Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qi1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 6.A N PHE 3.A O no hydrogen 2.919 N/A VAL 7.A N VAL 4.A O no hydrogen 3.266 N/A ASP 8.A N SER 170.A OG no hydrogen 2.868 N/A ASN 9.A ND2 HIS 93.A O no hydrogen 2.809 N/A ASN 9.A ND2 MET 171.A O no hydrogen 3.069 N/A LEU 10.A N GLY 169.A O no hydrogen 2.947 N/A ARG 11.A N TYR 19.A O no hydrogen 2.972 N/A ARG 11.A NH1 ASP 8.A OD2 no hydrogen 2.840 N/A ARG 11.A NH2 ASP 8.A O no hydrogen 3.540 N/A ARG 11.A NH2 ASP 8.A OD1 no hydrogen 3.012 N/A ARG 11.A NH2 LEU 10.A O no hydrogen 2.766 N/A LYS 13.A NZ GLY 116.A O no hydrogen 2.926 N/A SER 14.A N ALA 165.A O no hydrogen 2.942 N/A GLN 16.A N LYS 13.A O no hydrogen 2.908 N/A TYR 18.A OH GLU 336.A OE1 no hydrogen 2.517 N/A TYR 19.A N ARG 11.A O no hydrogen 2.819 N/A VAL 20.A N ILE 33.A O no hydrogen 2.901 N/A MET 22.A N LEU 31.A O no hydrogen 2.953 N/A THR 23.A N SER 90.A O no hydrogen 2.849 N/A VAL 24.A N GLN 29.A O no hydrogen 2.846 N/A GLY 25.A N LEU 88.A O no hydrogen 2.853 N/A SER 26.A N SER 61.A OG no hydrogen 2.995 N/A SER 26.A OG THR 63.A OG1 no hydrogen 2.709 N/A GLN 29.A N VAL 24.A O no hydrogen 2.837 N/A GLN 29.A NE2 GLN 57.A O no hydrogen 3.030 N/A LEU 31.A N MET 22.A O no hydrogen 2.837 N/A ASN 32.A N GLU 120.A OE2 no hydrogen 2.713 N/A ASN 32.A ND2 ASN 118.A O no hydrogen 3.045 N/A ILE 33.A N VAL 20.A O no hydrogen 2.876 N/A LEU 34.A N GLY 121.A O no hydrogen 2.695 N/A VAL 35.A N TYR 18.A O no hydrogen 2.766 N/A ASP 36.A N LEU 123.A O no hydrogen 2.896 N/A THR 37.A N SER 226.A OG no hydrogen 3.064 N/A THR 37.A OG1 VAL 224.A O no hydrogen 2.942 N/A GLY 38.A N ASP 36.A OD2 no hydrogen 2.924 N/A SER 39.A OG ASP 36.A OD1 no hydrogen 2.571 N/A SER 40.A OG TYR 127.A O no hydrogen 2.552 N/A ASN 41.A ND2 ARG 132.A O no hydrogen 2.777 N/A ALA 43.A N ILE 122.A O no hydrogen 2.959 N/A VAL 44.A N ALA 104.A O no hydrogen 3.048 N/A GLY 45.A N GLU 120.A O no hydrogen 2.760 N/A ALA 46.A N ILE 106.A O no hydrogen 2.833 N/A PHE 51.A N HIS 49.A ND1 no hydrogen 3.109 N/A LEU 52.A N HIS 49.A O no hydrogen 3.099 N/A ARG 54.A NE GLU 120.A OE2 no hydrogen 3.288 N/A ARG 54.A NH2 GLU 120.A OE2 no hydrogen 3.544 N/A TYR 56.A N GLY 45.A O no hydrogen 2.852 N/A TYR 56.A OH ASP 87.A OD2 no hydrogen 2.604 N/A GLN 57.A N GLN 29.A OE1 no hydrogen 2.823 N/A ARG 58.A NH2 ALA 46.A O no hydrogen 3.359 N/A GLN 59.A N GLN 59.A OE1 no hydrogen 2.902 N/A LEU 60.A N GLN 57.A O no hydrogen 3.036 N/A SER 61.A N ARG 58.A O no hydrogen 2.994 N/A SER 61.A OG ASP 87.A OD1 no hydrogen 3.283 N/A SER 61.A OG ASP 87.A OD2 no hydrogen 2.670 N/A SER 62.A N SER 26.A O no hydrogen 2.807 N/A SER 62.A OG SER 26.A O no hydrogen 3.071 N/A THR 63.A OG1 SER 26.A OG no hydrogen 2.709 N/A THR 63.A OG1 SER 61.A OG no hydrogen 3.361 N/A THR 63.A OG1 ASP 87.A OD1 no hydrogen 2.585 N/A TYR 64.A N SER 61.A O no hydrogen 3.401 N/A ARG 65.A N THR 86.A O no hydrogen 2.872 N/A LEU 67.A N LEU 84.A O no hydrogen 3.072 N/A ARG 68.A N ASP 66.A OD1 no hydrogen 2.904 N/A VAL 73.A N TRP 80.A O no hydrogen 2.837 N/A TYR 75.A N GLY 78.A O no hydrogen 2.782 N/A ALA 79.A N ASP 110.A O no hydrogen 2.950 N/A TRP 80.A N VAL 73.A O no hydrogen 3.090 N/A TRP 80.A NE1 TYR 75.A OH no hydrogen 2.943 N/A ALA 81.A N GLU 108.A O no hydrogen 2.949 N/A GLY 82.A N VAL 71.A O no hydrogen 2.993 N/A GLU 83.A N ALA 105.A O no hydrogen 3.191 N/A LEU 84.A N LYS 69.A O no hydrogen 2.925 N/A GLY 85.A N ILE 103.A O no hydrogen 2.950 N/A THR 86.A N ARG 65.A O no hydrogen 2.747 N/A ASP 87.A N ALA 101.A O no hydrogen 3.200 N/A LEU 88.A N ASP 87.A OD1 no hydrogen 2.862 N/A VAL 89.A N VAL 99.A O no hydrogen 2.814 N/A SER 90.A N THR 23.A O no hydrogen 3.144 N/A SER 90.A OG THR 23.A OG1 no hydrogen 3.142 N/A GLY 94.A N ILE 91.A O no hydrogen 2.933 N/A VAL 99.A N VAL 89.A O no hydrogen 2.860 N/A ARG 100.A N GLN 147.A OE1 no hydrogen 2.724 N/A ARG 100.A NH1 THR 63.A O no hydrogen 3.055 N/A ARG 100.A NH1 THR 86.A OG1 no hydrogen 2.799 N/A ARG 100.A NH2 THR 63.A O no hydrogen 3.016 N/A ALA 101.A N ASP 87.A O no hydrogen 3.030 N/A ILE 103.A N GLY 85.A O no hydrogen 2.851 N/A ALA 104.A N PHE 42.A O no hydrogen 3.069 N/A ALA 105.A N GLU 83.A O no hydrogen 2.742 N/A ILE 106.A N VAL 44.A O no hydrogen 2.801 N/A THR 107.A N ALA 81.A O no hydrogen 3.071 N/A GLU 108.A N ALA 81.A O no hydrogen 3.262 N/A ASP 110.A N ALA 79.A O no hydrogen 2.985 N/A TRP 119.A N SER 117.A OG no hydrogen 3.293 N/A TRP 119.A NE1 GLN 16.A O no hydrogen 2.960 N/A GLU 120.A N ASN 32.A O no hydrogen 2.710 N/A ILE 122.A N ALA 43.A O no hydrogen 2.801 N/A LEU 123.A N LEU 34.A O no hydrogen 2.748 N/A GLY 124.A N ASN 41.A O no hydrogen 2.944 N/A LEU 125.A N ASP 36.A O no hydrogen 2.796 N/A ALA 126.A N SER 39.A O no hydrogen 2.973 N/A TYR 127.A N TRP 194.A O no hydrogen 3.030 N/A ILE 130.A N TYR 127.A O no hydrogen 3.218 N/A ALA 131.A N ALA 128.A O no hydrogen 2.914 N/A ARG 132.A N ASN 41.A OD1 no hydrogen 2.978 N/A SER 136.A N ASP 134.A OD2 no hydrogen 3.038 N/A SER 136.A OG ASP 134.A OD2 no hydrogen 2.727 N/A LEU 137.A N ASP 134.A O no hydrogen 3.195 N/A SER 143.A N PRO 139.A O no hydrogen 3.259 N/A SER 143.A OG GLU 138.A OE2 no hydrogen 2.545 N/A LEU 144.A N PHE 140.A O no hydrogen 2.978 N/A VAL 145.A N PHE 141.A O no hydrogen 2.970 N/A LYS 146.A N ASP 142.A O no hydrogen 3.019 N/A GLN 147.A N SER 143.A O no hydrogen 2.889 N/A GLN 147.A NE2 ARG 100.A O no hydrogen 2.653 N/A THR 148.A N LEU 144.A O no hydrogen 3.132 N/A THR 148.A OG1 LEU 144.A O no hydrogen 2.567 N/A LEU 153.A N PRO 151.A O no hydrogen 3.007 N/A PHE 154.A N PHE 342.A O no hydrogen 3.456 N/A SER 155.A N ILE 172.A O no hydrogen 2.755 N/A SER 155.A OG GLY 175.A O no hydrogen 3.049 N/A SER 155.A OG TYR 339.A OH no hydrogen 2.641 N/A LEU 156.A N VAL 340.A O no hydrogen 2.691 N/A GLN 157.A N SER 170.A O no hydrogen 2.860 N/A GLN 157.A NE2 LEU 180.A O no hydrogen 3.694 N/A CYS 159.A N GLY 168.A O no hydrogen 2.855 N/A GLY 160.A N TYR 18.A OH no hydrogen 3.026 N/A VAL 167.A N GLY 12.A O no hydrogen 2.915 N/A SER 170.A N GLN 157.A O no hydrogen 2.939 N/A SER 170.A OG GLN 157.A OE1 no hydrogen 2.697 N/A MET 171.A N ASN 9.A OD1 no hydrogen 2.795 N/A ILE 172.A N SER 155.A O no hydrogen 3.011 N/A GLY 174.A N LEU 153.A O no hydrogen 2.710 N/A ASP 177.A N TYR 339.A OH no hydrogen 2.983 N/A HIS 178.A ND1 TYR 181.A OH no hydrogen 2.848 N/A SER 179.A N ASP 177.A OD2 no hydrogen 3.016 N/A SER 179.A OG ASP 177.A OD2 no hydrogen 2.776 N/A LEU 180.A N ASP 177.A O no hydrogen 3.260 N/A TYR 181.A OH HIS 178.A ND1 no hydrogen 2.848 N/A THR 182.A N VAL 353.A O no hydrogen 2.969 N/A TRP 186.A N PHE 351.A O no hydrogen 3.022 N/A THR 188.A N ILE 349.A O no hydrogen 2.761 N/A THR 188.A OG1 MET 285.A O no hydrogen 2.479 N/A ILE 190.A N LYS 347.A O no hydrogen 2.872 N/A ARG 191.A N GLU 197.A O no hydrogen 2.710 N/A ARG 191.A NH1 GLU 197.A OE2 no hydrogen 3.021 N/A ARG 191.A NH1 TYR 381.A O no hydrogen 3.166 N/A ARG 191.A NH2 TYR 381.A O no hydrogen 2.906 N/A ARG 192.A NE GLU 129.A OE1 no hydrogen 3.258 N/A ARG 192.A NH1 GLU 129.A OE1 no hydrogen 3.096 N/A ARG 192.A NH1 GLU 129.A OE2 no hydrogen 2.523 N/A TRP 194.A N ARG 192.A O no hydrogen 3.088 N/A TRP 194.A N TYR 195.A O no hydrogen 3.057 N/A TRP 194.A NE1 GLU 197.A OE1 no hydrogen 2.873 N/A TYR 196.A OH LEU 125.A O no hydrogen 2.642 N/A VAL 198.A N SER 222.A O no hydrogen 2.966 N/A ILE 200.A N ASN 218.A OD1 no hydrogen 2.846 N/A VAL 201.A N TYR 283.A O no hydrogen 2.836 N/A ARG 202.A NE GLU 204.A OE2 no hydrogen 2.534 N/A ARG 202.A NH2 GLU 204.A OE2 no hydrogen 2.894 N/A GLU 204.A N SER 281.A O no hydrogen 3.066 N/A ILE 205.A N GLN 208.A O no hydrogen 2.883 N/A ASN 206.A N VAL 279.A O no hydrogen 2.855 N/A GLN 208.A N ILE 205.A O no hydrogen 2.995 N/A LEU 210.A N VAL 203.A O no hydrogen 2.943 N/A LYS 211.A N ASP 209.A OD1 no hydrogen 2.650 N/A MET 212.A N TYR 217.A OH no hydrogen 3.352 N/A LYS 215.A N ASP 213.A OD1 no hydrogen 3.477 N/A LYS 215.A NZ ASP 378.A O no hydrogen 2.666 N/A LYS 215.A NZ GLY 380.A O no hydrogen 3.274 N/A GLU 216.A N ASP 213.A O no hydrogen 2.935 N/A TYR 217.A N CYS 214.A O no hydrogen 3.237 N/A ASN 218.A N LYS 215.A O no hydrogen 3.186 N/A ASN 218.A ND2 ILE 200.A O no hydrogen 2.970 N/A ASN 218.A ND2 CYS 379.A O no hydrogen 2.872 N/A LYS 221.A NZ ASP 220.A OD2 no hydrogen 2.664 N/A LYS 221.A NZ THR 326.A O no hydrogen 2.742 N/A SER 222.A OG TYR 217.A O no hydrogen 3.264 N/A SER 222.A OG ASN 218.A OD1 no hydrogen 2.792 N/A ILE 223.A N THR 328.A O no hydrogen 2.884 N/A VAL 224.A N TYR 196.A O no hydrogen 3.105 N/A ASP 225.A N MET 330.A O no hydrogen 3.093 N/A SER 226.A N THR 37.A OG1 no hydrogen 2.853 N/A SER 226.A OG VAL 35.A O no hydrogen 2.744 N/A GLY 227.A N ASP 225.A OD1 no hydrogen 2.840 N/A THR 228.A N ASP 225.A O no hydrogen 3.356 N/A THR 228.A OG1 ASP 225.A OD2 no hydrogen 2.456 N/A THR 229.A OG1 GLY 15.A O no hydrogen 3.500 N/A LEU 231.A N ALA 320.A O no hydrogen 3.081 N/A ARG 232.A N VAL 329.A O no hydrogen 3.000 N/A LEU 233.A N SER 322.A O no hydrogen 2.941 N/A LYS 235.A N SER 324.A O no hydrogen 3.107 N/A LYS 235.A NZ GLU 239.A OE1 no hydrogen 3.468 N/A PHE 238.A N PRO 234.A O no hydrogen 2.847 N/A GLU 239.A N LYS 235.A O no hydrogen 3.072 N/A ALA 240.A N LYS 236.A O no hydrogen 3.160 N/A ALA 241.A N VAL 237.A O no hydrogen 2.953 N/A VAL 242.A N PHE 238.A O no hydrogen 2.787 N/A LYS 243.A N GLU 239.A O no hydrogen 2.955 N/A SER 244.A N ALA 240.A O no hydrogen 3.004 N/A ILE 245.A N ALA 241.A O no hydrogen 3.000 N/A LYS 246.A N VAL 242.A O no hydrogen 2.968 N/A ALA 247.A N LYS 243.A O no hydrogen 3.036 N/A ALA 248.A N SER 244.A O no hydrogen 3.135 N/A SER 249.A N ILE 245.A O no hydrogen 3.211 N/A SER 249.A OG ILE 245.A O no hydrogen 2.640 N/A SER 249.A OG LYS 246.A O no hydrogen 3.393 N/A SER 250.A N ALA 247.A O no hydrogen 3.369 N/A SER 250.A OG ALA 247.A O no hydrogen 2.893 N/A PHE 258.A N PRO 255.A O no hydrogen 2.904 N/A GLY 261.A N PHE 258.A O no hydrogen 3.056 N/A GLU 262.A N GLY 257.A O no hydrogen 2.681 N/A GLN 263.A N GLY 257.A O no hydrogen 3.161 N/A VAL 265.A N TYR 317.A O no hydrogen 3.005 N/A TRP 267.A N ASP 315.A O no hydrogen 2.756 N/A TRP 267.A NE1 GLU 252.A OE1 no hydrogen 2.864 N/A GLY 270.A N ASP 315.A OD2 no hydrogen 3.450 N/A THR 271.A N GLN 268.A O no hydrogen 2.914 N/A THR 271.A OG1 GLN 268.A O no hydrogen 2.774 N/A THR 272.A OG1 TYR 317.A OH no hydrogen 2.905 N/A ILE 276.A N PRO 273.A O no hydrogen 3.013 N/A PHE 277.A N TRP 274.A O no hydrogen 3.094 N/A VAL 279.A N ASN 206.A OD1 no hydrogen 3.401 N/A ILE 280.A N ILE 297.A O no hydrogen 2.875 N/A SER 281.A N GLU 204.A O no hydrogen 2.867 N/A SER 281.A OG THR 296.A OG1 no hydrogen 2.814 N/A LEU 282.A N ILE 295.A O no hydrogen 2.853 N/A TYR 283.A N ARG 202.A O no hydrogen 2.849 N/A TYR 283.A OH GLU 204.A OE1 no hydrogen 2.607 N/A TYR 283.A OH GLU 204.A OE2 no hydrogen 2.895 N/A LEU 284.A N PHE 293.A O no hydrogen 2.793 N/A MET 285.A N ILE 199.A O no hydrogen 2.924 N/A GLY 286.A N GLN 291.A O no hydrogen 2.707 N/A GLN 291.A N VAL 288.A O no hydrogen 2.924 N/A SER 292.A N PHE 371.A O no hydrogen 2.873 N/A SER 292.A OG PHE 371.A O no hydrogen 3.135 N/A SER 292.A OG THR 373.A OG1 no hydrogen 3.210 N/A PHE 293.A N LEU 284.A O no hydrogen 3.281 N/A ARG 294.A N GLU 368.A O no hydrogen 2.735 N/A ARG 294.A NE GLU 368.A OE2 no hydrogen 2.784 N/A ARG 294.A NH1 TYR 283.A OH no hydrogen 2.899 N/A ARG 294.A NH2 GLU 368.A OE2 no hydrogen 2.889 N/A ILE 295.A N LEU 282.A O no hydrogen 3.011 N/A THR 296.A N ALA 366.A O no hydrogen 3.071 N/A THR 296.A OG1 SER 281.A OG no hydrogen 2.814 N/A ILE 297.A N ILE 280.A O no hydrogen 2.700 N/A LEU 298.A N GLN 301.A OE1 no hydrogen 3.389 N/A GLN 300.A N GLN 300.A OE1 no hydrogen 2.917 N/A GLN 300.A NE2 ASP 360.A OD2 no hydrogen 2.819 N/A GLN 301.A N LEU 298.A O no hydrogen 2.847 N/A GLN 301.A NE2 VAL 333.A O no hydrogen 3.622 N/A TYR 302.A N LEU 298.A O no hydrogen 3.368 N/A TYR 302.A OH PRO 278.A O no hydrogen 2.457 N/A LEU 303.A N PRO 299.A O no hydrogen 2.932 N/A ARG 304.A N LYS 318.A O no hydrogen 2.786 N/A VAL 306.A N CYS 316.A O no hydrogen 3.138 N/A ALA 310.A N ASP 308.A OD2 no hydrogen 2.762 N/A SER 312.A OG ALA 310.A O no hydrogen 3.343 N/A ASP 315.A N TRP 267.A O no hydrogen 2.724 N/A TYR 317.A N VAL 265.A O no hydrogen 2.983 N/A TYR 317.A OH THR 272.A OG1 no hydrogen 2.905 N/A LYS 318.A N ARG 304.A O no hydrogen 2.949 N/A ALA 320.A N TYR 302.A O no hydrogen 2.927 N/A SER 322.A N LEU 231.A O no hydrogen 2.962 N/A SER 324.A N LEU 233.A O no hydrogen 2.828 N/A SER 324.A OG THR 326.A OG1 no hydrogen 3.245 N/A SER 324.A OG GLY 327.A O no hydrogen 2.701 N/A THR 326.A N SER 324.A OG no hydrogen 3.092 N/A THR 326.A OG1 SER 324.A OG no hydrogen 3.245 N/A THR 328.A N LYS 221.A O no hydrogen 2.746 N/A THR 328.A OG1 TYR 217.A O no hydrogen 2.675 N/A VAL 329.A N ARG 232.A O no hydrogen 2.816 N/A MET 330.A N ILE 223.A O no hydrogen 2.718 N/A GLY 331.A N ASN 230.A O no hydrogen 3.214 N/A ALA 332.A N THR 228.A O no hydrogen 2.715 N/A VAL 333.A N THR 229.A O no hydrogen 2.822 N/A ILE 334.A N GLY 331.A O no hydrogen 2.912 N/A MET 335.A N GLY 331.A O no hydrogen 3.057 N/A GLU 336.A N ALA 332.A O no hydrogen 2.795 N/A GLY 337.A N LEU 158.A O no hydrogen 3.090 N/A PHE 338.A N MET 335.A O no hydrogen 2.960 N/A TYR 339.A N ALA 352.A O no hydrogen 2.765 N/A VAL 340.A N LEU 156.A O no hydrogen 2.991 N/A VAL 341.A N GLY 350.A O no hydrogen 2.931 N/A PHE 342.A N PHE 154.A O no hydrogen 2.832 N/A ARG 344.A N PHE 342.A O no hydrogen 2.914 N/A ARG 344.A NE ASN 152.A OD1 no hydrogen 2.844 N/A ARG 344.A NH1 TYR 196.A OH no hydrogen 3.032 N/A ARG 344.A NH2 ASP 142.A OD2 no hydrogen 3.117 N/A ARG 346.A N ASP 343.A OD1 no hydrogen 3.277 N/A LYS 347.A N ARG 344.A O no hydrogen 3.441 N/A ARG 348.A N ASP 343.A O no hydrogen 3.029 N/A ARG 348.A NE ASP 343.A OD2 no hydrogen 2.638 N/A ARG 348.A NH1 GLU 287.A OE1 no hydrogen 2.966 N/A ARG 348.A NH2 ASP 343.A OD2 no hydrogen 3.199 N/A ILE 349.A N THR 188.A O no hydrogen 2.814 N/A GLY 350.A N VAL 341.A O no hydrogen 2.955 N/A PHE 351.A N TRP 186.A O no hydrogen 2.881 N/A ALA 352.A N TYR 339.A O no hydrogen 3.002 N/A SER 354.A N GLY 337.A O no hydrogen 2.779 N/A SER 354.A OG LEU 180.A O no hydrogen 3.545 N/A ALA 355.A N LEU 180.A O no hydrogen 2.864 N/A CYS 356.A N SER 354.A OG no hydrogen 3.296 N/A CYS 356.A SG SER 354.A OG no hydrogen 3.407 N/A CYS 356.A SG CYS 356.A O no hydrogen 2.554 N/A HIS 357.A NE2 HIS 359.A ND1 no hydrogen 2.815 N/A ASP 360.A N ARG 363.A O no hydrogen 3.213 N/A PHE 362.A N ASP 360.A OD1 no hydrogen 3.161 N/A ARG 363.A N ASP 360.A OD1 no hydrogen 3.014 N/A ARG 363.A NH1 PHE 277.A O no hydrogen 3.180 N/A ARG 363.A NH2 PHE 277.A O no hydrogen 2.889 N/A THR 364.A OG1 ALA 365.A O no hydrogen 3.185 N/A GLU 368.A N ARG 294.A O no hydrogen 3.000 N/A PHE 371.A N SER 292.A O no hydrogen 2.965 N/A THR 373.A N ASN 290.A O no hydrogen 2.848 N/A THR 373.A OG1 PHE 371.A O no hydrogen 3.452 N/A CYS 379.A N MET 376.A O no hydrogen 3.278 N/A CYS 379.A SG ASP 375.A O no hydrogen 3.940 N/A GLY 380.A N GLU 377.A O no hydrogen 3.449 N/A