Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bu7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE GLU 7.A OE2 no hydrogen 3.399 N/A GLU 7.A N THR 3.A O no hydrogen 2.990 N/A TYR 9.A N GLU 5.A O no hydrogen 3.103 N/A TYR 10.A N LEU 6.A O no hydrogen 2.951 N/A ASP 12.A N ALA 8.A O no hydrogen 3.078 N/A LEU 13.A N TYR 9.A O no hydrogen 2.957 N/A ALA 14.A N TYR 10.A O no hydrogen 3.030 N/A LYS 15.A N ASP 11.A O no hydrogen 3.335 N/A ILE 16.A N LEU 13.A O no hydrogen 3.262 N/A GLU 17.A N ALA 14.A O no hydrogen 3.069 N/A THR 18.A N LEU 13.A O no hydrogen 2.826 N/A THR 18.A OG1 LEU 13.A O no hydrogen 2.668 N/A TRP 22.A NE1 TYR 10.A OH no hydrogen 2.948 N/A THR 23.A N ALA 20.A O no hydrogen 3.109 N/A ILE 28.A N ALA 25.A O no hydrogen 3.231 N/A ALA 38.A N ASN 72.A OD1 no hydrogen 3.226 N/A TRP 42.A N ILE 303.A O no hydrogen 2.577 N/A TRP 44.A N ASP 302.A OD1 no hydrogen 2.663 N/A LEU 47.A N LYS 43.A O no hydrogen 2.978 N/A ARG 48.A N TRP 44.A O no hydrogen 2.834 N/A ARG 48.A NH1 GLU 113.A OE1 no hydrogen 2.866 N/A ARG 49.A N SER 45.A O no hydrogen 3.361 N/A ARG 49.A NE GLU 50.A OE2 no hydrogen 3.436 N/A ARG 49.A NH2 ASP 46.A OD2 no hydrogen 2.788 N/A ARG 49.A NH2 GLU 50.A OE2 no hydrogen 3.313 N/A GLU 50.A N ASP 46.A O no hydrogen 2.900 N/A VAL 51.A N LEU 47.A O no hydrogen 2.952 N/A LEU 52.A N ARG 48.A O no hydrogen 3.249 N/A ARG 53.A N ARG 49.A O no hydrogen 2.990 N/A ARG 53.A NH1 GLU 50.A OE1 no hydrogen 2.758 N/A ARG 53.A NH1 GLU 50.A OE2 no hydrogen 3.425 N/A ALA 54.A N VAL 51.A O no hydrogen 3.131 N/A ILE 55.A N LEU 52.A O no hydrogen 3.370 N/A LEU 57.A N ALA 54.A O no hydrogen 3.284 N/A ARG 66.A NH2 THR 91.A O no hydrogen 2.838 N/A VAL 67.A N ARG 65.A O no hydrogen 2.795 N/A VAL 68.A N ILE 89.A O no hydrogen 2.997 N/A LEU 70.A N SER 87.A O no hydrogen 2.788 N/A ASN 72.A N ALA 80.A O no hydrogen 3.004 N/A ASN 72.A ND2 ALA 38.A O no hydrogen 2.664 N/A ASN 72.A ND2 ALA 81.A O no hydrogen 3.052 N/A GLN 74.A N ASN 72.A OD1 no hydrogen 3.056 N/A ARG 75.A N ASN 72.A O no hydrogen 2.918 N/A ARG 75.A NH1 GLY 83.A O no hydrogen 2.631 N/A LYS 76.A NZ PRO 73.A O no hydrogen 3.560 N/A SER 79.A N LYS 76.A O no hydrogen 3.239 N/A ALA 80.A N ARG 75.A O no hydrogen 3.411 N/A ALA 81.A N LEU 85.A O no hydrogen 2.728 N/A GLY 83.A N SER 37.A OG no hydrogen 2.760 N/A LEU 85.A N CYS 82.A O no hydrogen 2.758 N/A PHE 86.A N LEU 159.A O no hydrogen 2.739 N/A SER 87.A OG ASP 157.A O no hydrogen 2.946 N/A GLY 88.A N ASP 157.A O no hydrogen 3.010 N/A ILE 89.A N VAL 68.A O no hydrogen 2.886 N/A GLN 90.A N TRP 155.A O no hydrogen 3.124 N/A GLN 90.A NE2 ASP 157.A OD2 no hydrogen 3.370 N/A THR 91.A OG1 CYS 153.A O no hydrogen 2.885 N/A MET 92.A N CYS 153.A O no hydrogen 3.193 N/A LYS 93.A N GLU 96.A OE1 no hydrogen 2.789 N/A LYS 93.A NZ GLU 152.A OE2 no hydrogen 3.540 N/A GLY 95.A N ILE 146.A O no hydrogen 2.960 N/A GLU 96.A N LYS 93.A O no hydrogen 3.208 N/A ALA 98.A N HIS 144.A O no hydrogen 3.202 N/A ALA 100.A N ASP 178.A O no hydrogen 2.776 N/A HIS 101.A N HIS 142.A O no hydrogen 3.158 N/A ARG 102.A N GLU 173.A O no hydrogen 3.054 N/A ARG 102.A NE GLU 173.A OE2 no hydrogen 2.976 N/A ARG 102.A NH2 GLU 173.A OE2 no hydrogen 2.713 N/A HIS 103.A ND1 ALA 105.A O no hydrogen 2.659 N/A ALA 104.A N PHE 171.A O no hydrogen 3.162 N/A SER 106.A N ASP 160.A OD1 no hydrogen 2.703 N/A ALA 107.A N THR 136.A O no hydrogen 3.211 N/A LEU 108.A N GLY 158.A O no hydrogen 2.805 N/A ARG 109.A N VAL 134.A O no hydrogen 3.041 N/A PHE 110.A N GLN 156.A O no hydrogen 2.809 N/A ILE 111.A N ASP 132.A O no hydrogen 2.992 N/A MET 112.A N ILE 154.A O no hydrogen 3.006 N/A GLU 113.A N ILE 154.A O no hydrogen 3.065 N/A SER 115.A N THR 151.A OG1 no hydrogen 2.933 N/A TYR 118.A N GLY 145.A O no hydrogen 2.809 N/A THR 119.A N VAL 126.A O no hydrogen 3.002 N/A THR 119.A OG1 HIS 144.A ND1 no hydrogen 3.256 N/A ILE 120.A N GLU 143.A O no hydrogen 3.033 N/A VAL 121.A N HIS 124.A O no hydrogen 2.928 N/A ASP 122.A N TRP 141.A O no hydrogen 2.738 N/A GLY 123.A N GLN 180.A OE1 no hydrogen 2.879 N/A HIS 124.A N VAL 121.A O no hydrogen 2.907 N/A HIS 124.A ND1 VAL 121.A O no hydrogen 3.120 N/A VAL 126.A N THR 119.A O no hydrogen 2.954 N/A GLU 127.A N ASN 187.A OD1 no hydrogen 2.795 N/A LEU 128.A N ALA 117.A O no hydrogen 2.817 N/A GLY 129.A N ASP 132.A OD2 no hydrogen 2.973 N/A ASN 131.A N ILE 111.A O no hydrogen 2.703 N/A ASN 131.A ND2 ALA 283.A O no hydrogen 2.750 N/A ASP 132.A N GLY 129.A O no hydrogen 3.134 N/A PHE 133.A N TYR 215.A O no hydrogen 3.345 N/A VAL 134.A N ARG 109.A O no hydrogen 3.056 N/A LEU 135.A N LEU 213.A O no hydrogen 2.764 N/A THR 136.A N ALA 107.A O no hydrogen 2.886 N/A THR 136.A OG1 ALA 107.A O no hydrogen 3.351 N/A THR 136.A OG1 THR 136.A O no hydrogen 2.657 N/A ASN 138.A N SER 106.A OG no hydrogen 3.035 N/A GLY 139.A N HIS 103.A O no hydrogen 2.807 N/A THR 140.A N PRO 137.A O no hydrogen 3.217 N/A THR 140.A OG1 PRO 137.A O no hydrogen 2.638 N/A TRP 141.A N ASP 122.A OD1 no hydrogen 2.953 N/A HIS 142.A N HIS 101.A O no hydrogen 3.059 N/A HIS 142.A ND1 THR 140.A O no hydrogen 3.138 N/A GLU 143.A N ILE 120.A O no hydrogen 3.133 N/A HIS 144.A ND1 THR 119.A OG1 no hydrogen 3.256 N/A GLY 145.A N TYR 118.A O no hydrogen 3.135 N/A ILE 146.A N GLU 96.A O no hydrogen 3.269 N/A LEU 147.A N GLY 116.A O no hydrogen 2.599 N/A GLY 150.A N LEU 147.A O no hydrogen 3.087 N/A THR 151.A N SER 115.A O no hydrogen 2.817 N/A CYS 153.A N MET 92.A O no hydrogen 2.956 N/A CYS 153.A SG SER 115.A O no hydrogen 3.219 N/A CYS 153.A SG THR 151.A O no hydrogen 3.486 N/A ILE 154.A N GLU 113.A O no hydrogen 3.107 N/A TRP 155.A N GLN 90.A O no hydrogen 3.102 N/A TRP 155.A NE1 ASP 157.A OD2 no hydrogen 3.239 N/A GLN 156.A N PHE 110.A O no hydrogen 2.890 N/A GLN 156.A NE2 SER 87.A OG no hydrogen 2.815 N/A ASP 157.A N GLY 88.A O no hydrogen 2.712 N/A GLY 158.A N LEU 108.A O no hydrogen 2.820 N/A LEU 159.A N PHE 86.A O no hydrogen 2.794 N/A ASP 160.A N SER 106.A O no hydrogen 3.269 N/A LEU 163.A N TRP 84.A O no hydrogen 3.344 N/A THR 164.A N ASP 160.A O no hydrogen 2.816 N/A THR 164.A OG1 ASP 160.A O no hydrogen 2.931 N/A THR 164.A OG1 ASP 160.A OD1 no hydrogen 3.397 N/A ASN 165.A N ILE 161.A O no hydrogen 2.783 N/A CYS 166.A N PRO 162.A O no hydrogen 2.928 N/A CYS 166.A SG LEU 163.A O no hydrogen 4.016 N/A LEU 167.A N LEU 163.A O no hydrogen 3.114 N/A GLU 168.A N ASN 165.A O no hydrogen 2.844 N/A ALA 169.A N THR 164.A O no hydrogen 2.985 N/A TYR 172.A OH HIS 101.A ND1 no hydrogen 2.812 N/A GLU 173.A N ARG 102.A O no hydrogen 3.197 N/A HIS 175.A N ALA 100.A O no hydrogen 2.929 N/A ASN 177.A N HIS 175.A ND1 no hydrogen 3.254 N/A ASP 178.A N HIS 175.A O no hydrogen 2.927 N/A TYR 179.A N ASN 177.A O no hydrogen 2.594 N/A GLN 180.A N GLU 143.A OE1 no hydrogen 3.058 N/A GLN 180.A NE2 ILE 120.A O no hydrogen 3.043 N/A GLN 180.A NE2 TRP 141.A O no hydrogen 3.061 N/A GLN 180.A NE2 GLU 143.A OE1 no hydrogen 3.213 N/A THR 182.A OG1 GLY 123.A O no hydrogen 2.717 N/A ILE 184.A N THR 182.A OG1 no hydrogen 3.166 N/A ASN 187.A N LYS 125.A O no hydrogen 2.906 N/A ASP 188.A N PRO 185.A O no hydrogen 3.264 N/A SER 189.A OG PRO 211.A O no hydrogen 2.440 N/A LEU 191.A N ASN 187.A O no hydrogen 3.080 N/A THR 192.A N ASP 188.A O no hydrogen 2.901 N/A THR 192.A N SER 189.A O no hydrogen 3.191 N/A TYR 193.A N SER 189.A O no hydrogen 2.868 N/A TYR 193.A OH ASP 203.A OD1 no hydrogen 2.722 N/A SER 210.A N PRO 252.A O no hydrogen 2.903 N/A SER 210.A OG LEU 212.A O no hydrogen 2.724 N/A SER 210.A OG TYR 215.A OH no hydrogen 2.834 N/A LEU 212.A N SER 210.A OG no hydrogen 3.086 N/A LEU 213.A N SER 189.A OG no hydrogen 3.204 N/A LYS 214.A NZ GLU 127.A O no hydrogen 2.792 N/A TYR 215.A N PHE 133.A O no hydrogen 3.033 N/A TYR 215.A OH LEU 212.A O no hydrogen 3.177 N/A TYR 215.A OH THR 244.A O no hydrogen 2.767 N/A TRP 217.A N ASP 132.A OD1 no hydrogen 2.718 N/A THR 220.A N SER 216.A O no hydrogen 3.437 N/A THR 220.A OG1 SER 216.A O no hydrogen 2.631 N/A TYR 221.A N TRP 217.A O no hydrogen 2.820 N/A TYR 221.A OH ASP 322.A OD1 no hydrogen 3.175 N/A TYR 221.A OH ASP 322.A OD2 no hydrogen 2.949 N/A GLU 222.A N GLU 218.A O no hydrogen 2.878 N/A ALA 223.A N PRO 219.A O no hydrogen 2.877 N/A LEU 224.A N THR 220.A O no hydrogen 3.067 N/A LEU 225.A N TYR 221.A O no hydrogen 3.074 N/A ASN 226.A N GLU 222.A O no hydrogen 3.192 N/A TYR 227.A N ALA 223.A O no hydrogen 2.906 N/A ALA 228.A N LEU 224.A O no hydrogen 2.941 N/A LYS 229.A N ASN 226.A O no hydrogen 3.154 N/A ALA 230.A N TYR 227.A O no hydrogen 3.342 N/A SER 231.A N TYR 227.A O no hydrogen 3.160 N/A GLY 233.A N SER 231.A OG no hydrogen 2.989 N/A SER 234.A N GLY 238.A O no hydrogen 2.869 N/A TYR 236.A N SER 234.A OG no hydrogen 3.231 N/A GLY 238.A N SER 234.A O no hydrogen 2.863 N/A LEU 239.A N MET 262.A O no hydrogen 3.230 N/A LEU 241.A N MET 260.A O no hydrogen 2.875 N/A TYR 243.A N ALA 258.A O no hydrogen 2.944 N/A ASN 245.A N GLY 250.A O no hydrogen 2.666 N/A GLN 247.A N ASN 245.A OD1 no hydrogen 2.864 N/A GLN 247.A NE2 TRP 205.A O no hydrogen 3.253 N/A THR 248.A N ASN 245.A O no hydrogen 3.064 N/A GLY 249.A N ASN 245.A O no hydrogen 2.666 N/A THR 255.A OG1 ASP 160.A OD2 no hydrogen 2.653 N/A GLY 257.A N ASN 329.A O no hydrogen 3.218 N/A SER 259.A N SER 327.A O no hydrogen 2.677 N/A MET 260.A N LEU 241.A O no hydrogen 2.731 N/A GLN 261.A N LEU 325.A O no hydrogen 3.020 N/A GLN 261.A NE2 ASP 237.A O no hydrogen 2.962 N/A GLN 261.A NE2 ASP 237.A OD1 no hydrogen 3.014 N/A MET 262.A N LEU 239.A O no hydrogen 2.793 N/A LEU 263.A N ALA 323.A O no hydrogen 2.697 N/A ARG 264.A N GLU 267.A OE1 no hydrogen 2.739 N/A ARG 264.A NH1 SER 231.A O no hydrogen 3.370 N/A ARG 264.A NH2 SER 231.A O no hydrogen 3.515 N/A GLY 266.A N GLN 318.A O no hydrogen 3.141 N/A GLU 267.A N ARG 264.A O no hydrogen 2.842 N/A HIS 268.A NE2 GLU 313.A OE1 no hydrogen 2.798 N/A THR 269.A N HIS 314.A O no hydrogen 2.864 N/A THR 269.A OG1 TYR 236.A O no hydrogen 3.428 N/A THR 269.A OG1 LYS 270.A O no hydrogen 3.310 N/A THR 269.A OG1 HIS 314.A O no hydrogen 3.210 N/A LYS 270.A N PRO 235.A O no hydrogen 2.800 N/A ALA 271.A N GLY 350.A O no hydrogen 2.811 N/A HIS 272.A N HIS 312.A O no hydrogen 3.383 N/A HIS 272.A ND1 GLU 342.A OE2 no hydrogen 2.873 N/A ARG 273.A N GLN 343.A O no hydrogen 2.999 N/A THR 275.A N ALA 341.A O no hydrogen 3.269 N/A THR 275.A OG1 PHE 339.A O no hydrogen 2.842 N/A ASN 277.A N ASP 330.A OD2 no hydrogen 2.771 N/A ASN 277.A ND2 ASP 330.A OD1 no hydrogen 3.101 N/A VAL 278.A N VAL 306.A O no hydrogen 3.072 N/A ILE 279.A N PHE 328.A O no hydrogen 3.097 N/A TYR 280.A N PHE 304.A O no hydrogen 2.808 N/A ASN 281.A N PHE 326.A O no hydrogen 2.639 N/A ASN 281.A ND2 GLN 156.A OE1 no hydrogen 2.738 N/A VAL 282.A N ASP 302.A O no hydrogen 3.047 N/A LYS 284.A N CYS 324.A O no hydrogen 3.090 N/A GLY 285.A N GLU 300.A OE2 no hydrogen 3.197 N/A GLY 287.A N TRP 298.A O no hydrogen 3.075 N/A TYR 288.A N CYS 315.A O no hydrogen 2.912 N/A SER 289.A N PHE 296.A O no hydrogen 2.908 N/A ILE 290.A N GLU 313.A O no hydrogen 3.141 N/A VAL 291.A N LYS 294.A O no hydrogen 3.018 N/A GLY 292.A N TRP 311.A O no hydrogen 2.878 N/A GLY 293.A N GLN 352.A OE1 no hydrogen 2.887 N/A LYS 294.A N VAL 291.A O no hydrogen 3.337 N/A LYS 294.A NZ ARG 295.A O no hydrogen 3.511 N/A ARG 295.A NE ASP 297.A OD2 no hydrogen 2.677 N/A ARG 295.A NH2 ASP 297.A OD1 no hydrogen 3.116 N/A PHE 296.A N SER 289.A O no hydrogen 2.770 N/A TRP 298.A N GLY 287.A O no hydrogen 2.740 N/A TRP 298.A NE1 SER 289.A OG no hydrogen 2.555 N/A SER 299.A N ASP 302.A OD2 no hydrogen 2.676 N/A HIS 301.A N VAL 282.A O no hydrogen 2.670 N/A ASP 302.A N SER 299.A O no hydrogen 3.039 N/A ILE 303.A N TRP 42.A O no hydrogen 2.953 N/A PHE 304.A N TYR 280.A O no hydrogen 3.106 N/A CYS 305.A N VAL 40.A O no hydrogen 2.799 N/A CYS 305.A SG ALA 81.A O no hydrogen 3.003 N/A VAL 306.A N VAL 278.A O no hydrogen 2.822 N/A ALA 308.A N ASN 277.A OD1 no hydrogen 3.107 N/A TRP 309.A N HIS 274.A O no hydrogen 2.651 N/A THR 310.A OG1 PRO 307.A O no hydrogen 3.273 N/A THR 310.A OG1 ALA 308.A O no hydrogen 3.156 N/A HIS 312.A N HIS 272.A O no hydrogen 2.984 N/A HIS 312.A ND1 THR 310.A O no hydrogen 2.843 N/A GLU 313.A N ILE 290.A O no hydrogen 2.925 N/A HIS 314.A N THR 269.A OG1 no hydrogen 2.797 N/A CYS 315.A N TYR 288.A O no hydrogen 2.884 N/A CYS 315.A SG GLU 267.A O no hydrogen 3.674 N/A ASN 316.A N GLU 267.A O no hydrogen 2.915 N/A ASN 316.A ND2 LEU 263.A O no hydrogen 3.221 N/A ASN 316.A ND2 ARG 264.A O no hydrogen 3.307 N/A ASN 316.A ND2 ASP 321.A O no hydrogen 2.651 N/A THR 317.A OG1 GLN 286.A O no hydrogen 3.446 N/A GLN 318.A N ASN 316.A OD1 no hydrogen 3.188 N/A GLN 318.A NE2 ASN 316.A OD1 no hydrogen 2.879 N/A GLN 318.A NE2 ASP 322.A O no hydrogen 3.145 N/A ALA 323.A N LEU 263.A O no hydrogen 2.894 N/A CYS 324.A N LYS 284.A O no hydrogen 2.767 N/A CYS 324.A SG GLN 261.A O no hydrogen 3.827 N/A LEU 325.A N GLN 261.A O no hydrogen 3.036 N/A PHE 326.A N ASN 281.A O no hydrogen 2.717 N/A SER 327.A N SER 259.A O no hydrogen 2.923 N/A PHE 328.A N ILE 279.A O no hydrogen 3.197 N/A ASN 329.A N GLY 257.A O no hydrogen 2.897 N/A PHE 331.A N ASN 329.A OD1 no hydrogen 3.081 N/A MET 334.A N ASP 330.A O no hydrogen 3.398 N/A GLU 335.A N PHE 331.A O no hydrogen 2.839 N/A LYS 336.A N PRO 332.A O no hydrogen 2.863 N/A LYS 336.A NZ LEU 254.A O no hydrogen 2.784 N/A LEU 337.A N VAL 333.A O no hydrogen 3.259 N/A GLY 338.A N GLU 335.A O no hydrogen 3.331 N/A PHE 339.A N MET 334.A O no hydrogen 2.819 N/A ALA 341.A N THR 275.A OG1 no hydrogen 2.957 N/A GLN 343.A N ARG 273.A O no hydrogen 3.035 N/A LEU 345.A N ALA 271.A O no hydrogen 3.005 N/A GLY 350.A N ASP 347.A O no hydrogen 3.017 N/A HIS 351.A ND1 GLU 313.A OE1 no hydrogen 3.295 N/A GLN 352.A N GLU 313.A OE2 no hydrogen 2.925 N/A GLN 352.A NE2 ILE 290.A O no hydrogen 2.795 N/A GLN 352.A NE2 GLU 313.A OE2 no hydrogen 3.550 N/A