Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iqq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 VAL 2.A O no hydrogen 2.874 N/A HIS 3.A N GLN 6.A OE1 no hydrogen 3.096 N/A HIS 3.A ND1 GLN 6.A OE1 no hydrogen 3.033 N/A ASN 5.A ND2 TYR 253.A O no hydrogen 3.452 N/A LYS 10.A N GLN 6.A O no hydrogen 2.926 N/A LYS 10.A NZ LYS 42.A O no hydrogen 3.185 N/A TYR 11.A N ASP 7.A O no hydrogen 3.286 N/A TYR 11.A OH MET 198.A O no hydrogen 2.472 N/A LEU 12.A N GLU 8.A O no hydrogen 2.995 N/A LYS 13.A N TYR 9.A O no hydrogen 2.865 N/A LYS 13.A NZ GLU 16.A OE1 no hydrogen 3.262 N/A GLN 14.A N LYS 10.A O no hydrogen 2.965 N/A VAL 15.A N TYR 11.A O no hydrogen 3.196 N/A GLU 16.A N LEU 12.A O no hydrogen 2.901 N/A GLN 17.A N LYS 13.A O no hydrogen 3.092 N/A ILE 18.A N GLN 14.A O no hydrogen 3.065 N/A LEU 19.A N VAL 15.A O no hydrogen 3.207 N/A ARG 20.A N GLU 16.A O no hydrogen 2.940 N/A GLU 21.A N GLN 17.A O no hydrogen 2.695 N/A GLY 22.A N ILE 18.A O no hydrogen 2.705 N/A THR 23.A N SER 35.A O no hydrogen 2.842 N/A ARG 25.A N THR 33.A O no hydrogen 3.062 N/A ASP 27.A N THR 31.A O no hydrogen 3.139 N/A THR 31.A N THR 29.A O no hydrogen 2.802 N/A THR 31.A OG1 ASP 27.A OD1 no hydrogen 2.613 N/A THR 33.A N ARG 25.A O no hydrogen 3.135 N/A ILE 34.A N VAL 236.A O no hydrogen 2.728 N/A SER 35.A N THR 23.A O no hydrogen 3.196 N/A SER 35.A OG ASP 233.A OD1 no hydrogen 2.712 N/A ILE 36.A N ALA 234.A O no hydrogen 2.881 N/A GLY 38.A N GLY 232.A O no hydrogen 2.819 N/A MET 39.A N LEU 231.A O no hydrogen 3.167 N/A SER 41.A N HIS 229.A O no hydrogen 2.965 N/A TYR 43.A N LEU 227.A O no hydrogen 2.779 N/A CYS 44.A N ASP 7.A OD2 no hydrogen 2.769 N/A LEU 45.A N GLY 225.A O no hydrogen 3.069 N/A THR 49.A OG1 ARG 46.A O no hydrogen 3.025 N/A ILE 50.A N PRO 256.A O no hydrogen 3.034 N/A LEU 52.A N ILE 50.A O no hydrogen 2.799 N/A THR 54.A N GLU 8.A OE1 no hydrogen 2.944 N/A THR 54.A N GLU 8.A OE2 no hydrogen 2.917 N/A THR 54.A OG1 GLU 8.A OE1 no hydrogen 2.806 N/A THR 54.A OG1 GLU 8.A OE2 no hydrogen 3.145 N/A THR 54.A OG1 TYR 253.A O no hydrogen 3.411 N/A THR 55.A N GLU 8.A OE2 no hydrogen 2.827 N/A THR 55.A OG1 GLU 8.A OE2 no hydrogen 2.861 N/A LYS 56.A NZ GLY 199.A O no hydrogen 3.429 N/A VAL 58.A N TYR 280.A OH no hydrogen 3.062 N/A LYS 61.A NZ LYS 83.A O no hydrogen 3.371 N/A VAL 63.A N TYR 59.A O no hydrogen 2.949 N/A LEU 64.A N TRP 60.A O no hydrogen 2.911 N/A GLU 65.A N LYS 61.A O no hydrogen 2.960 N/A GLU 66.A N GLY 62.A O no hydrogen 2.896 N/A LEU 67.A N VAL 63.A O no hydrogen 3.049 N/A LEU 68.A N LEU 64.A O no hydrogen 3.262 N/A TRP 69.A N GLU 65.A O no hydrogen 3.310 N/A TRP 69.A NE1 ASP 76.A O no hydrogen 2.850 N/A PHE 70.A N GLU 66.A O no hydrogen 2.765 N/A ILE 71.A N LEU 67.A O no hydrogen 2.852 N/A SER 72.A N LEU 68.A O no hydrogen 2.910 N/A SER 72.A OG LEU 68.A O no hydrogen 3.514 N/A SER 72.A OG TRP 69.A O no hydrogen 2.748 N/A GLY 73.A N PHE 70.A O no hydrogen 2.819 N/A SER 74.A N TRP 69.A O no hydrogen 3.404 N/A SER 74.A OG ASP 76.A O no hydrogen 3.414 N/A THR 75.A OG1 TYR 125.A OH no hydrogen 3.048 N/A ASP 76.A N SER 74.A OG no hydrogen 3.157 N/A GLY 77.A N GLY 108.A O no hydrogen 2.837 N/A LYS 78.A N ASP 76.A OD1 no hydrogen 2.922 N/A LYS 78.A NZ ASP 76.A OD1 no hydrogen 2.984 N/A LYS 78.A NZ GLU 106.A OE1 no hydrogen 3.410 N/A LYS 78.A NZ GLU 107.A O no hydrogen 2.690 N/A MET 81.A N GLY 77.A O no hydrogen 3.324 N/A GLU 82.A N LYS 78.A O no hydrogen 3.414 N/A LYS 83.A N LEU 80.A O no hydrogen 3.038 N/A ASN 84.A N MET 81.A O no hydrogen 2.932 N/A VAL 85.A N LEU 80.A O no hydrogen 2.986 N/A TRP 88.A NE1 GLU 66.A OE1 no hydrogen 2.928 N/A GLU 89.A N LYS 86.A O no hydrogen 2.807 N/A GLY 92.A N GLU 89.A O no hydrogen 3.033 N/A ASP 93.A N GLU 89.A O no hydrogen 3.061 N/A ARG 94.A NH1 THR 103.A O no hydrogen 3.251 N/A PHE 96.A N ASP 93.A OD1 no hydrogen 3.163 N/A LEU 97.A N ASP 93.A O no hydrogen 2.950 N/A ASP 98.A N ARG 94.A O no hydrogen 2.905 N/A ASN 99.A N ALA 95.A O no hydrogen 3.168 N/A GLY 101.A N ASP 98.A O no hydrogen 2.820 N/A PHE 102.A N LEU 97.A O no hydrogen 3.165 N/A ARG 105.A N PHE 102.A O no hydrogen 2.942 N/A ARG 105.A NH1 GLN 168.A O no hydrogen 2.992 N/A ARG 105.A NH2 GLN 168.A O no hydrogen 2.772 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.786 N/A GLY 108.A N GLY 92.A O no hydrogen 2.855 N/A ASP 109.A N GLU 106.A O no hydrogen 3.062 N/A LEU 110.A N THR 75.A O no hydrogen 3.171 N/A GLY 111.A N ASP 109.A OD2 no hydrogen 2.883 N/A VAL 113.A N GLY 111.A O no hydrogen 2.744 N/A GLN 117.A N VAL 113.A O no hydrogen 3.294 N/A GLN 117.A NE2 PRO 112.A O no hydrogen 2.882 N/A GLN 117.A NE2 ASP 165.A OD2 no hydrogen 2.787 N/A TRP 118.A N TYR 114.A O no hydrogen 2.810 N/A ARG 119.A NE ASP 138.A OD1 no hydrogen 3.203 N/A ARG 119.A NE ASP 138.A OD2 no hydrogen 3.286 N/A ARG 119.A NH1 ILE 71.A O no hydrogen 3.308 N/A ARG 119.A NH2 ASP 138.A OD1 no hydrogen 3.329 N/A ARG 119.A NH2 ASP 138.A OD2 no hydrogen 2.802 N/A HIS 120.A N PHE 116.A O no hydrogen 2.726 N/A PHE 121.A N VAL 137.A O no hydrogen 3.146 N/A ALA 123.A N HIS 120.A O no hydrogen 3.036 N/A TYR 125.A OH THR 75.A OG1 no hydrogen 3.048 N/A TYR 125.A OH ASP 109.A OD1 no hydrogen 3.278 N/A TYR 125.A OH ASP 109.A OD2 no hydrogen 2.598 N/A VAL 126.A N TYR 132.A OH no hydrogen 2.727 N/A CYS 128.A N ASP 109.A OD1 no hydrogen 2.653 N/A CYS 128.A SG ASP 109.A OD1 no hydrogen 3.311 N/A HIS 129.A N ASP 127.A OD1 no hydrogen 2.795 N/A HIS 129.A NE2 GLU 106.A OE1 no hydrogen 2.882 N/A THR 130.A N ASP 127.A O no hydrogen 3.299 N/A THR 130.A OG1 ASP 127.A O no hydrogen 3.378 N/A THR 130.A OG1 ASP 127.A OD1 no hydrogen 3.053 N/A TYR 132.A OH ASP 127.A O no hydrogen 2.781 N/A SER 133.A OG ASP 131.A OD1 no hydrogen 2.652 N/A GLN 135.A N TYR 132.A O no hydrogen 2.939 N/A VAL 137.A N PHE 121.A O no hydrogen 2.786 N/A GLN 139.A NE2 ILE 157.A O no hydrogen 3.524 N/A LEU 140.A N TRP 118.A O no hydrogen 3.093 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.953 N/A GLU 142.A N ASP 138.A O no hydrogen 3.135 N/A VAL 143.A N GLN 139.A O no hydrogen 3.028 N/A ARG 145.A N ALA 141.A O no hydrogen 2.866 N/A ARG 145.A NE GLU 142.A OE2 no hydrogen 2.814 N/A GLN 146.A N GLU 142.A O no hydrogen 3.035 N/A ILE 147.A N VAL 143.A O no hydrogen 2.874 N/A LYS 148.A N ILE 144.A O no hydrogen 3.238 N/A GLU 149.A N ARG 145.A O no hydrogen 3.032 N/A GLN 150.A N GLN 146.A O no hydrogen 2.967 N/A SER 153.A N GLN 150.A O no hydrogen 3.267 N/A ARG 155.A N SER 153.A OG no hydrogen 3.056 N/A MET 158.A N CYS 178.A O no hydrogen 3.016 N/A SER 159.A OG THR 176.A O no hydrogen 3.479 N/A ALA 160.A N THR 176.A O no hydrogen 2.703 N/A TRP 161.A N SER 159.A OG no hydrogen 3.120 N/A ASN 162.A ND2 GLN 117.A OE1 no hydrogen 2.794 N/A ASP 165.A N ASN 162.A O no hydrogen 2.836 N/A LEU 166.A N ASN 162.A O no hydrogen 2.974 N/A LEU 166.A N PRO 163.A O no hydrogen 3.338 N/A GLN 168.A N ASP 165.A O no hydrogen 3.023 N/A MET 169.A N LEU 166.A O no hydrogen 3.157 N/A VAL 170.A N LEU 110.A O no hydrogen 3.022 N/A CYS 174.A N TYR 114.A OH no hydrogen 2.870 N/A CYS 174.A SG SER 195.A O no hydrogen 3.583 N/A HIS 175.A ND1 TYR 209.A OH no hydrogen 2.794 N/A THR 176.A N TYR 192.A O no hydrogen 3.191 N/A THR 176.A OG1 TYR 192.A O no hydrogen 3.346 N/A CYS 178.A N MET 158.A O no hydrogen 2.884 N/A CYS 178.A SG MET 158.A O no hydrogen 3.847 N/A GLN 179.A N GLN 190.A O no hydrogen 2.721 N/A PHE 180.A N ILE 156.A O no hydrogen 2.859 N/A TYR 181.A N SER 188.A O no hydrogen 2.991 N/A ASP 183.A N GLU 186.A O no hydrogen 3.087 N/A GLU 186.A N ASP 183.A O no hydrogen 2.937 N/A LEU 187.A N LYS 223.A O no hydrogen 2.794 N/A SER 188.A N TYR 181.A O no hydrogen 2.834 N/A SER 188.A OG THR 226.A O no hydrogen 3.192 N/A CYS 189.A N THR 226.A O no hydrogen 2.969 N/A CYS 189.A SG GLN 179.A O no hydrogen 3.998 N/A GLN 190.A N GLN 179.A O no hydrogen 2.713 N/A GLN 190.A NE2 THR 230.A OG1 no hydrogen 2.654 N/A LEU 191.A N VAL 228.A O no hydrogen 2.821 N/A TYR 192.A N MET 177.A O no hydrogen 2.794 N/A GLN 193.A N THR 230.A O no hydrogen 2.717 N/A GLN 193.A NE2 SER 195.A O no hydrogen 2.718 N/A ARG 194.A N CYS 174.A O no hydrogen 3.086 N/A ARG 194.A NE PRO 173.A O no hydrogen 2.660 N/A ARG 194.A NH2 PRO 172.A O no hydrogen 3.014 N/A GLY 196.A N ASP 233.A O no hydrogen 2.975 N/A MET 198.A N HIS 235.A O no hydrogen 3.045 N/A GLY 199.A N ASP 197.A OD1 no hydrogen 3.211 N/A LEU 200.A N ASP 197.A O no hydrogen 3.118 N/A VAL 202.A N ASP 197.A O no hydrogen 3.245 N/A ASN 205.A N GLY 201.A O no hydrogen 2.944 N/A LEU 206.A N VAL 202.A O no hydrogen 2.901 N/A ALA 207.A N PRO 203.A O no hydrogen 3.318 N/A SER 208.A N PHE 204.A O no hydrogen 3.082 N/A TYR 209.A N ASN 205.A O no hydrogen 3.167 N/A TYR 209.A OH HIS 175.A ND1 no hydrogen 2.794 N/A GLY 210.A N LEU 206.A O no hydrogen 2.703 N/A LEU 211.A N ALA 207.A O no hydrogen 2.824 N/A LEU 212.A N SER 208.A O no hydrogen 2.850 N/A THR 213.A N TYR 209.A O no hydrogen 2.950 N/A THR 213.A OG1 TYR 209.A O no hydrogen 2.715 N/A HIS 214.A N GLY 210.A O no hydrogen 3.168 N/A HIS 214.A NE2 THR 49.A O no hydrogen 2.623 N/A MET 215.A N LEU 211.A O no hydrogen 2.905 N/A ILE 216.A N LEU 212.A O no hydrogen 3.033 N/A ALA 217.A N THR 213.A O no hydrogen 2.863 N/A LYS 218.A N HIS 214.A O no hydrogen 3.164 N/A VAL 219.A N MET 215.A O no hydrogen 3.097 N/A CYS 220.A N ALA 217.A O no hydrogen 2.937 N/A CYS 220.A SG ILE 216.A O no hydrogen 3.341 N/A LEU 222.A N ALA 217.A O no hydrogen 3.159 N/A LYS 223.A N GLY 185.A O no hydrogen 2.896 N/A GLY 225.A N LEU 187.A O no hydrogen 2.705 N/A THR 226.A N SER 188.A OG no hydrogen 2.684 N/A LEU 227.A N TYR 43.A O no hydrogen 2.800 N/A VAL 228.A N CYS 189.A O no hydrogen 2.670 N/A HIS 229.A N SER 41.A O no hydrogen 2.789 N/A HIS 229.A NE2 GLN 193.A OE1 no hydrogen 2.891 N/A THR 230.A N LEU 191.A O no hydrogen 2.872 N/A THR 230.A OG1 GLN 40.A OE1 no hydrogen 2.861 N/A LEU 231.A N MET 39.A O no hydrogen 3.023 N/A GLY 232.A N GLN 193.A O no hydrogen 2.721 N/A ASP 233.A N ARG 194.A O no hydrogen 2.756 N/A ALA 234.A N ILE 36.A O no hydrogen 2.908 N/A HIS 235.A N GLY 196.A O no hydrogen 3.118 N/A HIS 235.A ND1 ASP 233.A O no hydrogen 2.845 N/A VAL 236.A N ILE 34.A O no hydrogen 2.840 N/A SER 238.A N GLY 32.A O no hydrogen 2.883 N/A HIS 240.A N TYR 237.A O no hydrogen 2.991 N/A VAL 241.A N SER 238.A O no hydrogen 3.312 N/A LYS 245.A N VAL 241.A O no hydrogen 2.765 N/A ILE 246.A N ASP 242.A O no hydrogen 2.758 N/A GLN 247.A N ALA 243.A O no hydrogen 2.868 N/A GLN 247.A NE2 THR 55.A OG1 no hydrogen 3.097 N/A LEU 248.A N LEU 244.A O no hydrogen 2.883 N/A ARG 250.A N GLN 247.A O no hydrogen 3.215 N/A ARG 250.A NH1 THR 55.A O no hydrogen 2.665 N/A ARG 250.A NH1 PRO 284.A O no hydrogen 3.064 N/A ARG 250.A NH2 PRO 284.A O no hydrogen 2.805 N/A TYR 253.A N THR 54.A OG1 no hydrogen 2.908 N/A LYS 257.A N ASP 278.A O no hydrogen 3.262 N/A LYS 257.A NZ ASN 47.A O no hydrogen 3.049 N/A ILE 258.A N GLY 48.A O no hydrogen 2.647 N/A ARG 259.A N ALA 276.A O no hydrogen 2.782 N/A THR 261.A N MET 274.A O no hydrogen 2.970 N/A THR 261.A OG1 MET 274.A O no hydrogen 3.256 N/A ARG 262.A NH1 ASP 263.A O no hydrogen 2.846 N/A ARG 262.A NH1 ASP 269.A O no hydrogen 3.167 N/A ARG 262.A NH1 ASP 269.A OD2 no hydrogen 3.495 N/A ARG 262.A NH2 ASP 269.A O no hydrogen 2.784 N/A ARG 262.A NH2 THR 271.A OG1 no hydrogen 3.009 N/A ALA 265.A N ASP 269.A OD2 no hydrogen 3.390 N/A ASP 268.A N SER 266.A OG no hydrogen 3.333 N/A ASP 269.A N SER 266.A O no hydrogen 3.140 N/A THR 271.A OG1 ASP 273.A OD1 no hydrogen 3.182 N/A THR 271.A OG1 ASP 273.A OD2 no hydrogen 3.014 N/A MET 274.A N THR 271.A O no hydrogen 3.086 N/A ALA 276.A N ARG 259.A O no hydrogen 2.739 N/A ASP 278.A N LYS 257.A O no hydrogen 2.876 N/A TYR 280.A OH LEU 53.A O no hydrogen 2.695 N/A HIS 283.A N THR 54.A O no hydrogen 3.046 N/A HIS 283.A NE2 GLU 251.A O no hydrogen 2.697 N/A LYS 285.A NZ ILE 286.A O no hydrogen 3.512 N/A