Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vul_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH TYR 20.A O no hydrogen 2.818 N/A SER 6.A OG THR 15.A OG1 no hydrogen 2.965 N/A VAL 7.A N PHE 14.A O no hydrogen 2.776 N/A ILE 9.A N SER 12.A O no hydrogen 2.705 N/A SER 12.A N ILE 9.A O no hydrogen 2.905 N/A THR 13.A OG1 GLU 8.A OE1 no hydrogen 2.769 N/A THR 13.A OG1 GLU 8.A OE2 no hydrogen 3.186 N/A PHE 14.A N VAL 7.A O no hydrogen 2.863 N/A THR 15.A N TYR 99.A OH no hydrogen 3.025 N/A THR 15.A OG1 SER 6.A OG no hydrogen 2.965 N/A VAL 16.A N TYR 5.A O no hydrogen 2.899 N/A LYS 18.A N ASN 3.A O no hydrogen 2.729 N/A LYS 18.A NZ ASP 1.A OD1 no hydrogen 3.530 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.922 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.069 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.566 N/A TYR 20.A N LEU 17.A O no hydrogen 2.659 N/A TYR 20.A OH ASN 84.A OD1 no hydrogen 3.034 N/A GLN 21.A N TYR 38.A O no hydrogen 2.710 N/A LYS 24.A N ALA 36.A O no hydrogen 2.758 N/A ILE 26.A N VAL 34.A O no hydrogen 2.960 N/A GLY 27.A N VAL 34.A O no hydrogen 3.396 N/A SER 28.A OG GLY 32.A O no hydrogen 2.876 N/A VAL 34.A N GLY 27.A O no hydrogen 2.727 N/A CYS 35.A N ILE 48.A O no hydrogen 2.641 N/A CYS 35.A SG LYS 24.A O no hydrogen 3.595 N/A ALA 36.A N LYS 24.A O no hydrogen 2.643 N/A ALA 37.A N VAL 46.A O no hydrogen 2.954 N/A TYR 38.A N GLN 21.A O no hydrogen 2.819 N/A ASP 39.A N ARG 44.A O no hydrogen 2.873 N/A ALA 40.A N ARG 19.A O no hydrogen 2.494 N/A ILE 41.A N ASP 39.A OD1 no hydrogen 2.867 N/A ARG 44.A N ASP 39.A O no hydrogen 3.331 N/A VAL 46.A N ALA 37.A O no hydrogen 2.798 N/A ALA 47.A N MET 102.A O no hydrogen 2.969 N/A ILE 48.A N CYS 35.A O no hydrogen 2.679 N/A LYS 49.A N ILE 100.A O no hydrogen 2.850 N/A LYS 49.A NZ GLN 31.A OE1 no hydrogen 3.528 N/A LYS 49.A NZ GLU 67.A OE1 no hydrogen 3.053 N/A LYS 50.A N ILE 33.A O no hydrogen 3.078 N/A LYS 50.A NZ THR 13.A O no hydrogen 2.736 N/A LEU 51.A N VAL 98.A O no hydrogen 3.029 N/A ARG 53.A N ASP 97.A OD1 no hydrogen 3.293 N/A GLN 56.A N ARG 53.A O no hydrogen 2.967 N/A ASN 57.A ND2 GLN 56.A OE1 no hydrogen 3.629 N/A THR 59.A N ASN 57.A OD1 no hydrogen 2.634 N/A ALA 61.A N ASN 57.A O no hydrogen 3.033 N/A LYS 62.A N GLN 58.A O no hydrogen 3.200 N/A ARG 63.A N THR 59.A O no hydrogen 3.225 N/A ALA 64.A N HIS 60.A O no hydrogen 2.871 N/A TYR 65.A N ALA 61.A O no hydrogen 2.893 N/A ARG 66.A N LYS 62.A O no hydrogen 3.060 N/A GLU 67.A N ARG 63.A O no hydrogen 2.817 N/A LEU 68.A N ALA 64.A O no hydrogen 2.893 N/A VAL 69.A N TYR 65.A O no hydrogen 3.018 N/A LEU 70.A N ARG 66.A O no hydrogen 2.917 N/A MET 71.A N GLU 67.A O no hydrogen 2.804 N/A LYS 72.A N LEU 68.A O no hydrogen 3.100 N/A VAL 73.A N VAL 69.A O no hydrogen 2.908 N/A VAL 74.A N LEU 70.A O no hydrogen 2.923 N/A HIS 76.A NE2 ASN 78.A OD1 no hydrogen 3.292 N/A LYS 77.A NZ GLU 309.A OE2 no hydrogen 2.690 N/A ASN 78.A ND2 GLN 128.A OE1 no hydrogen 3.423 N/A ASN 78.A ND2 LEU 159.A O no hydrogen 2.673 N/A ILE 79.A N HIS 76.A O no hydrogen 3.031 N/A ILE 80.A N ILE 161.A O no hydrogen 2.889 N/A LEU 83.A N VAL 101.A O no hydrogen 2.875 N/A ASN 84.A N VAL 101.A O no hydrogen 3.340 N/A PHE 86.A N TYR 99.A O no hydrogen 2.950 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.596 N/A GLN 89.A N THR 87.A OG1 no hydrogen 3.394 N/A LYS 90.A N GLU 94.A OE2 no hydrogen 3.028 N/A SER 91.A OG GLU 94.A OE1 no hydrogen 3.342 N/A GLU 94.A N SER 91.A OG no hydrogen 3.025 N/A PHE 95.A N SER 91.A O no hydrogen 2.508 N/A GLN 96.A N GLN 89.A OE1 no hydrogen 2.780 N/A ASP 97.A N GLN 89.A OE1 no hydrogen 2.893 N/A VAL 98.A N LEU 51.A O no hydrogen 3.200 N/A TYR 99.A N PHE 86.A O no hydrogen 2.703 N/A ILE 100.A N LYS 49.A O no hydrogen 2.945 N/A VAL 101.A N ASN 84.A O no hydrogen 2.698 N/A MET 102.A N ALA 47.A O no hydrogen 2.845 N/A GLU 103.A N GLY 81.A O no hydrogen 2.978 N/A ASP 106.A N VAL 153.A O no hydrogen 3.212 N/A ALA 107.A N VAL 153.A O no hydrogen 3.136 N/A ASN 108.A ND2 PRO 148.A O no hydrogen 2.913 N/A LEU 109.A N PRO 148.A O no hydrogen 3.263 N/A LEU 109.A N ILE 151.A O no hydrogen 2.964 N/A SER 110.A OG ASN 108.A OD1 no hydrogen 2.500 N/A VAL 112.A N LEU 109.A O no hydrogen 2.686 N/A ILE 113.A N LEU 109.A O no hydrogen 3.158 N/A MET 115.A N VAL 112.A O no hydrogen 2.918 N/A HIS 119.A ND1 TYR 300.A OH no hydrogen 2.649 N/A ARG 121.A N ASP 118.A OD2 no hydrogen 2.767 N/A MET 122.A N ASP 118.A O no hydrogen 3.295 N/A SER 123.A N HIS 119.A O no hydrogen 2.949 N/A SER 123.A OG TYR 300.A O no hydrogen 2.783 N/A TYR 124.A N GLU 120.A O no hydrogen 2.996 N/A LEU 125.A N ARG 121.A O no hydrogen 2.765 N/A LEU 126.A N MET 122.A O no hydrogen 3.037 N/A TYR 127.A N SER 123.A O no hydrogen 2.680 N/A TYR 127.A OH GLU 309.A OE1 no hydrogen 2.459 N/A GLN 128.A N TYR 124.A O no hydrogen 2.811 N/A GLN 128.A NE2 TYR 124.A O no hydrogen 3.179 N/A GLN 128.A NE2 ALA 157.A O no hydrogen 3.040 N/A MET 129.A N LEU 125.A O no hydrogen 2.904 N/A LEU 130.A N LEU 126.A O no hydrogen 2.983 N/A VAL 131.A N TYR 127.A O no hydrogen 2.840 N/A GLY 132.A N GLN 128.A O no hydrogen 3.031 N/A ILE 133.A N MET 129.A O no hydrogen 2.704 N/A LYS 134.A N LEU 130.A O no hydrogen 2.763 N/A LYS 134.A NZ ALA 310.A O no hydrogen 2.604 N/A HIS 135.A N VAL 131.A O no hydrogen 3.022 N/A LEU 136.A N GLY 132.A O no hydrogen 3.164 N/A HIS 137.A N ILE 133.A O no hydrogen 2.952 N/A HIS 137.A NE2 ASP 187.A OD2 no hydrogen 2.673 N/A SER 138.A N LYS 134.A O no hydrogen 2.865 N/A SER 138.A N HIS 135.A O no hydrogen 2.946 N/A SER 138.A OG HIS 135.A O no hydrogen 2.876 N/A ALA 139.A N LEU 136.A O no hydrogen 3.185 N/A GLY 140.A N HIS 137.A O no hydrogen 2.570 N/A ILE 141.A N LEU 136.A O no hydrogen 2.997 N/A HIS 143.A N ASP 187.A OD2 no hydrogen 2.901 N/A ARG 144.A N ASP 187.A OD1 no hydrogen 2.831 N/A ARG 144.A NH1 ILE 142.A O no hydrogen 3.568 N/A ARG 144.A NH1 LEU 166.A O no hydrogen 2.464 N/A ARG 144.A NH2 LEU 166.A O no hydrogen 2.537 N/A LYS 147.A NZ ASP 145.A OD1 no hydrogen 3.360 N/A LYS 147.A NZ ASP 145.A OD2 no hydrogen 3.523 N/A ASN 150.A N LYS 147.A O no hydrogen 3.110 N/A ILE 151.A N PRO 148.A O no hydrogen 3.167 N/A VAL 152.A N LYS 160.A O no hydrogen 2.992 N/A VAL 153.A N ALA 107.A O no hydrogen 2.604 N/A LYS 154.A N THR 158.A O no hydrogen 2.944 N/A SER 155.A N ASP 106.A OD2 no hydrogen 2.937 N/A SER 155.A OG ASP 106.A OD2 no hydrogen 3.132 N/A ALA 157.A N LYS 154.A O no hydrogen 2.879 N/A THR 158.A N ASP 156.A OD1 no hydrogen 3.115 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.696 N/A LYS 160.A N VAL 152.A O no hydrogen 2.882 N/A LYS 160.A NZ LYS 77.A O no hydrogen 3.140 N/A LYS 160.A NZ GLU 103.A OE2 no hydrogen 2.858 N/A ILE 161.A N ASN 78.A O no hydrogen 2.766 N/A LEU 162.A N ASN 150.A O no hydrogen 3.239 N/A ARG 168.A N ILE 142.A O no hydrogen 2.680 N/A TYR 170.A OH GLU 197.A OE2 no hydrogen 2.456 N/A TYR 171.A OH GLU 197.A OE1 no hydrogen 2.308 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.854 N/A VAL 176.A N ALA 173.A O no hydrogen 2.901 N/A ILE 177.A N ALA 173.A O no hydrogen 3.142 N/A LEU 178.A N PRO 174.A O no hydrogen 2.846 N/A MET 180.A N GLU 175.A O no hydrogen 2.887 N/A ASN 185.A ND2 ALA 286.A O no hydrogen 3.004 N/A ASN 185.A ND2 ARG 289.A O no hydrogen 3.113 N/A VAL 186.A N LYS 183.A O no hydrogen 3.124 N/A ASP 187.A N GLU 184.A O no hydrogen 3.050 N/A ILE 188.A N ASN 185.A O no hydrogen 2.771 N/A TRP 189.A N ASN 185.A O no hydrogen 3.448 N/A SER 190.A OG LEU 146.A O no hydrogen 3.206 N/A SER 190.A OG TYR 171.A O no hydrogen 2.750 N/A VAL 191.A N ASP 187.A O no hydrogen 3.330 N/A GLY 192.A N ILE 188.A O no hydrogen 2.906 N/A VAL 193.A N TRP 189.A O no hydrogen 2.865 N/A ILE 194.A N SER 190.A O no hydrogen 3.017 N/A MET 195.A N VAL 191.A O no hydrogen 2.660 N/A GLY 196.A N GLY 192.A O no hydrogen 2.854 N/A GLU 197.A N VAL 193.A O no hydrogen 2.641 N/A MET 198.A N ILE 194.A O no hydrogen 2.647 N/A ILE 199.A N MET 195.A O no hydrogen 2.774 N/A LYS 200.A N GLY 196.A O no hydrogen 3.015 N/A LYS 200.A NZ LEU 254.A O no hydrogen 2.880 N/A GLY 201.A N GLU 197.A O no hydrogen 2.907 N/A LEU 204.A N TYR 170.A OH no hydrogen 3.514 N/A LEU 204.A N GLU 197.A OE2 no hydrogen 2.887 N/A THR 208.A N ASP 212.A OD2 no hydrogen 3.097 N/A THR 208.A OG1 ASP 209.A OD2 no hydrogen 2.863 N/A THR 208.A OG1 ASP 212.A OD2 no hydrogen 3.141 N/A ILE 211.A N ASP 209.A OD1 no hydrogen 3.323 N/A ASP 212.A N ASP 209.A O no hydrogen 3.191 N/A GLN 213.A N ASP 209.A O no hydrogen 3.191 N/A GLN 213.A NE2 ARG 169.A O no hydrogen 3.489 N/A VAL 217.A N GLN 213.A O no hydrogen 2.763 N/A ILE 218.A N TRP 214.A O no hydrogen 2.693 N/A GLU 219.A N ASN 215.A O no hydrogen 2.560 N/A GLN 220.A N VAL 217.A O no hydrogen 3.118 N/A LEU 221.A N VAL 217.A O no hydrogen 2.844 N/A GLY 222.A N ILE 218.A O no hydrogen 2.641 N/A THR 223.A N TYR 246.A O no hydrogen 2.826 N/A SER 225.A OG GLU 227.A OE1 no hydrogen 3.236 N/A PHE 228.A N SER 225.A O no hydrogen 3.055 N/A MET 229.A N SER 225.A O no hydrogen 3.207 N/A MET 229.A N PRO 226.A O no hydrogen 2.498 N/A LYS 230.A N PRO 226.A O no hydrogen 3.452 N/A LEU 232.A N MET 229.A O no hydrogen 2.884 N/A THR 235.A OG1 GLN 233.A OE1 no hydrogen 3.150 N/A VAL 236.A N GLN 233.A O no hydrogen 2.732 N/A ARG 237.A N GLN 233.A O no hydrogen 2.579 N/A THR 238.A N PRO 234.A O no hydrogen 3.425 N/A THR 238.A OG1 PRO 234.A O no hydrogen 2.811 N/A THR 238.A OG1 THR 235.A O no hydrogen 3.020 N/A VAL 240.A N VAL 236.A O no hydrogen 2.934 N/A GLU 241.A N ARG 237.A O no hydrogen 2.650 N/A ASN 242.A N TYR 239.A O no hydrogen 3.110 N/A ARG 243.A N TYR 239.A O no hydrogen 3.217 N/A TYR 246.A N THR 223.A OG1 no hydrogen 2.815 N/A TYR 249.A N GLN 220.A O no hydrogen 3.081 N/A LYS 253.A N SER 250.A OG no hydrogen 2.953 N/A LEU 254.A N SER 250.A O no hydrogen 2.794 N/A PHE 255.A N PHE 251.A O no hydrogen 2.567 N/A LEU 259.A N PRO 256.A O no hydrogen 2.835 N/A PHE 260.A N ASP 257.A O no hydrogen 2.726 N/A SER 264.A N LEU 269.A O no hydrogen 3.265 N/A SER 264.A OG HIS 266.A O no hydrogen 3.439 N/A SER 264.A OG LEU 269.A O no hydrogen 3.497 N/A HIS 266.A N SER 264.A OG no hydrogen 3.080 N/A LYS 268.A N HIS 266.A ND1 no hydrogen 3.023 N/A LEU 269.A N HIS 266.A O no hydrogen 3.297 N/A ALA 271.A N ASP 263.A OD1 no hydrogen 3.090 N/A GLN 273.A N LYS 270.A O no hydrogen 3.233 N/A ALA 274.A N LYS 270.A O no hydrogen 3.021 N/A ARG 275.A N ALA 271.A O no hydrogen 2.900 N/A ARG 275.A NE PHE 255.A O no hydrogen 2.617 N/A ARG 275.A NH2 PHE 255.A O no hydrogen 2.927 N/A ARG 275.A NH2 ASP 257.A OD1 no hydrogen 2.893 N/A ASP 276.A N SER 272.A O no hydrogen 2.983 N/A LEU 277.A N GLN 273.A O no hydrogen 2.781 N/A LEU 278.A N ALA 274.A O no hydrogen 2.873 N/A SER 279.A N ARG 275.A O no hydrogen 2.861 N/A SER 279.A OG ARG 275.A O no hydrogen 3.455 N/A SER 279.A OG ASP 276.A O no hydrogen 2.810 N/A LYS 280.A N ASP 276.A O no hydrogen 3.131 N/A LYS 280.A N LEU 277.A O no hydrogen 2.826 N/A LYS 280.A NZ ASP 276.A OD2 no hydrogen 2.568 N/A MET 281.A N LEU 278.A O no hydrogen 2.908 N/A LEU 282.A N LEU 278.A O no hydrogen 2.808 N/A SER 287.A N ASP 285.A OD1 no hydrogen 2.899 N/A SER 287.A OG ASP 285.A OD1 no hydrogen 2.824 N/A LYS 288.A N ASP 285.A O no hydrogen 2.942 N/A ARG 289.A N ALA 286.A O no hydrogen 2.937 N/A ARG 289.A NE VAL 283.A O no hydrogen 2.756 N/A ARG 289.A NH1 GLU 175.A OE1 no hydrogen 3.205 N/A ARG 289.A NH1 GLU 175.A OE2 no hydrogen 2.812 N/A ARG 289.A NH1 ASN 185.A O no hydrogen 3.363 N/A ARG 289.A NH2 GLU 175.A OE1 no hydrogen 3.334 N/A ARG 289.A NH2 VAL 283.A O no hydrogen 2.629 N/A ILE 290.A N LYS 280.A O no hydrogen 3.149 N/A SER 291.A N GLU 294.A OE1 no hydrogen 2.473 N/A ALA 295.A N SER 291.A O no hydrogen 3.014 N/A LEU 296.A N VAL 292.A O no hydrogen 2.800 N/A GLN 297.A N ASP 293.A O no hydrogen 2.758 N/A GLN 297.A N GLU 294.A O no hydrogen 2.917 N/A HIS 298.A N ALA 295.A O no hydrogen 3.212 N/A TYR 300.A OH HIS 119.A ND1 no hydrogen 2.649 N/A ILE 301.A N HIS 298.A O no hydrogen 2.626 N/A ASN 302.A N HIS 298.A O no hydrogen 2.801 N/A TRP 304.A N ILE 301.A O no hydrogen 3.299 N/A TRP 304.A NE1 SER 123.A OG no hydrogen 2.795 N/A TYR 305.A N ASN 302.A O no hydrogen 2.747 N/A TYR 305.A OH GLU 311.A OE1 no hydrogen 2.568 N/A SER 308.A N ASP 306.A OD1 no hydrogen 3.081 N/A SER 308.A OG ASP 306.A OD1 no hydrogen 2.549 N/A GLU 309.A N ASP 306.A O no hydrogen 2.572 N/A ALA 310.A N ASP 306.A O no hydrogen 2.762 N/A GLU 311.A N PRO 307.A O no hydrogen 2.662 N/A LYS 320.A N PRO 318.A O no hydrogen 2.305 N/A LYS 320.A NZ TYR 65.A OH no hydrogen 3.365 N/A GLU 324.A N GLU 324.A OE2 no hydrogen 2.694 N/A ARG 325.A NH2 LYS 320.A O no hydrogen 3.136 N/A THR 328.A N GLU 331.A OE1 no hydrogen 2.648 N/A TRP 332.A N THR 328.A O no hydrogen 3.300 N/A LYS 333.A N ILE 329.A O no hydrogen 3.139 N/A LYS 333.A NZ LEU 92.A O no hydrogen 2.753 N/A LYS 333.A NZ PHE 95.A O no hydrogen 3.448 N/A GLU 334.A N GLU 330.A O no hydrogen 3.097 N/A LEU 335.A N GLU 331.A O no hydrogen 2.828 N/A ILE 336.A N TRP 332.A O no hydrogen 2.844 N/A TYR 337.A N LYS 333.A O no hydrogen 2.808 N/A LYS 338.A N GLU 334.A O no hydrogen 2.707 N/A GLU 339.A N LEU 335.A O no hydrogen 2.774 N/A VAL 340.A N ILE 336.A O no hydrogen 2.647 N/A MET 341.A N TYR 337.A O no hydrogen 2.814 N/A ASP 342.A N LYS 338.A O no hydrogen 2.795 N/A LEU 343.A N VAL 340.A O no hydrogen 2.965 N/A GLU 344.A N MET 341.A O no hydrogen 3.230 N/A