Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8vaq_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N GLY 1.A O no hydrogen 2.751 N/A SER 5.A OG GLN 7.A OE1 no hydrogen 3.486 N/A LYS 12.A N VAL 8.A O no hydrogen 2.872 N/A TRP 13.A NE1 GLU 197.A OE2 no hydrogen 2.786 N/A GLN 16.A NE2 ARG 14.A O no hydrogen 2.498 N/A THR 17.A OG1 ASP 20.A OD2 no hydrogen 2.647 N/A ASP 20.A N THR 17.A O no hydrogen 2.830 N/A GLN 24.A NE2 LYS 179.A O no hydrogen 2.383 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 2.639 N/A HIS 26.A NE2 HIS 177.A O no hydrogen 3.122 N/A LEU 28.A N GLN 24.A O no hydrogen 3.364 N/A THR 29.A N GLU 25.A O no hydrogen 2.898 N/A THR 29.A OG1 GLU 25.A O no hydrogen 2.911 N/A ALA 30.A N HIS 26.A O no hydrogen 2.901 N/A LEU 31.A N VAL 27.A O no hydrogen 2.918 N/A ALA 32.A N LEU 28.A O no hydrogen 2.878 N/A ASN 33.A N THR 29.A O no hydrogen 2.938 N/A GLY 34.A N ALA 30.A O no hydrogen 2.900 N/A LEU 35.A N LEU 31.A O no hydrogen 2.902 N/A SER 36.A N ALA 32.A O no hydrogen 2.889 N/A SER 36.A OG ASN 33.A O no hydrogen 2.670 N/A LEU 37.A N ASN 33.A O no hydrogen 2.917 N/A HIS 41.A N TYR 44.A OH no hydrogen 3.269 N/A HIS 42.A N HIS 41.A ND1 no hydrogen 2.968 N/A TYR 44.A N PHE 155.A O no hydrogen 2.913 N/A LEU 45.A N LEU 174.A O no hydrogen 2.914 N/A PHE 46.A N LEU 157.A O no hydrogen 2.704 N/A SER 47.A N PHE 176.A O no hydrogen 2.933 N/A ARG 50.A NH1 THR 49.A OG1 no hydrogen 3.055 N/A LYS 54.A NZ THR 49.A O no hydrogen 2.940 N/A THR 55.A OG1 ASP 129.A OD1 no hydrogen 3.437 N/A THR 55.A OG1 ASP 129.A OD2 no hydrogen 3.211 N/A SER 56.A OG GLY 53.A O no hydrogen 2.765 N/A ILE 57.A N GLY 53.A O no hydrogen 2.611 N/A ALA 58.A N LYS 54.A O no hydrogen 2.918 N/A ARG 59.A N THR 55.A O no hydrogen 2.859 N/A LEU 60.A N SER 56.A O no hydrogen 2.918 N/A LEU 61.A N ILE 57.A O no hydrogen 2.876 N/A ALA 62.A N ALA 58.A O no hydrogen 2.922 N/A LYS 63.A N ARG 59.A O no hydrogen 2.902 N/A LYS 63.A NZ GLN 16.A O no hydrogen 2.460 N/A GLY 64.A N LEU 60.A O no hydrogen 2.884 N/A LEU 65.A N LEU 61.A O no hydrogen 2.883 N/A ASN 66.A ND2 PHE 123.A O no hydrogen 3.285 N/A CYS 67.A N GLY 64.A O no hydrogen 3.186 N/A CYS 67.A SG THR 69.A OG1 no hydrogen 2.625 N/A GLY 70.A N CYS 67.A O no hydrogen 3.060 N/A THR 74.A N THR 72.A OG1 no hydrogen 3.240 N/A CYS 79.A SG GLU 68.A OE1 no hydrogen 3.337 N/A ASN 81.A ND2 ASN 66.A O no hydrogen 3.329 N/A ASN 81.A ND2 ARG 120.A O no hydrogen 2.950 N/A CYS 82.A SG CYS 76.A O no hydrogen 3.044 N/A ARG 83.A N CYS 79.A O no hydrogen 2.806 N/A GLU 84.A N ASP 80.A O no hydrogen 2.876 N/A ILE 85.A N ASN 81.A O no hydrogen 2.905 N/A GLU 86.A N CYS 82.A O no hydrogen 2.959 N/A GLN 87.A N ARG 83.A O no hydrogen 2.922 N/A GLY 88.A N ILE 85.A O no hydrogen 3.277 N/A ILE 94.A N VAL 125.A O no hydrogen 2.943 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.530 N/A ILE 96.A N LEU 127.A O no hydrogen 2.885 N/A ALA 98.A N ASP 129.A O no hydrogen 2.984 N/A SER 100.A N ASP 97.A O no hydrogen 2.762 N/A SER 100.A N ASP 97.A OD1 no hydrogen 2.874 N/A ARG 101.A N ASP 97.A O no hydrogen 2.861 N/A THR 107.A N LYS 103.A O no hydrogen 3.285 N/A THR 107.A OG1 ARG 101.A O no hydrogen 3.299 N/A THR 107.A OG1 LYS 103.A O no hydrogen 3.242 N/A ARG 108.A N VAL 104.A O no hydrogen 2.858 N/A ASP 109.A N GLU 105.A O no hydrogen 2.920 N/A LEU 110.A N ASP 106.A O no hydrogen 2.919 N/A LEU 111.A N THR 107.A O no hydrogen 2.859 N/A ASP 112.A N ARG 108.A O no hydrogen 2.915 N/A TYR 116.A N ASN 113.A O no hydrogen 3.160 N/A ALA 119.A N ASP 92.A OD1 no hydrogen 2.631 N/A ARG 120.A N ASP 92.A OD2 no hydrogen 2.751 N/A PHE 123.A N ASN 66.A OD1 no hydrogen 3.132 N/A LYS 124.A N HIS 152.A O no hydrogen 2.555 N/A VAL 125.A N ASP 92.A O no hydrogen 3.099 N/A TYR 126.A N LYS 154.A O no hydrogen 3.092 N/A LEU 127.A N ILE 94.A O no hydrogen 2.862 N/A ILE 128.A N LEU 156.A O no hydrogen 3.160 N/A ASP 129.A N ILE 96.A O no hydrogen 2.906 N/A VAL 131.A N ALA 158.A O no hydrogen 2.854 N/A SER 135.A N THR 102.A O no hydrogen 3.352 N/A SER 135.A OG THR 102.A O no hydrogen 3.265 N/A SER 135.A OG SER 138.A OG no hydrogen 2.637 N/A SER 138.A N SER 135.A OG no hydrogen 3.069 N/A SER 138.A OG THR 102.A O no hydrogen 3.464 N/A SER 138.A OG SER 135.A O no hydrogen 2.253 N/A SER 138.A OG SER 135.A OG no hydrogen 2.637 N/A PHE 139.A N SER 135.A O no hydrogen 2.872 N/A ASN 140.A N ARG 136.A O no hydrogen 2.916 N/A ALA 141.A N HIS 137.A O no hydrogen 2.930 N/A LEU 142.A N SER 138.A O no hydrogen 2.889 N/A LEU 143.A N PHE 139.A O no hydrogen 2.849 N/A LYS 144.A N ASN 140.A O no hydrogen 2.920 N/A THR 145.A N ALA 141.A O no hydrogen 2.949 N/A THR 145.A OG1 ALA 141.A O no hydrogen 3.268 N/A LEU 146.A N LEU 142.A O no hydrogen 2.885 N/A GLU 147.A N LEU 143.A O no hydrogen 2.885 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.526 N/A VAL 153.A N PRO 150.A O no hydrogen 3.283 N/A LYS 154.A N LYS 124.A O no hydrogen 3.169 N/A PHE 155.A N HIS 42.A O no hydrogen 3.267 N/A LEU 156.A N TYR 126.A O no hydrogen 2.731 N/A LEU 157.A N TYR 44.A O no hydrogen 2.879 N/A ALA 158.A N ILE 128.A O no hydrogen 3.151 N/A THR 159.A OG1 HIS 132.A ND1 no hydrogen 3.310 N/A THR 159.A OG1 ASP 161.A O no hydrogen 3.275 N/A LEU 165.A N PRO 162.A O no hydrogen 3.268 N/A ILE 169.A N PRO 166.A O no hydrogen 3.212 N/A LEU 170.A N PRO 166.A O no hydrogen 3.284 N/A SER 171.A N VAL 167.A O no hydrogen 2.908 N/A SER 171.A OG VAL 167.A O no hydrogen 3.228 N/A SER 171.A OG THR 168.A O no hydrogen 3.099 N/A ARG 172.A N ILE 169.A O no hydrogen 3.178 N/A ARG 172.A NH2 LEU 146.A O no hydrogen 3.540 N/A CYS 173.A N LEU 170.A O no hydrogen 3.157 N/A CYS 173.A SG ILE 169.A O no hydrogen 3.191 N/A LEU 174.A N ALA 43.A O no hydrogen 2.895 N/A PHE 176.A N LEU 45.A O no hydrogen 2.898 N/A LEU 178.A N SER 47.A O no hydrogen 2.859 N/A LYS 179.A N GLN 24.A OE1 no hydrogen 2.705 N/A LEU 181.A N GLY 215.A O no hydrogen 2.771 N/A VAL 183.A N ASP 182.A OD1 no hydrogen 2.647 N/A ILE 186.A N ASP 182.A O no hydrogen 3.101 N/A ARG 187.A N VAL 183.A O no hydrogen 2.898 N/A ARG 187.A NE GLU 184.A OE1 no hydrogen 3.405 N/A ARG 187.A NH1 GLU 191.A OE1 no hydrogen 3.506 N/A HIS 188.A N GLU 184.A O no hydrogen 2.887 N/A GLN 189.A N GLN 185.A O no hydrogen 2.950 N/A LEU 190.A N ILE 186.A O no hydrogen 2.876 N/A GLU 191.A N ARG 187.A O no hydrogen 2.883 N/A HIS 192.A N HIS 188.A O no hydrogen 2.974 N/A HIS 192.A ND1 HIS 188.A O no hydrogen 3.186 N/A ILE 193.A N GLN 189.A O no hydrogen 2.845 N/A LEU 194.A N LEU 190.A O no hydrogen 2.906 N/A ASN 195.A N GLU 191.A O no hydrogen 2.904 N/A GLU 196.A N HIS 192.A O no hydrogen 2.884 N/A GLU 197.A N ILE 193.A O no hydrogen 3.078 N/A LEU 206.A N GLU 202.A O no hydrogen 2.884 N/A GLN 207.A N PRO 203.A O no hydrogen 2.913 N/A LEU 208.A N ARG 204.A O no hydrogen 2.878 N/A LEU 209.A N ALA 205.A O no hydrogen 2.920 N/A ALA 210.A N LEU 206.A O no hydrogen 2.910 N/A ARG 211.A N GLN 207.A O no hydrogen 2.900 N/A ALA 212.A N LEU 208.A O no hydrogen 2.897 N/A ALA 213.A N LEU 209.A O no hydrogen 3.401 N/A GLY 215.A N ALA 213.A O no hydrogen 2.900 N/A SER 216.A OG ARG 50.A O no hydrogen 2.623 N/A SER 216.A OG GLY 51.A O no hydrogen 3.129 N/A LEU 217.A N GLY 51.A O no hydrogen 2.742 N/A ALA 220.A N SER 216.A O no hydrogen 3.149 N/A LEU 221.A N LEU 217.A O no hydrogen 2.926 N/A SER 222.A N ARG 218.A O no hydrogen 2.867 N/A LEU 223.A N ASP 219.A O no hydrogen 2.920 N/A THR 224.A N ALA 220.A O no hydrogen 2.866 N/A THR 224.A OG1 ALA 220.A O no hydrogen 2.777 N/A ASP 225.A N LEU 221.A O no hydrogen 2.923 N/A GLN 226.A N SER 222.A O no hydrogen 2.935 N/A ALA 227.A N LEU 223.A O no hydrogen 2.849 N/A ILE 228.A N THR 224.A O no hydrogen 2.908 N/A ALA 229.A N ASP 225.A O no hydrogen 2.933 N/A SER 230.A N GLN 226.A O no hydrogen 2.906 N/A GLY 231.A N ALA 227.A O no hydrogen 2.450 N/A GLY 233.A N ILE 228.A O no hydrogen 3.273 N/A GLN 234.A N GLY 231.A O no hydrogen 3.071 N/A VAL 235.A N ALA 200.A O no hydrogen 3.321 N/A VAL 240.A N SER 236.A O no hydrogen 3.094 N/A SER 241.A N THR 237.A O no hydrogen 2.892 N/A SER 241.A OG THR 237.A O no hydrogen 2.520 N/A ALA 242.A N GLN 238.A O no hydrogen 2.926 N/A MET 243.A N ALA 239.A O no hydrogen 2.895 N/A LEU 244.A N VAL 240.A O no hydrogen 2.879 N/A GLY 245.A N SER 241.A O no hydrogen 2.892 N/A THR 246.A N ALA 242.A O no hydrogen 2.925 N/A THR 246.A OG1 ALA 242.A O no hydrogen 3.447 N/A THR 246.A OG1 MET 243.A O no hydrogen 2.250 N/A LEU 247.A N MET 243.A O no hydrogen 2.892 N/A ASP 248.A N GLY 245.A O no hydrogen 3.204 N/A GLN 251.A N ASP 249.A O no hydrogen 2.576 N/A GLN 251.A NE2 ASP 248.A O no hydrogen 3.602 N/A LEU 255.A N GLN 251.A O no hydrogen 2.869 N/A VAL 256.A N ALA 252.A O no hydrogen 2.889 N/A GLU 257.A N LEU 253.A O no hydrogen 2.919 N/A ALA 258.A N SER 254.A O no hydrogen 2.892 N/A MET 259.A N LEU 255.A O no hydrogen 2.852 N/A VAL 260.A N VAL 256.A O no hydrogen 2.905 N/A GLU 261.A N GLU 257.A O no hydrogen 3.287 N/A ALA 262.A N MET 259.A O no hydrogen 3.184 N/A ASN 263.A N ALA 258.A O no hydrogen 3.108 N/A ARG 266.A N ASN 263.A OD1 no hydrogen 3.334 N/A VAL 267.A N ASN 263.A O no hydrogen 3.012 N/A MET 268.A N GLY 264.A O no hydrogen 2.929 N/A ALA 269.A N GLU 265.A O no hydrogen 2.918 N/A LEU 270.A N ARG 266.A O no hydrogen 2.889 N/A ILE 271.A N VAL 267.A O no hydrogen 2.893 N/A ASN 272.A N MET 268.A O no hydrogen 2.911 N/A GLU 273.A N ALA 269.A O no hydrogen 2.912 N/A ALA 274.A N LEU 270.A O no hydrogen 2.880 N/A ALA 275.A N ILE 271.A O no hydrogen 2.882 N/A ALA 276.A N ASN 272.A O no hydrogen 2.928 N/A ARG 277.A N GLU 273.A O no hydrogen 2.852 N/A LEU 284.A N GLU 280.A O no hydrogen 3.075 N/A LEU 285.A N TRP 281.A O no hydrogen 2.926 N/A VAL 286.A N GLU 282.A O no hydrogen 2.888 N/A GLU 287.A N ALA 283.A O no hydrogen 2.898 N/A MET 288.A N LEU 284.A O no hydrogen 2.917 N/A LEU 289.A N LEU 285.A O no hydrogen 2.895 N/A GLY 290.A N VAL 286.A O no hydrogen 2.879 N/A LEU 291.A N GLU 287.A O no hydrogen 2.897 N/A LEU 292.A N MET 288.A O no hydrogen 2.948 N/A HIS 293.A N LEU 289.A O no hydrogen 2.902 N/A ARG 294.A N GLY 290.A O no hydrogen 2.906 N/A ARG 294.A NH1 ALA 304.A O no hydrogen 3.461 N/A ILE 295.A N LEU 291.A O no hydrogen 2.906 N/A ALA 296.A N LEU 292.A O no hydrogen 2.907 N/A MET 297.A N HIS 293.A O no hydrogen 2.921 N/A VAL 298.A N ARG 294.A O no hydrogen 2.874 N/A GLN 299.A N ILE 295.A O no hydrogen 3.467 N/A GLN 299.A NE2 ALA 320.A O no hydrogen 2.907 N/A LEU 300.A N MET 297.A O no hydrogen 3.049 N/A SER 301.A N MET 297.A O no hydrogen 3.375 N/A ALA 304.A N SER 301.A O no hydrogen 3.207 N/A LEU 305.A N PRO 302.A O no hydrogen 2.946 N/A ALA 310.A N ASN 307.A O no hydrogen 3.157 N/A ILE 312.A N MET 309.A O no hydrogen 3.064 N/A ARG 315.A NE GLU 257.A OE2 no hydrogen 2.848 N/A ARG 315.A NH2 GLU 257.A OE1 no hydrogen 2.557 N/A ARG 315.A NH2 GLU 257.A OE2 no hydrogen 3.436 N/A MET 316.A N ILE 312.A O no hydrogen 3.235 N/A ARG 317.A N GLU 313.A O no hydrogen 2.904 N/A LEU 319.A N ARG 315.A O no hydrogen 2.929 N/A ALA 320.A N MET 316.A O no hydrogen 2.877 N/A ARG 321.A N ARG 317.A O no hydrogen 2.931 N/A THR 322.A N GLU 318.A O no hydrogen 2.917 N/A THR 322.A OG1 GLU 318.A O no hydrogen 2.539 N/A THR 322.A OG1 GLU 318.A OE2 no hydrogen 3.460 N/A ILE 328.A N PRO 324.A O no hydrogen 3.366 N/A GLN 329.A N PRO 325.A O no hydrogen 2.902 N/A LEU 330.A N THR 326.A O no hydrogen 2.917 N/A TYR 331.A N ASP 327.A O no hydrogen 2.911 N/A TYR 332.A N ILE 328.A O no hydrogen 2.875 N/A GLN 333.A N GLN 329.A O no hydrogen 2.926 N/A THR 334.A N LEU 330.A O no hydrogen 2.910 N/A THR 334.A OG1 LEU 330.A O no hydrogen 3.030 N/A LEU 335.A N TYR 331.A O no hydrogen 2.900 N/A LEU 336.A N TYR 332.A O no hydrogen 2.882 N/A ILE 337.A N GLN 333.A O no hydrogen 2.936 N/A GLY 338.A N THR 334.A O no hydrogen 2.892 N/A ARG 339.A N LEU 335.A O no hydrogen 2.868 N/A LYS 340.A N LEU 336.A O no hydrogen 2.954 N/A GLU 341.A N ILE 337.A O no hydrogen 2.893 N/A LEU 342.A N ARG 339.A O no hydrogen 3.369 N/A ALA 345.A N LEU 342.A O no hydrogen 2.953 N/A MET 350.A N ASP 347.A O no hydrogen 2.642 N/A MET 350.A N ASP 347.A OD1 no hydrogen 3.413 N/A VAL 352.A N ARG 348.A O no hydrogen 2.919 N/A GLU 353.A N ARG 349.A O no hydrogen 2.940 N/A MET 354.A N MET 350.A O no hydrogen 2.903 N/A THR 355.A N GLY 351.A O no hydrogen 2.916 N/A THR 355.A OG1 GLY 351.A O no hydrogen 3.138 N/A LEU 356.A N VAL 352.A O no hydrogen 2.939 N/A LEU 357.A N GLU 353.A O no hydrogen 2.903 N/A ARG 358.A N MET 354.A O no hydrogen 2.875 N/A ARG 358.A NH1 GLU 341.A OE1 no hydrogen 2.373 N/A ARG 358.A NH1 GLU 341.A OE2 no hydrogen 3.354 N/A ARG 358.A NH2 GLU 341.A OE2 no hydrogen 3.449 N/A ALA 359.A N THR 355.A O no hydrogen 2.949 N/A LEU 360.A N LEU 356.A O no hydrogen 2.877 N/A ALA 361.A N LEU 357.A O no hydrogen 2.936 N/A PHE 362.A N ALA 359.A O no hydrogen 3.486 N/A