Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3inh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N PHE 2.A O no hydrogen 2.814 N/A VAL 6.A N VAL 3.A O no hydrogen 3.391 N/A ASP 7.A N SER 166.A OG no hydrogen 2.805 N/A ASN 8.A N MET 5.A O no hydrogen 3.303 N/A ASN 8.A ND2 HIS 89.A O no hydrogen 3.078 N/A ASN 8.A ND2 MET 167.A O no hydrogen 2.987 N/A LEU 9.A N GLY 165.A O no hydrogen 2.995 N/A ARG 10.A N TYR 18.A O no hydrogen 3.064 N/A ARG 10.A NH1 ASP 7.A OD1 no hydrogen 2.766 N/A ARG 10.A NH1 ASP 7.A OD2 no hydrogen 3.260 N/A ARG 10.A NH1 LEU 9.A O no hydrogen 2.933 N/A ARG 10.A NH2 ASP 7.A OD2 no hydrogen 2.748 N/A GLY 11.A N VAL 163.A O no hydrogen 3.185 N/A LYS 12.A NZ LEU 160.A O no hydrogen 3.350 N/A LYS 12.A NZ SER 162.A OG no hydrogen 3.140 N/A SER 13.A N ALA 161.A O no hydrogen 2.820 N/A SER 13.A OG PRO 301.A O no hydrogen 3.157 N/A GLN 15.A N LYS 12.A O no hydrogen 2.802 N/A GLN 15.A NE2 ASN 111.A O no hydrogen 3.528 N/A TYR 17.A OH GLU 322.A OE2 no hydrogen 2.733 N/A TYR 18.A N ARG 10.A O no hydrogen 2.710 N/A VAL 19.A N ILE 32.A O no hydrogen 2.827 N/A MET 21.A N LEU 30.A O no hydrogen 2.885 N/A THR 22.A N SER 86.A O no hydrogen 2.905 N/A VAL 23.A N GLN 28.A O no hydrogen 2.967 N/A GLY 24.A N LEU 84.A O no hydrogen 2.863 N/A SER 25.A N SER 60.A OG no hydrogen 3.221 N/A SER 25.A OG THR 62.A OG1 no hydrogen 2.931 N/A GLN 28.A N VAL 23.A O no hydrogen 2.915 N/A GLN 28.A NE2 GLN 56.A O no hydrogen 2.908 N/A LEU 30.A N MET 21.A O no hydrogen 2.919 N/A ASN 31.A N GLU 116.A OE1 no hydrogen 3.023 N/A ASN 31.A ND2 ASN 114.A O no hydrogen 2.993 N/A ILE 32.A N VAL 19.A O no hydrogen 2.878 N/A LEU 33.A N GLY 117.A O no hydrogen 2.813 N/A VAL 34.A N TYR 17.A O no hydrogen 2.856 N/A ASP 35.A N LEU 119.A O no hydrogen 3.097 N/A THR 36.A N SER 222.A OG no hydrogen 2.978 N/A THR 36.A OG1 VAL 220.A O no hydrogen 2.904 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 2.900 N/A SER 38.A OG ASP 35.A OD2 no hydrogen 2.711 N/A SER 39.A OG TYR 123.A O no hydrogen 2.669 N/A ASN 40.A ND2 ARG 128.A O no hydrogen 2.829 N/A ALA 42.A N ILE 118.A O no hydrogen 3.058 N/A VAL 43.A N ALA 100.A O no hydrogen 2.936 N/A GLY 44.A N GLU 116.A O no hydrogen 2.857 N/A ALA 45.A N ILE 102.A O no hydrogen 2.835 N/A PHE 50.A N HIS 48.A ND1 no hydrogen 2.969 N/A LEU 51.A N HIS 48.A O no hydrogen 2.811 N/A ARG 53.A NE GLU 116.A OE1 no hydrogen 3.350 N/A ARG 53.A NH2 GLU 116.A OE1 no hydrogen 3.308 N/A TYR 55.A N GLY 44.A O no hydrogen 2.746 N/A TYR 55.A OH ASP 83.A OD2 no hydrogen 2.561 N/A GLN 56.A N GLN 28.A OE1 no hydrogen 2.879 N/A ARG 57.A NH1 GLU 79.A OE1 no hydrogen 3.296 N/A GLN 58.A N GLN 58.A OE1 no hydrogen 2.671 N/A GLN 58.A NE2 GLN 56.A OE1 no hydrogen 3.083 N/A LEU 59.A N GLN 56.A O no hydrogen 3.010 N/A SER 60.A N ARG 57.A O no hydrogen 3.052 N/A SER 60.A OG ASP 83.A OD1 no hydrogen 3.282 N/A SER 60.A OG ASP 83.A OD2 no hydrogen 2.627 N/A SER 61.A N SER 25.A O no hydrogen 2.835 N/A SER 61.A OG SER 25.A O no hydrogen 3.226 N/A THR 62.A N SER 60.A OG no hydrogen 3.337 N/A THR 62.A OG1 SER 25.A OG no hydrogen 2.931 N/A THR 62.A OG1 SER 60.A OG no hydrogen 3.292 N/A THR 62.A OG1 ASP 83.A OD1 no hydrogen 2.704 N/A ARG 64.A N THR 82.A O no hydrogen 2.900 N/A LEU 66.A N LEU 80.A O no hydrogen 3.052 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 2.886 N/A VAL 70.A N GLY 78.A O no hydrogen 2.925 N/A VAL 72.A N TRP 76.A O no hydrogen 2.999 N/A LYS 75.A N ASP 106.A O no hydrogen 3.135 N/A TRP 76.A N VAL 72.A O no hydrogen 3.048 N/A GLU 77.A N GLU 104.A O no hydrogen 2.793 N/A GLY 78.A N VAL 70.A O no hydrogen 3.106 N/A GLU 79.A N ALA 101.A O no hydrogen 3.057 N/A LEU 80.A N LYS 68.A O no hydrogen 2.801 N/A GLY 81.A N ILE 99.A O no hydrogen 3.090 N/A THR 82.A N ARG 64.A O no hydrogen 2.877 N/A ASP 83.A N ALA 97.A O no hydrogen 3.162 N/A LEU 84.A N ASP 83.A OD1 no hydrogen 2.715 N/A VAL 85.A N VAL 95.A O no hydrogen 2.748 N/A SER 86.A N THR 22.A O no hydrogen 3.000 N/A SER 86.A OG THR 94.A OG1 no hydrogen 2.903 N/A GLY 90.A N ILE 87.A O no hydrogen 2.830 N/A THR 94.A OG1 SER 86.A OG no hydrogen 2.903 N/A VAL 95.A N VAL 85.A O no hydrogen 3.113 N/A ARG 96.A N GLN 143.A OE1 no hydrogen 2.922 N/A ARG 96.A NH1 THR 62.A O no hydrogen 3.084 N/A ARG 96.A NH1 THR 82.A OG1 no hydrogen 2.868 N/A ARG 96.A NH2 THR 62.A O no hydrogen 2.794 N/A ALA 97.A N ASP 83.A O no hydrogen 2.969 N/A ASN 98.A ND2 GLU 134.A O no hydrogen 2.963 N/A ILE 99.A N GLY 81.A O no hydrogen 2.721 N/A ALA 100.A N PHE 41.A O no hydrogen 2.883 N/A ALA 101.A N GLU 79.A O no hydrogen 2.952 N/A ILE 102.A N VAL 43.A O no hydrogen 2.800 N/A THR 103.A N GLU 77.A O no hydrogen 2.932 N/A THR 103.A OG1 GLU 77.A O no hydrogen 3.517 N/A GLU 104.A N GLU 77.A O no hydrogen 3.403 N/A ASP 106.A N LYS 75.A O no hydrogen 2.958 N/A SER 113.A N ILE 110.A O no hydrogen 3.347 N/A SER 113.A OG ILE 110.A O no hydrogen 3.187 N/A ASN 114.A ND2 TYR 18.A OH no hydrogen 2.855 N/A TRP 115.A NE1 GLN 15.A O no hydrogen 2.856 N/A GLU 116.A N ASN 31.A O no hydrogen 2.772 N/A ILE 118.A N ALA 42.A O no hydrogen 2.711 N/A LEU 119.A N LEU 33.A O no hydrogen 2.674 N/A GLY 120.A N ASN 40.A O no hydrogen 2.906 N/A LEU 121.A N ASP 35.A O no hydrogen 2.852 N/A ALA 122.A N SER 38.A O no hydrogen 2.800 N/A TYR 123.A N TRP 190.A O no hydrogen 2.964 N/A ILE 126.A N TYR 123.A O no hydrogen 3.253 N/A ALA 127.A N ALA 124.A O no hydrogen 2.897 N/A ARG 128.A N ASN 40.A OD1 no hydrogen 2.800 N/A ARG 128.A NH1 ILE 126.A O no hydrogen 2.681 N/A SER 132.A N ASP 130.A OD2 no hydrogen 2.660 N/A SER 132.A OG ASP 130.A OD2 no hydrogen 2.530 N/A LEU 133.A N ASP 130.A O no hydrogen 3.446 N/A SER 139.A N PRO 135.A O no hydrogen 3.174 N/A SER 139.A OG GLU 134.A OE2 no hydrogen 2.602 N/A SER 139.A OG PRO 135.A O no hydrogen 3.430 N/A LEU 140.A N PHE 136.A O no hydrogen 2.851 N/A VAL 141.A N PHE 137.A O no hydrogen 2.984 N/A LYS 142.A N ASP 138.A O no hydrogen 3.004 N/A LYS 142.A NZ GLU 134.A OE1 no hydrogen 2.984 N/A GLN 143.A N SER 139.A O no hydrogen 2.916 N/A GLN 143.A NE2 ARG 96.A O no hydrogen 2.822 N/A THR 144.A N LEU 140.A O no hydrogen 3.009 N/A THR 144.A OG1 LEU 140.A O no hydrogen 2.554 N/A VAL 146.A N THR 144.A OG1 no hydrogen 3.232 N/A LEU 149.A N PRO 147.A O no hydrogen 2.749 N/A PHE 150.A N PHE 328.A O no hydrogen 3.319 N/A SER 151.A N ILE 168.A O no hydrogen 2.837 N/A SER 151.A OG ILE 168.A O no hydrogen 3.458 N/A SER 151.A OG GLY 171.A O no hydrogen 3.270 N/A SER 151.A OG TYR 325.A OH no hydrogen 2.510 N/A LEU 152.A N VAL 326.A O no hydrogen 2.811 N/A GLN 153.A N SER 166.A O no hydrogen 2.846 N/A CYS 155.A N GLY 164.A O no hydrogen 2.891 N/A CYS 155.A SG GLN 153.A O no hydrogen 4.020 N/A GLY 156.A N TYR 17.A OH no hydrogen 2.822 N/A VAL 163.A N GLY 11.A O no hydrogen 2.865 N/A GLY 164.A N GLY 156.A O no hydrogen 3.304 N/A GLY 165.A N LEU 9.A O no hydrogen 3.253 N/A SER 166.A N GLN 153.A O no hydrogen 2.836 N/A MET 167.A N ASN 8.A OD1 no hydrogen 2.748 N/A ILE 168.A N SER 151.A O no hydrogen 2.922 N/A GLY 170.A N LEU 149.A O no hydrogen 2.744 N/A ASP 173.A N TYR 325.A OH no hydrogen 2.966 N/A SER 175.A N ASP 173.A OD2 no hydrogen 2.986 N/A SER 175.A OG ASP 173.A OD2 no hydrogen 2.682 N/A LEU 176.A N ASP 173.A O no hydrogen 3.023 N/A TYR 177.A OH HIS 174.A ND1 no hydrogen 2.976 N/A THR 178.A N VAL 339.A O no hydrogen 3.026 N/A TRP 182.A N PHE 337.A O no hydrogen 2.850 N/A THR 184.A N ILE 335.A O no hydrogen 2.878 N/A THR 184.A OG1 MET 281.A O no hydrogen 2.632 N/A ILE 186.A N LYS 333.A O no hydrogen 2.884 N/A ARG 187.A N GLU 193.A O no hydrogen 2.813 N/A ARG 187.A NH1 GLU 193.A OE2 no hydrogen 2.727 N/A ARG 188.A NH2 GLU 125.A OE2 no hydrogen 2.576 N/A TRP 190.A N ARG 188.A O no hydrogen 3.088 N/A TRP 190.A N TYR 191.A O no hydrogen 3.224 N/A TRP 190.A NE1 GLU 193.A OE1 no hydrogen 2.809 N/A TYR 192.A OH LEU 121.A O no hydrogen 2.676 N/A VAL 194.A N SER 218.A O no hydrogen 2.873 N/A ILE 196.A N ASN 214.A OD1 no hydrogen 2.780 N/A VAL 197.A N TYR 279.A O no hydrogen 2.834 N/A ARG 198.A NH1 GLU 200.A OE1 no hydrogen 2.935 N/A GLU 200.A N SER 277.A O no hydrogen 3.029 N/A ILE 201.A N GLN 204.A O no hydrogen 2.956 N/A ASN 202.A N VAL 275.A O no hydrogen 2.886 N/A GLN 204.A N ILE 201.A O no hydrogen 2.987 N/A LEU 206.A N VAL 199.A O no hydrogen 3.071 N/A LYS 207.A N ASP 205.A OD2 no hydrogen 2.746 N/A LYS 207.A NZ GLN 204.A OE1 no hydrogen 2.843 N/A LYS 207.A NZ ASP 205.A O no hydrogen 3.206 N/A CYS 210.A SG ASP 361.A OD1 no hydrogen 3.707 N/A LYS 211.A N ASP 209.A OD1 no hydrogen 3.011 N/A LYS 211.A NZ ASP 361.A O no hydrogen 2.713 N/A GLU 212.A N ASP 209.A O no hydrogen 2.843 N/A TYR 213.A N CYS 210.A O no hydrogen 3.164 N/A ASN 214.A N LYS 211.A O no hydrogen 3.123 N/A ASN 214.A ND2 ILE 196.A O no hydrogen 2.796 N/A ASN 214.A ND2 CYS 362.A O no hydrogen 3.082 N/A LYS 217.A NZ THR 312.A O no hydrogen 3.143 N/A SER 218.A OG ASN 214.A OD1 no hydrogen 2.831 N/A ILE 219.A N THR 314.A O no hydrogen 3.006 N/A VAL 220.A N TYR 192.A O no hydrogen 3.079 N/A ASP 221.A N MET 316.A O no hydrogen 2.970 N/A SER 222.A N THR 36.A OG1 no hydrogen 2.898 N/A SER 222.A OG VAL 34.A O no hydrogen 2.704 N/A GLY 223.A N ASP 221.A OD1 no hydrogen 2.692 N/A THR 224.A N ASP 221.A O no hydrogen 3.204 N/A THR 224.A OG1 ASP 221.A OD2 no hydrogen 2.735 N/A THR 225.A OG1 GLY 14.A O no hydrogen 3.270 N/A ASN 226.A ND2 SER 308.A OG no hydrogen 3.182 N/A LEU 227.A N ALA 306.A O no hydrogen 3.043 N/A ARG 228.A N VAL 315.A O no hydrogen 2.936 N/A ARG 228.A NH2 GLN 309.A O no hydrogen 3.138 N/A LEU 229.A N SER 308.A O no hydrogen 2.910 N/A PHE 234.A N PRO 230.A O no hydrogen 2.764 N/A GLU 235.A N LYS 231.A O no hydrogen 3.114 N/A ALA 236.A N LYS 232.A O no hydrogen 3.279 N/A ALA 237.A N VAL 233.A O no hydrogen 2.932 N/A VAL 238.A N PHE 234.A O no hydrogen 2.903 N/A LYS 239.A N GLU 235.A O no hydrogen 3.132 N/A SER 240.A N ALA 236.A O no hydrogen 3.214 N/A ILE 241.A N ALA 237.A O no hydrogen 2.890 N/A LYS 242.A N VAL 238.A O no hydrogen 2.663 N/A ALA 243.A N LYS 239.A O no hydrogen 3.011 N/A ALA 244.A N SER 240.A O no hydrogen 3.049 N/A SER 245.A N ILE 241.A O no hydrogen 3.057 N/A SER 245.A OG ILE 241.A O no hydrogen 2.996 N/A SER 245.A OG LYS 242.A O no hydrogen 3.470 N/A SER 246.A N ALA 243.A O no hydrogen 3.035 N/A SER 246.A OG ALA 243.A O no hydrogen 2.967 N/A PHE 254.A N PRO 251.A O no hydrogen 3.082 N/A LEU 256.A N ASP 252.A O no hydrogen 2.988 N/A GLY 257.A N PHE 254.A O no hydrogen 2.936 N/A GLU 258.A N GLY 253.A O no hydrogen 2.733 N/A GLN 259.A N GLY 253.A O no hydrogen 2.868 N/A VAL 261.A N TYR 303.A O no hydrogen 2.936 N/A GLN 264.A N THR 267.A OG1 no hydrogen 2.930 N/A THR 267.A OG1 GLN 264.A O no hydrogen 2.893 N/A THR 268.A OG1 TYR 303.A OH no hydrogen 2.987 N/A TRP 270.A N THR 268.A O no hydrogen 2.951 N/A ILE 272.A N PRO 269.A O no hydrogen 3.028 N/A PHE 273.A N TRP 270.A O no hydrogen 2.982 N/A VAL 275.A N ASN 202.A OD1 no hydrogen 2.973 N/A ILE 276.A N ILE 293.A O no hydrogen 3.036 N/A SER 277.A N GLU 200.A O no hydrogen 2.906 N/A SER 277.A OG THR 292.A OG1 no hydrogen 2.839 N/A LEU 278.A N ILE 291.A O no hydrogen 2.912 N/A TYR 279.A N ARG 198.A O no hydrogen 2.775 N/A TYR 279.A OH GLU 200.A OE2 no hydrogen 2.602 N/A LEU 280.A N PHE 289.A O no hydrogen 2.747 N/A MET 281.A N ILE 195.A O no hydrogen 2.878 N/A GLY 282.A N GLN 287.A O no hydrogen 2.861 N/A GLN 287.A N VAL 284.A O no hydrogen 2.812 N/A SER 288.A N PHE 357.A O no hydrogen 2.855 N/A SER 288.A OG PHE 357.A O no hydrogen 3.045 N/A PHE 289.A N LEU 280.A O no hydrogen 3.029 N/A ARG 290.A N GLU 354.A O no hydrogen 2.834 N/A ARG 290.A NE GLU 354.A OE2 no hydrogen 2.838 N/A ARG 290.A NH1 TYR 279.A OH no hydrogen 2.927 N/A ARG 290.A NH2 GLU 354.A OE2 no hydrogen 2.862 N/A ILE 291.A N LEU 278.A O no hydrogen 2.862 N/A THR 292.A N ALA 352.A O no hydrogen 2.865 N/A THR 292.A OG1 SER 277.A OG no hydrogen 2.839 N/A ILE 293.A N ILE 276.A O no hydrogen 2.845 N/A LEU 294.A N GLN 297.A OE1 no hydrogen 3.097 N/A GLN 296.A N GLN 296.A OE1 no hydrogen 2.808 N/A GLN 296.A NE2 ASP 346.A OD1 no hydrogen 3.489 N/A GLN 297.A N LEU 294.A O no hydrogen 2.889 N/A GLN 297.A NE2 VAL 319.A O no hydrogen 3.236 N/A TYR 298.A N LEU 294.A O no hydrogen 3.322 N/A TYR 298.A OH PRO 274.A O no hydrogen 2.617 N/A LEU 299.A N PRO 295.A O no hydrogen 2.850 N/A ARG 300.A N LYS 304.A O no hydrogen 3.148 N/A TYR 303.A N VAL 261.A O no hydrogen 2.831 N/A TYR 303.A OH THR 268.A OG1 no hydrogen 2.987 N/A LYS 304.A N ARG 300.A O no hydrogen 2.861 N/A ALA 306.A N TYR 298.A O no hydrogen 2.792 N/A SER 308.A N LEU 227.A O no hydrogen 3.016 N/A SER 310.A N LEU 229.A O no hydrogen 2.739 N/A SER 310.A OG GLY 313.A O no hydrogen 2.629 N/A THR 312.A N SER 310.A OG no hydrogen 3.035 N/A THR 314.A N LYS 217.A O no hydrogen 2.773 N/A THR 314.A OG1 TYR 213.A O no hydrogen 2.776 N/A VAL 315.A N ARG 228.A O no hydrogen 2.781 N/A MET 316.A N ILE 219.A O no hydrogen 2.839 N/A ALA 318.A N THR 224.A O no hydrogen 2.698 N/A VAL 319.A N THR 225.A O no hydrogen 3.093 N/A ILE 320.A N GLY 317.A O no hydrogen 2.984 N/A MET 321.A N GLY 317.A O no hydrogen 3.072 N/A GLU 322.A N ALA 318.A O no hydrogen 2.807 N/A GLY 323.A N ILE 320.A O no hydrogen 3.440 N/A PHE 324.A N MET 321.A O no hydrogen 2.949 N/A TYR 325.A N ALA 338.A O no hydrogen 2.770 N/A TYR 325.A OH SER 151.A OG no hydrogen 2.510 N/A VAL 326.A N LEU 152.A O no hydrogen 2.966 N/A VAL 327.A N GLY 336.A O no hydrogen 2.741 N/A PHE 328.A N PHE 150.A O no hydrogen 2.781 N/A ASP 329.A N ARG 334.A O no hydrogen 2.907 N/A ARG 330.A N PHE 328.A O no hydrogen 3.004 N/A ARG 330.A NE ASN 148.A OD1 no hydrogen 2.858 N/A ARG 330.A NH1 TYR 192.A OH no hydrogen 3.023 N/A ARG 330.A NH2 ASP 138.A OD2 no hydrogen 3.423 N/A ALA 331.A N ASN 148.A O no hydrogen 3.033 N/A ARG 332.A N ASP 329.A O no hydrogen 3.180 N/A ARG 332.A N ASP 329.A OD1 no hydrogen 3.141 N/A LYS 333.A N ARG 330.A O no hydrogen 3.241 N/A ARG 334.A N ASP 329.A O no hydrogen 3.121 N/A ARG 334.A NE ASP 329.A OD2 no hydrogen 2.921 N/A ARG 334.A NH1 GLU 283.A OE2 no hydrogen 2.860 N/A ARG 334.A NH2 ASP 329.A OD2 no hydrogen 3.493 N/A ILE 335.A N THR 184.A O no hydrogen 2.792 N/A GLY 336.A N VAL 327.A O no hydrogen 2.743 N/A PHE 337.A N TRP 182.A O no hydrogen 2.744 N/A ALA 338.A N TYR 325.A O no hydrogen 3.089 N/A SER 340.A N GLY 323.A O no hydrogen 3.297 N/A SER 340.A OG GLN 153.A OE1 no hydrogen 3.160 N/A ALA 341.A N LEU 176.A O no hydrogen 2.965 N/A CYS 342.A N SER 340.A OG no hydrogen 3.199 N/A CYS 342.A SG LEU 154.A O no hydrogen 4.025 N/A CYS 342.A SG SER 340.A OG no hydrogen 3.105 N/A HIS 345.A ND1 ASP 346.A O no hydrogen 2.979 N/A PHE 348.A N ASP 346.A OD2 no hydrogen 3.005 N/A ARG 349.A N ASP 346.A OD2 no hydrogen 2.734 N/A ARG 349.A NH1 PHE 273.A O no hydrogen 2.613 N/A ARG 349.A NH2 TRP 270.A O no hydrogen 3.045 N/A ARG 349.A NH2 PHE 273.A O no hydrogen 2.873 N/A THR 350.A OG1 ALA 351.A O no hydrogen 3.492 N/A ALA 352.A N THR 292.A O no hydrogen 3.209 N/A GLU 354.A N ARG 290.A O no hydrogen 2.981 N/A PHE 357.A N SER 288.A O no hydrogen 2.735 N/A THR 359.A N ASN 286.A O no hydrogen 2.915 N/A THR 359.A OG1 ASN 286.A O no hydrogen 3.367 N/A CYS 362.A SG ASP 361.A OD1 no hydrogen 3.842 N/A