Complet list of 1q3m con file
Complete list of 1q3m.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 155
C A 0016 LEU CD2 3.555 C A 0019 LYS CD
C A 0016 LEU CG 3.340 C A 0049 VAL CB
C A 0016 LEU CG 3.603 C A 0049 VAL CG1
C A 0016 LEU CG 3.496 C A 0049 VAL CG2
C A 0016 LEU CD2 3.398 C A 0049 VAL CB
C A 0018 PRO C 2.450 C A 0019 LYS CA
C A 0018 PRO C 3.497 C A 0019 LYS C
C A 0018 PRO C 3.514 C A 0019 LYS CB
C A 0018 PRO C 3.677 C A 0019 LYS CG
C A 0019 LYS C 2.451 C A 0020 ARG CA
C A 0019 LYS C 3.129 C A 0020 ARG C
C A 0019 LYS C 3.725 C A 0020 ARG CB
C A 0019 LYS C 3.476 H A 0042 TYR CE2
C A 0019 LYS C 3.784 H A 0042 TYR CZ
C A 0019 LYS CB 3.640 H A 0042 TYR CZ
C A 0020 ARG CA 3.704 H A 0042 TYR CD2
C A 0020 ARG CA 3.592 H A 0042 TYR CE2
C A 0020 ARG CG 3.502 H A 0042 TYR CD2
C A 0020 ARG CD 3.685 H A 0042 TYR CG
C A 0020 ARG CD 3.604 H A 0042 TYR CD2
C A 0020 ARG CZ 3.368 C A 0049 VAL CG1
C A 0022 VAL C 2.456 C A 0023 CYS CA
C A 0022 VAL C 2.977 C A 0023 CYS C
C A 0022 VAL C 3.727 C A 0023 CYS CB
C A 0023 CYS CA 3.732 H A 0026 ASN CG
C A 0023 CYS CB 3.600 H A 0042 TYR CD2
C A 0025 LEU C 2.441 H A 0026 ASN CA
C A 0025 LEU C 3.175 H A 0026 ASN C
C A 0025 LEU C 3.703 H A 0026 ASN CB
H A 0026 ASN CA 2.909 H A 0027 PRO CD
H A 0026 ASN C 2.482 H A 0027 PRO CA
H A 0026 ASN C 3.107 H A 0027 PRO C
H A 0026 ASN C 3.672 H A 0027 PRO CB
H A 0026 ASN C 3.614 H A 0027 PRO CG
H A 0026 ASN C 2.508 H A 0027 PRO CD
H A 0027 PRO C 2.458 H A 0028 ASP CA
H A 0027 PRO C 2.936 H A 0028 ASP C
H A 0027 PRO C 3.735 H A 0028 ASP CB
H A 0027 PRO CA 3.663 H A 0030 ASP CB
H A 0028 ASP C 2.444 H A 0029 CYS CA
H A 0028 ASP C 3.353 H A 0029 CYS C
H A 0028 ASP C 3.617 H A 0029 CYS CB
H A 0029 CYS C 2.449 H A 0030 ASP CA
H A 0029 CYS C 3.007 H A 0030 ASP C
H A 0029 CYS C 3.734 H A 0030 ASP CB
H A 0029 CYS CA 3.753 H A 0041 ALA CB
H A 0029 CYS CB 3.677 H A 0041 ALA C
H A 0029 CYS CB 3.541 H A 0041 ALA CB
H A 0029 CYS CB 3.501 H A 0045 PHE CE1
H A 0030 ASP C 2.452 H A 0031 GLU CA
H A 0030 ASP C 3.031 H A 0031 GLU C
H A 0030 ASP C 3.727 H A 0031 GLU CB
H A 0031 GLU C 2.453 H A 0032 LEU CA
H A 0031 GLU C 2.994 H A 0032 LEU C
H A 0031 GLU C 3.731 H A 0032 LEU CB
H A 0032 LEU C 2.452 H A 0033 ALA CA
H A 0032 LEU C 3.053 H A 0033 ALA C
H A 0032 LEU C 3.719 H A 0033 ALA CB
H A 0032 LEU CG 3.645 H A 0036 ILE CG1
H A 0032 LEU CD1 3.283 H A 0036 ILE CG1
H A 0032 LEU CD1 3.133 H A 0036 ILE CD1
H A 0032 LEU C 3.683 C A 0037 GLY CA
H A 0032 LEU CD1 3.553 H A 0040 GLU CG
H A 0032 LEU CB 3.438 H A 0041 ALA CB
H A 0032 LEU CG 3.686 H A 0041 ALA CB
H A 0032 LEU CD1 3.746 H A 0041 ALA CB
H A 0032 LEU CD2 3.376 H A 0041 ALA CB
H A 0033 ALA C 2.447 H A 0034 ASP CA
H A 0033 ALA C 3.098 H A 0034 ASP C
H A 0033 ALA C 3.725 H A 0034 ASP CB
H A 0033 ALA CA 3.321 C A 0037 GLY CA
H A 0034 ASP C 2.440 H A 0035 HIS CA
H A 0034 ASP C 3.509 H A 0035 HIS C
H A 0034 ASP C 3.517 H A 0035 HIS CB
H A 0035 HIS C 2.442 H A 0036 ILE CA
H A 0035 HIS C 3.684 H A 0036 ILE C
H A 0035 HIS C 3.292 H A 0036 ILE CB
H A 0035 HIS C 3.191 H A 0036 ILE CG2
H A 0035 HIS CD2 3.431 H A 0036 ILE CG1
H A 0036 ILE C 2.433 C A 0037 GLY CA
H A 0036 ILE C 3.051 C A 0037 GLY C
H A 0036 ILE CA 3.725 C A 0038 PHE CE1
H A 0036 ILE C 3.315 C A 0038 PHE CD1
H A 0036 ILE C 3.487 C A 0038 PHE CE1
H A 0036 ILE CB 3.400 C A 0038 PHE CD1
H A 0036 ILE CB 3.408 C A 0038 PHE CE1
H A 0036 ILE CD1 3.444 H A 0040 GLU CD
C A 0037 GLY C 2.445 C A 0038 PHE CA
C A 0037 GLY C 3.517 C A 0038 PHE C
C A 0037 GLY C 3.488 C A 0038 PHE CB
C A 0037 GLY C 3.700 C A 0038 PHE CG
C A 0037 GLY C 3.279 C A 0038 PHE CD1
C A 0038 PHE C 2.454 H A 0039 GLN CA
C A 0038 PHE C 3.759 H A 0039 GLN C
C A 0038 PHE C 2.998 H A 0039 GLN CB
C A 0038 PHE C 3.502 H A 0039 GLN CG
H A 0039 GLN C 2.466 H A 0040 GLU CA
H A 0039 GLN C 2.924 H A 0040 GLU C
H A 0039 GLN C 3.723 H A 0040 GLU CB
H A 0039 GLN CB 3.601 C A 0049 VAL CG1
H A 0039 GLN CD 3.743 C A 0049 VAL CG1
H A 0040 GLU C 2.450 H A 0041 ALA CA
H A 0040 GLU C 3.010 H A 0041 ALA C
H A 0040 GLU C 3.724 H A 0041 ALA CB
H A 0041 ALA C 2.443 H A 0042 TYR CA
H A 0041 ALA C 3.050 H A 0042 TYR C
H A 0041 ALA C 3.718 H A 0042 TYR CB
H A 0041 ALA CA 3.746 H A 0044 ARG CG
H A 0041 ALA CA 3.697 H A 0044 ARG CD
H A 0041 ALA C 3.768 H A 0044 ARG CG
H A 0042 TYR C 2.451 H A 0043 ARG CA
H A 0042 TYR C 3.075 H A 0043 ARG C
H A 0042 TYR C 3.728 H A 0043 ARG CB
H A 0042 TYR CA 3.358 H A 0045 PHE CE1
H A 0042 TYR C 3.764 H A 0045 PHE CE1
H A 0042 TYR CD1 3.634 C A 0046 TYR CB
H A 0042 TYR CE1 3.270 C A 0046 TYR CB
H A 0042 TYR CE1 3.120 C A 0046 TYR CG
H A 0042 TYR CE1 3.594 C A 0046 TYR CD1
H A 0042 TYR CE1 3.416 C A 0046 TYR CD2
H A 0042 TYR CZ 3.651 C A 0046 TYR CG
H A 0042 TYR CZ 3.665 C A 0046 TYR CD2
H A 0042 TYR CD1 3.468 C A 0049 VAL C
H A 0043 ARG C 2.454 H A 0044 ARG CA
H A 0043 ARG C 3.040 H A 0044 ARG C
H A 0043 ARG C 3.735 H A 0044 ARG CB
H A 0043 ARG CG 3.470 C A 0049 VAL CA
H A 0043 ARG CG 3.599 C A 0049 VAL C
H A 0044 ARG C 2.442 H A 0045 PHE CA
H A 0044 ARG C 3.503 H A 0045 PHE C
H A 0044 ARG C 3.511 H A 0045 PHE CB
H A 0045 PHE C 2.452 C A 0046 TYR CA
H A 0045 PHE C 3.619 C A 0046 TYR C
H A 0045 PHE C 3.365 C A 0046 TYR CB
H A 0045 PHE C 3.655 C A 0046 TYR CG
H A 0045 PHE C 3.285 C A 0046 TYR CD1
H A 0045 PHE CG 3.754 C A 0046 TYR CD1
H A 0045 PHE CD2 3.198 C A 0046 TYR CD1
H A 0045 PHE CD2 3.206 C A 0046 TYR CE1
H A 0045 PHE CE2 3.414 C A 0046 TYR CD1
H A 0045 PHE CE2 3.190 C A 0046 TYR CE1
C A 0046 TYR CA 3.799 C A 0047 GLY CA
C A 0046 TYR C 2.426 C A 0047 GLY CA
C A 0046 TYR C 3.571 C A 0047 GLY C
C A 0046 TYR C 3.416 C A 0048 PRO CD
C A 0047 GLY CA 2.922 C A 0048 PRO CD
C A 0047 GLY C 2.478 C A 0048 PRO CA
C A 0047 GLY C 3.188 C A 0048 PRO C
C A 0047 GLY C 3.667 C A 0048 PRO CB
C A 0047 GLY C 3.579 C A 0048 PRO CG
C A 0047 GLY C 2.505 C A 0048 PRO CD
C A 0048 PRO C 2.462 C A 0049 VAL CA
C A 0048 PRO C 3.086 C A 0049 VAL C
C A 0048 PRO C 3.046 C A 0049 VAL CB
C A 0048 PRO C 3.484 C A 0049 VAL CG2
CHARGE_ATTR 2.00 12.00 29
H A 0028 ASP OD2 11.91 H A 0044 ARG NH1
H A 0030 ASP OD1 11.17 C A 0020 ARG NH1
H A 0030 ASP OD1 11.07 H A 0035 HIS NE2
H A 0030 ASP OD2 11.02 H A 0035 HIS NE2
H A 0031 GLU OE1 6.748 H A 0035 HIS ND1
H A 0031 GLU OE1 6.262 H A 0035 HIS NE2
H A 0031 GLU OE2 7.475 H A 0035 HIS ND1
H A 0031 GLU OE2 7.431 H A 0035 HIS NE2
H A 0031 GLU OE1 10.08 H A 0044 ARG NH1
H A 0031 GLU OE1 8.923 H A 0044 ARG NH2
H A 0031 GLU OE2 11.05 H A 0044 ARG NH2
H A 0034 ASP OD1 7.859 H A 0035 HIS ND1
H A 0034 ASP OD1 7.311 H A 0035 HIS NE2
H A 0034 ASP OD2 8.270 H A 0035 HIS ND1
H A 0034 ASP OD2 8.275 H A 0035 HIS NE2
H A 0040 GLU OE1 10.61 C A 0020 ARG NH1
H A 0040 GLU OE2 11.33 C A 0020 ARG NH1
H A 0040 GLU OE1 8.073 H A 0035 HIS ND1
H A 0040 GLU OE1 6.647 H A 0035 HIS NE2
H A 0040 GLU OE2 6.733 H A 0035 HIS ND1
H A 0040 GLU OE2 5.201 H A 0035 HIS NE2
H A 0040 GLU OE1 8.281 H A 0043 ARG NH1
H A 0040 GLU OE1 10.16 H A 0043 ARG NH2
H A 0040 GLU OE2 9.628 H A 0043 ARG NH1
H A 0040 GLU OE2 11.26 H A 0043 ARG NH2
H A 0040 GLU OE1 6.856 H A 0044 ARG NH1
H A 0040 GLU OE1 5.048 H A 0044 ARG NH2
H A 0040 GLU OE2 5.481 H A 0044 ARG NH1
H A 0040 GLU OE2 3.327 H A 0044 ARG NH2
CHARGE_REPU 2.00 12.00 41
C A 0019 LYS NZ 9.480 C A 0020 ARG NH1
C A 0019 LYS NZ 8.845 C A 0020 ARG NH2
C A 0019 LYS NZ 11.24 H A 0043 ARG NH1
C A 0019 LYS NZ 10.50 H A 0043 ARG NH2
C A 0020 ARG NH1 9.336 H A 0043 ARG NH1
C A 0020 ARG NH1 10.61 H A 0043 ARG NH2
C A 0020 ARG NH2 10.55 H A 0043 ARG NH1
C A 0020 ARG NH2 11.65 H A 0043 ARG NH2
H A 0028 ASP OD1 10.07 H A 0030 ASP OD1
H A 0028 ASP OD1 9.320 H A 0030 ASP OD2
H A 0028 ASP OD2 10.92 H A 0030 ASP OD1
H A 0028 ASP OD2 10.57 H A 0030 ASP OD2
H A 0028 ASP OD1 8.581 H A 0031 GLU OE1
H A 0028 ASP OD1 9.339 H A 0031 GLU OE2
H A 0028 ASP OD2 10.04 H A 0031 GLU OE1
H A 0028 ASP OD2 11.10 H A 0031 GLU OE2
H A 0028 ASP OD1 11.53 H A 0034 ASP OD1
H A 0030 ASP OD1 9.986 H A 0031 GLU OE1
H A 0030 ASP OD1 10.03 H A 0031 GLU OE2
H A 0030 ASP OD2 8.918 H A 0031 GLU OE1
H A 0030 ASP OD2 8.583 H A 0031 GLU OE2
H A 0030 ASP OD1 5.736 H A 0034 ASP OD1
H A 0030 ASP OD1 7.459 H A 0034 ASP OD2
H A 0030 ASP OD2 4.889 H A 0034 ASP OD1
H A 0030 ASP OD2 6.209 H A 0034 ASP OD2
H A 0031 GLU OE1 6.722 H A 0034 ASP OD1
H A 0031 GLU OE1 7.229 H A 0034 ASP OD2
H A 0031 GLU OE2 6.172 H A 0034 ASP OD1
H A 0031 GLU OE2 6.052 H A 0034 ASP OD2
H A 0031 GLU OE1 11.56 H A 0040 GLU OE1
H A 0031 GLU OE1 9.524 H A 0040 GLU OE2
H A 0031 GLU OE2 11.38 H A 0040 GLU OE2
H A 0034 ASP OD1 11.59 H A 0040 GLU OE2
H A 0035 HIS ND1 10.54 H A 0044 ARG NH1
H A 0035 HIS ND1 8.387 H A 0044 ARG NH2
H A 0035 HIS NE2 9.084 H A 0044 ARG NH1
H A 0035 HIS NE2 6.907 H A 0044 ARG NH2
H A 0043 ARG NH1 10.00 H A 0044 ARG NH1
H A 0043 ARG NH1 10.08 H A 0044 ARG NH2
H A 0043 ARG NH2 10.57 H A 0044 ARG NH1
H A 0043 ARG NH2 11.12 H A 0044 ARG NH2
HB_MM 2.00 3.20 48
C A 0019 LYS N 2.257 C A 0018 PRO O
C A 0020 ARG N 2.259 C A 0019 LYS O
C A 0022 VAL N 3.150 C A 0020 ARG O
C A 0023 CYS N 2.899 C A 0020 ARG O
C A 0023 CYS N 2.262 C A 0022 VAL O
C A 0025 LEU N 2.865 C A 0022 VAL O
H A 0026 ASN N 2.257 C A 0025 LEU O
H A 0027 PRO N 2.254 H A 0026 ASN O
H A 0028 ASP N 3.078 H A 0026 ASN O
H A 0028 ASP N 2.260 H A 0027 PRO O
H A 0029 CYS N 2.256 H A 0028 ASP O
H A 0030 ASP N 3.190 H A 0026 ASN O
H A 0030 ASP N 2.258 H A 0029 CYS O
H A 0031 GLU N 3.188 H A 0029 CYS O
H A 0031 GLU N 2.261 H A 0030 ASP O
H A 0032 LEU N 2.937 H A 0029 CYS O
H A 0032 LEU N 3.070 H A 0030 ASP O
H A 0032 LEU N 2.256 H A 0031 GLU O
H A 0033 ALA N 3.198 H A 0030 ASP O
H A 0033 ALA N 2.253 H A 0032 LEU O
H A 0034 ASP N 2.960 H A 0031 GLU O
H A 0034 ASP N 3.024 H A 0032 LEU O
H A 0034 ASP N 2.254 H A 0033 ALA O
H A 0035 HIS N 2.255 H A 0034 ASP O
H A 0036 ILE N 2.873 H A 0032 LEU O
H A 0036 ILE N 2.252 H A 0035 HIS O
C A 0037 GLY N 2.691 H A 0032 LEU O
C A 0037 GLY N 2.255 H A 0036 ILE O
C A 0038 PHE N 2.256 C A 0037 GLY O
H A 0039 GLN N 2.259 C A 0038 PHE O
H A 0040 GLU N 2.262 H A 0039 GLN O
H A 0041 ALA N 2.952 H A 0039 GLN O
H A 0041 ALA N 2.256 H A 0040 GLU O
H A 0042 TYR N 2.743 H A 0039 GLN O
H A 0042 TYR N 2.255 H A 0041 ALA O
H A 0043 ARG N 2.960 H A 0039 GLN O
H A 0043 ARG N 3.124 H A 0040 GLU O
H A 0043 ARG N 2.259 H A 0042 TYR O
H A 0044 ARG N 3.136 H A 0040 GLU O
H A 0044 ARG N 3.164 H A 0041 ALA O
H A 0044 ARG N 2.258 H A 0043 ARG O
H A 0045 PHE N 2.255 H A 0044 ARG O
C A 0046 TYR N 2.256 H A 0045 PHE O
C A 0047 GLY N 3.066 H A 0043 ARG O
C A 0047 GLY N 2.258 C A 0046 TYR O
C A 0048 PRO N 2.257 C A 0047 GLY O
C A 0049 VAL N 2.816 C A 0047 GLY O
C A 0049 VAL N 2.262 C A 0048 PRO O
HB_MS 2.00 3.20 1
C A 0022 VAL O 2.959 H A 0026 ASN ND2
AROMATIC 0.00 8.00 2
C A 0019 LYS 7.666 C A 0046 TYR
H A 0045 PHE 4.897 C A 0046 TYR
SS_BOND 1.50 2.80 1
C A 0023 CYS SG 2.027 H A 0029 CYS SG