Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a85_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASP 7.A OD2 no hydrogen 2.914 N/A ASP 7.A N ASN 4.A OD1 no hydrogen 2.728 N/A TYR 8.A N VAL 5.A O no hydrogen 2.908 N/A TYR 8.A OH GLU 321.A OE1 no hydrogen 3.024 N/A ARG 9.A N VAL 5.A O no hydrogen 3.012 N/A ARG 9.A NE GLU 6.A OE1 no hydrogen 3.097 N/A ARG 9.A NE GLU 6.A OE2 no hydrogen 3.250 N/A ARG 9.A NH2 GLU 6.A OE2 no hydrogen 2.981 N/A LYS 10.A N GLU 6.A O no hydrogen 2.974 N/A LEU 11.A N ASP 7.A O no hydrogen 3.058 N/A ALA 12.A N TYR 8.A O no hydrogen 2.789 N/A GLN 13.A N ARG 9.A O no hydrogen 2.861 N/A LYS 14.A N LYS 10.A O no hydrogen 3.186 N/A ARG 15.A N LEU 11.A O no hydrogen 3.243 N/A ARG 15.A N ALA 12.A O no hydrogen 3.167 N/A LEU 16.A N ALA 12.A O no hydrogen 2.822 N/A LYS 18.A NZ ASP 22.A OD2 no hydrogen 2.866 N/A TYR 21.A N PRO 17.A O no hydrogen 2.886 N/A ASP 22.A N LYS 18.A O no hydrogen 2.722 N/A TYR 23.A N MET 19.A O no hydrogen 3.123 N/A TYR 23.A OH ALA 78.A O no hydrogen 2.982 N/A LEU 24.A N VAL 20.A O no hydrogen 2.998 N/A GLU 25.A N TYR 21.A O no hydrogen 2.814 N/A GLY 26.A N ASP 22.A O no hydrogen 2.799 N/A GLY 27.A N GLU 31.A OE2 no hydrogen 2.639 N/A ALA 28.A N GLY 254.A O no hydrogen 2.961 N/A GLU 29.A N TYR 161.A O no hydrogen 2.841 N/A GLU 31.A N ALA 28.A O no hydrogen 2.949 N/A TYR 32.A N ASP 258.A OD2 no hydrogen 3.403 N/A GLY 33.A N ASP 258.A OD1 no hydrogen 2.731 N/A LYS 35.A NZ ASP 39.A OD1 no hydrogen 2.748 N/A LYS 35.A NZ ASP 39.A OD2 no hydrogen 2.938 N/A HIS 36.A N TYR 32.A O no hydrogen 2.853 N/A HIS 36.A NE2 GLU 265.A OE2 no hydrogen 2.451 N/A ASN 37.A N GLY 33.A O no hydrogen 2.889 N/A ARG 38.A N VAL 34.A O no hydrogen 3.320 N/A ARG 38.A N LYS 35.A O no hydrogen 3.123 N/A ARG 38.A NH1 GLY 283.A O no hydrogen 2.694 N/A ARG 38.A NH1 ASP 289.A OD2 no hydrogen 3.180 N/A ASP 39.A N LYS 35.A O no hydrogen 2.906 N/A VAL 40.A N HIS 36.A O no hydrogen 2.921 N/A PHE 41.A N ARG 38.A O no hydrogen 3.218 N/A GLN 42.A N ASP 39.A O no hydrogen 2.844 N/A GLN 43.A N VAL 40.A O no hydrogen 3.426 N/A TRP 44.A N PHE 41.A O no hydrogen 3.333 N/A ARG 45.A N GLN 351.A O no hydrogen 2.878 N/A LYS 47.A N TYR 349.A O no hydrogen 2.923 N/A LYS 49.A N ILE 337.A O no hydrogen 2.717 N/A LYS 49.A NZ ASP 348.A OD2 no hydrogen 2.724 N/A ARG 50.A NH1 GLN 336.A O no hydrogen 2.700 N/A SER 55.A N ASP 53.A OD1 no hydrogen 3.036 N/A SER 55.A OG ASP 53.A OD1 no hydrogen 2.719 N/A ARG 57.A NE ASP 331.A OD1 no hydrogen 2.811 N/A ARG 57.A NH1 VAL 54.A O no hydrogen 2.770 N/A ARG 57.A NH2 ASP 331.A OD1 no hydrogen 3.484 N/A ARG 57.A NH2 ASP 331.A OD2 no hydrogen 2.906 N/A SER 58.A N PRO 340.A O no hydrogen 2.849 N/A ALA 61.A N GLN 68.A O no hydrogen 3.148 N/A VAL 63.A N LYS 66.A O no hydrogen 2.842 N/A LEU 64.A N GLU 299.A OE2 no hydrogen 2.666 N/A LYS 66.A N VAL 63.A O no hydrogen 2.943 N/A LYS 66.A NZ ASP 122.A OD2 no hydrogen 2.917 N/A LYS 66.A NZ THR 148.A OG1 no hydrogen 3.317 N/A GLN 68.A N ALA 61.A O no hydrogen 2.879 N/A GLN 68.A NE2 MET 70.A O no hydrogen 2.786 N/A GLN 68.A NE2 LEU 72.A O no hydrogen 2.769 N/A SER 69.A N GLY 99.A O no hydrogen 3.240 N/A SER 69.A OG ALA 98.A O no hydrogen 2.336 N/A LEU 72.A N MET 70.A O no hydrogen 2.687 N/A ILE 74.A N PRO 101.A O no hydrogen 3.215 N/A GLY 75.A N LEU 303.A O no hydrogen 2.799 N/A LEU 79.A N ALA 107.A O no hydrogen 3.268 N/A ASN 80.A ND2 THR 77.A OG1 no hydrogen 2.836 N/A ALA 82.A N LEU 79.A O no hydrogen 3.042 N/A LEU 83.A N ASN 80.A O no hydrogen 2.934 N/A TRP 84.A N ASN 80.A O no hydrogen 3.238 N/A ALA 90.A N LYS 86.A O no hydrogen 3.031 N/A LEU 91.A N GLY 87.A O no hydrogen 2.992 N/A ALA 92.A N ASP 88.A O no hydrogen 3.038 N/A ARG 93.A N LEU 89.A O no hydrogen 2.984 N/A ARG 93.A NH2 GLN 118.A O no hydrogen 2.639 N/A ALA 94.A N ALA 90.A O no hydrogen 3.219 N/A ALA 95.A N LEU 91.A O no hydrogen 2.889 N/A THR 96.A N ALA 92.A O no hydrogen 2.997 N/A THR 96.A OG1 ALA 92.A O no hydrogen 2.767 N/A LYS 97.A N ARG 93.A O no hydrogen 2.901 N/A LYS 97.A NZ GLU 316.A OE2 no hydrogen 2.451 N/A LYS 97.A NZ ASP 320.A OD1 no hydrogen 3.408 N/A LYS 97.A NZ ASP 320.A OD2 no hydrogen 3.012 N/A ALA 98.A N ALA 94.A O no hydrogen 2.905 N/A GLY 99.A N THR 96.A O no hydrogen 3.280 N/A ILE 100.A N ALA 95.A O no hydrogen 2.937 N/A PHE 102.A N ASP 122.A O no hydrogen 3.142 N/A VAL 103.A N ILE 74.A O no hydrogen 3.093 N/A LEU 104.A N TRP 124.A O no hydrogen 2.769 N/A THR 106.A OG1 GLN 126.A O no hydrogen 2.638 N/A ALA 107.A N SER 105.A OG no hydrogen 3.056 N/A SER 108.A OG SER 105.A O no hydrogen 3.218 N/A SER 108.A OG MET 110.A O no hydrogen 2.558 N/A ASN 109.A N ASP 88.A OD2 no hydrogen 2.747 N/A MET 110.A N ASP 88.A OD2 no hydrogen 3.226 N/A SER 111.A OG GLU 113.A OE1 no hydrogen 2.691 N/A SER 111.A OG ASP 114.A OD2 no hydrogen 2.848 N/A ILE 112.A N ASN 180.A OD1 no hydrogen 2.974 N/A ASP 114.A N SER 111.A OG no hydrogen 3.195 N/A LEU 115.A N SER 111.A O no hydrogen 3.177 N/A ARG 117.A N GLU 113.A O no hydrogen 2.934 N/A ARG 117.A NH2 ASP 114.A OD1 no hydrogen 3.099 N/A GLN 118.A N ASP 114.A O no hydrogen 2.973 N/A GLN 118.A NE2 ASP 114.A O no hydrogen 3.244 N/A CYS 119.A SG ALA 92.A O no hydrogen 3.764 N/A CYS 119.A SG THR 96.A OG1 no hydrogen 3.371 N/A TRP 124.A N PHE 102.A O no hydrogen 2.788 N/A PHE 125.A N THR 149.A O no hydrogen 2.932 N/A GLN 126.A N LEU 104.A O no hydrogen 2.772 N/A LEU 127.A N VAL 151.A O no hydrogen 2.630 N/A TYR 128.A N THR 106.A OG1 no hydrogen 2.740 N/A ALA 135.A N HIS 131.A O no hydrogen 2.832 N/A GLN 136.A N ARG 132.A O no hydrogen 3.224 N/A GLY 137.A N GLU 133.A O no hydrogen 3.304 N/A MET 138.A N ILE 134.A O no hydrogen 3.259 N/A VAL 139.A N ALA 135.A O no hydrogen 2.944 N/A LEU 140.A N GLN 136.A O no hydrogen 3.046 N/A LYS 141.A N GLY 137.A O no hydrogen 2.935 N/A ALA 142.A N MET 138.A O no hydrogen 2.725 N/A LEU 143.A N VAL 139.A O no hydrogen 2.919 N/A HIS 144.A N LEU 140.A O no hydrogen 2.841 N/A THR 145.A N LYS 141.A O no hydrogen 3.130 N/A THR 145.A OG1 LYS 141.A O no hydrogen 2.991 N/A THR 145.A OG1 ALA 142.A O no hydrogen 3.091 N/A GLY 146.A N LEU 143.A O no hydrogen 3.397 N/A TYR 147.A N ALA 142.A O no hydrogen 2.965 N/A TYR 147.A OH ILE 112.A O no hydrogen 2.798 N/A THR 148.A N LEU 123.A O no hydrogen 3.071 N/A THR 148.A OG1 ASP 122.A OD1 no hydrogen 2.602 N/A THR 148.A OG1 THR 149.A OG1 no hydrogen 3.192 N/A THR 149.A OG1 THR 148.A OG1 no hydrogen 3.192 N/A LEU 150.A N LYS 224.A O no hydrogen 3.068 N/A VAL 151.A N PHE 125.A O no hydrogen 2.739 N/A LEU 152.A N LEU 226.A O no hydrogen 2.902 N/A THR 153.A N LEU 127.A O no hydrogen 3.270 N/A THR 154.A N LYS 228.A O no hydrogen 2.895 N/A THR 154.A OG1 LYS 228.A O no hydrogen 3.043 N/A ASN 159.A ND2 ARG 203.A O no hydrogen 3.330 N/A ARG 162.A NH1 ARG 255.A O no hydrogen 3.030 N/A ARG 164.A NE GLU 31.A OE2 no hydrogen 3.270 N/A ARG 164.A NH1 ASP 22.A OD1 no hydrogen 2.855 N/A ARG 164.A NH2 GLU 31.A OE1 no hydrogen 3.149 N/A LEU 166.A N ARG 162.A O no hydrogen 3.367 N/A HIS 167.A N GLU 163.A O no hydrogen 2.747 N/A ASN 168.A N ARG 164.A O no hydrogen 3.040 N/A ASN 168.A ND2 ASP 22.A OD2 no hydrogen 3.060 N/A ARG 169.A N LEU 166.A O no hydrogen 3.135 N/A ARG 169.A NH1 HIS 167.A O no hydrogen 2.898 N/A PHE 170.A N ASP 165.A O no hydrogen 2.888 N/A LEU 176.A N PRO 173.A O no hydrogen 2.941 N/A LYS 179.A NZ GLU 182.A OE1 no hydrogen 2.746 N/A LYS 179.A NZ GLU 182.A OE2 no hydrogen 3.348 N/A ASN 180.A ND2 THR 106.A O no hydrogen 2.817 N/A PHE 181.A N LEU 178.A O no hydrogen 2.947 N/A GLU 182.A N LYS 179.A O no hydrogen 2.953 N/A ILE 184.A N PHE 181.A O no hydrogen 3.300 N/A ASP 185.A N GLY 183.A O no hydrogen 2.482 N/A ASN 193.A ND2 ASP 185.A OD2 no hydrogen 3.302 N/A LEU 194.A N LYS 191.A O no hydrogen 2.675 N/A GLU 195.A N LYS 191.A O no hydrogen 2.916 N/A LEU 200.A N MET 196.A O no hydrogen 2.887 N/A SER 202.A N ALA 199.A O no hydrogen 3.204 N/A SER 202.A OG ALA 198.A O no hydrogen 2.647 N/A ASP 206.A N VAL 129.A O no hydrogen 2.954 N/A SER 208.A N ASP 206.A OD1 no hydrogen 3.324 N/A PHE 209.A N ASP 206.A O no hydrogen 3.415 N/A LEU 214.A N ASN 210.A O no hydrogen 3.113 N/A LEU 214.A N TRP 211.A O no hydrogen 2.885 N/A ARG 215.A N TRP 211.A O no hydrogen 3.151 N/A ARG 215.A N GLU 212.A O no hydrogen 3.022 N/A ARG 215.A NE GLU 242.A OE1 no hydrogen 2.747 N/A ARG 215.A NH2 GLU 242.A OE2 no hydrogen 2.830 N/A TRP 216.A N GLU 212.A O no hydrogen 3.254 N/A LEU 217.A N ALA 213.A O no hydrogen 3.111 N/A ARG 218.A N LEU 214.A O no hydrogen 2.801 N/A ARG 218.A NE ARG 218.A O no hydrogen 2.781 N/A ARG 218.A NH1 GLY 243.A O no hydrogen 3.182 N/A ARG 218.A NH1 ASP 245.A OD2 no hydrogen 2.951 N/A ARG 218.A NH2 TRP 221.A O no hydrogen 2.720 N/A ARG 218.A NH2 HIS 223.A O no hydrogen 2.780 N/A ASP 219.A N ARG 215.A O no hydrogen 2.943 N/A LEU 220.A N TRP 216.A O no hydrogen 3.133 N/A TRP 221.A N LEU 217.A O no hydrogen 3.038 N/A TRP 221.A NE1 LYS 224.A O no hydrogen 2.882 N/A LEU 225.A N ASP 245.A OD2 no hydrogen 2.684 N/A LEU 226.A N LEU 150.A O no hydrogen 2.991 N/A VAL 227.A N GLY 246.A O no hydrogen 3.334 N/A LYS 228.A N LEU 152.A O no hydrogen 2.742 N/A GLY 229.A N ILE 248.A O no hydrogen 3.001 N/A LEU 230.A N ILE 248.A O no hydrogen 3.398 N/A ASP 235.A N SER 232.A OG no hydrogen 2.886 N/A ALA 236.A N SER 232.A O no hydrogen 3.189 N/A ASP 237.A N ALA 233.A O no hydrogen 2.958 N/A ARG 238.A N GLU 234.A O no hydrogen 3.010 N/A ARG 238.A NE GLU 242.A OE2 no hydrogen 2.760 N/A ARG 238.A NH2 GLU 242.A OE2 no hydrogen 3.064 N/A CYS 239.A N ASP 235.A O no hydrogen 3.046 N/A CYS 239.A SG ASP 235.A O no hydrogen 3.281 N/A ILE 240.A N ALA 236.A O no hydrogen 3.104 N/A ALA 241.A N ASP 237.A O no hydrogen 2.924 N/A GLU 242.A N ARG 238.A O no hydrogen 2.812 N/A GLU 242.A N CYS 239.A O no hydrogen 3.171 N/A GLY 243.A N ILE 240.A O no hydrogen 3.114 N/A ALA 244.A N CYS 239.A O no hydrogen 2.892 N/A ASP 245.A N LEU 225.A O no hydrogen 2.799 N/A VAL 247.A N PRO 277.A O no hydrogen 3.152 N/A ILE 248.A N VAL 227.A O no hydrogen 2.740 N/A LEU 249.A N LEU 279.A O no hydrogen 2.981 N/A SER 250.A N LEU 230.A O no hydrogen 3.064 N/A SER 250.A OG ASP 281.A OD1 no hydrogen 2.771 N/A ASN 251.A N SER 282.A OG no hydrogen 3.205 N/A ASN 251.A ND2 ILE 261.A O no hydrogen 3.096 N/A HIS 252.A N SER 250.A OG no hydrogen 2.982 N/A HIS 252.A ND1 ASP 155.A OD2 no hydrogen 3.164 N/A GLY 253.A N SER 282.A OG no hydrogen 3.027 N/A GLY 254.A N ASN 251.A O no hydrogen 3.228 N/A GLY 254.A N ASN 251.A OD1 no hydrogen 2.859 N/A ARG 255.A N HIS 252.A O no hydrogen 3.271 N/A ARG 255.A NH1 TYR 23.A O no hydrogen 2.935 N/A ARG 255.A NH2 TYR 23.A O no hydrogen 3.047 N/A ALA 260.A N LEU 257.A O no hydrogen 2.950 N/A SER 262.A N GLU 265.A OE2 no hydrogen 2.824 N/A MET 264.A N SER 262.A OG no hydrogen 3.182 N/A GLU 265.A N SER 262.A O no hydrogen 2.750 N/A VAL 266.A N PRO 263.A O no hydrogen 3.151 N/A LEU 267.A N MET 264.A O no hydrogen 3.479 N/A SER 270.A N VAL 266.A O no hydrogen 2.950 N/A SER 270.A OG VAL 266.A O no hydrogen 2.708 N/A VAL 271.A N LEU 267.A O no hydrogen 2.960 N/A ALA 272.A N ALA 268.A O no hydrogen 3.054 N/A LYS 273.A N GLN 269.A O no hydrogen 2.866 N/A THR 274.A N SER 270.A O no hydrogen 2.942 N/A THR 274.A OG1 SER 270.A O no hydrogen 2.834 N/A THR 274.A OG1 LYS 276.A O no hydrogen 3.290 N/A GLY 275.A N VAL 271.A O no hydrogen 3.326 N/A LYS 276.A N THR 274.A OG1 no hydrogen 3.164 N/A LEU 279.A N VAL 247.A O no hydrogen 2.848 N/A ILE 280.A N ALA 300.A O no hydrogen 3.105 N/A ASP 281.A N LEU 249.A O no hydrogen 3.295 N/A SER 282.A OG ASN 251.A OD1 no hydrogen 3.265 N/A SER 282.A OG ASP 281.A OD1 no hydrogen 2.715 N/A ARG 285.A N ASP 289.A OD2 no hydrogen 3.120 N/A ARG 285.A NH1 PHE 284.A O no hydrogen 2.904 N/A ARG 286.A N ASP 289.A OD2 no hydrogen 2.753 N/A GLY 287.A N ASP 329.A OD2 no hydrogen 2.831 N/A ASP 289.A N ARG 286.A O no hydrogen 3.090 N/A ILE 290.A N ARG 286.A O no hydrogen 3.271 N/A VAL 291.A N GLY 287.A O no hydrogen 2.880 N/A LYS 292.A N SER 288.A O no hydrogen 2.984 N/A LYS 292.A NZ PHE 41.A O no hydrogen 2.797 N/A LYS 292.A NZ TRP 44.A O no hydrogen 2.848 N/A ALA 293.A N ASP 289.A O no hydrogen 3.160 N/A LEU 294.A N ILE 290.A O no hydrogen 2.968 N/A ALA 295.A N VAL 291.A O no hydrogen 2.750 N/A LEU 296.A N LYS 292.A O no hydrogen 2.993 N/A LEU 296.A N ALA 293.A O no hydrogen 3.062 N/A GLY 297.A N LEU 294.A O no hydrogen 3.144 N/A ALA 298.A N ALA 293.A O no hydrogen 3.092 N/A GLU 299.A N VAL 278.A O no hydrogen 2.926 N/A VAL 301.A N PRO 71.A O no hydrogen 2.929 N/A LEU 302.A N ILE 280.A O no hydrogen 2.856 N/A LEU 303.A N LEU 73.A O no hydrogen 2.648 N/A ARG 305.A NE LEU 24.A O no hydrogen 2.863 N/A ARG 305.A NH1 GLY 253.A O no hydrogen 3.334 N/A ARG 305.A NH2 GLY 26.A O no hydrogen 3.071 N/A ARG 305.A NH2 GLY 253.A O no hydrogen 2.930 N/A THR 307.A OG1 GLY 304.A O no hydrogen 3.519 N/A LEU 308.A N GLY 304.A O no hydrogen 3.436 N/A TYR 309.A N ARG 305.A O no hydrogen 2.891 N/A TYR 309.A N ALA 306.A O no hydrogen 3.229 N/A TYR 309.A OH GLU 25.A OE1 no hydrogen 2.670 N/A TYR 309.A OH GLU 25.A OE2 no hydrogen 3.028 N/A LEU 311.A N THR 307.A O no hydrogen 3.029 N/A ALA 312.A N LEU 308.A O no hydrogen 2.814 N/A ALA 313.A N TYR 309.A O no hydrogen 2.919 N/A ARG 314.A N GLY 310.A O no hydrogen 2.873 N/A ARG 314.A NE GLU 321.A OE1 no hydrogen 2.743 N/A ARG 314.A NE GLU 321.A OE2 no hydrogen 3.404 N/A ARG 314.A NH2 GLU 321.A OE2 no hydrogen 3.280 N/A GLY 315.A N LEU 311.A O no hydrogen 2.661 N/A GLY 318.A N ARG 314.A O no hydrogen 3.148 N/A VAL 319.A N GLY 315.A O no hydrogen 3.047 N/A ASP 320.A N GLU 316.A O no hydrogen 2.919 N/A GLU 321.A N THR 317.A O no hydrogen 2.847 N/A VAL 322.A N GLY 318.A O no hydrogen 3.069 N/A LEU 323.A N VAL 319.A O no hydrogen 2.996 N/A THR 324.A N ASP 320.A O no hydrogen 2.788 N/A THR 324.A OG1 ASP 320.A O no hydrogen 3.082 N/A LEU 325.A N GLU 321.A O no hydrogen 2.919 N/A LEU 326.A N VAL 322.A O no hydrogen 2.954 N/A LYS 327.A N LEU 323.A O no hydrogen 2.937 N/A ALA 328.A N THR 324.A O no hydrogen 3.061 N/A ASP 329.A N LEU 325.A O no hydrogen 2.683 N/A ILE 330.A N LEU 326.A O no hydrogen 2.825 N/A ASP 331.A N LYS 327.A O no hydrogen 2.787 N/A ARG 332.A N ALA 328.A O no hydrogen 2.776 N/A THR 333.A N ASP 329.A O no hydrogen 2.974 N/A THR 333.A OG1 ASP 329.A O no hydrogen 2.709 N/A LEU 334.A N ILE 330.A O no hydrogen 3.029 N/A ALA 335.A N ASP 331.A O no hydrogen 3.137 N/A GLN 336.A N ARG 332.A O no hydrogen 3.059 N/A GLN 336.A NE2 ARG 332.A O no hydrogen 2.787 N/A ILE 337.A N THR 333.A O no hydrogen 3.079 N/A GLY 338.A N ALA 335.A O no hydrogen 3.326 N/A CYS 339.A N LEU 334.A O no hydrogen 2.984 N/A CYS 339.A SG ASP 341.A O no hydrogen 3.390 N/A CYS 339.A SG TYR 349.A OH no hydrogen 3.639 N/A ILE 342.A N SER 58.A O no hydrogen 2.922 N/A THR 343.A N ASP 341.A OD1 no hydrogen 2.839 N/A THR 343.A OG1 ASP 341.A OD1 no hydrogen 2.383 N/A SER 344.A N ASP 341.A O no hydrogen 2.764 N/A SER 344.A OG ASP 341.A O no hydrogen 3.557 N/A TYR 349.A N SER 346.A O no hydrogen 3.182 N/A LEU 350.A N PRO 347.A O no hydrogen 3.015 N/A GLN 351.A N ARG 45.A O no hydrogen 2.847 N/A GLN 351.A NE2 ASN 352.A O no hydrogen 3.202 N/A GLU 353.A N GLN 43.A O no hydrogen 2.739 N/A