Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7xqu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.169 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.523 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.962 N/A LEU 5.A N CYS 101.A O no hydrogen 2.966 N/A ARG 6.A N TYR 27.A O no hydrogen 2.880 N/A TYR 7.A N TYR 99.A O no hydrogen 2.951 N/A PHE 8.A N VAL 25.A O no hydrogen 3.030 N/A TYR 9.A N ARG 97.A O no hydrogen 2.761 N/A THR 10.A N ILE 23.A O no hydrogen 2.762 N/A ALA 11.A N ILE 95.A O no hydrogen 2.939 N/A ILE 12.A N ARG 21.A O no hydrogen 2.704 N/A SER 13.A N HIS 93.A O no hydrogen 2.971 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.903 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.154 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.905 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.240 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.839 N/A LEU 17.A N ARG 14.A O no hydrogen 2.905 N/A ARG 21.A N ILE 12.A O no hydrogen 2.744 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.112 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.491 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.818 N/A PHE 22.A N SER 38.A OG no hydrogen 3.122 N/A ILE 23.A N THR 10.A O no hydrogen 2.700 N/A SER 24.A N PHE 36.A O no hydrogen 2.917 N/A VAL 25.A N PHE 8.A O no hydrogen 3.057 N/A GLY 26.A N VAL 34.A O no hydrogen 2.919 N/A TYR 27.A N ARG 6.A O no hydrogen 2.838 N/A VAL 28.A N THR 31.A O no hydrogen 2.851 N/A ASP 29.A N SER 4.A O no hydrogen 2.779 N/A ASP 30.A N TYR 209.A OH no hydrogen 3.281 N/A THR 31.A N VAL 28.A O no hydrogen 2.900 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.483 N/A PHE 33.A N GLY 26.A O no hydrogen 2.756 N/A ARG 35.A N GLU 46.A O no hydrogen 3.113 N/A ARG 35.A NH1 GLU 46.A OE2 no hydrogen 3.012 N/A PHE 36.A N SER 24.A O no hydrogen 2.799 N/A SER 38.A N PHE 22.A O no hydrogen 3.039 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.038 N/A ALA 40.A N ASP 37.A O no hydrogen 3.161 N/A GLU 45.A N THR 64.A OG1 no hydrogen 3.014 N/A GLU 46.A N ARG 35.A O no hydrogen 3.126 N/A ARG 48.A N PHE 33.A O no hydrogen 2.836 N/A ARG 48.A NH1 PRO 47.A O no hydrogen 3.093 N/A ARG 48.A NH2 GLU 46.A OE1 no hydrogen 3.374 N/A MET 52.A N ALA 49.A O no hydrogen 3.005 N/A GLU 53.A N PRO 50.A O no hydrogen 3.411 N/A GLU 55.A N MET 52.A O no hydrogen 2.995 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.824 N/A TYR 59.A N GLY 56.A O no hydrogen 3.051 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.402 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.980 N/A ASP 61.A N PRO 57.A O no hydrogen 2.888 N/A ARG 62.A N GLU 58.A O no hydrogen 3.077 N/A ARG 62.A NH1 ASN 63.A OD1 no hydrogen 2.592 N/A ASN 63.A N TYR 59.A O no hydrogen 3.379 N/A ASN 63.A ND2 GLU 45.A OE2 no hydrogen 2.906 N/A THR 64.A N TRP 60.A O no hydrogen 2.857 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.745 N/A ARG 65.A N ASP 61.A O no hydrogen 3.115 N/A TYR 67.A N ASN 63.A O no hydrogen 2.810 N/A TYR 67.A OH GLU 45.A OE1 no hydrogen 2.773 N/A LEU 68.A N THR 64.A O no hydrogen 2.882 N/A ASP 69.A N ARG 65.A O no hydrogen 3.066 N/A THR 70.A N ILE 66.A O no hydrogen 2.812 N/A THR 70.A OG1 ILE 66.A O no hydrogen 2.977 N/A ALA 71.A N TYR 67.A O no hydrogen 2.923 N/A GLN 72.A N LEU 68.A O no hydrogen 3.272 N/A ILE 73.A N ASP 69.A O no hydrogen 3.039 N/A PHE 74.A N THR 70.A O no hydrogen 2.880 N/A ARG 75.A N ALA 71.A O no hydrogen 3.015 N/A ARG 75.A NE PRO 20.A O no hydrogen 2.814 N/A ARG 75.A NH1 GLN 72.A OE1 no hydrogen 2.865 N/A ARG 75.A NH2 PRO 20.A O no hydrogen 2.847 N/A VAL 76.A N GLN 72.A O no hydrogen 3.177 N/A ASP 77.A N ILE 73.A O no hydrogen 2.856 N/A LEU 78.A N PHE 74.A O no hydrogen 2.900 N/A ASN 79.A N ARG 75.A O no hydrogen 3.188 N/A THR 80.A N VAL 76.A O no hydrogen 2.912 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.218 N/A MET 81.A N ASP 77.A O no hydrogen 2.787 N/A LEU 82.A N LEU 78.A O no hydrogen 3.286 N/A ARG 83.A N THR 80.A O no hydrogen 2.995 N/A TYR 84.A N THR 80.A O no hydrogen 3.194 N/A TYR 85.A N MET 81.A O no hydrogen 3.003 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.235 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.749 N/A GLN 87.A N LEU 82.A O no hydrogen 2.902 N/A SER 90.A N SER 88.A OG no hydrogen 2.951 N/A SER 92.A OG SER 13.A O no hydrogen 2.612 N/A HIS 93.A N SER 13.A OG no hydrogen 3.214 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.502 N/A ASN 94.A N ASP 119.A OD1 no hydrogen 3.166 N/A ILE 95.A N ALA 11.A O no hydrogen 2.962 N/A GLN 96.A N SER 117.A OG no hydrogen 3.183 N/A ARG 97.A N TYR 9.A O no hydrogen 3.054 N/A ARG 97.A NE ASP 116.A OD1 no hydrogen 2.823 N/A ARG 97.A NE ASP 116.A OD2 no hydrogen 3.098 N/A ARG 97.A NH2 ASP 116.A OD2 no hydrogen 2.676 N/A MET 98.A N GLN 115.A O no hydrogen 2.933 N/A TYR 99.A N TYR 7.A O no hydrogen 3.152 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.521 N/A GLY 100.A N TYR 113.A O no hydrogen 3.229 N/A CYS 101.A N LEU 5.A O no hydrogen 2.972 N/A ASP 102.A N ARG 111.A O no hydrogen 2.833 N/A VAL 103.A N HIS 3.A O no hydrogen 2.846 N/A GLU 104.A N ARG 108.A O no hydrogen 2.772 N/A GLY 107.A N GLU 104.A O no hydrogen 2.638 N/A ARG 108.A NE ASP 106.A OD2 no hydrogen 3.341 N/A LEU 110.A N ASP 102.A O no hydrogen 2.660 N/A ARG 111.A N ASP 102.A O no hydrogen 3.156 N/A TYR 113.A N GLY 100.A O no hydrogen 3.151 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 2.406 N/A GLN 115.A N MET 98.A O no hydrogen 2.936 N/A ASP 116.A N ILE 124.A O no hydrogen 2.841 N/A SER 117.A N GLN 96.A O no hydrogen 2.859 N/A SER 117.A OG GLN 96.A OE1 no hydrogen 3.552 N/A TYR 118.A N LYS 121.A O no hydrogen 3.180 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.436 N/A ASP 119.A N ASN 94.A O no hydrogen 2.900 N/A LYS 121.A N TYR 118.A O no hydrogen 3.183 N/A TYR 123.A N ASP 116.A O no hydrogen 3.123 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.593 N/A ALA 125.A N THR 134.A O no hydrogen 3.121 N/A LEU 126.A N SER 114.A O no hydrogen 2.774 N/A ASN 127.A N SER 132.A O no hydrogen 3.009 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 3.003 N/A LEU 130.A N ASN 127.A O no hydrogen 2.805 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.101 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.036 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.288 N/A THR 134.A N ALA 125.A O no hydrogen 2.962 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.377 N/A ALA 136.A N TYR 123.A O no hydrogen 2.900 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.040 N/A GLN 141.A N ASP 137.A O no hydrogen 3.221 N/A GLN 141.A N THR 138.A O no hydrogen 2.907 N/A ILE 142.A N THR 138.A O no hydrogen 3.347 N/A THR 143.A N ALA 139.A O no hydrogen 3.145 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.593 N/A ARG 144.A N ALA 140.A O no hydrogen 2.798 N/A ARG 144.A NH1 TRP 133.A O no hydrogen 3.156 N/A ARG 145.A N GLN 141.A O no hydrogen 2.913 N/A ARG 145.A NH1 GLU 149.A OE2 no hydrogen 2.692 N/A LYS 146.A N ILE 142.A O no hydrogen 3.037 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 3.043 N/A TRP 147.A N THR 143.A O no hydrogen 2.824 N/A GLU 148.A N ARG 144.A O no hydrogen 2.682 N/A GLU 148.A N ARG 145.A O no hydrogen 3.032 N/A GLU 149.A N ARG 145.A O no hydrogen 3.137 N/A ALA 150.A N LYS 146.A O no hydrogen 3.208 N/A GLY 151.A N GLU 148.A O no hydrogen 3.273 N/A VAL 152.A N TRP 147.A O no hydrogen 3.029 N/A ARG 155.A N GLY 151.A O no hydrogen 3.289 N/A ARG 155.A NH2 ALA 150.A O no hydrogen 3.165 N/A TRP 156.A N VAL 152.A O no hydrogen 3.111 N/A ARG 157.A N ALA 153.A O no hydrogen 2.839 N/A ARG 157.A NH1 LEU 130.A O no hydrogen 2.916 N/A ASN 158.A N GLU 154.A O no hydrogen 2.992 N/A TYR 159.A N ARG 155.A O no hydrogen 3.132 N/A LEU 160.A N TRP 156.A O no hydrogen 2.613 N/A GLU 161.A N ARG 157.A O no hydrogen 2.971 N/A GLY 162.A N ASN 158.A O no hydrogen 2.772 N/A GLY 162.A N TYR 159.A O no hydrogen 3.219 N/A CYS 164.A N TYR 159.A O no hydrogen 2.868 N/A GLU 166.A N GLY 162.A O no hydrogen 3.073 N/A SER 167.A N LEU 163.A O no hydrogen 2.814 N/A SER 167.A OG LEU 163.A O no hydrogen 2.963 N/A LEU 168.A N CYS 164.A O no hydrogen 3.093 N/A ALA 169.A N VAL 165.A O no hydrogen 3.239 N/A LYS 170.A N GLU 166.A O no hydrogen 2.974 N/A TYR 171.A N SER 167.A O no hydrogen 2.860 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.402 N/A LEU 172.A N LEU 168.A O no hydrogen 2.815 N/A ASP 173.A N ALA 169.A O no hydrogen 3.210 N/A MET 174.A N LYS 170.A O no hydrogen 3.132 N/A GLY 175.A N TYR 171.A O no hydrogen 3.021 N/A LYS 176.A N ASP 173.A O no hydrogen 3.252 N/A LYS 176.A NZ ASP 173.A O no hydrogen 2.832 N/A THR 178.A N GLY 175.A O no hydrogen 3.159 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.291 N/A LEU 179.A N GLY 175.A O no hydrogen 2.609 N/A LEU 180.A N LYS 176.A O no hydrogen 3.063 N/A GLU 183.A N TYR 209.A O no hydrogen 2.728 N/A ASN 186.A N LEU 206.A O no hydrogen 2.804 N/A ARG 188.A N TRP 204.A O no hydrogen 3.302 N/A THR 190.A N ARG 202.A O no hydrogen 2.973 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.815 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.520 N/A ARG 191.A NE GLU 254.A OE2 no hydrogen 2.921 N/A ARG 191.A NH2 GLU 254.A OE2 no hydrogen 3.389 N/A HIS 192.A N THR 200.A O no hydrogen 2.888 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.815 N/A ILE 194.A N GLU 198.A O no hydrogen 3.005 N/A SER 195.A N GLU 198.A O no hydrogen 3.157 N/A ASP 196.A N ASP 196.A OD1 no hydrogen 2.340 N/A ARG 197.A N SER 195.A OG no hydrogen 3.130 N/A ARG 197.A NH2 ASP 196.A OD1 no hydrogen 2.511 N/A GLU 198.A N SER 195.A OG no hydrogen 3.216 N/A VAL 199.A N VAL 249.A O no hydrogen 2.772 N/A THR 200.A N HIS 192.A O no hydrogen 2.814 N/A LEU 201.A N VAL 247.A O no hydrogen 2.936 N/A ARG 202.A N THR 190.A O no hydrogen 3.017 N/A CYS 203.A N ALA 245.A O no hydrogen 2.756 N/A TRP 204.A N ARG 188.A O no hydrogen 2.790 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 3.040 N/A ALA 205.A N LYS 243.A O no hydrogen 2.991 N/A LEU 206.A N ASN 186.A O no hydrogen 2.882 N/A GLY 207.A N PHE 241.A O no hydrogen 2.732 N/A PHE 208.A N PHE 241.A O no hydrogen 3.328 N/A TYR 209.A N GLU 183.A O no hydrogen 3.178 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.911 N/A THR 214.A N GLN 262.A O no hydrogen 3.193 N/A THR 216.A N HIS 260.A O no hydrogen 3.123 N/A THR 216.A OG1 HIS 260.A O no hydrogen 3.496 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.881 N/A GLN 218.A N THR 258.A O no hydrogen 2.830 N/A GLN 218.A NE2 GLN 222.A O no hydrogen 2.339 N/A ARG 219.A NH2 GLU 253.A OE1 no hydrogen 3.533 N/A ASP 220.A N ARG 256.A O no hydrogen 3.002 N/A GLN 226.A N TRP 217.A O no hydrogen 2.796 N/A GLU 229.A N ALA 246.A O no hydrogen 2.815 N/A VAL 231.A N TRP 244.A O no hydrogen 3.269 N/A ARG 234.A N GLN 242.A O no hydrogen 2.976 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.918 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.176 N/A ALA 236.A N THR 240.A O no hydrogen 2.845 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.061 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.591 N/A GLN 242.A N ARG 234.A O no hydrogen 2.968 N/A LYS 243.A N ALA 205.A O no hydrogen 3.132 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.733 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 2.864 N/A ALA 245.A N CYS 203.A O no hydrogen 3.045 N/A ALA 246.A N GLU 229.A O no hydrogen 2.781 N/A VAL 247.A N LEU 201.A O no hydrogen 2.954 N/A VAL 249.A N VAL 199.A O no hydrogen 2.700 N/A SER 251.A N ARG 197.A O no hydrogen 2.829 N/A SER 251.A OG ASP 196.A O no hydrogen 3.174 N/A GLU 253.A N PRO 250.A O no hydrogen 2.920 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.943 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.391 N/A ARG 256.A N GLU 253.A O no hydrogen 2.998 N/A TYR 257.A N GLU 254.A O no hydrogen 3.367 N/A THR 258.A N GLN 218.A O no hydrogen 2.838 N/A CYS 259.A N LEU 272.A O no hydrogen 2.861 N/A CYS 259.A SG THR 216.A O no hydrogen 3.708 N/A HIS 260.A N THR 216.A O no hydrogen 2.822 N/A VAL 261.A N ILE 270.A O no hydrogen 3.007 N/A GLN 262.A N THR 214.A O no hydrogen 3.087 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 3.009 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.065 N/A LEU 266.A N HIS 263.A O no hydrogen 2.985 N/A ILE 270.A N VAL 261.A O no hydrogen 3.125 N/A LEU 272.A N CYS 259.A O no hydrogen 3.103 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 3.546 N/A