Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aw8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N SER 24.A O no hydrogen 2.867 N/A GLY 3.A N LEU 62.A O no hydrogen 3.080 N/A ILE 4.A N ARG 26.A O no hydrogen 2.865 N/A LEU 5.A N THR 64.A O no hydrogen 2.907 N/A GLY 6.A N LEU 28.A O no hydrogen 2.866 N/A GLY 7.A N ASP 29.A OD2 no hydrogen 2.866 N/A GLY 8.A N GLU 66.A OE1 no hydrogen 3.240 N/A GLN 9.A N GLN 9.A OE1 no hydrogen 2.779 N/A GLY 11.A N GLU 66.A OE2 no hydrogen 2.578 N/A ARG 12.A N GLY 8.A O no hydrogen 3.008 N/A ARG 12.A NH1 CYS 35.A O no hydrogen 3.071 N/A ARG 12.A NH1 GLN 38.A OE1 no hydrogen 3.104 N/A MET 13.A N GLN 9.A O no hydrogen 2.858 N/A LEU 14.A N LEU 10.A O no hydrogen 3.043 N/A ALA 15.A N GLY 11.A O no hydrogen 3.018 N/A LEU 16.A N ARG 12.A O no hydrogen 3.109 N/A ALA 17.A N MET 13.A O no hydrogen 2.960 N/A GLY 18.A N LEU 14.A O no hydrogen 2.881 N/A GLY 18.A N ALA 15.A O no hydrogen 2.952 N/A TYR 19.A N ALA 15.A O no hydrogen 3.007 N/A TYR 19.A OH VAL 39.A O no hydrogen 2.679 N/A LEU 21.A N GLY 18.A O no hydrogen 2.842 N/A GLY 22.A N TYR 19.A O no hydrogen 2.747 N/A LEU 23.A N GLY 18.A O no hydrogen 3.307 N/A ARG 26.A N ILE 2.A O no hydrogen 3.057 N/A ARG 26.A NE GLU 41.A OE1 no hydrogen 3.409 N/A ARG 26.A NE GLU 41.A OE2 no hydrogen 3.318 N/A ARG 26.A NH1 PHE 56.A O no hydrogen 2.838 N/A ARG 26.A NH1 GLU 58.A O no hydrogen 2.762 N/A ARG 26.A NH2 GLU 58.A OE1 no hydrogen 3.076 N/A PHE 27.A N GLU 41.A O no hydrogen 2.618 N/A LEU 28.A N ILE 4.A O no hydrogen 3.183 N/A ASP 29.A N VAL 43.A O no hydrogen 3.104 N/A SER 31.A N ASP 29.A OD1 no hydrogen 2.914 N/A GLU 33.A N SER 31.A OG no hydrogen 3.310 N/A ALA 34.A N SER 31.A O no hydrogen 3.062 N/A ALA 36.A N GLY 7.A O no hydrogen 2.898 N/A GLY 37.A N ALA 34.A O no hydrogen 2.868 N/A GLN 38.A N CYS 35.A O no hydrogen 3.248 N/A GLN 38.A NE2 GLY 321.A O no hydrogen 3.044 N/A VAL 39.A N ALA 36.A O no hydrogen 2.729 N/A VAL 43.A N PHE 27.A O no hydrogen 2.726 N/A GLY 45.A N ASP 29.A O no hydrogen 3.000 N/A ASP 49.A N GLU 46.A O no hydrogen 3.148 N/A ALA 52.A N ASP 49.A OD2 no hydrogen 3.204 N/A LEU 53.A N ASP 49.A O no hydrogen 2.944 N/A LEU 54.A N GLU 50.A O no hydrogen 2.950 N/A ARG 55.A N GLY 51.A O no hydrogen 3.022 N/A PHE 56.A N ALA 52.A O no hydrogen 2.931 N/A ALA 57.A N LEU 53.A O no hydrogen 3.069 N/A ALA 57.A N LEU 54.A O no hydrogen 3.213 N/A GLU 58.A N ARG 55.A O no hydrogen 3.411 N/A LEU 60.A N ALA 57.A O no hydrogen 3.133 N/A ALA 61.A N MET 1.A O no hydrogen 2.917 N/A VAL 63.A N PRO 83.A O no hydrogen 2.950 N/A THR 64.A N GLY 3.A O no hydrogen 2.942 N/A THR 64.A OG1 TYR 85.A O no hydrogen 2.738 N/A THR 64.A OG1 HIS 276.A NE2 no hydrogen 2.898 N/A TYR 65.A OH PRO 86.A O no hydrogen 3.088 N/A TYR 65.A OH PRO 87.A O no hydrogen 3.336 N/A GLU 66.A N LEU 5.A O no hydrogen 2.883 N/A PHE 67.A N LEU 5.A O no hydrogen 3.430 N/A VAL 70.A N PHE 67.A O no hydrogen 3.092 N/A ALA 74.A N PRO 71.A O no hydrogen 2.927 N/A ARG 76.A N VAL 72.A O no hydrogen 2.944 N/A ARG 76.A NE GLU 92.A OE1 no hydrogen 3.195 N/A ARG 76.A NH2 GLU 92.A OE1 no hydrogen 2.890 N/A ARG 77.A N GLU 73.A O no hydrogen 2.958 N/A ARG 77.A NE GLU 50.A OE1 no hydrogen 2.574 N/A ARG 77.A NH1 GLU 50.A OE1 no hydrogen 3.397 N/A ARG 77.A NH2 ARG 77.A O no hydrogen 3.049 N/A GLU 79.A N ALA 75.A O no hydrogen 3.119 N/A GLU 79.A N ARG 76.A O no hydrogen 3.261 N/A LEU 82.A N LEU 78.A O no hydrogen 2.972 N/A TYR 85.A N VAL 63.A O no hydrogen 3.139 N/A ALA 90.A N PRO 87.A O no hydrogen 3.018 N/A GLU 92.A N ALA 88.A O no hydrogen 3.174 N/A VAL 93.A N LYS 89.A O no hydrogen 2.843 N/A ALA 94.A N ALA 90.A O no hydrogen 2.939 N/A GLN 95.A N LEU 91.A O no hydrogen 2.874 N/A GLN 95.A N GLU 92.A O no hydrogen 3.350 N/A GLN 95.A NE2 GLU 68.A O no hydrogen 2.850 N/A GLN 95.A NE2 VAL 70.A O no hydrogen 2.964 N/A ASP 96.A N VAL 93.A O no hydrogen 3.472 N/A ARG 97.A N ARG 139.A O no hydrogen 2.806 N/A ARG 97.A NH1 THR 138.A O no hydrogen 2.660 N/A LEU 98.A N ASP 96.A OD1 no hydrogen 3.002 N/A ARG 99.A N ASP 96.A OD1 no hydrogen 3.441 N/A GLU 100.A N ASP 96.A O no hydrogen 2.728 N/A LYS 101.A N ARG 97.A O no hydrogen 2.990 N/A LYS 101.A NZ GLU 166.A OE1 no hydrogen 3.342 N/A LYS 101.A NZ PHE 250.A O no hydrogen 3.454 N/A THR 102.A N LEU 98.A O no hydrogen 2.922 N/A THR 102.A OG1 LEU 98.A O no hydrogen 3.415 N/A THR 102.A OG1 ARG 99.A O no hydrogen 3.220 N/A PHE 103.A N ARG 99.A O no hydrogen 3.230 N/A PHE 104.A N GLU 100.A O no hydrogen 3.180 N/A GLN 105.A N LYS 101.A O no hydrogen 2.704 N/A GLY 106.A N THR 102.A O no hydrogen 2.705 N/A LEU 107.A N PHE 104.A O no hydrogen 2.887 N/A GLY 108.A N GLN 105.A O no hydrogen 3.425 N/A VAL 109.A N PHE 104.A O no hydrogen 3.189 N/A THR 111.A OG1 PRO 112.A O no hydrogen 3.237 N/A HIS 115.A N LEU 165.A O no hydrogen 2.805 N/A VAL 117.A N LEU 163.A O no hydrogen 3.020 N/A ASP 118.A N ASP 122.A OD2 no hydrogen 3.369 N/A GLY 119.A N ASP 122.A OD2 no hydrogen 2.753 N/A ASP 122.A N GLY 119.A O no hydrogen 2.606 N/A LEU 123.A N GLY 119.A O no hydrogen 2.939 N/A GLU 124.A N PRO 120.A O no hydrogen 3.223 N/A GLU 125.A N GLU 121.A O no hydrogen 2.763 N/A GLY 126.A N ASP 122.A O no hydrogen 3.062 N/A LEU 127.A N GLU 124.A O no hydrogen 2.942 N/A ALA 134.A N VAL 145.A O no hydrogen 2.948 N/A LEU 135.A N GLU 166.A O no hydrogen 2.654 N/A LEU 136.A N ALA 143.A O no hydrogen 3.077 N/A LYS 137.A N ILE 164.A O no hydrogen 2.959 N/A LYS 137.A NZ GLU 166.A OE1 no hydrogen 3.417 N/A THR 138.A N GLY 141.A O no hydrogen 2.853 N/A ARG 139.A N GLY 162.A O no hydrogen 2.935 N/A ARG 140.A N THR 138.A OG1 no hydrogen 3.405 N/A ARG 140.A NE ASP 96.A OD2 no hydrogen 3.046 N/A ALA 143.A N LEU 136.A O no hydrogen 2.969 N/A VAL 145.A N ALA 134.A O no hydrogen 2.743 N/A ARG 146.A N GLU 150.A OE1 no hydrogen 2.960 N/A THR 147.A N GLU 150.A OE1 no hydrogen 3.501 N/A ALA 151.A N THR 147.A O no hydrogen 3.099 N/A GLU 153.A N GLU 149.A O no hydrogen 2.992 N/A ALA 154.A N ALA 151.A O no hydrogen 2.554 N/A LEU 155.A N ALA 151.A O no hydrogen 3.218 N/A GLY 162.A N ASP 118.A OD1 no hydrogen 3.282 N/A LEU 163.A N VAL 117.A O no hydrogen 3.248 N/A ILE 164.A N LYS 137.A O no hydrogen 2.766 N/A LEU 165.A N HIS 115.A O no hydrogen 2.882 N/A GLU 166.A N LEU 135.A O no hydrogen 2.724 N/A GLY 167.A N PRO 113.A O no hydrogen 2.699 N/A ASP 172.A N GLN 243.A O no hydrogen 2.702 N/A ARG 173.A N GLN 243.A O no hydrogen 3.468 N/A ARG 173.A NE GLN 243.A OE1 no hydrogen 2.652 N/A ARG 173.A NH1 GLN 243.A OE1 no hydrogen 2.872 N/A ARG 173.A NH2 GLU 194.A OE2 no hydrogen 2.931 N/A ARG 173.A NH2 PRO 210.A O no hydrogen 2.849 N/A VAL 175.A N PHE 241.A O no hydrogen 3.127 N/A SER 176.A N VAL 193.A O no hydrogen 2.882 N/A SER 176.A OG ASN 195.A OD1 no hydrogen 3.008 N/A SER 176.A OG SER 260.A OG no hydrogen 2.826 N/A LEU 177.A N LEU 239.A O no hydrogen 2.737 N/A ALA 179.A N LEU 237.A O no hydrogen 2.807 N/A VAL 180.A N ALA 188.A O no hydrogen 3.022 N/A ARG 181.A N GLY 235.A O no hydrogen 2.973 N/A ARG 181.A NH2 TYR 233.A O no hydrogen 2.663 N/A GLY 182.A N GLU 186.A O no hydrogen 2.815 N/A ARG 183.A N ALA 279.A O no hydrogen 3.106 N/A GLY 185.A N GLY 182.A O no hydrogen 3.148 N/A GLU 186.A N THR 184.A OG1 no hydrogen 3.269 N/A ALA 188.A N VAL 180.A O no hydrogen 2.928 N/A TYR 190.A N LEU 178.A O no hydrogen 3.088 N/A TYR 190.A OH THR 270.A O no hydrogen 2.845 N/A LEU 192.A N GLN 217.A OE1 no hydrogen 2.493 N/A VAL 193.A N SER 176.A O no hydrogen 2.964 N/A GLU 194.A N LEU 206.A O no hydrogen 2.850 N/A ASN 195.A N GLU 174.A O no hydrogen 2.985 N/A ASN 195.A ND2 SER 205.A OG no hydrogen 2.780 N/A ARG 196.A N LEU 204.A O no hydrogen 2.769 N/A ARG 196.A NE GLU 194.A OE1 no hydrogen 3.215 N/A ARG 196.A NH1 PRO 358.A O no hydrogen 3.473 N/A ARG 196.A NH2 GLU 194.A OE1 no hydrogen 3.399 N/A TRP 198.A N ILE 201.A O no hydrogen 3.035 N/A ILE 201.A N TRP 198.A O no hydrogen 3.322 N/A ARG 203.A N ARG 196.A O no hydrogen 2.797 N/A ARG 203.A NE TRP 198.A O no hydrogen 2.847 N/A ARG 203.A NH1 GLU 356.A OE1 no hydrogen 3.114 N/A ARG 203.A NH2 TRP 198.A O no hydrogen 3.046 N/A ARG 203.A NH2 GLU 356.A OE1 no hydrogen 3.376 N/A LEU 204.A N ARG 196.A O no hydrogen 3.242 N/A SER 205.A N MET 296.A O no hydrogen 2.813 N/A LEU 206.A N GLU 194.A O no hydrogen 2.711 N/A ALA 207.A N SER 294.A O no hydrogen 3.043 N/A ALA 209.A N LEU 192.A O no hydrogen 2.850 N/A ALA 212.A N ALA 209.A O no hydrogen 2.947 N/A ALA 215.A N SER 213.A OG no hydrogen 2.782 N/A LEU 216.A N SER 213.A OG no hydrogen 3.008 N/A GLN 217.A N SER 213.A O no hydrogen 3.371 N/A LYS 219.A N ALA 215.A O no hydrogen 2.840 N/A LYS 219.A NZ TYR 223.A OH no hydrogen 2.694 N/A LYS 219.A NZ GLU 247.A OE1 no hydrogen 3.288 N/A ALA 220.A N LEU 216.A O no hydrogen 2.992 N/A GLU 221.A N GLN 217.A O no hydrogen 2.843 N/A ALA 222.A N LYS 218.A O no hydrogen 2.762 N/A TYR 223.A N LYS 219.A O no hydrogen 3.075 N/A ALA 224.A N ALA 220.A O no hydrogen 2.900 N/A LEU 225.A N GLU 221.A O no hydrogen 2.826 N/A ARG 226.A N ALA 222.A O no hydrogen 3.141 N/A ARG 226.A NE LEU 107.A O no hydrogen 3.030 N/A ALA 227.A N TYR 223.A O no hydrogen 3.108 N/A MET 228.A N ALA 224.A O no hydrogen 2.994 N/A GLU 229.A N LEU 225.A O no hydrogen 3.064 N/A ALA 230.A N ARG 226.A O no hydrogen 2.968 N/A LEU 231.A N ALA 227.A O no hydrogen 3.097 N/A ASP 232.A N GLU 229.A O no hydrogen 3.310 N/A TYR 233.A N MET 228.A O no hydrogen 2.755 N/A TYR 233.A OH VAL 236.A O no hydrogen 2.574 N/A GLY 235.A N ARG 181.A O no hydrogen 2.809 N/A VAL 236.A N HIS 276.A ND1 no hydrogen 2.966 N/A LEU 237.A N ALA 179.A O no hydrogen 2.689 N/A ALA 238.A N ALA 254.A O no hydrogen 3.073 N/A LEU 239.A N LEU 177.A O no hydrogen 3.128 N/A GLU 240.A N GLU 252.A O no hydrogen 2.790 N/A PHE 241.A N VAL 175.A O no hydrogen 2.799 N/A PHE 242.A N LEU 249.A O no hydrogen 2.928 N/A GLN 243.A N ARG 173.A O no hydrogen 2.861 N/A GLN 243.A NE2 GLY 245.A O no hydrogen 3.261 N/A VAL 244.A N GLU 247.A O no hydrogen 3.026 N/A GLY 245.A N ASP 172.A OD1 no hydrogen 2.622 N/A GLU 247.A N VAL 244.A O no hydrogen 2.868 N/A LEU 249.A N PHE 242.A O no hydrogen 3.029 N/A PHE 250.A N PRO 110.A O no hydrogen 2.728 N/A ASN 251.A N GLU 240.A O no hydrogen 2.751 N/A GLU 252.A N GLU 240.A O no hydrogen 3.314 N/A MET 253.A N GLU 100.A OE1 no hydrogen 2.594 N/A ALA 254.A N ALA 238.A O no hydrogen 2.933 N/A ARG 256.A N ALA 254.A O no hydrogen 2.770 N/A ARG 256.A NH1 VAL 257.A O no hydrogen 2.776 N/A HIS 258.A N GLN 272.A OE1 no hydrogen 2.975 N/A HIS 258.A ND1 SER 260.A OG no hydrogen 2.977 N/A ASN 259.A ND2 ASN 298.A OD1 no hydrogen 3.145 N/A SER 260.A N HIS 258.A ND1 no hydrogen 3.127 N/A SER 260.A OG SER 176.A OG no hydrogen 2.826 N/A SER 260.A OG HIS 258.A ND1 no hydrogen 2.977 N/A GLY 261.A N HIS 258.A O no hydrogen 2.920 N/A HIS 262.A N ASN 259.A O no hydrogen 3.332 N/A THR 264.A N GLY 261.A O no hydrogen 2.923 N/A THR 264.A OG1 GLY 261.A O no hydrogen 2.870 N/A ILE 265.A N HIS 262.A O no hydrogen 3.291 N/A GLY 267.A N TRP 263.A O no hydrogen 2.728 N/A GLU 269.A N ALA 289.A O no hydrogen 2.802 N/A THR 270.A OG1 SER 287.A O no hydrogen 2.670 N/A GLN 272.A N THR 264.A OG1 no hydrogen 2.811 N/A GLN 272.A NE2 HIS 258.A O no hydrogen 2.808 N/A GLU 274.A N SER 271.A OG no hydrogen 2.872 N/A ASN 275.A N SER 271.A O no hydrogen 2.949 N/A HIS 276.A N GLN 272.A O no hydrogen 2.845 N/A HIS 276.A NE2 THR 64.A OG1 no hydrogen 2.898 N/A LEU 277.A N PHE 273.A O no hydrogen 3.183 N/A ARG 278.A N GLU 274.A O no hydrogen 2.790 N/A ARG 278.A NE PRO 284.A O no hydrogen 2.891 N/A ARG 278.A NH1 GLU 274.A OE1 no hydrogen 2.630 N/A ARG 278.A NH2 PRO 284.A O no hydrogen 3.278 N/A ALA 279.A N ASN 275.A O no hydrogen 2.748 N/A VAL 280.A N HIS 276.A O no hydrogen 3.030 N/A LEU 281.A N ARG 278.A O no hydrogen 3.250 N/A GLY 282.A N ALA 279.A O no hydrogen 2.945 N/A LEU 283.A N ARG 278.A O no hydrogen 2.908 N/A LEU 285.A N GLU 186.A OE1 no hydrogen 3.224 N/A THR 288.A OG1 PHE 189.A O no hydrogen 2.726 N/A ALA 289.A N SER 287.A OG no hydrogen 3.253 N/A ARG 291.A N GLY 267.A O no hydrogen 2.694 N/A ARG 291.A NE GLU 269.A OE2 no hydrogen 3.022 N/A ARG 291.A NH1 GLU 269.A OE1 no hydrogen 3.445 N/A ARG 291.A NH2 GLU 266.A O no hydrogen 3.395 N/A GLN 293.A N ARG 337.A O no hydrogen 2.901 N/A SER 294.A N ALA 207.A O no hydrogen 2.805 N/A ALA 295.A N LEU 335.A O no hydrogen 2.956 N/A MET 296.A N SER 205.A O no hydrogen 2.751 N/A VAL 297.A N ILE 333.A O no hydrogen 2.972 N/A ASN 298.A N ARG 203.A O no hydrogen 3.147 N/A ASN 298.A ND2 LEU 202.A O no hydrogen 2.732 N/A ASN 298.A ND2 ASN 259.A OD1 no hydrogen 2.898 N/A LEU 299.A N GLY 331.A O no hydrogen 2.959 N/A GLY 301.A N ARG 328.A O no hydrogen 2.713 N/A VAL 309.A N PRO 305.A O no hydrogen 3.183 N/A LEU 310.A N PHE 306.A O no hydrogen 2.895 N/A VAL 312.A N VAL 309.A O no hydrogen 3.215 N/A HIS 316.A N THR 334.A O no hydrogen 2.708 N/A HIS 318.A N HIS 332.A O no hydrogen 2.917 N/A HIS 318.A NE2 GLU 266.A OE1 no hydrogen 3.202 N/A TYR 320.A N VAL 330.A O no hydrogen 3.063 N/A TYR 320.A OH HIS 332.A ND1 no hydrogen 2.541 N/A LYS 322.A NZ GLN 9.A OE1 no hydrogen 2.706 N/A LYS 322.A NZ LYS 329.A O no hydrogen 3.001 N/A ARG 328.A N ARG 325.A O no hydrogen 3.054 N/A ARG 328.A NH2 ALA 323.A O no hydrogen 2.975 N/A LYS 329.A NZ ASN 259.A OD1 no hydrogen 2.782 N/A VAL 330.A N LEU 299.A O no hydrogen 2.966 N/A HIS 332.A N HIS 318.A O no hydrogen 2.874 N/A HIS 332.A ND1 TYR 320.A OH no hydrogen 2.541 N/A ILE 333.A N VAL 297.A O no hydrogen 2.952 N/A THR 334.A N HIS 316.A O no hydrogen 2.936 N/A LEU 335.A N ALA 295.A O no hydrogen 2.937 N/A ARG 336.A N GLY 314.A O no hydrogen 2.774 N/A ARG 336.A NH1 ARG 291.A O no hydrogen 3.221 N/A ARG 336.A NH1 ASP 338.A OD1 no hydrogen 3.480 N/A ARG 336.A NH2 ASP 338.A OD1 no hydrogen 3.568 N/A ARG 337.A N GLN 293.A O no hydrogen 3.021 N/A LEU 343.A N GLY 339.A O no hydrogen 2.891 N/A GLU 344.A N LEU 340.A O no hydrogen 2.811 N/A GLU 345.A N LYS 341.A O no hydrogen 2.924 N/A GLU 345.A N ALA 342.A O no hydrogen 2.938 N/A GLY 346.A N ALA 342.A O no hydrogen 2.940 N/A LEU 347.A N LEU 343.A O no hydrogen 2.931 N/A ARG 349.A N GLU 345.A O no hydrogen 3.401 N/A LEU 350.A N GLY 346.A O no hydrogen 2.964 N/A SER 351.A N LEU 347.A O no hydrogen 2.900 N/A SER 351.A OG LEU 347.A O no hydrogen 3.414 N/A SER 351.A OG ALA 348.A O no hydrogen 2.782 N/A LEU 353.A N LEU 350.A O no hydrogen 2.682 N/A VAL 354.A N LEU 350.A O no hydrogen 3.245 N/A SER 355.A N GLU 302.A OE2 no hydrogen 3.302 N/A SER 355.A OG GLU 302.A OE1 no hydrogen 3.174 N/A SER 355.A OG GLU 302.A OE2 no hydrogen 3.261 N/A TRP 359.A N LEU 357.A O no hydrogen 2.983 N/A