Complet list of 1hiq con file
Complete list of 1hiq.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 76
C A 0001 GLY C 2.477 H A 0002 ILE CA
C A 0001 GLY C 2.921 H A 0002 ILE C
C A 0001 GLY C 3.747 H A 0002 ILE CB
H A 0002 ILE C 2.409 H A 0003 VAL CA
H A 0002 ILE C 3.353 H A 0003 VAL C
H A 0002 ILE C 3.604 H A 0003 VAL CB
H A 0002 ILE C 3.732 C A 0019 TYR CE1
H A 0002 ILE CG2 3.741 C A 0019 TYR CD1
H A 0002 ILE CG2 3.591 C A 0019 TYR CE1
H A 0003 VAL C 2.477 H A 0004 GLU CA
H A 0003 VAL C 2.926 H A 0004 GLU C
H A 0003 VAL C 3.643 H A 0004 GLU CB
H A 0004 GLU C 2.452 H A 0005 GLN CA
H A 0004 GLU C 3.057 H A 0005 GLN C
H A 0004 GLU C 3.720 H A 0005 GLN CB
H A 0005 GLN CA 3.797 H A 0006 CYS CA
H A 0005 GLN C 2.423 H A 0006 CYS CA
H A 0005 GLN C 3.111 H A 0006 CYS C
H A 0005 GLN C 3.677 H A 0006 CYS CB
H A 0006 CYS C 2.451 H A 0007 CYS CA
H A 0006 CYS C 3.571 H A 0007 CYS C
H A 0006 CYS C 3.482 H A 0007 CYS CB
H A 0007 CYS C 2.442 H A 0008 THR CA
H A 0007 CYS C 3.153 H A 0008 THR C
H A 0007 CYS C 3.661 H A 0008 THR CB
H A 0008 THR C 2.454 C A 0009 SER CA
H A 0008 THR C 3.447 C A 0009 SER C
H A 0008 THR C 3.497 C A 0009 SER CB
C A 0009 SER C 2.438 C A 0010 ILE CA
C A 0009 SER C 3.375 C A 0010 ILE C
C A 0009 SER C 3.498 C A 0010 ILE CB
C A 0009 SER C 3.519 C A 0010 ILE CG1
C A 0010 ILE C 2.413 C A 0011 CYS CA
C A 0010 ILE C 3.548 C A 0011 CYS C
C A 0010 ILE C 3.334 C A 0011 CYS CB
C A 0011 CYS C 2.431 H A 0012 SER CA
C A 0011 CYS C 3.505 H A 0012 SER C
C A 0011 CYS C 3.473 H A 0012 SER CB
C A 0011 CYS CA 3.568 H A 0015 GLN CD
C A 0011 CYS CB 3.678 H A 0015 GLN CB
C A 0011 CYS CB 3.640 H A 0015 GLN CD
H A 0012 SER CA 3.783 H A 0013 LEU CA
H A 0012 SER C 2.463 H A 0013 LEU CA
H A 0012 SER C 2.916 H A 0013 LEU C
H A 0012 SER C 3.661 H A 0013 LEU CB
H A 0013 LEU C 2.440 H A 0014 TYR CA
H A 0013 LEU C 3.121 H A 0014 TYR C
H A 0013 LEU C 3.710 H A 0014 TYR CB
H A 0014 TYR C 2.445 H A 0015 GLN CA
H A 0014 TYR C 2.878 H A 0015 GLN C
H A 0014 TYR C 3.700 H A 0015 GLN CB
H A 0014 TYR CA 3.727 H A 0017 GLU CB
H A 0014 TYR CE2 3.566 H A 0018 ASN CG
H A 0015 GLN C 2.452 H A 0016 LEU CA
H A 0015 GLN C 2.992 H A 0016 LEU C
H A 0015 GLN C 3.694 H A 0016 LEU CB
H A 0016 LEU C 2.499 H A 0017 GLU CA
H A 0016 LEU C 2.947 H A 0017 GLU C
H A 0016 LEU C 3.672 H A 0017 GLU CB
H A 0016 LEU CA 3.655 C A 0019 TYR CE2
H A 0016 LEU CG 3.709 C A 0019 TYR CE2
H A 0016 LEU CD2 3.490 C A 0019 TYR CD2
H A 0016 LEU CD2 3.651 C A 0019 TYR CE2
H A 0017 GLU C 2.465 H A 0018 ASN CA
H A 0017 GLU C 2.929 H A 0018 ASN C
H A 0017 GLU C 3.716 H A 0018 ASN CB
H A 0018 ASN C 2.454 C A 0019 TYR CA
H A 0018 ASN C 2.896 C A 0019 TYR C
H A 0018 ASN C 3.743 C A 0019 TYR CB
C A 0019 TYR C 2.500 C A 0020 CYS CA
C A 0019 TYR C 2.943 C A 0020 CYS C
C A 0019 TYR C 3.705 C A 0020 CYS CB
C A 0020 CYS CA 3.784 C A 0021 ASN CA
C A 0020 CYS C 2.446 C A 0021 ASN CA
C A 0020 CYS C 3.334 C A 0021 ASN C
C A 0020 CYS C 3.605 C A 0021 ASN CB
HB_MM 2.00 3.20 38
H A 0002 ILE N 2.256 C A 0001 GLY O
H A 0003 VAL N 2.848 C A 0001 GLY O
H A 0003 VAL N 2.205 H A 0002 ILE O
H A 0004 GLU N 2.239 H A 0003 VAL O
H A 0005 GLN N 2.772 H A 0003 VAL O
H A 0005 GLN N 2.228 H A 0004 GLU O
H A 0006 CYS N 2.790 H A 0003 VAL O
H A 0006 CYS N 2.232 H A 0005 GLN O
H A 0007 CYS N 3.021 H A 0004 GLU O
H A 0007 CYS N 2.894 H A 0005 GLN O
H A 0007 CYS N 2.232 H A 0006 CYS O
H A 0008 THR N 2.886 H A 0004 GLU O
H A 0008 THR N 2.229 H A 0007 CYS O
C A 0009 SER N 2.229 H A 0008 THR O
C A 0010 ILE N 2.222 C A 0009 SER O
C A 0011 CYS N 2.223 C A 0010 ILE O
H A 0012 SER N 2.227 C A 0011 CYS O
H A 0013 LEU N 2.233 H A 0012 SER O
H A 0014 TYR N 2.898 H A 0012 SER O
H A 0014 TYR N 2.220 H A 0013 LEU O
H A 0015 GLN N 2.788 H A 0012 SER O
H A 0015 GLN N 2.231 H A 0014 TYR O
H A 0016 LEU N 3.101 H A 0012 SER O
H A 0016 LEU N 2.762 H A 0014 TYR O
H A 0016 LEU N 2.240 H A 0015 GLN O
H A 0017 GLU N 3.128 H A 0013 LEU O
H A 0017 GLU N 2.825 H A 0014 TYR O
H A 0017 GLU N 2.240 H A 0016 LEU O
H A 0018 ASN N 3.105 H A 0014 TYR O
H A 0018 ASN N 2.763 H A 0016 LEU O
H A 0018 ASN N 2.223 H A 0017 GLU O
C A 0019 TYR N 2.889 H A 0016 LEU O
C A 0019 TYR N 2.715 H A 0017 GLU O
C A 0019 TYR N 2.236 H A 0018 ASN O
C A 0020 CYS N 2.599 H A 0017 GLU O
C A 0020 CYS N 2.255 C A 0019 TYR O
C A 0021 ASN N 2.998 C A 0019 TYR O
C A 0021 ASN N 2.244 C A 0020 CYS O
HB_MS 2.00 3.20 5
C A 0001 GLY N 3.123 H A 0004 GLU OE1
H A 0002 ILE O 2.744 C A 0019 TYR OH
H A 0014 TYR O 2.736 H A 0018 ASN ND2
H A 0015 GLN O 2.990 H A 0018 ASN ND2
H A 0018 ASN N 3.046 H A 0017 GLU OE1
HB_SS 2.00 3.20 2
H A 0014 TYR OH 3.136 H A 0018 ASN OD1
H A 0015 GLN NE2 3.129 H A 0012 SER OG
SS_BOND 1.50 2.80 1
H A 0006 CYS SG 2.020 C A 0011 CYS SG
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 25
H A 0002 ILE CG2 3.600 C B 0026 TYR CD2
H A 0002 ILE CG2 3.783 C B 0026 TYR CE1
H A 0002 ILE CG2 3.419 C B 0026 TYR CE2
H A 0002 ILE CG2 3.520 C B 0026 TYR CZ
H A 0002 ILE CD1 3.706 C B 0026 TYR CD1
H A 0003 VAL CA 3.545 H B 0011 LEU CD1
H A 0003 VAL CB 3.439 H B 0011 LEU CD1
H A 0003 VAL CG1 3.661 H B 0011 LEU CD1
H A 0003 VAL CG1 3.567 C B 0026 TYR CE2
H A 0003 VAL CG1 3.709 C B 0026 TYR CZ
H A 0006 CYS CB 3.576 H B 0011 LEU CD2
H A 0007 CYS CB 3.622 C B 0007 CYS CB
C A 0010 ILE CG2 3.369 C B 0003 ASN CA
C A 0010 ILE CG2 3.191 C B 0003 ASN C
C A 0010 ILE CG2 3.695 C B 0003 ASN CB
C A 0010 ILE CG1 3.339 C B 0005 HIS CD2
C A 0010 ILE CG1 3.478 C B 0005 HIS CE1
C A 0010 ILE CD1 3.618 C B 0005 HIS CE1
H A 0016 LEU CD1 3.756 H B 0018 VAL CG2
C A 0019 TYR CB 3.213 H B 0015 LEU CD2
C A 0019 TYR CG 3.521 H B 0015 LEU CD2
C A 0019 TYR CD2 3.764 H B 0015 LEU CG
C A 0019 TYR CD2 3.134 H B 0015 LEU CD2
C A 0020 CYS CA 3.370 H B 0019 CYS CB
C A 0020 CYS CB 3.229 H B 0019 CYS CB
CHARGE_REPU 2.00 12.00 4
H A 0017 GLU OE1 10.39 C B 0021 GLU OE1
H A 0017 GLU OE1 10.33 C B 0021 GLU OE2
H A 0017 GLU OE2 8.793 C B 0021 GLU OE1
H A 0017 GLU OE2 8.921 C B 0021 GLU OE2
HB_MM 2.00 3.20 1
H A 0006 CYS O 2.942 C B 0006 LEU N
SS_BOND 1.50 2.80 2
H A 0007 CYS SG 2.020 C B 0007 CYS SG
C A 0020 CYS SG 2.019 H B 0019 CYS SG
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 120
C B 0001 PHE C 2.441 C B 0002 VAL CA
C B 0001 PHE C 3.454 C B 0002 VAL C
C B 0001 PHE C 3.461 C B 0002 VAL CB
C B 0001 PHE CD2 3.691 C B 0002 VAL CB
C B 0001 PHE CD2 3.675 C B 0002 VAL CG1
C B 0001 PHE CE2 3.457 C B 0002 VAL CG1
C B 0002 VAL CA 3.777 C B 0003 ASN CA
C B 0002 VAL C 2.459 C B 0003 ASN CA
C B 0002 VAL C 3.491 C B 0003 ASN C
C B 0002 VAL C 3.489 C B 0003 ASN CB
C B 0002 VAL C 3.469 C B 0003 ASN CG
C B 0003 ASN C 2.463 C B 0004 GLN CA
C B 0003 ASN C 3.578 C B 0004 GLN C
C B 0003 ASN C 3.360 C B 0004 GLN CB
C B 0004 GLN C 2.443 C B 0005 HIS CA
C B 0004 GLN C 3.317 C B 0005 HIS C
C B 0004 GLN C 3.604 C B 0005 HIS CB
C B 0004 GLN C 3.689 C B 0005 HIS CG
C B 0004 GLN C 3.632 C B 0006 LEU CD2
C B 0005 HIS C 2.496 C B 0006 LEU CA
C B 0005 HIS C 3.543 C B 0006 LEU C
C B 0005 HIS C 3.524 C B 0006 LEU CB
C B 0005 HIS C 3.752 C B 0006 LEU CG
C B 0005 HIS C 3.418 C B 0006 LEU CD2
C B 0006 LEU C 2.430 C B 0007 CYS CA
C B 0006 LEU C 3.441 C B 0007 CYS C
C B 0006 LEU C 3.534 C B 0007 CYS CB
C B 0006 LEU CA 3.282 H B 0010 HIS CB
C B 0006 LEU C 3.513 H B 0010 HIS CB
C B 0006 LEU CB 3.305 H B 0010 HIS CB
C B 0006 LEU CD1 3.563 H B 0010 HIS CB
C B 0007 CYS C 2.434 C B 0008 GLY CA
C B 0007 CYS C 3.219 C B 0008 GLY C
C B 0008 GLY C 2.459 H B 0009 SER CA
C B 0008 GLY C 3.626 H B 0009 SER C
C B 0008 GLY C 3.392 H B 0009 SER CB
H B 0009 SER C 2.453 H B 0010 HIS CA
H B 0009 SER C 3.008 H B 0010 HIS C
H B 0009 SER C 3.637 H B 0010 HIS CB
H B 0010 HIS C 2.449 H B 0011 LEU CA
H B 0010 HIS C 3.144 H B 0011 LEU C
H B 0010 HIS C 3.700 H B 0011 LEU CB
H B 0011 LEU C 2.463 H B 0012 VAL CA
H B 0011 LEU C 2.879 H B 0012 VAL C
H B 0011 LEU C 3.719 H B 0012 VAL CB
H B 0012 VAL C 2.476 H B 0013 GLU CA
H B 0012 VAL C 3.218 H B 0013 GLU C
H B 0012 VAL C 3.688 H B 0013 GLU CB
H B 0013 GLU C 2.477 H B 0014 ALA CA
H B 0013 GLU C 2.869 H B 0014 ALA C
H B 0013 GLU C 3.710 H B 0014 ALA CB
H B 0014 ALA C 2.452 H B 0015 LEU CA
H B 0014 ALA C 2.881 H B 0015 LEU C
H B 0014 ALA C 3.683 H B 0015 LEU CB
H B 0015 LEU C 2.472 H B 0016 TYR CA
H B 0015 LEU C 2.943 H B 0016 TYR C
H B 0015 LEU C 3.756 H B 0016 TYR CB
H B 0015 LEU CD2 3.735 C B 0021 GLU CB
H B 0016 TYR C 2.459 H B 0017 LEU CA
H B 0016 TYR C 3.082 H B 0017 LEU C
H B 0016 TYR C 3.707 H B 0017 LEU CB
H B 0016 TYR CB 3.677 C B 0022 ARG CZ
H B 0017 LEU C 2.457 H B 0018 VAL CA
H B 0017 LEU C 3.419 H B 0018 VAL C
H B 0017 LEU C 3.581 H B 0018 VAL CB
H B 0017 LEU C 3.628 H B 0018 VAL CG2
H B 0018 VAL C 2.449 H B 0019 CYS CA
H B 0018 VAL C 3.669 H B 0019 CYS C
H B 0018 VAL C 3.353 H B 0019 CYS CB
H B 0019 CYS C 2.484 C B 0020 GLY CA
H B 0019 CYS C 2.937 C B 0020 GLY C
C B 0020 GLY C 2.442 C B 0021 GLU CA
C B 0020 GLY C 3.469 C B 0021 GLU C
C B 0020 GLY C 3.454 C B 0021 GLU CB
C B 0021 GLU C 2.466 C B 0022 ARG CA
C B 0021 GLU C 3.483 C B 0022 ARG C
C B 0021 GLU C 3.531 C B 0022 ARG CB
C B 0021 GLU CG 3.509 C B 0025 PHE CB
C B 0021 GLU CG 3.760 C B 0025 PHE CG
C B 0021 GLU CG 3.754 C B 0025 PHE CD2
C B 0021 GLU CD 3.574 C B 0025 PHE CG
C B 0021 GLU CD 3.238 C B 0025 PHE CD2
C B 0021 GLU CD 3.680 C B 0025 PHE CE2
C B 0022 ARG CA 3.775 C B 0023 GLY CA
C B 0022 ARG C 2.427 C B 0023 GLY CA
C B 0022 ARG C 3.330 C B 0023 GLY C
C B 0022 ARG CA 3.796 C B 0027 THR CB
C B 0022 ARG C 3.655 C B 0027 THR CB
C B 0023 GLY C 2.442 C B 0024 SER CA
C B 0023 GLY C 3.413 C B 0024 SER C
C B 0023 GLY C 3.499 C B 0024 SER CB
C B 0024 SER C 2.473 C B 0025 PHE CA
C B 0024 SER C 3.525 C B 0025 PHE C
C B 0024 SER C 3.579 C B 0025 PHE CB
C B 0025 PHE C 2.455 C B 0026 TYR CA
C B 0025 PHE C 3.392 C B 0026 TYR C
C B 0025 PHE C 3.498 C B 0026 TYR CB
C B 0026 TYR CA 3.785 C B 0027 THR CA
C B 0026 TYR C 2.461 C B 0027 THR CA
C B 0026 TYR C 3.526 C B 0027 THR C
C B 0026 TYR C 3.430 C B 0027 THR CB
C B 0026 TYR C 3.192 C B 0028 PRO CD
C B 0026 TYR CD2 3.585 C B 0028 PRO CD
C B 0026 TYR CE2 3.416 C B 0028 PRO CG
C B 0026 TYR CE2 3.681 C B 0028 PRO CD
C B 0026 TYR CZ 3.601 C B 0028 PRO CG
C B 0027 THR CA 2.974 C B 0028 PRO CD
C B 0027 THR C 2.467 C B 0028 PRO CA
C B 0027 THR C 3.305 C B 0028 PRO C
C B 0027 THR C 3.559 C B 0028 PRO CB
C B 0027 THR C 3.676 C B 0028 PRO CG
C B 0027 THR C 2.526 C B 0028 PRO CD
C B 0028 PRO C 2.466 C B 0029 LYS CA
C B 0028 PRO C 3.528 C B 0029 LYS C
C B 0028 PRO C 3.480 C B 0029 LYS CB
C B 0028 PRO C 3.614 C B 0029 LYS CG
C B 0028 PRO C 3.325 C B 0029 LYS CD
C B 0029 LYS C 2.443 C B 0030 THR CA
C B 0029 LYS C 3.560 C B 0030 THR C
C B 0029 LYS C 3.394 C B 0030 THR CB
CHARGE_ATTR 2.00 12.00 11
H B 0013 GLU OE1 8.115 H B 0010 HIS ND1
H B 0013 GLU OE1 9.850 H B 0010 HIS NE2
H B 0013 GLU OE2 8.754 H B 0010 HIS ND1
H B 0013 GLU OE2 10.36 H B 0010 HIS NE2
H B 0013 GLU OE1 5.914 C B 0022 ARG NH1
H B 0013 GLU OE1 4.246 C B 0022 ARG NH2
H B 0013 GLU OE2 5.222 C B 0022 ARG NH1
H B 0013 GLU OE2 3.253 C B 0022 ARG NH2
C B 0021 GLU OE1 8.845 C B 0022 ARG NH1
C B 0021 GLU OE1 11.03 C B 0022 ARG NH2
C B 0021 GLU OE2 10.49 C B 0022 ARG NH1
CHARGE_REPU 2.00 12.00 5
C B 0005 HIS ND1 10.51 H B 0010 HIS ND1
C B 0005 HIS ND1 9.562 H B 0010 HIS NE2
C B 0005 HIS NE2 11.44 H B 0010 HIS NE2
H B 0010 HIS ND1 11.75 C B 0022 ARG NH1
H B 0010 HIS ND1 11.06 C B 0022 ARG NH2
HB_MM 2.00 3.20 47
C B 0002 VAL N 2.224 C B 0001 PHE O
C B 0003 ASN N 2.235 C B 0002 VAL O
C B 0004 GLN N 2.224 C B 0003 ASN O
C B 0005 HIS N 2.216 C B 0004 GLN O
C B 0006 LEU N 2.240 C B 0005 HIS O
C B 0007 CYS N 2.208 C B 0006 LEU O
C B 0008 GLY N 2.227 C B 0007 CYS O
H B 0009 SER N 3.078 C B 0007 CYS O
H B 0009 SER N 2.236 C B 0008 GLY O
H B 0010 HIS N 2.236 H B 0009 SER O
H B 0011 LEU N 2.909 H B 0009 SER O
H B 0011 LEU N 2.204 H B 0010 HIS O
H B 0012 VAL N 3.149 H B 0009 SER O
H B 0012 VAL N 2.240 H B 0011 LEU O
H B 0013 GLU N 2.755 H B 0011 LEU O
H B 0013 GLU N 2.241 H B 0012 VAL O
H B 0014 ALA N 2.828 H B 0010 HIS O
H B 0014 ALA N 2.778 H B 0011 LEU O
H B 0014 ALA N 2.221 H B 0013 GLU O
H B 0015 LEU N 3.038 H B 0011 LEU O
H B 0015 LEU N 2.883 H B 0013 GLU O
H B 0015 LEU N 2.223 H B 0014 ALA O
H B 0016 TYR N 2.682 H B 0013 GLU O
H B 0016 TYR N 2.235 H B 0015 LEU O
H B 0017 LEU N 3.141 H B 0013 GLU O
H B 0017 LEU N 2.914 H B 0014 ALA O
H B 0017 LEU N 3.185 H B 0015 LEU O
H B 0017 LEU N 2.236 H B 0016 TYR O
H B 0018 VAL N 2.786 H B 0014 ALA O
H B 0018 VAL N 2.937 H B 0015 LEU O
H B 0018 VAL N 2.225 H B 0017 LEU O
H B 0019 CYS N 2.718 H B 0015 LEU O
H B 0019 CYS N 2.218 H B 0018 VAL O
C B 0020 GLY N 2.831 H B 0015 LEU O
C B 0020 GLY N 2.230 H B 0019 CYS O
C B 0021 GLU N 2.990 H B 0019 CYS O
C B 0021 GLU N 2.224 C B 0020 GLY O
C B 0022 ARG N 2.233 C B 0021 GLU O
C B 0023 GLY N 2.219 C B 0022 ARG O
C B 0024 SER N 2.232 C B 0023 GLY O
C B 0025 PHE N 2.240 C B 0024 SER O
C B 0026 TYR N 2.942 C B 0021 GLU O
C B 0026 TYR N 2.231 C B 0025 PHE O
C B 0027 THR N 2.245 C B 0026 TYR O
C B 0028 PRO N 2.220 C B 0027 THR O
C B 0029 LYS N 2.239 C B 0028 PRO O
C B 0030 THR N 2.229 C B 0029 LYS O
HB_MS 2.00 3.20 4
C B 0001 PHE N 2.955 C B 0003 ASN OD1
C B 0002 VAL N 3.047 C B 0003 ASN OD1
H B 0010 HIS N 2.890 H B 0009 SER OG
H B 0012 VAL O 2.807 C B 0022 ARG NH1