Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k8g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH HIS 77.A NE2 no hydrogen 3.035 N/A VAL 4.A N HIS 18.A O no hydrogen 2.913 N/A LEU 6.A N ASP 41.A OD2 no hydrogen 2.815 N/A ALA 7.A N THR 43.A OG1 no hydrogen 3.088 N/A LYS 8.A N GLU 5.A O no hydrogen 2.788 N/A SER 10.A N GLN 17.A OE1 no hydrogen 3.127 N/A SER 10.A OG SER 13.A OG no hydrogen 3.370 N/A THR 12.A N SER 10.A OG no hydrogen 2.815 N/A SER 13.A N SER 10.A OG no hydrogen 2.696 N/A SER 13.A OG SER 10.A OG no hydrogen 3.370 N/A GLN 17.A N ALA 79.A O no hydrogen 2.577 N/A PHE 19.A N VAL 76.A O no hydrogen 3.271 N/A TYR 20.A OH GLU 139.A OE2 no hydrogen 2.899 N/A ALA 21.A N ILE 74.A O no hydrogen 2.876 N/A VAL 22.A N VAL 40.A O no hydrogen 2.663 N/A VAL 23.A N ASP 72.A O no hydrogen 2.978 N/A ILE 24.A N LYS 38.A O no hydrogen 2.951 N/A THR 27.A N SER 36.A O no hydrogen 3.088 N/A THR 27.A OG1 PHE 28.A O no hydrogen 3.143 N/A PHE 28.A N TYR 247.A O no hydrogen 3.062 N/A TYR 30.A N ILE 34.A O no hydrogen 3.116 N/A TYR 33.A N ALA 58.A O no hydrogen 3.288 N/A ILE 34.A N TYR 30.A O no hydrogen 2.885 N/A CYS 35.A N LEU 56.A O no hydrogen 3.137 N/A CYS 35.A SG THR 27.A O no hydrogen 3.421 N/A CYS 35.A SG PRO 65.A O no hydrogen 3.757 N/A SER 36.A N THR 27.A OG1 no hydrogen 3.183 N/A LEU 37.A N LEU 54.A O no hydrogen 2.666 N/A LYS 38.A N ASP 25.A O no hydrogen 2.809 N/A LYS 38.A NZ ASP 25.A OD2 no hydrogen 2.482 N/A ILE 39.A N ALA 52.A O no hydrogen 2.852 N/A VAL 40.A N VAL 22.A O no hydrogen 2.900 N/A ASP 41.A N LEU 44.A O no hydrogen 3.048 N/A THR 43.A N ASP 41.A OD1 no hydrogen 2.864 N/A THR 43.A OG1 ASP 41.A OD1 no hydrogen 3.054 N/A LEU 44.A N ASP 41.A O no hydrogen 2.899 N/A SER 49.A OG ASP 50.A O no hydrogen 3.452 N/A SER 49.A OG VAL 159.A O no hydrogen 3.524 N/A ALA 52.A N ILE 39.A O no hydrogen 2.846 N/A THR 53.A N ARG 88.A O no hydrogen 2.682 N/A THR 53.A OG1 GLN 87.A OE1 no hydrogen 3.030 N/A LEU 54.A N LEU 37.A O no hydrogen 2.838 N/A VAL 55.A N PHE 90.A O no hydrogen 2.987 N/A LEU 56.A N CYS 35.A O no hydrogen 2.766 N/A TYR 57.A N ALA 92.A O no hydrogen 2.866 N/A ALA 58.A N TYR 33.A O no hydrogen 3.306 N/A ARG 60.A NE ASP 63.A OD1 no hydrogen 3.096 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.564 N/A ASP 63.A N ARG 60.A O no hydrogen 3.004 N/A LEU 64.A N PHE 61.A O no hydrogen 3.191 N/A ARG 69.A NE ASP 72.A OD1 no hydrogen 3.379 N/A ARG 69.A NE ASP 72.A OD2 no hydrogen 3.254 N/A ARG 69.A NH1 ARG 108.A O no hydrogen 3.164 N/A ARG 69.A NH1 GLU 113.A OE1 no hydrogen 3.469 N/A ARG 69.A NH2 ASP 72.A OD1 no hydrogen 2.578 N/A ARG 69.A NH2 ASP 72.A OD2 no hydrogen 3.341 N/A ARG 69.A NH2 ARG 108.A O no hydrogen 3.049 N/A ALA 70.A N THR 252.A O no hydrogen 2.562 N/A GLY 71.A N VAL 23.A O no hydrogen 2.751 N/A ILE 73.A N PHE 103.A O no hydrogen 2.880 N/A ILE 74.A N ALA 21.A O no hydrogen 2.913 N/A ARG 75.A N ALA 101.A O no hydrogen 3.065 N/A ARG 75.A NH2 THR 134.A O no hydrogen 3.206 N/A VAL 76.A N PHE 19.A O no hydrogen 3.061 N/A HIS 77.A N SER 99.A O no hydrogen 3.028 N/A HIS 77.A NE2 TYR 3.A OH no hydrogen 3.035 N/A ARG 78.A N HIS 18.A ND1 no hydrogen 2.961 N/A ARG 78.A NH1 SER 97.A O no hydrogen 2.626 N/A ALA 79.A N GLN 17.A O no hydrogen 2.779 N/A THR 80.A N ASN 91.A O no hydrogen 2.736 N/A ARG 82.A N GLN 89.A O no hydrogen 2.924 N/A ARG 82.A NE ASN 91.A OD1 no hydrogen 3.117 N/A ARG 82.A NH2 GLN 89.A OE1 no hydrogen 3.505 N/A ARG 88.A NH1 LEU 6.A O no hydrogen 2.476 N/A ARG 88.A NH1 ALA 9.A O no hydrogen 3.324 N/A ARG 88.A NH2 ALA 9.A O no hydrogen 3.337 N/A GLN 89.A N ARG 82.A O no hydrogen 2.988 N/A PHE 90.A N THR 53.A O no hydrogen 2.633 N/A ASN 91.A N THR 80.A O no hydrogen 2.609 N/A ASN 91.A ND2 GLN 89.A OE1 no hydrogen 3.384 N/A ALA 92.A N VAL 55.A O no hydrogen 3.103 N/A VAL 94.A N TYR 57.A O no hydrogen 2.619 N/A SER 98.A OG HIS 77.A O no hydrogen 3.428 N/A SER 98.A OG ARG 78.A O no hydrogen 2.489 N/A TRP 100.A N SER 129.A OG no hydrogen 3.144 N/A TRP 100.A NE1 ASP 63.A O no hydrogen 3.054 N/A ALA 101.A N ARG 75.A O no hydrogen 3.096 N/A LEU 102.A N SER 127.A O no hydrogen 2.799 N/A PHE 103.A N ILE 73.A O no hydrogen 2.815 N/A SER 104.A OG ASP 106.A O no hydrogen 2.413 N/A THR 105.A N ASP 72.A OD1 no hydrogen 3.208 N/A THR 105.A OG1 GLY 71.A O no hydrogen 2.703 N/A ARG 108.A NH1 ASN 116.A OD1 no hydrogen 3.373 N/A ARG 108.A NH2 ASN 116.A OD1 no hydrogen 2.790 N/A ARG 108.A NH2 ASP 118.A OD1 no hydrogen 3.515 N/A SER 109.A N GLN 112.A OE1 no hydrogen 3.441 N/A GLU 113.A N SER 109.A O no hydrogen 2.766 N/A ILE 114.A N VAL 110.A O no hydrogen 3.160 N/A ILE 114.A N THR 111.A O no hydrogen 3.347 N/A ASN 115.A N THR 111.A O no hydrogen 3.366 N/A ASN 115.A N GLN 112.A O no hydrogen 2.884 N/A GLN 117.A N GLN 112.A O no hydrogen 3.429 N/A SER 121.A OG THR 124.A OG1 no hydrogen 2.630 N/A THR 123.A N SER 121.A O no hydrogen 2.671 N/A THR 124.A N SER 121.A O no hydrogen 2.531 N/A THR 124.A OG1 SER 121.A OG no hydrogen 2.630 N/A PHE 126.A N LEU 102.A O no hydrogen 3.193 N/A SER 129.A N TRP 100.A O no hydrogen 2.873 N/A GLU 139.A N GLU 136.A O no hydrogen 3.295 N/A LEU 143.A N GLU 139.A O no hydrogen 3.123 N/A GLN 144.A N ILE 140.A O no hydrogen 2.850 N/A ASN 145.A N SER 141.A O no hydrogen 2.812 N/A LEU 146.A N ILE 142.A O no hydrogen 2.911 N/A ARG 147.A N LEU 143.A O no hydrogen 3.205 N/A LYS 148.A N GLN 144.A O no hydrogen 3.296 N/A TRP 149.A N ASN 145.A O no hydrogen 2.948 N/A ALA 150.A N LEU 146.A O no hydrogen 2.737 N/A ASN 151.A N ARG 147.A O no hydrogen 3.177 N/A GLN 152.A N LYS 148.A O no hydrogen 3.125 N/A TYR 153.A N TRP 149.A O no hydrogen 2.649 N/A PHE 154.A N ALA 150.A O no hydrogen 2.851 N/A SER 155.A N ASN 151.A O no hydrogen 3.055 N/A SER 156.A N TYR 153.A O no hydrogen 3.050 N/A SER 156.A OG GLN 152.A O no hydrogen 2.763 N/A SER 156.A OG TYR 153.A O no hydrogen 3.543 N/A TYR 157.A N TYR 153.A O no hydrogen 2.874 N/A ILE 160.A N SER 158.A O no hydrogen 2.656 N/A SER 161.A OG ASP 163.A OD1 no hydrogen 2.355 N/A ASP 163.A N SER 161.A OG no hydrogen 3.234 N/A MET 164.A N SER 161.A O no hydrogen 2.753 N/A THR 166.A N ASP 179.A O no hydrogen 2.777 N/A LEU 168.A N ASP 201.A OD2 no hydrogen 2.802 N/A ASN 169.A N SER 203.A OG no hydrogen 3.289 N/A LYS 170.A N ALA 167.A O no hydrogen 2.980 N/A ALA 171.A N LEU 168.A O no hydrogen 2.813 N/A GLN 174.A N ALA 171.A O no hydrogen 2.976 N/A PHE 178.A N ALA 230.A O no hydrogen 3.010 N/A VAL 180.A N ILE 227.A O no hydrogen 2.876 N/A ALA 182.A N VAL 225.A O no hydrogen 3.090 N/A LYS 183.A N LYS 200.A O no hydrogen 3.076 N/A LYS 183.A NZ ARG 264.A O no hydrogen 2.876 N/A LYS 183.A NZ ILE 267.A O no hydrogen 2.926 N/A ILE 184.A N GLU 223.A O no hydrogen 2.649 N/A LEU 185.A N LYS 198.A O no hydrogen 2.727 N/A HIS 188.A N GLU 196.A O no hydrogen 3.048 N/A LEU 190.A N THR 194.A O no hydrogen 3.224 N/A THR 194.A OG1 ASN 195.A O no hydrogen 3.476 N/A ASN 195.A N SER 211.A O no hydrogen 2.734 N/A GLU 196.A N HIS 188.A O no hydrogen 2.692 N/A LEU 197.A N THR 209.A O no hydrogen 2.788 N/A LYS 198.A N GLN 186.A O no hydrogen 2.916 N/A LEU 199.A N PHE 207.A O no hydrogen 2.556 N/A LYS 200.A N LYS 183.A O no hydrogen 3.185 N/A LYS 200.A NZ GLN 268.A O no hydrogen 2.698 N/A SER 203.A N ASP 201.A OD1 no hydrogen 2.981 N/A SER 203.A OG ASP 201.A OD1 no hydrogen 2.670 N/A SER 203.A OG ASP 201.A OD2 no hydrogen 3.514 N/A GLY 204.A N ASP 201.A O no hydrogen 2.943 N/A GLN 205.A N SER 203.A OG no hydrogen 3.396 N/A PHE 207.A N LEU 199.A O no hydrogen 2.892 N/A TYR 208.A N LYS 240.A O no hydrogen 2.854 N/A THR 209.A N LEU 197.A O no hydrogen 3.155 N/A THR 209.A OG1 LEU 242.A O no hydrogen 3.222 N/A SER 211.A N ASN 195.A O no hydrogen 3.016 N/A LYS 213.A N TYR 193.A O no hydrogen 2.702 N/A LYS 213.A NZ GLU 189.A OE2 no hydrogen 2.496 N/A LYS 213.A NZ ASP 191.A O no hydrogen 2.993 N/A LYS 213.A NZ GLU 192.A O no hydrogen 3.533 N/A LYS 215.A NZ HIS 246.A O no hydrogen 2.634 N/A LYS 215.A NZ SER 248.A O no hydrogen 3.341 N/A PHE 216.A N LEU 212.A O no hydrogen 3.381 N/A HIS 218.A N HIS 218.A ND1 no hydrogen 2.669 N/A HIS 218.A NE2 ILE 250.A O no hydrogen 2.792 N/A GLY 222.A N ILE 184.A O no hydrogen 2.743 N/A GLU 223.A N ARG 220.A O no hydrogen 3.365 N/A VAL 224.A N GLU 223.A OE1 no hydrogen 2.627 N/A VAL 225.A N ALA 182.A O no hydrogen 2.817 N/A ARG 226.A N ILE 251.A O no hydrogen 2.683 N/A ARG 226.A NE ASP 25.A OD1 no hydrogen 2.651 N/A ARG 226.A NH1 MET 164.A O no hydrogen 3.343 N/A ARG 226.A NH2 ASP 25.A OD1 no hydrogen 3.398 N/A ARG 226.A NH2 ASP 25.A OD2 no hydrogen 3.340 N/A ARG 226.A NH2 ASP 179.A OD2 no hydrogen 2.929 N/A ILE 227.A N VAL 180.A O no hydrogen 2.964 N/A ARG 228.A N ASN 249.A O no hydrogen 2.913 N/A ARG 228.A NH1 ASP 25.A OD2 no hydrogen 2.982 N/A SER 229.A N ASP 179.A OD1 no hydrogen 2.731 N/A SER 229.A OG ASP 177.A OD1 no hydrogen 2.340 N/A ALA 230.A N PHE 178.A O no hydrogen 2.638 N/A ASP 233.A N VAL 241.A O no hydrogen 2.975 N/A THR 235.A N ASP 233.A OD1 no hydrogen 3.347 N/A SER 236.A N ASP 233.A O no hydrogen 2.888 N/A SER 236.A OG ASP 233.A O no hydrogen 2.809 N/A GLN 238.A N THR 237.A OG1 no hydrogen 2.495 N/A LYS 239.A NZ GLU 196.A OE1 no hydrogen 3.275 N/A LYS 239.A NZ GLU 196.A OE2 no hydrogen 3.382 N/A LYS 240.A NZ GLN 205.A OE1 no hydrogen 2.494 N/A LEU 242.A N TYR 208.A O no hydrogen 2.704 N/A ILE 243.A N THR 231.A O no hydrogen 2.909 N/A SER 245.A N SER 248.A OG no hydrogen 2.714 N/A SER 245.A OG HIS 246.A ND1 no hydrogen 3.019 N/A HIS 246.A N HIS 246.A ND1 no hydrogen 2.804 N/A SER 248.A N SER 245.A O no hydrogen 3.205 N/A SER 248.A OG SER 229.A O no hydrogen 2.628 N/A ASN 249.A N ARG 228.A O no hydrogen 3.193 N/A ASN 249.A ND2 ALA 26.A O no hydrogen 2.800 N/A ASN 249.A ND2 ILE 67.A O no hydrogen 3.007 N/A ILE 251.A N ARG 226.A O no hydrogen 2.881 N/A THR 252.A N HIS 68.A O no hydrogen 2.819 N/A THR 252.A OG1 HIS 68.A O no hydrogen 2.851 N/A ILE 254.A N ALA 70.A O no hydrogen 3.091 N/A GLN 255.A N ASP 106.A OD2 no hydrogen 2.947 N/A SER 256.A OG ASN 151.A OD1 no hydrogen 2.677 N/A SER 257.A N ILE 254.A O no hydrogen 3.024 N/A LYS 258.A N PHE 154.A O no hydrogen 2.719 N/A ALA 260.A N SER 257.A OG no hydrogen 3.038 N/A LYS 261.A N SER 257.A O no hydrogen 3.101 N/A GLU 262.A N LYS 258.A O no hydrogen 2.857 N/A LEU 263.A N LEU 259.A O no hydrogen 3.012 N/A ARG 264.A N ALA 260.A O no hydrogen 3.097 N/A ARG 264.A NE GLU 223.A OE1 no hydrogen 2.938 N/A ARG 264.A NE GLU 223.A OE2 no hydrogen 3.490 N/A ALA 265.A N LYS 261.A O no hydrogen 3.264 N/A LYS 266.A N GLU 262.A O no hydrogen 2.687 N/A ILE 267.A N LEU 263.A O no hydrogen 3.056 N/A GLN 268.A NE2 ALA 265.A O no hydrogen 3.159 N/A