Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A OG1 HIS 7.A NE2 no hydrogen 2.967 N/A ILE 6.A N LEU 38.A O no hydrogen 2.703 N/A HIS 7.A ND1 PHE 36.A O no hydrogen 2.880 N/A HIS 7.A NE2 THR 5.A OG1 no hydrogen 2.967 N/A LEU 10.A N ILE 22.A O no hydrogen 2.917 N/A THR 13.A N ALA 20.A O no hydrogen 2.930 N/A THR 13.A OG1 PRO 11.A O no hydrogen 2.718 N/A SER 14.A OG ASP 19.A OD1 no hydrogen 3.203 N/A TYR 15.A N PHE 18.A O no hydrogen 2.814 N/A PHE 18.A N TYR 15.A O no hydrogen 3.302 N/A ASP 19.A N PHE 302.A O no hydrogen 2.938 N/A ALA 20.A N THR 13.A O no hydrogen 2.945 N/A ALA 21.A N THR 300.A O no hydrogen 3.067 N/A ILE 22.A N LEU 10.A O no hydrogen 2.796 N/A PHE 23.A N ALA 299.A O no hydrogen 2.986 N/A THR 24.A OG1 ILE 297.A O no hydrogen 3.251 N/A THR 24.A OG1 THR 298.A OG1 no hydrogen 2.715 N/A ASP 25.A N ILE 297.A O no hydrogen 2.842 N/A GLY 27.A N ASP 25.A OD1 no hydrogen 2.704 N/A GLY 28.A N ALA 294.A O no hydrogen 2.707 N/A ARG 29.A N ILE 26.A O no hydrogen 3.440 N/A ARG 29.A NE ASP 295.A OD1 no hydrogen 3.299 N/A ASP 34.A N GLN 32.A OE1 no hydrogen 2.982 N/A ARG 35.A N PHE 55.A O no hydrogen 2.769 N/A ARG 35.A NE GLU 65.A OE1 no hydrogen 2.655 N/A ARG 35.A NH1 GLN 32.A O no hydrogen 2.823 N/A ARG 35.A NH1 ASP 34.A O no hydrogen 2.823 N/A THR 37.A N GLY 53.A O no hydrogen 2.716 N/A THR 37.A OG1 LYS 68.A O no hydrogen 2.849 N/A LEU 38.A N ILE 6.A O no hydrogen 2.995 N/A CYS 39.A N PHE 51.A O no hydrogen 2.932 N/A CYS 39.A SG PRO 4.A O no hydrogen 3.396 N/A CYS 39.A SG GLN 41.A O no hydrogen 3.762 N/A LEU 42.A N CYS 49.A O no hydrogen 3.030 N/A ARG 46.A N VAL 43.A O no hydrogen 2.975 N/A ARG 46.A NE ASP 48.A OD1 no hydrogen 2.782 N/A ARG 46.A NH2 ASP 48.A OD1 no hydrogen 3.249 N/A ARG 46.A NH2 ASP 48.A OD2 no hydrogen 2.730 N/A CYS 49.A SG ASP 48.A OD1 no hydrogen 3.664 N/A ALA 50.A N LEU 138.A O no hydrogen 2.881 N/A PHE 51.A N CYS 39.A O no hydrogen 3.036 N/A PHE 52.A N ALA 136.A O no hydrogen 2.816 N/A GLY 53.A N THR 37.A O no hydrogen 2.811 N/A VAL 54.A N VAL 134.A O no hydrogen 3.148 N/A PHE 55.A N ARG 35.A O no hydrogen 2.668 N/A ASP 56.A N THR 132.A OG1 no hydrogen 3.084 N/A GLY 57.A N GLU 33.A O no hydrogen 2.864 N/A THR 58.A N SER 130.A O no hydrogen 3.008 N/A SER 64.A OG GLU 33.A O no hydrogen 2.886 N/A SER 64.A OG ASP 61.A O no hydrogen 3.288 N/A GLU 65.A N ASP 61.A O no hydrogen 2.799 N/A ASN 66.A N PHE 62.A O no hydrogen 3.174 N/A ASN 66.A ND2 PHE 62.A O no hydrogen 2.877 N/A VAL 67.A N ALA 63.A O no hydrogen 2.898 N/A LYS 68.A N SER 64.A O no hydrogen 3.412 N/A LYS 68.A NZ GLU 65.A OE1 no hydrogen 3.279 N/A ASP 69.A N ASN 66.A O no hydrogen 2.812 N/A LEU 70.A N VAL 67.A O no hydrogen 3.004 N/A VAL 71.A N VAL 67.A O no hydrogen 3.240 N/A GLN 74.A N LEU 70.A O no hydrogen 2.988 N/A GLN 74.A NE2 GLU 117.A OE1 no hydrogen 2.625 N/A LEU 75.A N VAL 71.A O no hydrogen 2.857 N/A ILE 76.A N VAL 72.A O no hydrogen 3.073 N/A SER 77.A N PRO 73.A O no hydrogen 3.147 N/A SER 77.A N GLN 74.A O no hydrogen 3.328 N/A SER 77.A OG PRO 73.A O no hydrogen 2.674 N/A SER 78.A N LEU 75.A O no hydrogen 3.099 N/A SER 78.A OG ASP 110.A OD2 no hydrogen 3.205 N/A ALA 80.A N SER 78.A OG no hydrogen 2.999 N/A TRP 81.A N SER 78.A OG no hydrogen 3.258 N/A GLN 82.A N SER 78.A O no hydrogen 2.853 N/A GLU 83.A N PRO 79.A O no hydrogen 3.108 N/A VAL 84.A N ALA 80.A O no hydrogen 3.200 N/A THR 85.A N TRP 81.A O no hydrogen 2.817 N/A THR 85.A OG1 TRP 81.A O no hydrogen 3.460 N/A GLU 86.A N GLN 82.A O no hydrogen 2.825 N/A ARG 88.A N THR 85.A O no hydrogen 3.076 N/A ARG 88.A N GLU 86.A O no hydrogen 3.238 N/A ARG 88.A NH2 PRO 44.A O no hydrogen 3.342 N/A VAL 96.A N PRO 92.A O no hydrogen 2.919 N/A ASP 97.A N ALA 93.A O no hydrogen 2.964 N/A GLU 98.A N GLU 95.A O no hydrogen 3.117 N/A LYS 99.A N GLU 95.A O no hydrogen 2.968 N/A LYS 99.A N VAL 96.A O no hydrogen 2.760 N/A LEU 100.A N VAL 96.A O no hydrogen 2.687 N/A LEU 103.A N LYS 99.A O no hydrogen 3.276 N/A LEU 104.A N LEU 100.A O no hydrogen 2.882 N/A ASP 105.A N PRO 101.A O no hydrogen 2.914 N/A GLN 106.A N GLN 102.A O no hydrogen 3.012 N/A GLN 106.A NE2 ASP 110.A OD1 no hydrogen 2.819 N/A ALA 107.A N LEU 103.A O no hydrogen 2.981 N/A VAL 108.A N LEU 104.A O no hydrogen 2.998 N/A ASP 109.A N ASP 105.A O no hydrogen 2.964 N/A ASP 110.A N GLN 106.A O no hydrogen 2.914 N/A TYR 111.A OH SER 133.A OG no hydrogen 2.918 N/A TYR 111.A OH THR 135.A OG1 no hydrogen 2.799 N/A LYS 112.A N ASP 109.A O no hydrogen 3.221 N/A LYS 112.A NZ ASP 109.A OD2 no hydrogen 2.661 N/A ASN 113.A N ASP 110.A O no hydrogen 2.898 N/A ASP 115.A N TYR 111.A O no hydrogen 2.899 N/A ASN 116.A N LYS 112.A O no hydrogen 3.025 N/A GLU 117.A N ASN 113.A O no hydrogen 3.141 N/A LEU 118.A N ALA 114.A O no hydrogen 2.994 N/A VAL 119.A N ASP 115.A O no hydrogen 2.804 N/A LYS 120.A N ASN 116.A O no hydrogen 3.088 N/A CYS 121.A SG LEU 118.A O no hydrogen 3.343 N/A GLU 122.A N VAL 119.A O no hydrogen 2.898 N/A GLN 123.A N LYS 120.A O no hydrogen 2.993 N/A LYS 126.A N CYS 121.A O no hydrogen 2.745 N/A SER 130.A N THR 58.A O no hydrogen 3.201 N/A SER 130.A OG TYR 128.A O no hydrogen 2.764 N/A SER 131.A N PHE 222.A O no hydrogen 2.998 N/A SER 131.A OG THR 132.A O no hydrogen 2.898 N/A THR 132.A N ASP 56.A O no hydrogen 2.913 N/A THR 132.A OG1 SER 151.A OG no hydrogen 2.608 N/A SER 133.A N LEU 148.A O no hydrogen 2.688 N/A SER 133.A OG TYR 111.A OH no hydrogen 2.918 N/A VAL 134.A N VAL 54.A O no hydrogen 3.324 N/A THR 135.A N GLY 146.A O no hydrogen 2.769 N/A THR 135.A OG1 TYR 111.A OH no hydrogen 2.799 N/A THR 135.A OG1 GLY 146.A O no hydrogen 3.354 N/A ALA 136.A N PHE 52.A O no hydrogen 2.751 N/A VAL 137.A N ALA 144.A O no hydrogen 2.970 N/A LEU 138.A N ALA 50.A O no hydrogen 2.763 N/A ALA 139.A N PHE 142.A O no hydrogen 2.783 N/A LYS 140.A N ASP 48.A O no hydrogen 3.261 N/A PHE 142.A N ALA 139.A O no hydrogen 2.916 N/A VAL 143.A N VAL 240.A O no hydrogen 2.948 N/A ALA 144.A N VAL 137.A O no hydrogen 2.816 N/A VAL 145.A N ARG 238.A O no hydrogen 2.723 N/A GLY 146.A N THR 135.A O no hydrogen 3.000 N/A HIS 147.A NE2 VAL 169.A O no hydrogen 2.803 N/A LEU 148.A N SER 133.A O no hydrogen 2.750 N/A GLY 149.A N HIS 171.A ND1 no hydrogen 2.969 N/A SER 151.A OG THR 132.A OG1 no hydrogen 2.608 N/A ARG 152.A N ALA 251.A O no hydrogen 3.053 N/A ARG 152.A NE ASP 170.A OD1 no hydrogen 2.902 N/A ARG 152.A NE ASP 170.A OD2 no hydrogen 3.312 N/A ARG 152.A NH2 ASP 170.A OD2 no hydrogen 2.805 N/A ILE 153.A N THR 168.A OG1 no hydrogen 3.419 N/A ALA 154.A N ILE 249.A O no hydrogen 2.861 N/A VAL 156.A N ASN 163.A O no hydrogen 2.799 N/A GLU 157.A N GLN 245.A O no hydrogen 3.025 N/A THR 158.A N GLY 161.A O no hydrogen 2.861 N/A THR 158.A OG1 GLY 161.A O no hydrogen 2.612 N/A ASN 160.A N THR 158.A OG1 no hydrogen 3.105 N/A GLY 161.A N THR 158.A O no hydrogen 3.021 N/A ASN 163.A N VAL 156.A O no hydrogen 2.594 N/A CYS 164.A SG LEU 162.A O no hydrogen 3.972 N/A LEU 167.A N ILE 153.A O no hydrogen 2.825 N/A HIS 171.A N GLY 149.A O no hydrogen 3.002 N/A HIS 171.A NE2 ASP 236.A OD2 no hydrogen 2.522 N/A LYS 172.A NZ ASP 150.A OD2 no hydrogen 3.109 N/A LYS 178.A NZ TYR 189.A OH no hydrogen 3.140 N/A LEU 179.A N PRO 175.A O no hydrogen 2.907 N/A ARG 180.A N HIS 176.A O no hydrogen 3.123 N/A ARG 180.A NE GLY 230.A O no hydrogen 2.768 N/A ARG 180.A NH1 GLU 177.A OE1 no hydrogen 3.398 N/A ARG 180.A NH1 GLU 177.A OE2 no hydrogen 3.013 N/A ARG 180.A NH2 GLU 177.A OE1 no hydrogen 2.884 N/A ARG 180.A NH2 GLY 230.A O no hydrogen 2.922 N/A ILE 181.A N GLU 177.A O no hydrogen 2.993 N/A ASN 183.A N ARG 180.A O no hydrogen 3.092 N/A ASN 183.A ND2 ARG 180.A O no hydrogen 2.857 N/A GLY 185.A N ILE 181.A O no hydrogen 2.711 N/A SER 186.A N ARG 200.A O no hydrogen 2.831 N/A SER 186.A OG GLU 188.A OE2 no hydrogen 2.687 N/A GLU 188.A N PHE 198.A O no hydrogen 2.827 N/A HIS 193.A N LEU 190.A O no hydrogen 2.762 N/A HIS 193.A ND1 HIS 191.A O no hydrogen 2.819 N/A LYS 196.A N HIS 193.A O no hydrogen 2.955 N/A PHE 198.A N GLU 188.A O no hydrogen 2.815 N/A ILE 199.A N LEU 216.A O no hydrogen 2.808 N/A ARG 200.A N SER 186.A O no hydrogen 2.780 N/A PHE 204.A N GLY 201.A O no hydrogen 3.271 N/A ARG 207.A N ASP 203.A O no hydrogen 2.899 N/A ARG 207.A NE GLU 212.A OE1 no hydrogen 3.542 N/A ARG 207.A NH1 ASP 203.A OD2 no hydrogen 3.036 N/A ARG 207.A NH1 ASP 226.A OD2 no hydrogen 2.748 N/A ARG 207.A NH2 ASP 127.A OD2 no hydrogen 3.255 N/A ARG 207.A NH2 ASP 226.A OD2 no hydrogen 3.240 N/A LYS 208.A N PHE 204.A O no hydrogen 2.829 N/A SER 209.A N SER 205.A O no hydrogen 2.936 N/A SER 209.A OG PHE 206.A O no hydrogen 2.895 N/A ARG 210.A N PHE 206.A O no hydrogen 3.033 N/A GLY 211.A N LYS 208.A O no hydrogen 3.171 N/A GLU 212.A N ARG 207.A O no hydrogen 2.984 N/A LEU 216.A N ILE 199.A O no hydrogen 3.497 N/A GLN 217.A NE2 LYS 196.A O no hydrogen 2.933 N/A SER 219.A N HIS 171.A O no hydrogen 2.943 N/A SER 219.A OG GLU 177.A OE1 no hydrogen 2.783 N/A ARG 220.A NE GLU 177.A OE1 no hydrogen 3.195 N/A ARG 220.A NE GLU 177.A OE2 no hydrogen 3.279 N/A ARG 220.A NH1 GLN 234.A O no hydrogen 2.897 N/A ARG 220.A NH2 GLU 177.A OE2 no hydrogen 2.832 N/A ALA 221.A N SER 232.A O no hydrogen 2.946 N/A PHE 222.A N SER 131.A O no hydrogen 2.906 N/A GLY 223.A N ASP 115.A OD1 no hydrogen 2.821 N/A GLY 224.A N ALA 129.A O no hydrogen 2.791 N/A LYS 225.A NZ ASP 127.A OD1 no hydrogen 2.885 N/A LYS 225.A NZ ASP 226.A OD1 no hydrogen 2.797 N/A ASP 226.A N ASP 127.A O no hydrogen 2.825 N/A LEU 227.A N GLY 224.A O no hydrogen 2.802 N/A LYS 228.A N GLY 224.A O no hydrogen 3.009 N/A LYS 228.A N LYS 225.A O no hydrogen 3.366 N/A LYS 228.A NZ ASP 115.A OD1 no hydrogen 3.002 N/A LYS 228.A NZ ASP 115.A OD2 no hydrogen 2.654 N/A LYS 228.A NZ ALA 221.A O no hydrogen 2.769 N/A LYS 228.A NZ GLY 223.A O no hydrogen 2.705 N/A LEU 231.A N LEU 227.A O no hydrogen 3.259 N/A SER 232.A N SER 219.A O no hydrogen 3.219 N/A ASN 233.A ND2 ASP 115.A OD2 no hydrogen 3.082 N/A GLN 234.A N SER 232.A OG no hydrogen 2.891 N/A ASP 236.A N HIS 147.A O no hydrogen 3.398 N/A ARG 238.A N VAL 145.A O no hydrogen 2.848 N/A VAL 240.A N VAL 143.A O no hydrogen 2.962 N/A VAL 242.A N GLY 141.A O no hydrogen 2.733 N/A THR 243.A OG1 GLN 245.A OE1 no hydrogen 3.430 N/A GLN 245.A N THR 243.A OG1 no hydrogen 3.282 N/A HIS 246.A N THR 243.A O no hydrogen 2.932 N/A ARG 247.A N GLY 155.A O no hydrogen 2.919 N/A ARG 247.A NE GLU 157.A OE1 no hydrogen 3.002 N/A ARG 247.A NH1 PRO 244.A O no hydrogen 2.671 N/A ARG 247.A NH2 GLU 157.A OE1 no hydrogen 3.140 N/A VAL 248.A N GLY 155.A O no hydrogen 3.286 N/A ALA 251.A N ARG 152.A O no hydrogen 3.077 N/A THR 252.A N THR 298.A O no hydrogen 3.292 N/A THR 252.A OG1 ASP 34.A OD2 no hydrogen 2.938 N/A LEU 255.A N THR 252.A O no hydrogen 2.907 N/A TRP 256.A N THR 252.A O no hydrogen 3.394 N/A TRP 256.A NE1 ARG 152.A O no hydrogen 3.138 N/A TRP 256.A NE1 ALA 251.A O no hydrogen 3.116 N/A ASP 257.A N ASP 253.A O no hydrogen 2.850 N/A VAL 258.A N LEU 255.A O no hydrogen 3.185 N/A GLN 262.A N SER 259.A OG no hydrogen 3.094 N/A ALA 263.A N SER 259.A O no hydrogen 3.001 N/A VAL 264.A N ALA 260.A O no hydrogen 2.996 N/A GLU 265.A N ALA 261.A O no hydrogen 2.978 N/A ILE 266.A N GLN 262.A O no hydrogen 3.033 N/A ALA 267.A N ALA 263.A O no hydrogen 2.885 N/A ALA 269.A N ILE 266.A O no hydrogen 2.978 N/A ARG 270.A N ALA 267.A O no hydrogen 3.183 N/A ARG 270.A NH2 ASP 19.A OD2 no hydrogen 2.957 N/A GLU 272.A N GLN 268.A O no hydrogen 2.967 N/A GLU 272.A N ALA 269.A O no hydrogen 3.106 N/A GLY 273.A N ARG 270.A O no hydrogen 2.763 N/A ARG 274.A N ALA 269.A O no hydrogen 2.658 N/A ARG 274.A NE GLU 272.A OE1 no hydrogen 2.984 N/A ARG 274.A NH2 GLU 272.A OE1 no hydrogen 2.790 N/A GLN 278.A N ASN 275.A OD1 no hydrogen 3.038 N/A ALA 279.A N ASN 275.A O no hydrogen 2.763 N/A LEU 280.A N PRO 276.A O no hydrogen 3.041 N/A VAL 281.A N ALA 277.A O no hydrogen 3.172 N/A GLU 282.A N GLN 278.A O no hydrogen 2.819 N/A THR 283.A OG1 LEU 280.A O no hydrogen 2.756 N/A LEU 284.A N VAL 281.A O no hydrogen 2.960 N/A ALA 285.A N GLU 282.A O no hydrogen 2.937 N/A GLN 287.A N THR 283.A O no hydrogen 3.011 N/A GLN 288.A N LEU 284.A O no hydrogen 3.031 N/A SER 289.A N ALA 285.A O no hydrogen 2.988 N/A ARG 290.A N GLU 286.A O no hydrogen 3.050 N/A ARG 290.A N GLN 287.A O no hydrogen 3.035 N/A ARG 290.A NE GLU 286.A OE2 no hydrogen 2.679 N/A ARG 290.A NH2 GLU 286.A OE2 no hydrogen 3.403 N/A ASN 291.A N GLN 288.A O no hydrogen 2.770 N/A GLN 292.A N GLN 287.A O no hydrogen 2.877 N/A ASN 296.A N ASP 295.A OD1 no hydrogen 2.572 N/A ASN 296.A ND2 HIS 31.A O no hydrogen 3.347 N/A ILE 297.A N ASP 25.A O no hydrogen 2.964 N/A THR 298.A OG1 THR 24.A OG1 no hydrogen 2.715 N/A THR 298.A OG1 ASP 34.A OD2 no hydrogen 2.855 N/A ALA 299.A N PHE 23.A O no hydrogen 2.949 N/A THR 300.A OG1 ALA 21.A O no hydrogen 3.503 N/A PHE 302.A N ASP 19.A O no hydrogen 2.857 N/A PHE 303.A N ARG 247.A O no hydrogen 3.286 N/A LYS 304.A NZ TYR 15.A O no hydrogen 2.553 N/A LYS 304.A NZ ASP 19.A OD1 no hydrogen 2.731 N/A