Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qwb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N TYR 24.A O no hydrogen 2.859 N/A GLN 5.A NE2 PRO 25.A O no hydrogen 3.110 N/A GLN 5.A NE2 TYR 98.A O no hydrogen 3.177 N/A LYS 6.A N GLN 97.A OE1 no hydrogen 2.927 N/A LYS 6.A NZ ASP 23.A OD1 no hydrogen 2.705 N/A VAL 7.A N GLU 22.A O no hydrogen 2.973 N/A ILE 8.A N PHE 95.A O no hydrogen 2.914 N/A LEU 9.A N LYS 20.A O no hydrogen 3.005 N/A ILE 10.A N TYR 61.A O no hydrogen 2.936 N/A GLY 14.A N ARG 51.A O no hydrogen 2.911 N/A TYR 16.A OH GLU 316.A OE1 no hydrogen 2.747 N/A VAL 18.A N GLY 15.A O no hydrogen 3.104 N/A ILE 19.A N TYR 16.A O no hydrogen 3.186 N/A LYS 20.A N LEU 9.A O no hydrogen 2.890 N/A LYS 20.A NZ ASP 17.A O no hydrogen 3.228 N/A GLU 22.A N VAL 7.A O no hydrogen 3.018 N/A TYR 24.A N GLN 5.A O no hydrogen 2.818 N/A VAL 26.A N GLU 3.A O no hydrogen 3.022 N/A SER 30.A N GLU 33.A OE1 no hydrogen 2.892 N/A GLU 33.A N SER 30.A O no hydrogen 3.149 N/A LEU 34.A N ILE 101.A O no hydrogen 2.762 N/A LEU 35.A N ALA 73.A O no hydrogen 2.744 N/A ILE 36.A N SER 99.A O no hydrogen 2.835 N/A LYS 37.A N THR 70.A O no hydrogen 2.885 N/A LYS 37.A NZ GLN 330.A OXT no hydrogen 2.805 N/A ASN 38.A N GLN 97.A O no hydrogen 2.787 N/A ASN 38.A ND2 ALA 96.A O no hydrogen 2.991 N/A ASN 38.A ND2 SER 99.A OG no hydrogen 2.999 N/A LYS 39.A N SER 68.A O no hydrogen 2.858 N/A LYS 39.A NZ ASP 116.A OD2 no hydrogen 3.156 N/A TYR 40.A N SER 68.A O no hydrogen 3.252 N/A THR 41.A N LEU 326.A O no hydrogen 2.966 N/A THR 41.A OG1 GLU 66.A O no hydrogen 2.554 N/A THR 41.A OG1 THR 94.A O no hydrogen 3.505 N/A VAL 43.A N LEU 324.A O no hydrogen 2.905 N/A ASN 44.A ND2 GLU 66.A OE2 no hydrogen 2.863 N/A GLU 47.A N ASN 44.A O no hydrogen 3.229 N/A SER 48.A N TYR 45.A O no hydrogen 2.956 N/A SER 48.A OG TYR 45.A O no hydrogen 2.785 N/A TYR 49.A N ILE 46.A O no hydrogen 2.911 N/A PHE 50.A N ILE 46.A O no hydrogen 3.422 N/A ARG 51.A N GLU 47.A O no hydrogen 2.976 N/A ARG 51.A NE GLY 14.A O no hydrogen 2.971 N/A ARG 51.A NH1 GLU 316.A OE2 no hydrogen 2.784 N/A ARG 51.A NH2 GLU 316.A OE1 no hydrogen 2.867 N/A LYS 52.A N SER 48.A O no hydrogen 2.924 N/A GLY 53.A N PHE 50.A O no hydrogen 3.296 N/A TYR 55.A N TYR 49.A O no hydrogen 3.070 N/A LYS 59.A NZ CYS 57.A O no hydrogen 2.937 N/A TYR 61.A N ILE 10.A O no hydrogen 2.881 N/A LEU 63.A N ILE 8.A O no hydrogen 3.092 N/A GLY 64.A N GLU 47.A OE2 no hydrogen 2.927 N/A ARG 65.A NE GLU 47.A OE2 no hydrogen 2.885 N/A ARG 65.A NH1 TYR 61.A OH no hydrogen 3.115 N/A ARG 65.A NH2 GLU 47.A OE1 no hydrogen 2.880 N/A ARG 65.A NH2 GLU 47.A OE2 no hydrogen 3.563 N/A ARG 65.A NH2 TYR 61.A OH no hydrogen 2.858 N/A ALA 67.A N TYR 89.A O no hydrogen 3.017 N/A SER 68.A N TYR 40.A O no hydrogen 3.010 N/A SER 68.A OG LEU 119.A O no hydrogen 2.630 N/A GLY 69.A N VAL 87.A O no hydrogen 2.986 N/A THR 70.A N LYS 37.A O no hydrogen 2.989 N/A VAL 71.A N ASP 85.A O no hydrogen 2.919 N/A VAL 72.A N LEU 35.A O no hydrogen 2.844 N/A ALA 73.A N LEU 35.A O no hydrogen 3.325 N/A GLY 75.A N GLU 33.A O no hydrogen 2.852 N/A GLY 77.A N GLU 31.A O no hydrogen 2.815 N/A VAL 78.A N GLY 75.A O no hydrogen 3.287 N/A ASN 80.A ND2 SER 103.A O no hydrogen 3.036 N/A GLU 82.A N ASP 85.A OD2 no hydrogen 2.577 N/A GLY 84.A N VAL 71.A O no hydrogen 2.910 N/A ASP 85.A N GLU 82.A O no hydrogen 3.067 N/A GLN 86.A NE2 THR 114.A O no hydrogen 2.611 N/A VAL 87.A N GLY 69.A O no hydrogen 2.816 N/A ALA 88.A N MET 108.A O no hydrogen 3.171 N/A TYR 89.A N ALA 67.A O no hydrogen 2.935 N/A TYR 89.A OH ASN 38.A OD1 no hydrogen 2.518 N/A ILE 90.A N PRO 106.A O no hydrogen 2.990 N/A SER 91.A N ARG 65.A O no hydrogen 2.906 N/A SER 91.A OG ASN 92.A O no hydrogen 2.921 N/A THR 94.A OG1 GLU 66.A O no hydrogen 3.439 N/A THR 94.A OG1 SER 91.A O no hydrogen 2.969 N/A PHE 95.A N LEU 63.A O no hydrogen 2.993 N/A GLN 97.A N LYS 6.A O no hydrogen 3.297 N/A GLN 97.A NE2 PRO 329.A O no hydrogen 2.958 N/A TYR 98.A N GLN 5.A OE1 no hydrogen 2.719 N/A SER 99.A N ILE 36.A O no hydrogen 2.961 N/A SER 99.A OG SER 93.A O no hydrogen 2.756 N/A LYS 100.A NZ SER 28.A O no hydrogen 3.267 N/A ILE 101.A N LEU 34.A O no hydrogen 3.159 N/A SER 103.A N GLU 32.A O no hydrogen 2.860 N/A SER 103.A OG GLU 32.A O no hydrogen 2.766 N/A GLN 104.A N SER 102.A OG no hydrogen 3.108 N/A GLY 105.A N SER 102.A O no hydrogen 2.913 N/A VAL 107.A N GLY 105.A O no hydrogen 2.758 N/A MET 108.A N ALA 88.A O no hydrogen 2.913 N/A LYS 109.A NZ ASN 80.A O no hydrogen 3.172 N/A LEU 110.A N GLN 86.A O no hydrogen 2.928 N/A LYS 112.A NZ ASP 85.A OD1 no hydrogen 3.513 N/A THR 114.A OG1 PRO 111.A O no hydrogen 2.285 N/A SER 115.A N GLU 118.A OE1 no hydrogen 3.336 N/A LEU 119.A N SER 115.A O no hydrogen 3.050 N/A LYS 120.A N ASP 116.A O no hydrogen 2.948 N/A LYS 120.A NZ THR 302.A OG1 no hydrogen 2.596 N/A LEU 121.A N GLU 117.A O no hydrogen 3.143 N/A TYR 122.A N GLU 118.A O no hydrogen 2.902 N/A ALA 123.A N LEU 119.A O no hydrogen 3.070 N/A ALA 124.A N LYS 120.A O no hydrogen 2.932 N/A GLY 125.A N LEU 121.A O no hydrogen 2.952 N/A LEU 126.A N TYR 122.A O no hydrogen 2.884 N/A LEU 127.A N GLU 66.A OE1 no hydrogen 2.843 N/A VAL 129.A N GLY 125.A O no hydrogen 2.922 N/A LEU 130.A N LEU 126.A O no hydrogen 2.976 N/A THR 131.A N LEU 127.A O no hydrogen 2.927 N/A THR 131.A OG1 LEU 127.A O no hydrogen 2.797 N/A ALA 132.A N GLN 128.A O no hydrogen 2.944 N/A LEU 133.A N VAL 129.A O no hydrogen 2.806 N/A SER 134.A N LEU 130.A O no hydrogen 3.001 N/A SER 134.A OG LEU 130.A O no hydrogen 2.938 N/A SER 134.A OG THR 131.A O no hydrogen 3.377 N/A PHE 135.A N THR 131.A O no hydrogen 2.902 N/A THR 136.A N ALA 132.A O no hydrogen 3.164 N/A THR 136.A OG1 ALA 132.A O no hydrogen 2.829 N/A THR 136.A OG1 LEU 133.A O no hydrogen 3.316 N/A ASN 137.A N SER 134.A O no hydrogen 3.351 N/A ASN 137.A ND2 TYR 282.A OH no hydrogen 2.975 N/A GLU 138.A N SER 134.A O no hydrogen 2.809 N/A ALA 139.A N SER 134.A O no hydrogen 3.441 N/A TYR 140.A N PHE 135.A O no hydrogen 3.001 N/A TYR 140.A OH ASP 146.A OD2 no hydrogen 2.640 N/A HIS 141.A ND1 ASN 137.A O no hydrogen 2.931 N/A VAL 142.A N THR 136.A O no hydrogen 3.036 N/A LYS 143.A N ASP 146.A OD2 no hydrogen 2.879 N/A LYS 143.A NZ TYR 140.A OH no hydrogen 3.181 N/A LYS 143.A NZ ASP 146.A OD1 no hydrogen 2.936 N/A GLY 145.A N GLY 169.A O no hydrogen 2.900 N/A ASP 146.A N LYS 143.A O no hydrogen 3.088 N/A TYR 147.A N ASP 215.A OD2 no hydrogen 2.788 N/A VAL 148.A N HIS 171.A O no hydrogen 2.937 N/A LEU 149.A N ALA 216.A O no hydrogen 2.986 N/A LEU 150.A N ILE 173.A O no hydrogen 2.913 N/A PHE 151.A N PHE 218.A O no hydrogen 3.244 N/A ALA 153.A N VAL 175.A O no hydrogen 2.993 N/A GLY 155.A N ALA 152.A O no hydrogen 3.086 N/A LEU 159.A N GLY 155.A O no hydrogen 2.880 N/A LEU 161.A N VAL 157.A O no hydrogen 2.846 N/A ASN 162.A N GLY 158.A O no hydrogen 2.884 N/A GLN 163.A N LEU 159.A O no hydrogen 3.373 N/A GLN 163.A NE2 LEU 159.A O no hydrogen 3.058 N/A GLN 163.A NE2 ASN 296.A O no hydrogen 2.914 N/A LEU 164.A N ILE 160.A O no hydrogen 2.945 N/A LEU 165.A N LEU 161.A O no hydrogen 2.822 N/A LYS 166.A N ASN 162.A O no hydrogen 3.113 N/A MET 167.A N GLN 163.A O no hydrogen 2.997 N/A LYS 168.A N LEU 164.A O no hydrogen 2.985 N/A GLY 169.A N LYS 166.A O no hydrogen 3.091 N/A ALA 170.A N LEU 165.A O no hydrogen 2.900 N/A HIS 171.A N ASP 146.A O no hydrogen 2.695 N/A HIS 171.A ND1 GLU 191.A OE1 no hydrogen 2.682 N/A ILE 173.A N VAL 148.A O no hydrogen 2.819 N/A ALA 174.A N TYR 192.A O no hydrogen 2.792 N/A VAL 175.A N LEU 150.A O no hydrogen 2.807 N/A ALA 176.A N ILE 194.A O no hydrogen 3.224 N/A LYS 181.A N THR 178.A OG1 no hydrogen 2.974 N/A LYS 181.A NZ ARG 318.A O no hydrogen 2.684 N/A LYS 181.A NZ THR 320.A O no hydrogen 3.461 N/A LEU 182.A N THR 178.A O no hydrogen 3.169 N/A LYS 183.A N ASP 179.A O no hydrogen 2.999 N/A ILE 184.A N GLU 180.A O no hydrogen 3.427 N/A ALA 185.A N LYS 181.A O no hydrogen 2.875 N/A LYS 186.A N LEU 182.A O no hydrogen 2.877 N/A GLU 187.A N LYS 183.A O no hydrogen 3.033 N/A TYR 188.A N ILE 184.A O no hydrogen 2.904 N/A TYR 188.A OH ASN 296.A OD1 no hydrogen 2.691 N/A GLY 189.A N LYS 186.A O no hydrogen 3.036 N/A ALA 190.A N ALA 185.A O no hydrogen 2.959 N/A GLU 191.A N THR 172.A O no hydrogen 3.099 N/A TYR 192.A N THR 172.A O no hydrogen 2.941 N/A ILE 194.A N ALA 174.A O no hydrogen 2.802 N/A ASN 195.A N GLU 199.A OE1 no hydrogen 2.904 N/A ASN 195.A ND2 ASP 179.A OD1 no hydrogen 2.845 N/A ALA 196.A N ALA 176.A O no hydrogen 2.949 N/A SER 197.A N ASN 195.A OD1 no hydrogen 2.816 N/A SER 197.A OG SER 177.A O no hydrogen 2.692 N/A LYS 198.A N ASN 195.A O no hydrogen 3.033 N/A LYS 198.A NZ ASP 179.A OD2 no hydrogen 2.963 N/A GLU 199.A N ASN 195.A O no hydrogen 2.777 N/A ARG 203.A N ASP 200.A OD1 no hydrogen 3.054 N/A GLN 204.A N ASP 200.A O no hydrogen 3.083 N/A VAL 205.A N ILE 201.A O no hydrogen 2.932 N/A LEU 206.A N LEU 202.A O no hydrogen 3.027 N/A LYS 207.A N ARG 203.A O no hydrogen 3.059 N/A LYS 207.A NZ GLN 204.A OE1 no hydrogen 2.937 N/A PHE 208.A N GLN 204.A O no hydrogen 2.914 N/A THR 209.A N VAL 205.A O no hydrogen 3.083 N/A THR 209.A OG1 VAL 205.A O no hydrogen 2.842 N/A THR 209.A OG1 LEU 206.A O no hydrogen 3.505 N/A ASN 210.A N LYS 207.A O no hydrogen 3.398 N/A GLY 211.A N LEU 206.A O no hydrogen 2.666 N/A LYS 212.A N THR 209.A O no hydrogen 3.104 N/A GLY 213.A N THR 209.A OG1 no hydrogen 2.947 N/A VAL 214.A N ALA 232.A O no hydrogen 2.868 N/A ASP 215.A N TYR 147.A O no hydrogen 2.804 N/A ALA 216.A N TYR 147.A O no hydrogen 3.470 N/A SER 217.A N VAL 238.A O no hydrogen 2.986 N/A SER 217.A OG SER 229.A OG no hydrogen 2.819 N/A PHE 218.A N LEU 149.A O no hydrogen 2.822 N/A ASP 219.A N VAL 240.A O no hydrogen 3.020 N/A VAL 221.A N ASP 219.A OD1 no hydrogen 2.983 N/A LYS 223.A N GLY 247.A O no hydrogen 2.981 N/A ASP 224.A N SER 246.A OG no hydrogen 2.863 N/A THR 225.A N GLY 222.A O no hydrogen 3.238 N/A THR 225.A OG1 ASP 219.A OD1 no hydrogen 2.780 N/A THR 225.A OG1 ASP 219.A OD2 no hydrogen 3.045 N/A THR 225.A OG1 GLY 222.A O no hydrogen 3.240 N/A SER 229.A N THR 225.A O no hydrogen 2.856 N/A SER 229.A OG SER 217.A OG no hydrogen 2.819 N/A SER 229.A OG ASP 219.A OD2 no hydrogen 2.642 N/A LEU 230.A N PHE 226.A O no hydrogen 2.995 N/A ALA 231.A N GLU 227.A O no hydrogen 3.002 N/A ALA 232.A N ILE 228.A O no hydrogen 2.825 N/A LEU 233.A N SER 229.A O no hydrogen 3.130 N/A LYS 234.A N VAL 214.A O no hydrogen 2.837 N/A LYS 236.A N LYS 260.A O no hydrogen 2.765 N/A GLY 237.A N LYS 234.A O no hydrogen 2.841 N/A VAL 238.A N ASP 215.A O no hydrogen 3.046 N/A PHE 239.A N THR 263.A O no hydrogen 2.789 N/A VAL 240.A N SER 217.A O no hydrogen 2.862 N/A SER 241.A N VAL 265.A O no hydrogen 2.952 N/A PHE 242.A N ASP 219.A O no hydrogen 2.994 N/A ASN 244.A N TYR 49.A OH no hydrogen 2.901 N/A ASN 244.A ND2 TYR 55.A OH no hydrogen 2.962 N/A ALA 245.A N SER 220.A O no hydrogen 3.286 N/A SER 246.A N VAL 221.A O no hydrogen 2.842 N/A SER 246.A OG VAL 221.A O no hydrogen 2.645 N/A GLY 247.A N ASN 244.A O no hydrogen 2.830 N/A SER 253.A OG THR 255.A OG1 no hydrogen 2.723 N/A THR 255.A OG1 SER 253.A OG no hydrogen 2.723 N/A ARG 256.A N SER 253.A O no hydrogen 3.118 N/A ARG 256.A NH1 GLU 227.A OE1 no hydrogen 3.341 N/A ARG 256.A NH1 GLU 227.A OE2 no hydrogen 2.709 N/A ARG 256.A NH2 GLU 227.A OE1 no hydrogen 2.636 N/A LEU 257.A N ILE 254.A O no hydrogen 2.952 N/A SER 258.A N THR 255.A O no hydrogen 3.053 N/A SER 258.A OG THR 255.A O no hydrogen 3.276 N/A LYS 260.A NZ LEU 230.A O no hydrogen 2.673 N/A LYS 260.A NZ LEU 233.A O no hydrogen 2.838 N/A ASN 261.A N SER 258.A O no hydrogen 3.062 N/A ILE 262.A N LEU 257.A O no hydrogen 2.909 N/A THR 263.A N GLY 237.A O no hydrogen 3.077 N/A VAL 265.A N PHE 239.A O no hydrogen 2.949 N/A ARG 266.A NH1 ASN 244.A OD1 no hydrogen 3.167 N/A ARG 266.A NH2 PRO 267.A O no hydrogen 3.103 N/A GLY 271.A N GLN 268.A O no hydrogen 3.303 N/A TYR 272.A N LEU 269.A O no hydrogen 2.922 N/A ILE 273.A N TYR 270.A O no hydrogen 3.043 N/A ALA 274.A N GLU 278.A OE1 no hydrogen 3.083 N/A TRP 279.A N ASP 275.A O no hydrogen 3.001 N/A TRP 279.A NE1 VAL 107.A O no hydrogen 3.152 N/A LYS 280.A N PRO 276.A O no hydrogen 2.808 N/A LYS 280.A NZ ASP 284.A OD2 no hydrogen 2.773 N/A TYR 281.A N GLU 277.A O no hydrogen 3.085 N/A TYR 282.A N GLU 278.A O no hydrogen 3.136 N/A TYR 282.A OH GLU 138.A OE1 no hydrogen 2.596 N/A SER 283.A N TRP 279.A O no hydrogen 2.878 N/A SER 283.A OG TRP 279.A O no hydrogen 2.717 N/A SER 283.A OG LYS 280.A O no hydrogen 3.522 N/A ASP 284.A N LYS 280.A O no hydrogen 2.937 N/A GLU 285.A N TYR 281.A O no hydrogen 3.219 N/A PHE 286.A N TYR 282.A O no hydrogen 2.857 N/A PHE 287.A N SER 283.A O no hydrogen 2.977 N/A GLY 288.A N ASP 284.A O no hydrogen 3.067 N/A LEU 289.A N GLU 285.A O no hydrogen 3.113 N/A VAL 290.A N PHE 286.A O no hydrogen 3.146 N/A ASN 291.A N PHE 287.A O no hydrogen 2.947 N/A SER 292.A N GLY 288.A O no hydrogen 3.112 N/A SER 292.A OG GLY 288.A O no hydrogen 2.726 N/A SER 292.A OG LEU 289.A O no hydrogen 3.343 N/A LYS 293.A N VAL 290.A O no hydrogen 3.159 N/A LYS 294.A N LEU 289.A O no hydrogen 2.893 N/A LEU 295.A N LEU 289.A O no hydrogen 3.043 N/A ASN 296.A N GLN 163.A OE1 no hydrogen 2.776 N/A TYR 300.A N LYS 323.A O no hydrogen 2.731 N/A TYR 303.A N VAL 325.A O no hydrogen 2.890 N/A TYR 303.A OH ASP 314.A OD2 no hydrogen 2.624 N/A LEU 305.A N GLU 327.A O no hydrogen 2.924 N/A ASP 307.A N PRO 304.A O no hydrogen 2.861 N/A TYR 308.A N LEU 305.A O no hydrogen 3.057 N/A THR 310.A N ASP 307.A O no hydrogen 2.948 N/A ALA 311.A N ASP 307.A O no hydrogen 3.399 N/A ALA 312.A N TYR 308.A O no hydrogen 2.758 N/A ALA 313.A N ARG 309.A O no hydrogen 3.177 N/A ASP 314.A N THR 310.A O no hydrogen 2.873 N/A ILE 315.A N ALA 311.A O no hydrogen 2.928 N/A GLU 316.A N ALA 312.A O no hydrogen 3.058 N/A SER 317.A N ALA 313.A O no hydrogen 3.040 N/A SER 317.A N ASP 314.A O no hydrogen 3.232 N/A SER 317.A OG ASP 314.A O no hydrogen 2.673 N/A ARG 318.A N ILE 315.A O no hydrogen 3.283 N/A LYS 319.A N SER 317.A OG no hydrogen 3.226 N/A GLY 322.A N ALA 154.A O no hydrogen 2.998 N/A LYS 323.A N LYS 298.A O no hydrogen 2.834 N/A LYS 323.A NZ VAL 43.A O no hydrogen 2.994 N/A LYS 323.A NZ GLU 66.A OE2 no hydrogen 2.736 N/A VAL 325.A N LYS 301.A O no hydrogen 3.108 N/A LEU 326.A N THR 41.A O no hydrogen 2.823 N/A GLU 327.A N TYR 303.A O no hydrogen 2.733 N/A ILE 328.A N LYS 39.A O no hydrogen 2.990 N/A