Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qjs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N ILE 1.A O no hydrogen 2.993 N/A SER 5.A N GLU 2.A O no hydrogen 3.090 N/A SER 5.A OG ASP 6.A O no hydrogen 3.333 N/A SER 9.A OG PHE 10.A O no hydrogen 3.545 N/A ASP 11.A N PHE 24.A O no hydrogen 2.766 N/A THR 14.A N LEU 22.A O no hydrogen 3.016 N/A THR 14.A OG1 LEU 15.A O no hydrogen 3.546 N/A ASP 16.A N THR 20.A O no hydrogen 2.823 N/A ASN 18.A N ASP 16.A OD1 no hydrogen 2.886 N/A GLY 19.A N ASP 16.A O no hydrogen 2.999 N/A THR 20.A N ASP 16.A OD1 no hydrogen 2.815 N/A THR 20.A OG1 ASP 16.A OD1 no hydrogen 2.860 N/A THR 20.A OG1 ASP 16.A OD2 no hydrogen 2.847 N/A LEU 22.A N THR 14.A O no hydrogen 2.794 N/A PHE 23.A N TRP 30.A O no hydrogen 2.810 N/A PHE 24.A N ALA 12.A O no hydrogen 2.766 N/A LYS 25.A N PHE 28.A O no hydrogen 3.231 N/A LYS 25.A NZ SER 9.A O no hydrogen 2.788 N/A ASP 26.A N ASP 11.A OD2 no hydrogen 3.012 N/A PHE 28.A N LYS 25.A O no hydrogen 2.874 N/A VAL 29.A N GLU 38.A O no hydrogen 2.702 N/A TRP 30.A N PHE 23.A O no hydrogen 2.831 N/A LYS 31.A N ILE 36.A O no hydrogen 2.982 N/A LYS 31.A NZ GLU 38.A OE2 no hydrogen 3.115 N/A SER 32.A N MET 21.A O no hydrogen 2.717 N/A SER 32.A OG LYS 31.A O no hydrogen 3.142 N/A ARG 34.A N SER 32.A OG no hydrogen 2.857 N/A GLY 35.A N LYS 31.A O no hydrogen 2.885 N/A GLY 35.A N SER 32.A O no hydrogen 3.161 N/A ILE 36.A N LYS 31.A O no hydrogen 3.199 N/A GLU 38.A N VAL 29.A O no hydrogen 2.897 N/A ILE 40.A N GLU 27.A O no hydrogen 2.790 N/A GLU 42.A N LEU 39.A O no hydrogen 2.719 N/A ARG 43.A N ILE 40.A O no hydrogen 3.091 N/A TRP 44.A N ILE 40.A O no hydrogen 2.979 N/A LYS 45.A NZ SER 41.A O no hydrogen 2.629 N/A ASP 52.A N ILE 65.A O no hydrogen 2.733 N/A ALA 53.A N ILE 65.A O no hydrogen 3.160 N/A PHE 55.A N TYR 63.A O no hydrogen 3.436 N/A ARG 56.A N GLU 102.A OE1 no hydrogen 3.218 N/A ARG 56.A NH1 ASP 16.A O no hydrogen 3.002 N/A ARG 56.A NH1 ASP 236.A OD1 no hydrogen 2.651 N/A ARG 56.A NH2 ASP 236.A OD1 no hydrogen 2.840 N/A ARG 56.A NH2 ASP 236.A OD2 no hydrogen 3.045 N/A HIS 57.A NE2 GLU 111.A OE2 no hydrogen 2.711 N/A THR 60.A OG1 GLY 58.A O no hydrogen 3.071 N/A TYR 63.A N PHE 55.A O no hydrogen 3.115 N/A LEU 64.A N TRP 71.A O no hydrogen 3.008 N/A ILE 65.A N ALA 53.A O no hydrogen 2.836 N/A LYS 66.A N LYS 69.A O no hydrogen 3.140 N/A LYS 66.A NZ ILE 48.A O no hydrogen 2.825 N/A GLY 67.A N ASP 52.A OD2 no hydrogen 3.038 N/A LYS 69.A N LYS 66.A O no hydrogen 3.014 N/A LYS 69.A NZ ASP 68.A OD1 no hydrogen 2.955 N/A VAL 70.A N LYS 84.A O no hydrogen 2.681 N/A TRP 71.A N LEU 64.A O no hydrogen 3.006 N/A TYR 73.A N VAL 62.A O no hydrogen 2.801 N/A TYR 73.A OH LYS 45.A O no hydrogen 2.652 N/A LYS 77.A NZ GLU 76.A OE1 no hydrogen 2.733 N/A GLU 79.A N LYS 77.A O no hydrogen 2.176 N/A LYS 84.A N VAL 70.A O no hydrogen 2.849 N/A LEU 86.A N ASP 68.A O no hydrogen 2.889 N/A GLN 87.A N GLN 87.A OE1 no hydrogen 3.021 N/A ASP 88.A N SER 85.A O no hydrogen 2.900 N/A ASP 88.A N SER 85.A OG no hydrogen 2.923 N/A GLU 89.A N SER 85.A O no hydrogen 2.921 N/A PHE 90.A N LEU 86.A O no hydrogen 2.696 N/A ILE 93.A N PHE 90.A O no hydrogen 3.288 N/A ASP 98.A N PHE 116.A O no hydrogen 2.878 N/A ALA 99.A N PHE 116.A O no hydrogen 3.196 N/A VAL 101.A N LEU 114.A O no hydrogen 2.916 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.849 N/A CYS 103.A N GLY 112.A O no hydrogen 2.921 N/A CYS 103.A SG TYR 152.A OH no hydrogen 3.186 N/A HIS 104.A N TYR 152.A OH no hydrogen 3.352 N/A GLY 106.A N CYS 108.A O no hydrogen 2.934 N/A CYS 108.A N HIS 104.A O no hydrogen 3.010 N/A GLY 112.A N CYS 103.A O no hydrogen 2.819 N/A ILE 113.A N TRP 124.A O no hydrogen 3.093 N/A LEU 114.A N VAL 101.A O no hydrogen 2.827 N/A PHE 115.A N TRP 122.A O no hydrogen 2.997 N/A PHE 116.A N ALA 99.A O no hydrogen 2.902 N/A GLN 117.A N ARG 120.A O no hydrogen 3.016 N/A GLY 118.A N ASP 98.A OD2 no hydrogen 2.859 N/A LYS 121.A NZ ASN 119.A O no hydrogen 2.874 N/A LYS 121.A NZ TRP 136.A O no hydrogen 2.853 N/A LYS 121.A NZ VAL 139.A O no hydrogen 3.423 N/A LYS 121.A NZ GLY 140.A O no hydrogen 3.566 N/A TRP 122.A N PHE 115.A O no hydrogen 3.085 N/A PHE 123.A N LYS 132.A O no hydrogen 2.891 N/A TRP 124.A N ILE 113.A O no hydrogen 2.817 N/A ASP 125.A N THR 130.A O no hydrogen 2.869 N/A LEU 126.A N GLU 111.A O no hydrogen 3.274 N/A THR 127.A N ASP 125.A OD1 no hydrogen 2.921 N/A THR 127.A OG1 ASP 125.A OD1 no hydrogen 3.054 N/A THR 128.A OG1 ASP 125.A OD2 no hydrogen 3.154 N/A GLY 129.A N ASP 125.A O no hydrogen 2.788 N/A THR 130.A OG1 THR 128.A O no hydrogen 3.254 N/A LYS 131.A NZ GLY 92.A O no hydrogen 2.928 N/A LYS 132.A N PHE 123.A O no hydrogen 2.921 N/A ARG 134.A N LYS 121.A O no hydrogen 3.102 N/A THR 143.A N PHE 155.A O no hydrogen 2.690 N/A THR 143.A OG1 PHE 155.A O no hydrogen 2.994 N/A LEU 146.A N TYR 153.A O no hydrogen 3.029 N/A ARG 147.A NE GLU 107.A OE1 no hydrogen 2.795 N/A ARG 147.A NE TYR 152.A OH no hydrogen 3.517 N/A ARG 147.A NH2 GLU 107.A OE1 no hydrogen 3.124 N/A ARG 147.A NH2 GLU 107.A OE2 no hydrogen 2.751 N/A TRP 148.A N ARG 151.A O no hydrogen 2.684 N/A TRP 148.A NE1 ASP 236.A O no hydrogen 3.160 N/A ARG 151.A N TRP 148.A O no hydrogen 2.878 N/A ARG 151.A NE TYR 153.A OH no hydrogen 2.893 N/A TYR 152.A OH GLU 107.A OE1 no hydrogen 2.618 N/A TYR 153.A N LEU 146.A O no hydrogen 2.683 N/A CYS 154.A N LEU 161.A O no hydrogen 3.208 N/A PHE 155.A N SER 144.A O no hydrogen 2.816 N/A GLN 156.A N GLN 159.A O no hydrogen 2.732 N/A GLY 157.A N THR 143.A OG1 no hydrogen 2.859 N/A GLN 159.A N GLN 156.A O no hydrogen 3.221 N/A PHE 160.A N LEU 176.A O no hydrogen 2.948 N/A LEU 161.A N CYS 154.A O no hydrogen 3.124 N/A ARG 162.A NE TYR 174.A OH no hydrogen 2.894 N/A ARG 162.A NH2 TYR 174.A OH no hydrogen 3.350 N/A PHE 163.A N TYR 152.A O no hydrogen 3.189 N/A ASN 164.A N GLU 169.A O no hydrogen 3.013 N/A VAL 166.A N ASN 164.A OD1 no hydrogen 2.856 N/A SER 167.A N ASN 164.A OD1 no hydrogen 2.889 N/A SER 167.A OG GLU 169.A OE2 no hydrogen 3.189 N/A GLY 168.A N ASN 164.A O no hydrogen 2.839 N/A LEU 176.A N PHE 160.A O no hydrogen 2.969 N/A VAL 178.A N ASN 158.A O no hydrogen 3.034 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 3.021 N/A ARG 179.A NE ASP 177.A OD1 no hydrogen 2.865 N/A ARG 179.A NH1 CYS 4.A O no hydrogen 2.984 N/A ARG 179.A NH2 ASP 177.A OD2 no hydrogen 2.934 N/A TYR 181.A N VAL 178.A O no hydrogen 3.273 N/A LEU 183.A N VAL 178.A O no hydrogen 3.152 N/A SER 184.A N HIS 33.A O no hydrogen 2.987 N/A SER 184.A OG HIS 33.A O no hydrogen 2.915 N/A ARG 188.A N CYS 185.A O no hydrogen 3.000 N/A ARG 188.A NE ASP 180.A OD2 no hydrogen 3.071 N/A ARG 188.A NH2 ASP 180.A OD2 no hydrogen 3.334 N/A GLY 189.A N ASP 180.A OD1 no hydrogen 3.003 N/A HIS 196.A NE2 ASP 206.A O no hydrogen 2.912 N/A HIS 198.A ND1 SER 200.A OG no hydrogen 2.680 N/A SER 200.A OG HIS 194.A ND1 no hydrogen 3.261 N/A SER 200.A OG HIS 198.A ND1 no hydrogen 2.680 N/A THR 201.A N HIS 198.A O no hydrogen 2.993 N/A THR 201.A OG1 HIS 198.A O no hydrogen 2.558 N/A ARG 202.A N GLU 199.A O no hydrogen 3.258 N/A ARG 202.A NE GLU 199.A OE2 no hydrogen 3.067 N/A ARG 202.A NH1 LEU 404.A O no hydrogen 2.681 N/A ARG 202.A NH1 GLY 405.A O no hydrogen 2.754 N/A CYS 203.A SG GLY 405.A O no hydrogen 3.985 N/A ASP 204.A N THR 201.A O no hydrogen 3.073 N/A ASP 206.A N ASP 204.A OD1 no hydrogen 2.899 N/A SER 210.A N PHE 223.A O no hydrogen 2.961 N/A SER 210.A OG VAL 254.A O no hydrogen 2.693 N/A VAL 213.A N TYR 221.A O no hydrogen 3.370 N/A SER 214.A OG THR 220.A OG1 no hydrogen 2.919 N/A ASP 215.A N ALA 219.A O no hydrogen 2.796 N/A ASN 216.A ND2 THR 277.A OG1 no hydrogen 2.814 N/A HIS 217.A N ASP 215.A OD1 no hydrogen 2.942 N/A HIS 217.A NE2 THR 277.A O no hydrogen 2.740 N/A GLY 218.A N ASP 215.A O no hydrogen 2.832 N/A ALA 219.A N ASP 215.A OD1 no hydrogen 2.756 N/A THR 220.A N ASP 232.A OD1 no hydrogen 3.029 N/A THR 220.A OG1 SER 214.A OG no hydrogen 2.919 N/A THR 220.A OG1 GLY 218.A O no hydrogen 3.567 N/A TYR 221.A N VAL 213.A O no hydrogen 3.100 N/A TYR 221.A OH TYR 281.A OH no hydrogen 2.781 N/A VAL 222.A N TRP 229.A O no hydrogen 3.147 N/A PHE 223.A N ALA 211.A O no hydrogen 2.846 N/A SER 224.A N HIS 227.A O no hydrogen 3.153 N/A SER 224.A OG VAL 208.A O no hydrogen 2.999 N/A SER 226.A OG SER 252.A O no hydrogen 3.024 N/A HIS 227.A N SER 224.A O no hydrogen 3.017 N/A TYR 228.A N TRP 241.A O no hydrogen 2.809 N/A TRP 229.A N VAL 222.A O no hydrogen 2.870 N/A TRP 229.A NE1 GLU 199.A OE2 no hydrogen 3.033 N/A ARG 230.A NE ASP 232.A OD1 no hydrogen 2.807 N/A ARG 230.A NE ASP 232.A OD2 no hydrogen 3.438 N/A ARG 230.A NH1 GLU 107.A OE2 no hydrogen 3.478 N/A ARG 230.A NH2 GLU 107.A OE2 no hydrogen 3.487 N/A ARG 230.A NH2 ASP 232.A OD2 no hydrogen 3.061 N/A LEU 231.A N THR 220.A O no hydrogen 2.688 N/A ASN 234.A N LEU 231.A O no hydrogen 2.750 N/A ARG 235.A NE ASP 17.A O no hydrogen 2.860 N/A ARG 235.A NH2 ASP 17.A O no hydrogen 3.279 N/A ASP 236.A N THR 233.A O no hydrogen 2.906 N/A HIS 239.A ND1 SER 240.A O no hydrogen 2.780 N/A SER 240.A OG GLY 197.A O no hydrogen 3.361 N/A TRP 241.A N TYR 228.A O no hydrogen 3.271 N/A ILE 243.A N SER 226.A O no hydrogen 3.055 N/A HIS 245.A N PRO 242.A O no hydrogen 3.138 N/A GLN 246.A N ILE 243.A O no hydrogen 3.264 N/A TRP 247.A N ILE 243.A O no hydrogen 2.809 N/A GLY 250.A N TRP 247.A O no hydrogen 3.232 N/A SER 252.A OG GLN 268.A OE1 no hydrogen 3.138 N/A THR 253.A N GLN 268.A OE1 no hydrogen 3.186 N/A THR 253.A OG1 GLN 268.A OE1 no hydrogen 2.728 N/A ASP 255.A N ILE 267.A O no hydrogen 2.934 N/A ALA 256.A N ILE 267.A O no hydrogen 3.334 N/A PHE 258.A N TYR 265.A O no hydrogen 3.253 N/A SER 259.A OG SER 214.A O no hydrogen 3.036 N/A TRP 260.A N LYS 263.A O no hydrogen 3.149 N/A LYS 263.A N TRP 260.A O no hydrogen 3.209 N/A LEU 264.A N PHE 275.A O no hydrogen 3.061 N/A TYR 265.A N PHE 258.A O no hydrogen 2.965 N/A LEU 266.A N TYR 273.A O no hydrogen 2.935 N/A ILE 267.A N ALA 256.A O no hydrogen 2.965 N/A GLN 268.A N LYS 271.A O no hydrogen 3.018 N/A ASP 269.A N ASP 255.A OD2 no hydrogen 2.894 N/A THR 270.A N ASP 269.A OD1 no hydrogen 3.061 N/A THR 270.A OG1 GLU 304.A O no hydrogen 3.120 N/A LYS 271.A N GLN 268.A O no hydrogen 2.741 N/A LYS 271.A NZ ASP 269.A OD1 no hydrogen 3.406 N/A VAL 272.A N LYS 289.A O no hydrogen 2.803 N/A TYR 273.A N LEU 266.A O no hydrogen 2.693 N/A PHE 275.A N LEU 264.A O no hydrogen 2.986 N/A LEU 276.A N THR 282.A O no hydrogen 2.888 N/A THR 277.A OG1 ASN 216.A OD1 no hydrogen 3.102 N/A THR 277.A OG1 ASP 262.A O no hydrogen 3.080 N/A LYS 278.A NZ ASP 262.A OD2 no hydrogen 2.972 N/A GLY 280.A N GLY 106.A O no hydrogen 3.120 N/A TYR 281.A OH ASP 215.A OD2 no hydrogen 2.774 N/A TYR 281.A OH TYR 221.A OH no hydrogen 2.781 N/A THR 282.A N LEU 276.A O no hydrogen 3.206 N/A VAL 284.A N VAL 274.A O no hydrogen 2.790 N/A TYR 287.A OH GLU 294.A OE1 no hydrogen 3.425 N/A TYR 287.A OH GLU 294.A OE2 no hydrogen 2.998 N/A LYS 289.A N VAL 272.A O no hydrogen 3.054 N/A LEU 291.A N THR 270.A O no hydrogen 2.710 N/A GLU 294.A N LEU 291.A O no hydrogen 2.750 N/A LEU 295.A N LEU 291.A O no hydrogen 2.689 N/A GLY 296.A N GLU 292.A O no hydrogen 3.108 N/A SER 297.A OG ILE 301.A O no hydrogen 3.560 N/A VAL 300.A N PRO 298.A O no hydrogen 2.798 N/A ASP 307.A N MET 321.A O no hydrogen 2.887 N/A ALA 308.A N MET 321.A O no hydrogen 3.482 N/A PHE 310.A N HIS 319.A O no hydrogen 2.962 N/A SER 315.A N CYS 312.A O no hydrogen 2.979 N/A ARG 317.A N SER 315.A OG no hydrogen 3.200 N/A LEU 318.A N LEU 329.A O no hydrogen 2.670 N/A HIS 319.A N PHE 310.A O no hydrogen 2.979 N/A ILE 320.A N TRP 327.A O no hydrogen 3.100 N/A MET 321.A N ALA 308.A O no hydrogen 3.093 N/A ALA 322.A N ARG 325.A O no hydrogen 3.050 N/A GLY 323.A N ASP 307.A OD2 no hydrogen 3.001 N/A ARG 325.A N ALA 322.A O no hydrogen 3.047 N/A ARG 325.A NH1 GLU 341.A OE2 no hydrogen 3.368 N/A TRP 327.A N ILE 320.A O no hydrogen 3.098 N/A TRP 328.A N THR 340.A O no hydrogen 3.076 N/A LEU 329.A N LEU 318.A O no hydrogen 2.989 N/A LEU 331.A N SER 316.A O no hydrogen 2.980 N/A LYS 332.A N ASP 330.A OD1 no hydrogen 2.931 N/A GLY 334.A N LEU 331.A O no hydrogen 3.332 N/A GLN 336.A N SER 333.A O no hydrogen 2.993 N/A ALA 337.A N GLY 334.A O no hydrogen 3.217 N/A TRP 339.A NE1 LEU 295.A O no hydrogen 2.739 N/A THR 340.A N TRP 328.A O no hydrogen 3.019 N/A LEU 342.A N LEU 326.A O no hydrogen 3.071 N/A TRP 344.A NE1 ARG 324.A O no hydrogen 2.984 N/A HIS 346.A NE2 TYR 382.A OH no hydrogen 2.682 N/A LYS 348.A NZ ASP 307.A OD1 no hydrogen 3.238 N/A LYS 348.A NZ ASP 307.A OD2 no hydrogen 2.824 N/A ASP 350.A N ILE 374.A O no hydrogen 2.602 N/A LEU 353.A N TYR 372.A O no hydrogen 2.844 N/A CYS 354.A SG ASN 370.A O no hydrogen 3.499 N/A MET 355.A N ASN 370.A O no hydrogen 3.238 N/A LYS 357.A NZ GLY 218.A O no hydrogen 3.305 N/A LEU 359.A N TYR 372.A OH no hydrogen 2.911 N/A SER 365.A OG GLY 368.A O no hydrogen 2.625 N/A ASN 370.A N MET 355.A O no hydrogen 2.854 N/A LEU 371.A N TYR 382.A O no hydrogen 3.068 N/A TYR 372.A N LEU 353.A O no hydrogen 2.822 N/A TYR 372.A OH ASN 362.A O no hydrogen 3.171 N/A LEU 373.A N TYR 380.A O no hydrogen 3.043 N/A ILE 374.A N GLY 351.A O no hydrogen 3.104 N/A HIS 375.A N ASN 378.A O no hydrogen 3.075 N/A GLY 376.A N ASP 350.A OD2 no hydrogen 2.877 N/A ASN 378.A N HIS 375.A O no hydrogen 3.001 N/A LEU 379.A N GLN 398.A O no hydrogen 2.897 N/A TYR 380.A N LEU 373.A O no hydrogen 2.773 N/A TYR 382.A N LEU 371.A O no hydrogen 2.808 N/A TYR 382.A OH HIS 346.A NE2 no hydrogen 2.682 N/A LYS 387.A N HIS 384.A ND1 no hydrogen 3.377 N/A LYS 387.A N HIS 384.A O no hydrogen 2.732 N/A LEU 388.A N HIS 384.A O no hydrogen 3.253 N/A LEU 388.A N VAL 385.A O no hydrogen 3.045 N/A ASN 389.A N VAL 385.A O no hydrogen 2.875 N/A ALA 390.A N ASP 386.A O no hydrogen 2.897 N/A GLN 398.A N LEU 379.A O no hydrogen 2.960 N/A VAL 400.A N PRO 377.A O no hydrogen 3.097 N/A LEU 404.A N SER 401.A O no hydrogen 2.766 N/A GLY 405.A N ARG 402.A O no hydrogen 3.022 N/A CYS 406.A N SER 401.A O no hydrogen 3.004 N/A CYS 406.A SG ARG 202.A O no hydrogen 3.277 N/A HIS 408.A N CYS 406.A O no hydrogen 2.630 N/A