Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qnu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N SER 97.A OG no hydrogen 2.936 N/A VAL 5.A N ILE 95.A O no hydrogen 2.701 N/A VAL 7.A N ILE 93.A O no hydrogen 2.876 N/A LEU 8.A N ILE 93.A O no hydrogen 3.097 N/A VAL 10.A N THR 91.A O no hydrogen 3.014 N/A LYS 11.A N SER 15.A O no hydrogen 3.372 N/A ASP 13.A N ASP 13.A OD1 no hydrogen 2.310 N/A HIS 14.A N LYS 11.A O no hydrogen 2.849 N/A SER 15.A OG ASP 13.A O no hydrogen 3.373 N/A GLU 17.A N ILE 9.A O no hydrogen 2.923 N/A ASP 19.A N VAL 7.A O no hydrogen 3.018 N/A ALA 22.A N ASP 19.A OD2 no hydrogen 3.126 N/A LEU 23.A N ASP 19.A O no hydrogen 2.860 N/A ASN 24.A N THR 21.A O no hydrogen 2.902 N/A ARG 25.A N THR 21.A O no hydrogen 2.693 N/A LEU 28.A N ASN 24.A O no hydrogen 2.928 N/A VAL 32.A N SER 29.A O no hydrogen 3.395 N/A ARG 33.A N SER 29.A O no hydrogen 2.917 N/A LYS 35.A N VAL 32.A O no hydrogen 2.682 N/A VAL 37.A N ILE 281.A O no hydrogen 2.947 N/A VAL 38.A N ALA 111.A O no hydrogen 2.830 N/A VAL 40.A N LEU 113.A O no hydrogen 2.597 N/A SER 41.A N ILE 143.A O no hydrogen 3.095 N/A SER 41.A OG SER 137.A OG no hydrogen 3.166 N/A SER 41.A OG GLN 144.A OE1 no hydrogen 2.379 N/A VAL 42.A N MET 115.A O no hydrogen 2.975 N/A ALA 43.A N VAL 145.A O no hydrogen 2.808 N/A GLY 44.A N THR 117.A O no hydrogen 3.052 N/A LYS 50.A NZ ALA 45.A O no hydrogen 2.662 N/A LYS 50.A NZ GLN 118.A OE1 no hydrogen 2.763 N/A LEU 53.A N GLY 49.A O no hydrogen 3.192 N/A MET 54.A N LYS 50.A O no hydrogen 2.831 N/A ASP 55.A N SER 51.A O no hydrogen 2.774 N/A MET 57.A N LEU 53.A O no hydrogen 2.991 N/A LEU 58.A N MET 54.A O no hydrogen 3.000 N/A ARG 59.A N ASP 55.A O no hydrogen 2.884 N/A ARG 59.A NE THR 78.A O no hydrogen 3.362 N/A ARG 59.A NH2 THR 78.A O no hydrogen 3.111 N/A TYR 60.A N PHE 56.A O no hydrogen 3.144 N/A MET 61.A N MET 57.A O no hydrogen 2.850 N/A TYR 62.A N LEU 58.A O no hydrogen 2.738 N/A TYR 62.A OH GLU 98.A OE1 no hydrogen 3.069 N/A GLY 71.A N ASP 68.A O no hydrogen 2.268 N/A ASN 74.A N ASP 72.A OD1 no hydrogen 3.099 N/A GLU 75.A N ASP 72.A O no hydrogen 3.037 N/A SER 81.A OG ASP 55.A OD2 no hydrogen 2.897 N/A TRP 82.A N ASP 55.A OD1 no hydrogen 3.031 N/A ARG 83.A N SER 81.A OG no hydrogen 3.126 N/A GLY 84.A N GLU 87.A OE2 no hydrogen 3.408 N/A GLY 92.A N GLN 118.A O no hydrogen 2.750 N/A ILE 93.A N LEU 8.A O no hydrogen 3.239 N/A GLN 94.A N ASP 116.A O no hydrogen 2.900 N/A ILE 95.A N VAL 5.A O no hydrogen 2.903 N/A TRP 96.A N LEU 114.A O no hydrogen 3.035 N/A TRP 96.A NE1 TYR 62.A OH no hydrogen 3.002 N/A SER 97.A N GLY 3.A O no hydrogen 2.909 N/A SER 97.A OG GLY 3.A O no hydrogen 3.108 N/A PHE 100.A N VAL 112.A O no hydrogen 3.257 N/A ILE 102.A N VAL 110.A O no hydrogen 2.994 N/A LYS 104.A N LYS 108.A O no hydrogen 2.786 N/A LYS 104.A NZ GLU 269.A O no hydrogen 3.391 N/A VAL 110.A N ILE 102.A O no hydrogen 3.058 N/A ALA 111.A N GLU 36.A O no hydrogen 3.224 N/A VAL 112.A N PHE 100.A O no hydrogen 2.546 N/A LEU 113.A N VAL 38.A O no hydrogen 2.823 N/A MET 115.A N VAL 40.A O no hydrogen 2.610 N/A ASP 116.A N GLN 94.A O no hydrogen 2.720 N/A THR 117.A N VAL 42.A O no hydrogen 2.960 N/A GLN 118.A N GLY 92.A O no hydrogen 2.943 N/A GLN 118.A NE2 THR 90.A O no hydrogen 3.081 N/A GLY 119.A N GLY 44.A O no hydrogen 3.387 N/A THR 120.A N SER 130.A OG no hydrogen 2.637 N/A THR 120.A OG1 GLU 89.A OE2 no hydrogen 2.883 N/A ASP 122.A N THR 126.A OG1 no hydrogen 3.004 N/A THR 126.A OG1 SER 123.A O no hydrogen 3.366 N/A LEU 127.A N SER 123.A O no hydrogen 2.973 N/A SER 130.A N THR 126.A O no hydrogen 3.037 N/A SER 130.A OG THR 126.A O no hydrogen 3.393 N/A ALA 131.A N LEU 127.A O no hydrogen 2.879 N/A THR 132.A N ARG 128.A O no hydrogen 3.000 N/A THR 132.A OG1 ARG 128.A O no hydrogen 2.697 N/A VAL 133.A N ASP 129.A O no hydrogen 2.931 N/A PHE 134.A N SER 130.A O no hydrogen 2.744 N/A ALA 135.A N ALA 131.A O no hydrogen 2.689 N/A LEU 136.A N THR 132.A O no hydrogen 2.916 N/A SER 137.A N VAL 133.A O no hydrogen 2.812 N/A THR 138.A N PHE 134.A O no hydrogen 2.913 N/A THR 138.A OG1 PHE 134.A O no hydrogen 2.769 N/A MET 139.A N ALA 135.A O no hydrogen 3.098 N/A ILE 140.A N LEU 136.A O no hydrogen 3.017 N/A SER 141.A N THR 138.A O no hydrogen 3.287 N/A SER 141.A OG THR 138.A O no hydrogen 3.386 N/A SER 142.A N ALA 39.A O no hydrogen 2.731 N/A SER 142.A OG ASP 272.A O no hydrogen 2.638 N/A ILE 143.A N ALA 39.A O no hydrogen 3.243 N/A GLN 144.A N SER 181.A O no hydrogen 2.996 N/A GLN 144.A NE2 SER 137.A OG no hydrogen 2.864 N/A GLN 144.A NE2 THR 138.A OG1 no hydrogen 3.030 N/A VAL 145.A N SER 41.A O no hydrogen 2.893 N/A TYR 146.A N ILE 183.A O no hydrogen 2.765 N/A TYR 146.A OH ASP 156.A O no hydrogen 2.620 N/A ASN 147.A N ALA 43.A O no hydrogen 2.727 N/A ASN 147.A ND2 LYS 48.A O no hydrogen 3.125 N/A LEU 148.A N LEU 185.A O no hydrogen 2.784 N/A VAL 152.A N ASN 151.A OD1 no hydrogen 2.587 N/A GLN 153.A N ASP 156.A OD2 no hydrogen 2.877 N/A ASP 156.A N GLN 153.A O no hydrogen 2.518 N/A LEU 157.A N GLN 153.A O no hydrogen 3.280 N/A GLN 158.A N GLU 154.A O no hydrogen 2.828 N/A HIS 159.A N ASP 155.A O no hydrogen 2.680 N/A LEU 160.A N ASP 156.A O no hydrogen 3.006 N/A GLN 161.A N LEU 157.A O no hydrogen 2.957 N/A GLN 161.A NE2 HIS 217.A ND1 no hydrogen 3.147 N/A LEU 162.A N GLN 158.A O no hydrogen 3.069 N/A PHE 163.A N HIS 159.A O no hydrogen 3.111 N/A THR 164.A N LEU 160.A O no hydrogen 3.025 N/A GLU 165.A N GLN 161.A O no hydrogen 2.714 N/A TYR 166.A N LEU 162.A O no hydrogen 3.013 N/A GLY 167.A N PHE 163.A O no hydrogen 3.278 N/A GLY 167.A N THR 164.A O no hydrogen 3.189 N/A ARG 168.A N THR 164.A O no hydrogen 3.417 N/A LEU 169.A N GLU 165.A O no hydrogen 3.187 N/A ALA 170.A N GLY 167.A O no hydrogen 2.938 N/A MET 171.A N ARG 168.A O no hydrogen 2.705 N/A LEU 176.A N THR 174.A OG1 no hydrogen 3.035 N/A LYS 177.A NZ HIS 219.A O no hydrogen 3.069 N/A LYS 177.A NZ PHE 222.A O no hydrogen 3.531 N/A PHE 179.A N CYS 221.A O no hydrogen 2.913 N/A GLN 180.A NE2 ILE 273.A O no hydrogen 3.495 N/A LEU 182.A N ASN 224.A O no hydrogen 2.844 N/A ILE 183.A N GLN 144.A O no hydrogen 2.800 N/A PHE 184.A N SER 226.A O no hydrogen 2.828 N/A LEU 185.A N TYR 146.A O no hydrogen 2.905 N/A VAL 186.A N PHE 228.A O no hydrogen 3.026 N/A ARG 187.A N LEU 148.A O no hydrogen 2.668 N/A ARG 187.A NH1 GLY 49.A O no hydrogen 2.961 N/A ARG 187.A NH1 ASN 147.A OD1 no hydrogen 2.739 N/A ARG 187.A NH2 GLY 49.A O no hydrogen 3.091 N/A TRP 189.A N LEU 230.A O no hydrogen 2.853 N/A TRP 189.A NE1 PHE 195.A O no hydrogen 2.809 N/A SER 190.A OG ASP 188.A O no hydrogen 3.567 N/A GLU 194.A N PHE 191.A O no hydrogen 2.987 N/A PHE 195.A N PHE 191.A O no hydrogen 2.961 N/A GLY 198.A N LEU 229.A O no hydrogen 2.853 N/A GLY 202.A N GLY 198.A O no hydrogen 2.979 N/A ALA 203.A N ALA 199.A O no hydrogen 2.885 N/A LYS 204.A N ASP 200.A O no hydrogen 3.298 N/A PHE 205.A N GLY 201.A O no hydrogen 2.950 N/A LEU 206.A N GLY 202.A O no hydrogen 2.744 N/A GLU 207.A N ALA 203.A O no hydrogen 2.941 N/A LYS 208.A N LYS 204.A O no hydrogen 2.981 N/A ARG 209.A N PHE 205.A O no hydrogen 2.767 N/A ARG 209.A NE VAL 152.A O no hydrogen 2.635 N/A ARG 209.A NH1 ARG 209.A O no hydrogen 3.337 N/A ARG 209.A NH2 VAL 152.A O no hydrogen 2.971 N/A ARG 209.A NH2 GLU 154.A OE1 no hydrogen 2.257 N/A LEU 210.A N LEU 206.A O no hydrogen 2.616 N/A LYS 211.A N GLU 207.A O no hydrogen 3.114 N/A HIS 219.A N LYS 216.A O no hydrogen 3.421 N/A SER 220.A N HIS 217.A O no hydrogen 2.939 N/A CYS 221.A N ILE 218.A O no hydrogen 3.136 N/A CYS 221.A SG THR 164.A OG1 no hydrogen 3.684 N/A CYS 221.A SG HIS 217.A NE2 no hydrogen 3.898 N/A CYS 221.A SG HIS 217.A O no hydrogen 3.854 N/A THR 223.A N PHE 179.A O no hydrogen 3.324 N/A THR 223.A OG1 PHE 179.A O no hydrogen 3.084 N/A THR 223.A OG1 GLN 180.A O no hydrogen 2.728 N/A ASN 224.A N GLN 180.A O no hydrogen 3.083 N/A SER 226.A N LEU 182.A O no hydrogen 3.003 N/A CYS 227.A SG PHE 184.A O no hydrogen 3.343 N/A PHE 228.A N PHE 184.A O no hydrogen 2.995 N/A LEU 229.A N GLY 198.A O no hydrogen 3.012 N/A LEU 230.A N VAL 186.A O no hydrogen 2.879 N/A GLY 234.A N HIS 232.A ND1 no hydrogen 2.750 N/A ALA 238.A N GLY 234.A O no hydrogen 2.947 N/A THR 239.A N LEU 235.A O no hydrogen 2.909 N/A THR 239.A OG1 LEU 235.A O no hydrogen 2.890 N/A GLY 245.A N PHE 243.A O no hydrogen 2.716 N/A LYS 246.A N GLU 249.A OE1 no hydrogen 2.859 N/A LYS 246.A NZ ASN 74.A O no hydrogen 2.748 N/A LEU 247.A N GLU 75.A O no hydrogen 3.327 N/A LYS 248.A N TYR 73.A O no hydrogen 3.024 N/A GLU 249.A N LYS 246.A O no hydrogen 2.843 N/A ILE 250.A N LEU 247.A O no hydrogen 2.767 N/A ASP 251.A N PRO 233.A O no hydrogen 2.859 N/A PHE 254.A N ASP 251.A OD2 no hydrogen 3.093 N/A ILE 255.A N ASP 251.A O no hydrogen 3.298 N/A LYS 256.A N ASP 252.A O no hydrogen 2.972 N/A ASN 257.A N GLU 253.A O no hydrogen 2.902 N/A ASN 257.A N PHE 254.A O no hydrogen 3.087 N/A LEU 258.A N PHE 254.A O no hydrogen 2.894 N/A LYS 259.A N ILE 255.A O no hydrogen 2.870 N/A LEU 261.A N ASN 257.A O no hydrogen 2.766 N/A ILE 262.A N LEU 258.A O no hydrogen 2.884 N/A TRP 264.A N ILE 260.A O no hydrogen 2.938 N/A LEU 265.A N LEU 261.A O no hydrogen 3.026 N/A LEU 265.A N ILE 262.A O no hydrogen 2.998 N/A LEU 266.A N ILE 262.A O no hydrogen 2.718 N/A SER 267.A N PRO 263.A O no hydrogen 2.800 N/A SER 267.A OG PRO 263.A O no hydrogen 3.294 N/A SER 267.A OG SER 270.A OG no hydrogen 2.361 N/A SER 270.A OG PRO 263.A O no hydrogen 3.154 N/A SER 270.A OG TRP 264.A O no hydrogen 3.437 N/A SER 270.A OG SER 267.A O no hydrogen 2.803 N/A LEU 271.A N SER 267.A O no hydrogen 2.841 N/A LYS 274.A N VAL 37.A O no hydrogen 2.662 N/A LYS 274.A NZ SER 141.A O no hydrogen 3.548 N/A LYS 274.A NZ GLU 275.A O no hydrogen 2.662 N/A ILE 276.A N ASN 279.A O no hydrogen 2.999 N/A ASN 279.A N ILE 276.A O no hydrogen 2.925 N/A ILE 281.A N LYS 274.A O no hydrogen 3.060 N/A THR 282.A OG1 ARG 33.A O no hydrogen 3.050 N/A THR 282.A OG1 LYS 35.A O no hydrogen 3.086 N/A CYS 283.A N LYS 35.A O no hydrogen 3.314 N/A CYS 283.A SG VAL 32.A O no hydrogen 3.686 N/A CYS 283.A SG LYS 35.A O no hydrogen 3.780 N/A LEU 286.A N THR 282.A O no hydrogen 2.841 N/A VAL 287.A N CYS 283.A O no hydrogen 3.018 N/A GLU 288.A N ARG 284.A O no hydrogen 3.043 N/A TYR 289.A N GLY 285.A O no hydrogen 2.785 N/A PHE 290.A N LEU 286.A O no hydrogen 2.662 N/A LYS 291.A N VAL 287.A O no hydrogen 2.928 N/A LYS 291.A NZ GLU 20.A OE1 no hydrogen 2.558 N/A ALA 292.A N GLU 288.A O no hydrogen 2.727 N/A TYR 293.A N TYR 289.A O no hydrogen 2.913 N/A ILE 294.A N PHE 290.A O no hydrogen 3.097 N/A LYS 295.A N LYS 291.A O no hydrogen 3.039 N/A ILE 296.A N ALA 292.A O no hydrogen 3.099 N/A TYR 297.A N TYR 293.A O no hydrogen 3.169 N/A TYR 297.A OH TYR 166.A O no hydrogen 2.415 N/A GLN 298.A N ILE 294.A O no hydrogen 3.253 N/A GLN 298.A N LYS 295.A O no hydrogen 3.144 N/A GLN 298.A NE2 ILE 294.A O no hydrogen 2.898 N/A GLN 298.A NE2 LYS 295.A O no hydrogen 3.684 N/A GLY 299.A N LYS 295.A O no hydrogen 3.322 N/A GLY 299.A N ILE 296.A O no hydrogen 2.570 N/A LYS 306.A NZ GLU 314.A OE1 no hydrogen 3.288 N/A GLN 310.A N SER 307.A OG no hydrogen 3.310 N/A GLN 310.A NE2 GLU 314.A OE2 no hydrogen 2.475 N/A ALA 311.A N SER 307.A O no hydrogen 2.857 N/A THR 312.A N MET 308.A O no hydrogen 2.844 N/A THR 312.A OG1 MET 308.A O no hydrogen 2.936 N/A ALA 313.A N LEU 309.A O no hydrogen 3.006 N/A GLU 314.A N GLN 310.A O no hydrogen 3.097 N/A ALA 315.A N ALA 311.A O no hydrogen 3.097 N/A ASN 316.A N THR 312.A O no hydrogen 3.124 N/A ASN 317.A N ALA 313.A O no hydrogen 2.938 N/A ASN 317.A ND2 ALA 313.A O no hydrogen 3.228 N/A ASN 317.A ND2 MET 369.A O no hydrogen 3.077 N/A LEU 318.A N GLU 314.A O no hydrogen 3.287 N/A ALA 319.A N ALA 315.A O no hydrogen 3.197 N/A ALA 320.A N ASN 316.A O no hydrogen 3.354 N/A VAL 321.A N ASN 317.A O no hydrogen 2.645 N/A ALA 322.A N LEU 318.A O no hydrogen 2.823 N/A THR 323.A N ALA 319.A O no hydrogen 2.871 N/A THR 323.A OG1 ALA 319.A O no hydrogen 3.284 N/A ALA 324.A N ALA 320.A O no hydrogen 2.925 N/A LYS 325.A N VAL 321.A O no hydrogen 3.225 N/A ASP 326.A N ALA 322.A O no hydrogen 2.796 N/A THR 327.A N THR 323.A O no hydrogen 3.249 N/A TYR 328.A N ALA 324.A O no hydrogen 3.193 N/A TYR 328.A OH HIS 352.A ND1 no hydrogen 2.715 N/A ASN 329.A N LYS 325.A O no hydrogen 3.128 N/A LYS 330.A N ASP 326.A O no hydrogen 3.042 N/A MET 332.A N TYR 328.A O no hydrogen 2.965 N/A GLU 333.A N ASN 329.A O no hydrogen 3.076 N/A GLU 334.A N LYS 330.A O no hydrogen 3.038 N/A ILE 335.A N MET 332.A O no hydrogen 2.960 N/A CYS 336.A SG CYS 336.A O no hydrogen 2.853 N/A CYS 336.A SG GLN 392.A O no hydrogen 3.185 N/A LYS 351.A N ASP 347.A O no hydrogen 2.908 N/A HIS 352.A N LEU 348.A O no hydrogen 3.245 N/A HIS 352.A ND1 TYR 328.A OH no hydrogen 2.715 N/A LEU 353.A N GLN 349.A O no hydrogen 2.849 N/A GLN 354.A N THR 350.A O no hydrogen 2.914 N/A LEU 355.A N LYS 351.A O no hydrogen 2.653 N/A LYS 356.A N HIS 352.A O no hydrogen 2.655 N/A LYS 356.A NZ ASP 387.A OD1 no hydrogen 3.083 N/A GLU 357.A N LEU 353.A O no hydrogen 2.971 N/A GLU 358.A N GLN 354.A O no hydrogen 3.378 N/A SER 359.A N LEU 355.A O no hydrogen 2.825 N/A SER 359.A OG ALA 324.A O no hydrogen 2.795 N/A VAL 360.A N LYS 356.A O no hydrogen 2.897 N/A LYS 361.A N GLU 357.A O no hydrogen 2.871 N/A LEU 362.A N GLU 358.A O no hydrogen 2.939 N/A PHE 363.A N SER 359.A O no hydrogen 2.670 N/A ARG 364.A N VAL 360.A O no hydrogen 2.785 N/A GLY 365.A N LYS 361.A O no hydrogen 3.117 N/A VAL 366.A N PHE 363.A O no hydrogen 2.772 N/A LYS 368.A NZ PHE 363.A O no hydrogen 3.439 N/A LYS 368.A NZ VAL 366.A O no hydrogen 3.067 N/A SER 375.A N GLY 371.A O no hydrogen 2.946 N/A SER 375.A OG ASN 317.A OD1 no hydrogen 3.058 N/A ARG 376.A N GLU 372.A O no hydrogen 2.822 N/A ARG 377.A NH1 ARG 377.A O no hydrogen 3.372 N/A ARG 377.A NH1 GLN 381.A OE1 no hydrogen 3.040 N/A LEU 379.A N SER 375.A O no hydrogen 2.799 N/A GLN 380.A N ARG 376.A O no hydrogen 2.862 N/A GLN 381.A N ARG 377.A O no hydrogen 3.247 N/A GLN 381.A NE2 GLU 385.A OE2 no hydrogen 3.354 N/A LEU 382.A N TYR 378.A O no hydrogen 2.786 N/A GLU 383.A N LEU 379.A O no hydrogen 2.994 N/A GLU 383.A N GLN 380.A O no hydrogen 2.838 N/A SER 384.A N GLN 380.A O no hydrogen 2.921 N/A GLU 385.A N GLN 381.A O no hydrogen 3.114 N/A ILE 386.A N LEU 382.A O no hydrogen 3.304 N/A ASP 387.A N GLU 383.A O no hydrogen 3.075 N/A GLU 388.A N SER 384.A O no hydrogen 3.290 N/A LEU 389.A N GLU 385.A O no hydrogen 2.922 N/A TYR 390.A N ASP 387.A O no hydrogen 2.879 N/A GLN 392.A N LEU 389.A O no hydrogen 3.198 N/A