA
C A 0009 CYS C 3.382 C A 0010 GLN C
C A 0009 CYS C 3.448 C A 0010 GLN CB
C A 0009 CYS C 3.459 C A 0010 GLN CG
C A 0009 CYS C 3.717 C A 0014 CYS CB
C A 0009 CYS CB 3.142 C A 0014 CYS CB
C A 0010 GLN C 2.427 C A 0011 CYS CA
C A 0010 GLN C 2.947 C A 0011 CYS C
C A 0010 GLN C 3.617 C A 0011 CYS CB
C A 0010 GLN CA 3.724 C A 0015 LYS CG
C A 0011 CYS C 2.422 C A 0012 GLY CA
C A 0011 CYS C 3.281 C A 0012 GLY C
C A 0011 CYS CB 3.741 C A 0014 CYS CB
C A 0011 CYS CA 3.757 C A 0033 ASP CG
C A 0012 GLY C 2.420 C A 0013 SER CA
C A 0012 GLY C 3.339 C A 0013 SER C
C A 0012 GLY C 3.517 C A 0013 SER CB
C A 0013 SER CA 3.800 C A 0014 CYS CA
C A 0013 SER C 2.412 C A 0014 CYS CA
C A 0013 SER C 3.320 C A 0014 CYS C
C A 0013 SER C 3.475 C A 0014 CYS CB
C A 0014 CYS CA 3.772 C A 0015 LYS CA
C A 0014 CYS C 2.416 C A 0015 LYS CA
C A 0014 CYS C 3.088 C A 0015 LYS C
C A 0014 CYS C 3.611 C A 0015 LYS CB
C A 0015 LYS C 2.425 C A 0016 ASN CA
C A 0015 LYS C 3.279 C A 0016 ASN C
C A 0015 LYS C 3.561 C A 0016 ASN CB
C A 0016 ASN C 2.423 H A 0017 ASN CA
C A 0016 ASN C 3.233 H A 0017 ASN C
C A 0016 ASN C 3.583 H A 0017 ASN CB
H A 0017 ASN C 2.420 H A 0018 GLU CA
H A 0017 ASN C 3.194 H A 0018 GLU C
H A 0017 ASN C 3.595 H A 0018 GLU CB
H A 0018 GLU C 2.420 H A 0019 GLN CA
H A 0018 GLU C 3.089 H A 0019 GLN C
H A 0018 GLU C 3.627 H A 0019 GLN CB
H A 0018 GLU CA 3.248 H A 0021 GLN CG
H A 0018 GLU C 3.475 H A 0021 GLN CG
H A 0018 GLU CB 3.618 H A 0021 GLN CG
H A 0018 GLU CG 3.616 H A 0021 GLN CG
H A 0019 GLN C 2.417 H A 0020 CYS CA
H A 0019 GLN C 3.467 H A 0020 CYS C
H A 0019 GLN C 3.395 H A 0020 CYS CB
H A 0020 CYS C 2.422 H A 0021 GLN CA
H A 0020 CYS C 3.112 H A 0021 GLN C
H A 0020 CYS C 3.627 H A 0021 GLN CB
H A 0021 GLN C 2.421 C A 0022 LYS CA
H A 0021 GLN C 3.524 C A 0022 LYS C
H A 0021 GLN C 3.350 C A 0022 LYS CB
H A 0021 GLN C 3.301 C A 0022 LYS CG
C A 0022 LYS C 2.422 C A 0023 SER CA
C A 0022 LYS C 3.678 C A 0023 SER C
C A 0022 LYS C 3.059 C A 0023 SER CB
C A 0023 SER C 2.413 C A 0024 CYS CA
C A 0023 SER C 3.091 C A 0024 CYS C
C A 0023 SER C 3.580 C A 0024 CYS CB
C A 0024 CYS C 2.419 C A 0025 SER CA
C A 0024 CYS C 3.217 C A 0025 SER C
C A 0024 CYS C 3.590 C A 0025 SER CB
C A 0025 SER C 2.415 C A 0026 CYS CA
C A 0025 SER C 3.484 C A 0026 CYS C
C A 0025 SER C 3.378 C A 0026 CYS CB
C A 0026 CYS CA 3.798 C A 0027 PRO CA
C A 0026 CYS CA 2.841 C A 0027 PRO CD
C A 0026 CYS C 2.426 C A 0027 PRO CA
C A 0026 CYS C 3.168 C A 0027 PRO C
C A 0026 CYS C 3.582 C A 0027 PRO CB
C A 0026 CYS C 3.628 C A 0027 PRO CG
C A 0026 CYS C 2.478 C A 0027 PRO CD
C A 0026 CYS CB 3.530 C A 0027 PRO CD
C A 0027 PRO C 2.415 C A 0028 THR CA
C A 0027 PRO C 3.220 C A 0028 THR C
C A 0027 PRO C 3.583 C A 0028 THR CB
C A 0028 THR CA 3.791 C A 0029 GLY CA
C A 0028 THR C 2.419 C A 0029 GLY CA
C A 0028 THR C 3.543 C A 0029 GLY C
C A 0029 GLY C 2.430 C A 0030 CYS CA
C A 0029 GLY C 3.221 C A 0030 CYS C
C A 0029 GLY C 3.582 C A 0030 CYS CB
C A 0030 CYS C 2.419 C A 0031 ASN CA
C A 0030 CYS C 3.319 C A 0031 ASN C
C A 0030 CYS C 3.532 C A 0031 ASN CB
C A 0031 ASN C 2.426 C A 0032 SER CA
C A 0031 ASN C 3.357 C A 0032 SER C
C A 0031 ASN C 3.516 C A 0032 SER CB
C A 0032 SER C 2.423 C A 0033 ASP CA
C A 0032 SER C 3.271 C A 0033 ASP C
C A 0032 SER C 3.567 C A 0033 ASP CB
C A 0033 ASP C 2.420 C A 0034 ASP CA
C A 0033 ASP C 3.551 C A 0034 ASP C
C A 0033 ASP C 3.297 C A 0034 ASP CB
C A 0034 ASP CA 3.788 C A 0035 LYS CA
C A 0034 ASP C 2.423 C A 0035 LYS CA
C A 0034 ASP C 3.621 C A 0035 LYS C
C A 0034 ASP C 3.079 C A 0035 LYS CB
C A 0035 LYS CA 3.778 C A 0036 CYS CA
C A 0035 LYS C 2.421 C A 0036 CYS CA
C A 0035 LYS C 3.406 C A 0036 CYS C
C A 0035 LYS C 3.452 C A 0036 CYS CB
C A 0035 LYS C 3.622 C A 0037 PRO CD
C A 0036 CYS CA 2.850 C A 0037 PRO CD
C A 0036 CYS C 2.430 C A 0037 PRO CA
C A 0036 CYS C 3.180 C A 0037 PRO C
C A 0036 CYS C 3.583 C A 0037 PRO CB
C A 0036 CYS C 3.631 C A 0037 PRO CG
C A 0036 CYS C 2.481 C A 0037 PRO CD
C A 0037 PRO C 2.429 C A 0038 CYS CA
C A 0037 PRO C 3.170 C A 0038 CYS C
C A 0037 PRO C 3.593 C A 0038 CYS CB
C A 0038 CYS C 2.420 C A 0039 GLY CA
C A 0038 CYS C 2.978 C A 0039 GLY C
C A 0039 GLY C 2.425 C A 0040 ASN CA
C A 0039 GLY C 3.656 C A 0040 ASN C
C A 0039 GLY C 3.137 C A 0040 ASN CB
CHARGE_ATTR 2.00 12.00 18
C A 0003 GLU OE1 10.08 C A 0005 HIS ND1
C A 0003 GLU OE1 9.236 C A 0005 HIS NE2
C A 0003 GLU OE2 10.31 C A 0005 HIS ND1
C A 0003 GLU OE2 9.748 C A 0005 HIS NE2
C A 0006 GLU OE1 6.696 C A 0005 HIS ND1
C A 0006 GLU OE1 8.651 C A 0005 HIS NE2
C A 0006 GLU OE2 7.005 C A 0005 HIS ND1
C A 0006 GLU OE2 8.670 C A 0005 HIS NE2
C A 0006 GLU OE2 10.65 C A 0022 LYS NZ
H A 0018 GLU OE1 9.842 C A 0015 LYS NZ
H A 0018 GLU OE2 9.933 C A 0015 LYS NZ
H A 0018 GLU OE1 10.77 C A 0022 LYS NZ
H A 0018 GLU OE2 9.631 C A 0022 LYS NZ
C A 0033 ASP OD1 9.128 C A 0015 LYS NZ
C A 0033 ASP OD2 8.248 C A 0015 LYS NZ
C A 0033 ASP OD1 11.90 C A 0035 LYS NZ
C A 0034 ASP OD1 9.671 C A 0035 LYS NZ
C A 0034 ASP OD2 9.728 C A 0035 LYS NZ
CHARGE_REPU 2.00 12.00 8
C A 0003 GLU OE1 11.70 C A 0006 GLU OE1
C A 0003 GLU OE1 10.41 C A 0006 GLU OE2
C A 0003 GLU OE2 11.17 C A 0006 GLU OE1
C A 0003 GLU OE2 9.569 C A 0006 GLU OE2
C A 0033 ASP OD1 8.098 C A 0034 ASP OD1
C A 0033 ASP OD1 8.282 C A 0034 ASP OD2
C A 0033 ASP OD2 8.168 C A 0034 ASP OD1
C A 0033 ASP OD2 8.023 C A 0034 ASP OD2
HB_MM 2.00 3.20 49
C A 0002 ASN N 2.196 C A 0001 GLN O
C A 0003 GLU N 2.196 C A 0002 ASN O
C A 0004 GLY N 2.196 C A 0003 GLU O
C A 0005 HIS N 2.195 C A 0004 GLY O
C A 0006 GLU N 2.193 C A 0005 HIS O
C A 0007 CYS N 2.194 C A 0006 GLU O
C A 0008 GLN N 2.963 C A 0006 GLU O
C A 0008 GLN N 2.187 C A 0007 CYS O
C A 0009 CYS N 2.953 C A 0007 CYS O
C A 0009 CYS N 2.221 C A 0008 GLN O
C A 0010 GLN N 2.198 C A 0009 CYS O
C A 0011 CYS N 2.211 C A 0010 GLN O
C A 0012 GLY N 2.195 C A 0011 CYS O
C A 0013 SER N 2.199 C A 0012 GLY O
C A 0014 CYS N 2.194 C A 0013 SER O
C A 0015 LYS N 2.191 C A 0014 CYS O
C A 0016 ASN N 2.198 C A 0015 LYS O
H A 0017 ASN N 2.197 C A 0016 ASN O
H A 0018 GLU N 2.196 H A 0017 ASN O
H A 0019 GLN N 2.197 H A 0018 GLU O
H A 0020 CYS N 3.049 H A 0018 GLU O
H A 0020 CYS N 2.195 H A 0019 GLN O
H A 0021 GLN N 2.199 H A 0020 CYS O
C A 0022 LYS N 3.043 H A 0020 CYS O
C A 0022 LYS N 2.193 H A 0021 GLN O
C A 0023 SER N 2.197 C A 0022 LYS O
C A 0024 CYS N 3.079 H A 0020 CYS O
C A 0024 CYS N 2.196 C A 0023 SER O
C A 0025 SER N 2.184 C A 0024 CYS O
C A 0026 CYS N 2.949 C A 0024 CYS O
C A 0026 CYS N 2.193 C A 0025 SER O
C A 0027 PRO N 2.227 C A 0026 CYS O
C A 0028 THR N 2.193 C A 0027 PRO O
C A 0029 GLY N 3.013 C A 0027 PRO O
C A 0029 GLY N 2.195 C A 0028 THR O
C A 0030 CYS N 2.205 C A 0029 GLY O
C A 0031 ASN N 2.978 C A 0029 GLY O
C A 0031 ASN N 2.193 C A 0030 CYS O
C A 0032 SER N 2.197 C A 0031 ASN O
C A 0033 ASP N 2.197 C A 0032 SER O
C A 0034 ASP N 2.194 C A 0033 ASP O
C A 0035 LYS N 2.195 C A 0034 ASP O
C A 0036 CYS N 2.200 C A 0035 LYS O
C A 0037 PRO N 2.228 C A 0036 CYS O
C A 0038 CYS N 2.921 C A 0036 CYS O
C A 0038 CYS N 2.198 C A 0037 PRO O
C A 0039 GLY N 2.196 C A 0038 CYS O
C A 0040 ASN N 3.071 C A 0038 CYS O
C A 0040 ASN N 2.197 C A 0039 GLY O
HB_MS 2.00 3.20 4
C A 0014 CYS O 3.009 H A 0021 GLN NE2
C A 0022 LYS O 2.472 C A 0023 SER OG
C A 0024 CYS O 2.372 C A 0005 HIS NE2
C A 0026 CYS O 3.165 C A 0005 HIS NE2