Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qya_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N PHE 25.A O no hydrogen 3.140 N/A VAL 5.A N ALA 287.A O no hydrogen 2.838 N/A TYR 6.A N VAL 23.A O no hydrogen 2.804 N/A HIS 7.A N PHE 285.A O no hydrogen 3.018 N/A VAL 8.A N ALA 21.A O no hydrogen 2.929 N/A ASP 9.A N VAL 282.A O no hydrogen 3.021 N/A ALA 10.A N ASN 19.A O no hydrogen 2.878 N/A PHE 11.A N THR 280.A O no hydrogen 2.796 N/A GLN 14.A N THR 12.A OG1 no hydrogen 3.013 N/A PHE 16.A N ASP 9.A OD2 no hydrogen 2.869 N/A ARG 17.A N GLN 14.A O no hydrogen 3.220 N/A ARG 17.A NH1 GLY 256.A O no hydrogen 2.863 N/A GLY 18.A N ASP 258.A O no hydrogen 2.964 N/A ASN 19.A N ALA 10.A O no hydrogen 2.989 N/A ASN 19.A ND2 ASP 218.A OD1 no hydrogen 3.088 N/A ASN 19.A ND2 VAL 220.A O no hydrogen 2.893 N/A SER 20.A OG HIS 44.A ND1 no hydrogen 3.230 N/A ALA 21.A N VAL 8.A O no hydrogen 2.711 N/A GLY 22.A N GLU 46.A O no hydrogen 3.227 N/A VAL 23.A N TYR 6.A O no hydrogen 3.039 N/A VAL 24.A N ALA 48.A O no hydrogen 2.777 N/A PHE 25.A N GLN 4.A O no hydrogen 3.228 N/A ALA 27.A N LEU 50.A O no hydrogen 3.152 N/A LEU 30.A N ALA 27.A O no hydrogen 3.374 N/A SER 31.A N GLN 34.A OE1 no hydrogen 3.217 N/A SER 31.A OG GLN 34.A OE1 no hydrogen 3.407 N/A GLN 34.A N SER 31.A OG no hydrogen 3.397 N/A MET 35.A N SER 31.A O no hydrogen 3.017 N/A GLN 36.A N GLU 32.A O no hydrogen 3.020 N/A GLN 36.A NE2 GLN 36.A O no hydrogen 2.918 N/A GLN 36.A NE2 THR 64.A O no hydrogen 2.925 N/A LEU 37.A N ALA 33.A O no hydrogen 3.050 N/A ILE 38.A N GLN 34.A O no hydrogen 2.993 N/A ALA 39.A N MET 35.A O no hydrogen 2.954 N/A ARG 40.A N GLN 36.A O no hydrogen 2.996 N/A GLU 41.A N LEU 37.A O no hydrogen 2.903 N/A LEU 42.A N ILE 38.A O no hydrogen 2.900 N/A GLY 43.A N ALA 39.A O no hydrogen 3.056 N/A HIS 44.A ND1 SER 20.A OG no hydrogen 3.230 N/A THR 47.A N PHE 63.A O no hydrogen 2.897 N/A ALA 48.A N GLY 22.A O no hydrogen 2.803 N/A PHE 49.A N ARG 61.A O no hydrogen 2.921 N/A LEU 50.A N VAL 24.A O no hydrogen 3.109 N/A LEU 51.A N ARG 59.A O no hydrogen 2.895 N/A HIS 52.A N ASP 28.A OD2 no hydrogen 3.368 N/A SER 53.A OG SER 56.A OG no hydrogen 2.519 N/A SER 56.A OG SER 53.A OG no hydrogen 2.519 N/A SER 56.A OG VAL 58.A O no hydrogen 3.469 N/A SER 56.A OG THR 95.A OG1 no hydrogen 3.119 N/A ARG 59.A N LEU 51.A O no hydrogen 3.329 N/A ILE 60.A N THR 95.A O no hydrogen 3.304 N/A ARG 61.A N PHE 49.A O no hydrogen 3.095 N/A ARG 61.A NE GLU 68.A OE1 no hydrogen 2.898 N/A ARG 61.A NH2 GLU 68.A OE1 no hydrogen 3.409 N/A ARG 61.A NH2 GLU 68.A OE2 no hydrogen 2.979 N/A TYR 62.A OH THR 74.A OG1 no hydrogen 3.065 N/A TYR 62.A OH GLN 94.A OE1 no hydrogen 2.555 N/A PHE 63.A N THR 47.A O no hydrogen 3.001 N/A THR 64.A N VAL 67.A O no hydrogen 2.811 N/A THR 64.A OG1 THR 66.A OG1 no hydrogen 3.401 N/A THR 64.A OG1 VAL 67.A O no hydrogen 3.217 N/A THR 66.A N THR 64.A OG1 no hydrogen 3.220 N/A THR 66.A OG1 THR 64.A OG1 no hydrogen 3.401 N/A VAL 67.A N THR 64.A OG1 no hydrogen 3.121 N/A VAL 69.A N TYR 62.A O no hydrogen 2.992 N/A HIS 72.A NE2 SER 20.A O no hydrogen 3.140 N/A THR 74.A OG1 TYR 62.A OH no hydrogen 3.065 N/A ALA 76.A N HIS 72.A O no hydrogen 3.181 N/A ALA 77.A N ALA 73.A O no hydrogen 2.845 N/A HIS 78.A N THR 74.A O no hydrogen 3.131 N/A TYR 79.A N VAL 75.A O no hydrogen 2.902 N/A TYR 79.A OH ASP 109.A OD1 no hydrogen 2.851 N/A VAL 80.A N ALA 76.A O no hydrogen 2.953 N/A ARG 81.A N ALA 77.A O no hydrogen 2.954 N/A ALA 82.A N HIS 78.A O no hydrogen 2.895 N/A LYS 83.A N TYR 79.A O no hydrogen 2.962 N/A LYS 83.A NZ ASP 108.A O no hydrogen 3.049 N/A VAL 84.A N VAL 80.A O no hydrogen 2.966 N/A LEU 85.A N ARG 81.A O no hydrogen 2.984 N/A LEU 87.A N ALA 82.A O no hydrogen 3.089 N/A CYS 90.A N ILE 103.A O no hydrogen 3.091 N/A CYS 90.A SG GLY 88.A O no hydrogen 3.571 N/A ILE 92.A N VAL 101.A O no hydrogen 2.766 N/A GLN 94.A N HIS 99.A O no hydrogen 2.971 N/A THR 95.A N VAL 58.A O no hydrogen 3.096 N/A THR 95.A OG1 SER 56.A OG no hydrogen 3.119 N/A HIS 99.A N GLN 94.A O no hydrogen 2.874 N/A VAL 101.A N ILE 92.A O no hydrogen 2.831 N/A THR 102.A N SER 113.A O no hydrogen 2.854 N/A ILE 103.A N CYS 90.A O no hydrogen 2.927 N/A GLU 104.A N ARG 111.A O no hydrogen 2.934 N/A LYS 105.A N ASN 89.A OD1 no hydrogen 2.777 N/A LYS 105.A NZ ASP 108.A OD1 no hydrogen 3.005 N/A HIS 106.A N ASP 109.A O no hydrogen 2.990 N/A ASP 109.A N HIS 106.A O no hydrogen 3.021 N/A TYR 110.A N ASP 109.A OD1 no hydrogen 2.849 N/A TYR 110.A OH LEU 87.A O no hydrogen 2.599 N/A ARG 111.A N GLU 104.A O no hydrogen 2.873 N/A ARG 111.A NH1 SER 278.A OG.B no hydrogen 3.054 N/A ILE 112.A N GLY 279.A O no hydrogen 2.961 N/A SER 113.A N THR 102.A O no hydrogen 2.804 N/A SER 113.A OG SER 278.A OG.A no hydrogen 2.703 N/A LEU 114.A N ILE 277.A O no hydrogen 2.774 N/A GLU 115.A N ARG 100.A O no hydrogen 3.077 N/A GLN 116.A N VAL 275.A O no hydrogen 2.878 N/A GLN 116.A NE2 GLY 222.A O no hydrogen 3.128 N/A GLY 117.A N THR 155.A O no hydrogen 2.961 N/A GLY 120.A N THR 154.A O no hydrogen 2.996 N/A GLU 122.A N VAL 152.A O no hydrogen 3.045 N/A LEU 125.A N ILE 150.A O no hydrogen 2.853 N/A ARG 130.A NE GLU 141.A OE1 no hydrogen 3.320 N/A ARG 130.A NE GLU 141.A OE2 no hydrogen 2.785 N/A ARG 130.A NH1 LEU 148.A O no hydrogen 3.312 N/A ARG 130.A NH2 GLU 141.A OE1 no hydrogen 2.773 N/A ALA 131.A N GLY 127.A O no hydrogen 3.034 N/A ALA 132.A N GLU 128.A O no hydrogen 2.858 N/A ILE 133.A N THR 129.A O no hydrogen 3.081 N/A ILE 134.A N ARG 130.A O no hydrogen 2.969 N/A ASN 135.A N ALA 131.A O no hydrogen 2.899 N/A ALA 136.A N ALA 132.A O no hydrogen 3.040 N/A LEU 137.A N ILE 133.A O no hydrogen 3.303 N/A LEU 137.A N ILE 134.A O no hydrogen 3.217 N/A HIS 138.A N ASN 135.A O no hydrogen 2.988 N/A LEU 139.A N ILE 134.A O no hydrogen 3.083 N/A THR 140.A N ASP 143.A OD2 no hydrogen 2.933 N/A ASP 142.A N THR 140.A OG1 no hydrogen 3.320 N/A ASP 143.A N THR 140.A O no hydrogen 2.996 N/A ILE 144.A N GLU 141.A O no hydrogen 3.135 N/A LEU 145.A N PRO 163.A O no hydrogen 2.932 N/A GLN 151.A N MET 161.A O no hydrogen 3.233 N/A GLN 151.A NE2 GLU 122.A O no hydrogen 2.929 N/A ALA 153.A N LYS 159.A O no hydrogen 2.963 N/A THR 154.A N GLY 120.A O no hydrogen 2.970 N/A THR 155.A OG1 GLN 116.A OE1 no hydrogen 2.523 N/A GLY 156.A N THR 154.A OG1 no hydrogen 3.060 N/A LYS 159.A N ALA 153.A O no hydrogen 3.005 N/A LYS 159.A NZ HIS 157.A O no hydrogen 3.055 N/A LYS 159.A NZ SER 158.A O no hydrogen 3.200 N/A VAL 160.A N GLY 191.A O no hydrogen 2.835 N/A MET 161.A N GLN 151.A O no hydrogen 2.828 N/A ILE 162.A N PHE 193.A O no hydrogen 3.062 N/A LEU 164.A N PHE 195.A O no hydrogen 2.845 N/A LYS 165.A N ASP 143.A O no hydrogen 3.006 N/A LYS 165.A NZ ASP 142.A O no hydrogen 2.820 N/A LYS 165.A NZ ASP 142.A OD2 no hydrogen 3.443 N/A VAL 168.A N LYS 165.A O no hydrogen 3.184 N/A ALA 172.A N ASP 169.A O no hydrogen 3.064 N/A LEU 173.A N ILE 170.A O no hydrogen 3.397 N/A ASP 176.A N ALA 136.A O no hydrogen 2.907 N/A ALA 179.A N ASP 176.A OD1 no hydrogen 3.073 N/A LEU 180.A N ASP 176.A O no hydrogen 3.125 N/A THR 181.A N LEU 177.A O no hydrogen 3.007 N/A THR 181.A OG1 LEU 177.A O no hydrogen 3.129 N/A ALA 182.A N ASN 178.A O no hydrogen 2.999 N/A ILE 183.A N ALA 179.A O no hydrogen 3.024 N/A SER 184.A N LEU 180.A O no hydrogen 2.856 N/A SER 184.A OG LEU 180.A O no hydrogen 3.307 N/A SER 184.A OG CYS 189.A O no hydrogen 2.807 N/A LYS 185.A N THR 181.A O no hydrogen 3.366 N/A LYS 186.A N ILE 183.A O no hydrogen 2.961 N/A ILE 187.A N ILE 183.A O no hydrogen 3.000 N/A GLY 188.A N SER 184.A O no hydrogen 3.016 N/A CYS 189.A SG SER 158.A O no hydrogen 3.334 N/A CYS 189.A SG SER 158.A OG no hydrogen 3.601 N/A CYS 189.A SG GLY 191.A O no hydrogen 3.658 N/A PHE 192.A N PHE 209.A O no hydrogen 2.847 N/A PHE 193.A N VAL 160.A O no hydrogen 2.774 N/A PHE 195.A N ILE 162.A O no hydrogen 3.091 N/A GLN 196.A N ASP 205.A O no hydrogen 2.898 N/A GLN 196.A NE2 LYS 165.A O no hydrogen 2.980 N/A GLN 196.A NE2 VAL 168.A O no hydrogen 2.950 N/A ARG 198.A N GLU 203.A O no hydrogen 2.885 N/A ARG 198.A NE ASP 205.A OD2 no hydrogen 2.725 N/A ARG 198.A NH2 ASP 205.A OD1 no hydrogen 2.973 N/A ARG 198.A NH2 ASP 205.A OD2 no hydrogen 3.523 N/A LYS 201.A N ARG 198.A O no hydrogen 3.037 N/A ASN 202.A ND2 ARG 246.A O no hydrogen 3.580 N/A THR 204.A N LYS 248.A O no hydrogen 3.044 N/A ASP 205.A N GLN 196.A O no hydrogen 2.978 N/A GLY 206.A N HIS 250.A O no hydrogen 3.038 N/A ARG 207.A N PRO 194.A O no hydrogen 3.012 N/A ARG 207.A NE GLU 217.A OE2 no hydrogen 2.939 N/A ARG 207.A NH1 ILE 170.A O no hydrogen 2.899 N/A ARG 207.A NH1 LEU 173.A O no hydrogen 2.951 N/A ARG 207.A NH2 GLU 217.A OE1 no hydrogen 2.950 N/A PHE 209.A N PHE 192.A O no hydrogen 2.848 N/A SER 210.A N ILE 215.A O no hydrogen 3.206 N/A SER 210.A N VAL 216.A O no hydrogen 3.151 N/A SER 210.A OG ILE 215.A O no hydrogen 2.837 N/A ILE 213.A N SER 210.A O no hydrogen 3.311 N/A GLY 214.A N PRO 211.A O no hydrogen 3.252 N/A ASP 218.A N MET 208.A O no hydrogen 3.175 N/A THR 221.A N GLN 251.A OE1 no hydrogen 3.058 N/A THR 221.A OG1 ASP 218.A OD2 no hydrogen 2.638 N/A ALA 224.A N THR 221.A O no hydrogen 3.214 N/A ASN 225.A N THR 221.A O no hydrogen 3.185 N/A ASN 225.A ND2 THR 221.A O no hydrogen 2.989 N/A ASN 225.A ND2 GLN 251.A OE1 no hydrogen 2.790 N/A GLY 226.A N GLY 222.A O no hydrogen 3.050 N/A MET 228.A N ALA 224.A O no hydrogen 3.048 N/A GLY 229.A N ASN 225.A O no hydrogen 3.079 N/A ALA 230.A N GLY 226.A O no hydrogen 3.197 N/A TRP 231.A N PRO 227.A O no hydrogen 2.810 N/A TRP 231.A NE1 GLN 151.A OE1 no hydrogen 2.914 N/A LEU 232.A N MET 228.A O no hydrogen 2.952 N/A VAL 233.A N GLY 229.A O no hydrogen 3.264 N/A HIS 234.A N ALA 230.A O no hydrogen 2.937 N/A HIS 234.A ND1 GLN 271.A OE1 no hydrogen 2.745 N/A HIS 235.A N TRP 231.A O no hydrogen 2.930 N/A HIS 235.A NE2 GLN 151.A OE1 no hydrogen 2.757 N/A ASN 236.A N VAL 233.A O no hydrogen 3.009 N/A VAL 237.A N LEU 232.A O no hydrogen 2.942 N/A GLY 242.A N HIS 240.A ND1 no hydrogen 2.867 N/A ASN 243.A N ASP 241.A OD1 no hydrogen 2.936 N/A VAL 244.A N ASP 241.A OD1 no hydrogen 3.173 N/A LEU 245.A N VAL 265.A O no hydrogen 2.975 N/A VAL 247.A N VAL 263.A O no hydrogen 2.860 N/A LYS 248.A N ASN 202.A O no hydrogen 2.974 N/A GLY 249.A N ILE 261.A O no hydrogen 2.732 N/A HIS 250.A N THR 204.A O no hydrogen 2.789 N/A HIS 250.A NE2 GLU 203.A OE1 no hydrogen 2.865 N/A GLN 251.A N GLY 259.A O no hydrogen 3.212 N/A GLN 251.A NE2 ASP 218.A O no hydrogen 2.956 N/A GLN 251.A NE2 THR 221.A OG1 no hydrogen 2.875 N/A ARG 253.A NE ASP 171.A OD1 no hydrogen 3.319 N/A ARG 253.A NE ASP 171.A OD2 no hydrogen 2.777 N/A ARG 253.A NH1 ASP 205.A OD1 no hydrogen 3.089 N/A ARG 253.A NH2 ASP 171.A OD1 no hydrogen 3.083 N/A LEU 255.A N GLY 252.A O no hydrogen 3.194 N/A GLY 256.A N ARG 253.A O no hydrogen 3.035 N/A ARG 257.A N GLY 252.A O no hydrogen 2.931 N/A ARG 257.A NE GLY 18.A O no hydrogen 2.868 N/A ARG 257.A NH2 ARG 17.A O no hydrogen 2.971 N/A GLY 259.A N GLN 251.A O no hydrogen 2.796 N/A MET 260.A N PHE 11.A O no hydrogen 2.863 N/A ILE 261.A N GLY 249.A O no hydrogen 2.828 N/A GLU 262.A N SER 278.A O no hydrogen 2.964 N/A VAL 263.A N VAL 247.A O no hydrogen 2.669 N/A THR 264.A N THR 276.A O no hydrogen 2.872 N/A VAL 265.A N LEU 245.A O no hydrogen 2.784 N/A THR 266.A N LYS 274.A O no hydrogen 2.911 N/A ILE 267.A N ASN 243.A O no hydrogen 2.828 N/A ARG 268.A N GLN 271.A O no hydrogen 2.960 N/A GLN 271.A N ARG 268.A O no hydrogen 3.065 N/A GLU 273.A N THR 266.A O no hydrogen 2.846 N/A THR 276.A N THR 264.A O no hydrogen 2.933 N/A ILE 277.A N LEU 114.A O no hydrogen 2.996 N/A SER 278.A N GLU 262.A O no hydrogen 2.944 N/A SER 278.A OG.A SER 113.A OG no hydrogen 2.703 N/A GLY 279.A N ILE 112.A O no hydrogen 3.090 N/A THR 280.A OG1 TYR 110.A O no hydrogen 2.851 N/A THR 280.A OG1 ALA 281.A O no hydrogen 3.567 N/A ALA 281.A N THR 280.A OG1 no hydrogen 2.796 N/A VAL 282.A N ASP 9.A O no hydrogen 2.956 N/A LEU 284.A N HIS 7.A O no hydrogen 2.875 N/A HIS 286.A ND1 GLN 4.A OE1 no hydrogen 3.369 N/A ALA 287.A N VAL 5.A O no hydrogen 3.014 N/A TRP 289.A N PRO 3.A O no hydrogen 3.450 N/A