Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ASP 231.A O no hydrogen 3.388 N/A ILE 5.A N ALA 144.A O no hydrogen 2.750 N/A ILE 6.A N LEU 108.A O no hydrogen 2.917 N/A HIS 7.A N GLY 142.A O no hydrogen 2.906 N/A HIS 7.A ND1 SER 154.A OG no hydrogen 3.297 N/A HIS 7.A NE2 GLU 105.A OE1 no hydrogen 3.120 N/A VAL 8.A N ALA 106.A O no hydrogen 2.939 N/A ASP 9.A N SER 140.A O no hydrogen 2.908 N/A MET 10.A N ASP 104.A O no hydrogen 3.048 N/A ASP 11.A N THR 138.A O no hydrogen 3.362 N/A CYS 12.A SG ALA 45.A O no hydrogen 3.971 N/A ALA 16.A N CYS 12.A O no hydrogen 2.546 N/A VAL 17.A N PHE 13.A O no hydrogen 2.931 N/A GLU 18.A N PHE 14.A O no hydrogen 2.916 N/A MET 19.A N ALA 15.A O no hydrogen 2.887 N/A ARG 20.A N ALA 16.A O no hydrogen 2.918 N/A ARG 20.A NE ASP 21.A OD1 no hydrogen 2.756 N/A ARG 20.A NH1 LEU 135.A O no hydrogen 3.235 N/A ARG 20.A NH2 ASP 21.A OD1 no hydrogen 2.906 N/A ARG 20.A NH2 ASP 21.A OD2 no hydrogen 3.147 N/A ASP 21.A N VAL 17.A O no hydrogen 2.915 N/A ASN 22.A N MET 19.A O no hydrogen 3.184 N/A ALA 24.A N ASN 22.A OD1 no hydrogen 3.320 N/A LEU 25.A N ASN 22.A O no hydrogen 2.972 N/A ARG 26.A NH1 ASP 27.A OD2 no hydrogen 3.334 N/A ASP 27.A N LEU 25.A O no hydrogen 2.401 N/A ILE 30.A N ASN 46.A OD1 no hydrogen 2.914 N/A ALA 31.A N THR 71.A O no hydrogen 2.899 N/A ILE 32.A N THR 44.A O no hydrogen 2.903 N/A GLY 33.A N LEU 73.A O no hydrogen 2.744 N/A ARG 38.A N SER 35.A OG no hydrogen 3.247 N/A ARG 39.A N ARG 36.A O no hydrogen 3.161 N/A ARG 39.A NH1 MET 250.A O no hydrogen 2.385 N/A ARG 39.A NH2 GLU 252.A OE1 no hydrogen 2.261 N/A GLY 40.A N SER 35.A O no hydrogen 2.667 N/A ILE 42.A N MET 58.A O no hydrogen 2.825 N/A SER 43.A N ILE 32.A O no hydrogen 2.550 N/A ASN 46.A N ILE 30.A O no hydrogen 3.236 N/A ASN 46.A ND2 ILE 28.A O no hydrogen 2.720 N/A ALA 49.A N ASN 46.A OD1 no hydrogen 3.367 N/A ARG 50.A N ASN 46.A O no hydrogen 2.948 N/A ARG 50.A NE ALA 45.A O no hydrogen 2.851 N/A ARG 50.A NH2 THR 44.A OG1 no hydrogen 3.359 N/A ARG 50.A NH2 ALA 45.A O no hydrogen 3.170 N/A LYS 51.A N TYR 47.A O no hydrogen 2.928 N/A PHE 52.A N ALA 49.A O no hydrogen 2.931 N/A GLY 53.A N ARG 50.A O no hydrogen 2.903 N/A VAL 54.A N ALA 49.A O no hydrogen 3.280 N/A ARG 55.A NH1 ARG 50.A O no hydrogen 3.377 N/A SER 56.A OG SER 43.A O no hydrogen 2.728 N/A ALA 57.A N ILE 42.A O no hydrogen 2.657 N/A THR 60.A N GLY 40.A O no hydrogen 3.390 N/A THR 60.A OG1 GLY 34.A O no hydrogen 2.475 N/A ALA 63.A N PRO 59.A O no hydrogen 2.967 N/A LEU 64.A N THR 60.A O no hydrogen 2.898 N/A ALA 65.A N GLY 61.A O no hydrogen 3.337 N/A LEU 66.A N ALA 63.A O no hydrogen 3.271 N/A CYS 67.A N ALA 63.A O no hydrogen 2.761 N/A LEU 70.A N CYS 67.A O no hydrogen 2.938 N/A THR 71.A N PRO 29.A O no hydrogen 2.864 N/A LEU 73.A N ALA 31.A O no hydrogen 2.747 N/A ARG 76.A N TYR 80.A OH no hydrogen 3.320 N/A ARG 76.A NE GLU 18.A OE1 no hydrogen 3.197 N/A ARG 76.A NE GLU 18.A OE2 no hydrogen 3.343 N/A TYR 80.A N PHE 77.A O no hydrogen 2.794 N/A TYR 80.A OH GLU 18.A OE2 no hydrogen 2.627 N/A LYS 81.A N PHE 77.A O no hydrogen 2.890 N/A GLU 82.A N ASP 78.A O no hydrogen 2.944 N/A SER 84.A N TYR 80.A O no hydrogen 2.918 N/A SER 84.A OG LEU 103.A O no hydrogen 2.893 N/A ASN 85.A N LYS 81.A O no hydrogen 2.915 N/A HIS 86.A N GLU 82.A O no hydrogen 2.916 N/A HIS 86.A NE2 GLU 134.A OE1 no hydrogen 2.821 N/A ILE 87.A N ALA 83.A O no hydrogen 2.906 N/A ARG 88.A N SER 84.A O no hydrogen 2.951 N/A ARG 88.A NH2 SER 102.A O no hydrogen 2.358 N/A GLU 89.A N ASN 85.A O no hydrogen 2.943 N/A ILE 90.A N HIS 86.A O no hydrogen 2.933 N/A PHE 91.A N ILE 87.A O no hydrogen 2.908 N/A SER 92.A N ARG 88.A O no hydrogen 2.909 N/A SER 92.A OG ARG 88.A O no hydrogen 3.525 N/A SER 92.A OG GLU 89.A O no hydrogen 2.462 N/A ARG 93.A N GLU 89.A O no hydrogen 2.974 N/A ARG 93.A N ILE 90.A O no hydrogen 3.268 N/A ARG 93.A NE GLU 89.A OE2 no hydrogen 2.563 N/A ARG 93.A NH1 GLU 134.A OE2 no hydrogen 2.498 N/A ARG 93.A NH2 GLU 89.A OE1 no hydrogen 3.286 N/A ARG 93.A NH2 GLU 89.A OE2 no hydrogen 2.788 N/A ARG 93.A NH2 GLU 134.A OE1 no hydrogen 2.569 N/A ARG 93.A NH2 GLU 134.A OE2 no hydrogen 2.903 N/A TYR 94.A N PHE 91.A O no hydrogen 3.026 N/A TYR 94.A OH GLU 126.A OE1 no hydrogen 3.049 N/A THR 95.A N PHE 91.A O no hydrogen 3.299 N/A THR 95.A OG1 ASP 109.A O no hydrogen 3.540 N/A ARG 97.A N THR 95.A OG1 no hydrogen 2.907 N/A ARG 97.A NH1 VAL 235.A O no hydrogen 2.268 N/A ARG 97.A NH2 ASP 234.A OD1 no hydrogen 2.411 N/A ARG 97.A NH2 ASP 234.A OD2 no hydrogen 3.287 N/A GLU 99.A N TYR 107.A O no hydrogen 2.904 N/A LEU 101.A N GLU 105.A O no hydrogen 3.061 N/A SER 102.A OG ASP 104.A OD1 no hydrogen 2.904 N/A ASP 104.A N SER 102.A OG no hydrogen 3.064 N/A ALA 106.A N VAL 8.A O no hydrogen 3.263 N/A TYR 107.A N GLU 99.A O no hydrogen 2.898 N/A LEU 108.A N ILE 6.A O no hydrogen 2.855 N/A ASP 109.A N ARG 97.A O no hydrogen 3.333 N/A VAL 110.A N LYS 4.A O no hydrogen 3.011 N/A HIS 115.A N SER 113.A OG no hydrogen 3.336 N/A CYS 116.A SG GLU 126.A OE2 no hydrogen 3.171 N/A SER 119.A N CYS 116.A O no hydrogen 3.099 N/A ILE 123.A N SER 119.A O no hydrogen 3.240 N/A ALA 124.A N ALA 120.A O no hydrogen 2.906 N/A GLN 125.A N THR 121.A O no hydrogen 2.909 N/A GLU 126.A N LEU 122.A O no hydrogen 2.897 N/A ILE 127.A N ILE 123.A O no hydrogen 2.905 N/A ARG 128.A N ALA 124.A O no hydrogen 2.930 N/A ARG 128.A NE GLN 162.A OE1 no hydrogen 2.826 N/A ARG 128.A NH1 ALA 139.A O no hydrogen 3.265 N/A ARG 128.A NH1 ASN 160.A OD1 no hydrogen 2.887 N/A ARG 128.A NH2 GLN 125.A OE1 no hydrogen 3.021 N/A ARG 128.A NH2 GLN 162.A OE1 no hydrogen 3.480 N/A GLN 129.A N GLN 125.A O no hydrogen 2.915 N/A THR 130.A N GLU 126.A O no hydrogen 2.864 N/A THR 130.A OG1 GLU 126.A O no hydrogen 2.367 N/A ILE 131.A N ILE 127.A O no hydrogen 2.918 N/A PHE 132.A N ARG 128.A O no hydrogen 2.915 N/A ASN 133.A N GLN 129.A O no hydrogen 2.926 N/A GLU 134.A N THR 130.A O no hydrogen 2.899 N/A LEU 135.A N ILE 131.A O no hydrogen 2.924 N/A GLN 136.A N PHE 132.A O no hydrogen 2.866 N/A THR 138.A OG1 ASP 11.A OD1 no hydrogen 3.559 N/A SER 140.A N ASP 9.A O no hydrogen 2.888 N/A SER 140.A OG ASP 11.A OD1 no hydrogen 3.238 N/A SER 140.A OG ASP 11.A OD2 no hydrogen 2.751 N/A ALA 141.A N GLY 161.A O no hydrogen 3.127 N/A GLY 142.A N HIS 7.A O no hydrogen 2.914 N/A VAL 143.A N PHE 163.A O no hydrogen 2.897 N/A ALA 144.A N ILE 5.A O no hydrogen 2.937 N/A LYS 147.A NZ GLU 99.A OE1 no hydrogen 2.524 N/A LYS 147.A NZ ASP 234.A O no hydrogen 3.263 N/A PHE 148.A N ASP 231.A OD2 no hydrogen 3.147 N/A LYS 151.A N LYS 147.A O no hydrogen 2.917 N/A LYS 151.A NZ LYS 151.A O no hydrogen 3.566 N/A ILE 152.A N PHE 148.A O no hydrogen 2.907 N/A ALA 153.A N LEU 149.A O no hydrogen 2.899 N/A SER 154.A N ALA 150.A O no hydrogen 2.925 N/A SER 154.A N LYS 151.A O no hydrogen 3.200 N/A SER 154.A OG HIS 7.A ND1 no hydrogen 3.297 N/A ASP 155.A N ILE 152.A O no hydrogen 3.194 N/A MET 156.A N ALA 153.A O no hydrogen 3.292 N/A ASN 157.A ND2 GLN 162.A O no hydrogen 3.338 N/A LYS 158.A NZ ASP 155.A OD1 no hydrogen 3.045 N/A ASN 160.A N ASP 11.A OD1 no hydrogen 2.837 N/A GLN 162.A NE2 THR 121.A O no hydrogen 3.123 N/A PHE 163.A N ALA 141.A O no hydrogen 2.943 N/A ILE 165.A N VAL 143.A O no hydrogen 2.806 N/A THR 166.A N GLU 169.A OE2 no hydrogen 3.339 N/A GLU 169.A N THR 166.A O no hydrogen 2.773 N/A GLU 169.A N THR 166.A OG1 no hydrogen 3.250 N/A VAL 170.A N THR 166.A O no hydrogen 3.043 N/A PHE 173.A N GLU 169.A O no hydrogen 2.991 N/A LEU 174.A N VAL 170.A O no hydrogen 2.843 N/A GLN 175.A N PRO 171.A O no hydrogen 3.310 N/A LEU 177.A N LEU 174.A O no hydrogen 3.135 N/A LEU 179.A N ARG 199.A O no hydrogen 2.754 N/A LYS 181.A N PRO 178.A O no hydrogen 3.005 N/A ILE 182.A N LEU 179.A O no hydrogen 3.028 N/A VAL 185.A N ILE 182.A O no hydrogen 3.033 N/A ALA 190.A N GLY 186.A O no hydrogen 2.995 N/A ALA 191.A N LYS 187.A O no hydrogen 2.906 N/A LYS 192.A N VAL 188.A O no hydrogen 2.918 N/A LEU 193.A N SER 189.A O no hydrogen 2.905 N/A GLU 194.A N ALA 190.A O no hydrogen 2.887 N/A ALA 195.A N ALA 191.A O no hydrogen 2.901 N/A MET 196.A N LYS 192.A O no hydrogen 2.942 N/A GLY 197.A N GLU 194.A O no hydrogen 2.944 N/A LEU 198.A N LEU 193.A O no hydrogen 2.698 N/A ARG 199.A N ASP 203.A OD2 no hydrogen 3.161 N/A THR 200.A N ASP 203.A OD2 no hydrogen 3.134 N/A THR 200.A OG1 GLN 175.A O no hydrogen 3.289 N/A CYS 201.A N LEU 177.A O no hydrogen 2.812 N/A CYS 201.A SG LEU 177.A O no hydrogen 3.495 N/A GLY 202.A N GLN 175.A O no hydrogen 3.360 N/A ASP 203.A N THR 200.A O no hydrogen 3.182 N/A ASP 203.A N THR 200.A OG1 no hydrogen 3.047 N/A VAL 204.A N CYS 201.A O no hydrogen 2.936 N/A GLN 205.A N CYS 201.A O no hydrogen 2.919 N/A GLN 205.A NE2 SER 227.A O no hydrogen 2.892 N/A CYS 207.A N VAL 204.A O no hydrogen 3.019 N/A CYS 207.A SG ASP 203.A O no hydrogen 3.721 N/A VAL 210.A N ASP 208.A OD2 no hydrogen 3.191 N/A MET 211.A N ASP 208.A OD1 no hydrogen 3.236 N/A LEU 212.A N ASP 208.A O no hydrogen 3.324 N/A LEU 213.A N LEU 209.A O no hydrogen 2.918 N/A LYS 214.A N VAL 210.A O no hydrogen 2.909 N/A ARG 215.A N MET 211.A O no hydrogen 2.895 N/A PHE 216.A N LEU 212.A O no hydrogen 2.913 N/A GLY 217.A N LEU 213.A O no hydrogen 2.907 N/A GLY 220.A N GLY 217.A O no hydrogen 3.178 N/A ARG 221.A N GLY 217.A O no hydrogen 3.433 N/A ILE 222.A N LYS 218.A O no hydrogen 2.924 N/A LEU 223.A N PHE 219.A O no hydrogen 2.894 N/A TRP 224.A N GLY 220.A O no hydrogen 2.919 N/A GLU 225.A N ARG 221.A O no hydrogen 2.888 N/A ARG 226.A N ILE 222.A O no hydrogen 2.944 N/A SER 227.A N LEU 223.A O no hydrogen 2.912 N/A GLN 228.A N TRP 224.A O no hydrogen 2.937 N/A GLN 228.A N GLU 225.A O no hydrogen 2.899 N/A GLY 229.A N ARG 226.A O no hydrogen 2.876 N/A ILE 230.A N GLU 225.A O no hydrogen 2.774 N/A ARG 233.A NE ASP 231.A OD1 no hydrogen 2.700 N/A ARG 233.A NE ASP 231.A OD2 no hydrogen 3.256 N/A ARG 233.A NH2 ASP 231.A OD2 no hydrogen 2.990 N/A ASN 236.A N GLU 99.A OE1 no hydrogen 3.272 N/A GLU 238.A N ASN 236.A OD1 no hydrogen 3.083 N/A VAL 246.A N LEU 335.A O no hydrogen 2.906 N/A ARG 248.A N VAL 333.A O no hydrogen 2.893 N/A MET 250.A N ARG 331.A O no hydrogen 2.852 N/A HIS 255.A ND1 ASP 253.A OD1 no hydrogen 2.500 N/A HIS 256.A N GLU 259.A OE2 no hydrogen 3.388 N/A GLU 261.A N TRP 257.A O no hydrogen 2.922 N/A ALA 262.A N SER 258.A O no hydrogen 2.906 N/A ILE 263.A N GLU 259.A O no hydrogen 2.926 N/A ILE 264.A N CYS 260.A O no hydrogen 2.933 N/A GLU 265.A N GLU 261.A O no hydrogen 2.865 N/A ARG 266.A N ALA 262.A O no hydrogen 2.955 N/A LEU 267.A N ILE 264.A O no hydrogen 3.034 N/A TYR 268.A N ILE 264.A O no hydrogen 2.899 N/A GLU 270.A N LEU 267.A O no hydrogen 3.304 N/A LEU 271.A N LEU 267.A O no hydrogen 3.278 N/A GLU 272.A N TYR 268.A O no hydrogen 3.025 N/A ARG 273.A N PRO 269.A O no hydrogen 3.238 N/A ARG 273.A NE ARG 273.A O no hydrogen 2.899 N/A ARG 274.A NE GLU 270.A OE2 no hydrogen 3.250 N/A LEU 275.A N LEU 271.A O no hydrogen 3.340 N/A ALA 276.A N GLU 272.A O no hydrogen 2.696 N/A LYS 277.A NZ ARG 273.A O no hydrogen 3.519 N/A VAL 278.A N LEU 275.A O no hydrogen 3.249 N/A LYS 279.A N LEU 275.A O no hydrogen 2.952 N/A LEU 282.A N LYS 279.A O no hydrogen 2.931 N/A ARG 286.A N THR 338.A OG1 no hydrogen 2.665 N/A GLN 287.A N HIS 303.A O no hydrogen 2.934 N/A GLN 287.A NE2 ASN 309.A O no hydrogen 3.062 N/A GLY 288.A N HIS 336.A O no hydrogen 2.937 N/A VAL 289.A N GLN 301.A O no hydrogen 2.941 N/A LYS 290.A N GLY 334.A O no hydrogen 2.667 N/A LEU 291.A N THR 299.A O no hydrogen 2.903 N/A LYS 292.A N LEU 332.A O no hydrogen 3.152 N/A LYS 292.A NZ PHE 296.A O no hydrogen 3.298 N/A LYS 292.A NZ GLN 298.A OE1 no hydrogen 2.860 N/A PHE 293.A N GLN 297.A O no hydrogen 2.778 N/A ASP 294.A N GLY 329.A O no hydrogen 2.896 N/A PHE 296.A N PHE 293.A O no hydrogen 2.796 N/A GLN 297.A N ASP 295.A OD1 no hydrogen 3.092 N/A THR 299.A N LEU 291.A O no hydrogen 2.878 N/A GLN 301.A N VAL 289.A O no hydrogen 2.909 N/A HIS 303.A N GLN 287.A O no hydrogen 2.904 N/A HIS 303.A NE2 ASP 312.A OD2 no hydrogen 2.316 N/A TRP 305.A N ALA 285.A O no hydrogen 2.956 N/A TRP 305.A NE1 ASN 309.A OD1 no hydrogen 2.261 N/A LYS 310.A NZ GLU 265.A OE1 no hydrogen 2.573 N/A ILE 314.A N LYS 310.A O no hydrogen 2.931 N/A ALA 315.A N ALA 311.A O no hydrogen 2.933 N/A THR 316.A N ASP 312.A O no hydrogen 2.880 N/A THR 316.A OG1 ASP 312.A O no hydrogen 2.991 N/A THR 316.A OG1 LEU 313.A O no hydrogen 2.682 N/A ALA 317.A N LEU 313.A O no hydrogen 2.902 N/A ARG 318.A N ILE 314.A O no hydrogen 2.918 N/A LYS 319.A N ALA 315.A O no hydrogen 2.952 N/A THR 320.A N THR 316.A O no hydrogen 2.899 N/A THR 320.A OG1 GLN 301.A OE1 no hydrogen 2.293 N/A THR 320.A OG1 THR 316.A O no hydrogen 2.666 N/A TRP 321.A N ALA 317.A O no hydrogen 2.906 N/A ASP 322.A N ARG 318.A O no hydrogen 2.899 N/A GLU 323.A N LYS 319.A O no hydrogen 2.914 N/A ARG 324.A N THR 320.A O no hydrogen 2.924 N/A ARG 324.A NH1 THR 299.A OG1 no hydrogen 2.822 N/A ARG 324.A NH1 THR 300.A O no hydrogen 2.852 N/A ARG 325.A NH1 ARG 328.A O no hydrogen 2.711 N/A ARG 328.A N ARG 325.A O no hydrogen 3.067 N/A ARG 328.A NE ARG 325.A O no hydrogen 2.910 N/A ARG 328.A NH1 ASP 295.A OD2 no hydrogen 2.844 N/A ARG 328.A NH2 ARG 324.A O no hydrogen 2.819 N/A GLY 329.A N ASP 294.A OD2 no hydrogen 2.583 N/A VAL 330.A N ILE 254.A O no hydrogen 3.242 N/A ARG 331.A N LYS 292.A O no hydrogen 2.887 N/A LEU 332.A N LYS 292.A O no hydrogen 3.470 N/A VAL 333.A N ARG 248.A O no hydrogen 2.933 N/A GLY 334.A N LYS 290.A O no hydrogen 2.858 N/A LEU 335.A N VAL 246.A O no hydrogen 2.885 N/A HIS 336.A N GLY 288.A O no hydrogen 3.018 N/A HIS 336.A ND1 GLU 302.A OE2 no hydrogen 2.443 N/A VAL 337.A N VAL 244.A O no hydrogen 2.953 N/A THR 338.A OG1 ARG 286.A O no hydrogen 3.291 N/A