Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4s3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N THR 91.A OG1 no hydrogen 2.801 N/A LYS 2.A N LYS 64.A O no hydrogen 2.994 N/A LYS 2.A NZ ASP 63.A OD2 no hydrogen 2.429 N/A ILE 3.A N LEU 89.A O no hydrogen 2.984 N/A SER 4.A N SER 61.A O no hydrogen 3.140 N/A SER 4.A OG SER 61.A OG no hydrogen 3.035 N/A VAL 5.A N ILE 87.A O no hydrogen 2.841 N/A LYS 7.A NZ GLU 11.A OE2 no hydrogen 2.630 N/A LYS 7.A NZ ASP 84.A OD1 no hydrogen 3.485 N/A ASN 8.A ND2 ASP 84.A OD1 no hydrogen 3.439 N/A LEU 10.A N SER 6.A O no hydrogen 2.937 N/A GLU 11.A N LYS 7.A O no hydrogen 2.808 N/A ASN 12.A N ASN 8.A O no hydrogen 2.997 N/A ALA 13.A N ASP 9.A O no hydrogen 2.998 N/A LEU 14.A N LEU 10.A O no hydrogen 2.857 N/A ARG 15.A N GLU 11.A O no hydrogen 2.864 N/A ARG 15.A NH2 GLU 11.A OE1 no hydrogen 2.710 N/A TYR 16.A N ASN 12.A O no hydrogen 3.267 N/A LEU 17.A N ALA 13.A O no hydrogen 3.282 N/A LEU 17.A N LEU 14.A O no hydrogen 3.155 N/A GLN 18.A N ARG 15.A O no hydrogen 3.335 N/A GLN 18.A NE2 LEU 14.A O no hydrogen 3.066 N/A GLN 18.A NE2 GLY 72.A O no hydrogen 3.008 N/A PHE 20.A N LEU 17.A O no hydrogen 3.054 N/A LEU 21.A N GLN 18.A O no hydrogen 3.176 N/A ASP 22.A N ALA 30.A O no hydrogen 3.071 N/A LYS 23.A NZ GLN 18.A O no hydrogen 2.762 N/A LYS 23.A NZ LEU 21.A O no hydrogen 3.294 N/A SER 27.A N ASP 25.A OD1 no hydrogen 3.094 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 2.590 N/A SER 27.A OG ASP 25.A OD2 no hydrogen 3.473 N/A SER 28.A N ASP 25.A O no hydrogen 3.225 N/A ALA 30.A N SER 28.A OG no hydrogen 3.145 N/A SER 31.A N SER 28.A O no hydrogen 2.886 N/A SER 31.A OG ASP 25.A O no hydrogen 3.536 N/A SER 31.A OG ALA 26.A O no hydrogen 3.293 N/A SER 31.A OG SER 28.A O no hydrogen 2.735 N/A HIS 32.A N ILE 29.A O no hydrogen 2.906 N/A HIS 32.A ND1 THR 69.A OG1 no hydrogen 2.891 N/A ILE 33.A N ILE 70.A O no hydrogen 2.715 N/A HIS 34.A N LYS 45.A O no hydrogen 2.891 N/A LEU 35.A N GLY 68.A O no hydrogen 2.740 N/A GLU 36.A N PHE 43.A O no hydrogen 2.945 N/A VAL 37.A N GLY 66.A O no hydrogen 2.880 N/A ILE 38.A N LYS 41.A O no hydrogen 3.057 N/A LYS 39.A N GLU 65.A OE2 no hydrogen 2.682 N/A LYS 41.A N ILE 38.A O no hydrogen 3.053 N/A LEU 42.A N ILE 57.A O no hydrogen 2.775 N/A PHE 43.A N GLU 36.A O no hydrogen 2.841 N/A LEU 44.A N SER 55.A O no hydrogen 2.849 N/A LYS 45.A N HIS 34.A O no hydrogen 2.952 N/A LYS 45.A NZ HIS 34.A ND1 no hydrogen 3.080 N/A ALA 46.A N LEU 53.A O no hydrogen 3.006 N/A ASP 48.A N ILE 51.A O no hydrogen 2.886 N/A SER 49.A OG ASP 50.A OD1 no hydrogen 2.350 N/A ASP 50.A N ASP 48.A OD1 no hydrogen 2.635 N/A ILE 51.A N ASP 48.A OD1 no hydrogen 2.999 N/A GLY 52.A N PHE 234.A O no hydrogen 3.059 N/A LEU 53.A N ALA 46.A O no hydrogen 2.937 N/A LYS 54.A N THR 232.A O no hydrogen 2.803 N/A SER 55.A N LEU 44.A O no hydrogen 2.874 N/A SER 55.A OG HIS 231.A ND1 no hydrogen 2.723 N/A ILE 57.A N LEU 42.A O no hydrogen 2.929 N/A THR 59.A N GLU 40.A O no hydrogen 2.993 N/A GLN 60.A N SER 4.A O no hydrogen 2.808 N/A SER 61.A N SER 4.A O no hydrogen 3.379 N/A SER 61.A OG SER 4.A OG no hydrogen 3.035 N/A SER 62.A OG LYS 39.A O no hydrogen 3.451 N/A ASP 63.A N LYS 2.A O no hydrogen 2.934 N/A LYS 64.A N LYS 2.A O no hydrogen 3.206 N/A GLY 68.A N LEU 35.A O no hydrogen 2.998 N/A THR 69.A OG1 HIS 32.A ND1 no hydrogen 2.891 N/A ILE 70.A N ILE 33.A O no hydrogen 3.005 N/A GLY 72.A N SER 31.A O no hydrogen 3.011 N/A LYS 73.A NZ ASP 77.A OD2 no hydrogen 2.873 N/A LYS 74.A N ASN 71.A OD1 no hydrogen 2.913 N/A PHE 75.A N ASN 71.A O no hydrogen 2.999 N/A LEU 76.A N GLY 72.A O no hydrogen 3.091 N/A ASP 77.A N LYS 73.A O no hydrogen 2.875 N/A ILE 78.A N LYS 74.A O no hydrogen 2.893 N/A ILE 79.A N PHE 75.A O no hydrogen 3.025 N/A SER 80.A N LEU 76.A O no hydrogen 2.919 N/A SER 80.A OG LEU 76.A O no hydrogen 3.039 N/A SER 80.A OG ASP 77.A O no hydrogen 3.056 N/A CYS 81.A N ILE 78.A O no hydrogen 2.982 N/A CYS 81.A SG ASP 77.A O no hydrogen 3.644 N/A LEU 82.A N ILE 79.A O no hydrogen 2.994 N/A LYS 83.A N GLN 100.A OE1 no hydrogen 2.734 N/A ILE 87.A N VAL 5.A O no hydrogen 2.814 N/A ILE 88.A N LYS 99.A O no hydrogen 2.820 N/A LEU 89.A N ILE 3.A O no hydrogen 2.916 N/A GLU 90.A N ALA 97.A O no hydrogen 3.005 N/A THR 91.A N MET 1.A O no hydrogen 2.934 N/A THR 91.A OG1 MET 1.A O no hydrogen 3.505 N/A LYS 92.A N SER 95.A O no hydrogen 2.760 N/A LYS 92.A NZ GLU 90.A OE2 no hydrogen 2.884 N/A ASP 94.A N ASP 93.A OD1 no hydrogen 2.373 N/A SER 95.A OG LEU 107.A O no hydrogen 3.427 N/A LEU 96.A N LEU 107.A O no hydrogen 2.771 N/A ALA 97.A N GLU 90.A O no hydrogen 2.760 N/A ILE 98.A N PHE 105.A O no hydrogen 2.859 N/A LYS 99.A N ILE 88.A O no hydrogen 2.897 N/A GLN 100.A N SER 103.A O no hydrogen 2.892 N/A GLN 100.A NE2 LYS 83.A O no hydrogen 2.792 N/A GLN 100.A NE2 SER 85.A O no hydrogen 2.922 N/A ASN 101.A ND2.A SER 85.A OG no hydrogen 3.299 N/A SER 103.A N GLN 100.A O no hydrogen 2.865 N/A PHE 105.A N ILE 98.A O no hydrogen 2.783 N/A LEU 107.A N LEU 96.A O no hydrogen 3.037 N/A MET 109.A N ASP 94.A O no hydrogen 2.695 N/A PHE 110.A N THR 69.A OG1 no hydrogen 2.832 N/A ASP 113.A N ASP 111.A OD1 no hydrogen 3.054 N/A GLU 114.A N ASP 111.A O no hydrogen 2.975 N/A PHE 115.A N ALA 112.A O no hydrogen 3.068 N/A LYS 124.A N SER 219.A O no hydrogen 2.652 N/A VAL 125.A N SER 219.A O no hydrogen 3.126 N/A SER 126.A N HIS 189.A O no hydrogen 2.683 N/A ILE 127.A N PHE 217.A O no hydrogen 2.861 N/A VAL 129.A N PHE 215.A O no hydrogen 2.857 N/A ASN 130.A ND2 ASN 214.A OD1 no hydrogen 2.378 N/A ASP 136.A N PRO 132.A O no hydrogen 2.967 N/A ALA 137.A N PHE 133.A O no hydrogen 2.958 N/A PHE 138.A N LEU 134.A O no hydrogen 2.914 N/A LYS 139.A N VAL 135.A O no hydrogen 2.827 N/A LYS 140.A N ASP 136.A O no hydrogen 2.979 N/A LYS 140.A NZ ASP 136.A OD1 no hydrogen 3.498 N/A LYS 140.A NZ ASP 136.A OD2 no hydrogen 2.783 N/A LYS 140.A NZ ALA 363.A O no hydrogen 2.898 N/A ILE 141.A N ALA 137.A O no hydrogen 3.040 N/A ALA 142.A N PHE 138.A O no hydrogen 2.939 N/A VAL 144.A N ILE 141.A O no hydrogen 3.006 N/A ILE 145.A N ALA 142.A O no hydrogen 3.001 N/A SER 149.A N GLU 146.A O no hydrogen 3.302 N/A SER 149.A OG LYS 151.A O no hydrogen 2.882 N/A LYS 151.A N SER 149.A OG no hydrogen 3.153 N/A ALA 155.A N ARG 152.A O no hydrogen 3.176 N/A ILE 157.A N LEU 199.A O no hydrogen 2.775 N/A LEU 158.A N VAL 171.A O no hydrogen 2.877 N/A MET 159.A N CYS 197.A O no hydrogen 2.773 N/A GLN 160.A N SER 169.A O no hydrogen 2.789 N/A PHE 161.A N ILE 195.A O no hydrogen 2.902 N/A ASP 162.A N THR 167.A O no hydrogen 2.833 N/A GLN 163.A N GLU 193.A O no hydrogen 3.038 N/A GLN 163.A NE2 ILE 188.A O no hydrogen 2.705 N/A HIS 165.A N ASP 162.A OD1 no hydrogen 2.731 N/A HIS 165.A ND1 ASP 162.A OD2 no hydrogen 2.924 N/A GLN 166.A N GLN 163.A O no hydrogen 3.326 N/A GLN 166.A NE2 GLN 163.A O no hydrogen 2.229 N/A GLN 166.A NE2 ILE 188.A O no hydrogen 3.608 N/A THR 167.A N ASP 162.A O no hydrogen 3.149 N/A LEU 168.A N LEU 183.A O no hydrogen 2.896 N/A SER 169.A N GLN 160.A O no hydrogen 2.817 N/A SER 169.A OG GLN 182.A OE1 no hydrogen 3.377 N/A VAL 170.A N THR 181.A O no hydrogen 2.954 N/A VAL 171.A N LEU 158.A O no hydrogen 3.109 N/A GLY 172.A N SER 179.A O no hydrogen 2.866 N/A THR 173.A OG1 ARG 177.A O no hydrogen 2.718 N/A ASP 174.A N ARG 177.A O no hydrogen 3.190 N/A THR 175.A N THR 173.A OG1 no hydrogen 3.003 N/A THR 175.A OG1 ASP 174.A O no hydrogen 2.309 N/A LYS 176.A N ASP 174.A OD1 no hydrogen 2.993 N/A ARG 177.A N ASP 174.A OD1 no hydrogen 3.071 N/A ARG 177.A NE ASP 174.A OD2 no hydrogen 3.046 N/A ARG 177.A NH1 GLU 327.A OE2 no hydrogen 2.443 N/A ARG 177.A NH2 GLU 327.A OE2 no hydrogen 2.907 N/A LEU 178.A N LEU 368.A O no hydrogen 2.973 N/A SER 179.A N GLY 172.A O no hydrogen 2.857 N/A SER 179.A OG THR 367.A OG1 no hydrogen 2.788 N/A TYR 180.A N SER 366.A O no hydrogen 3.061 N/A THR 181.A N VAL 170.A O no hydrogen 2.873 N/A THR 181.A OG1 LYS 364.A O no hydrogen 2.838 N/A LEU 183.A N LEU 168.A O no hydrogen 2.762 N/A LYS 185.A NZ GLN 358.A OE1 no hydrogen 3.464 N/A ILE 186.A N GLN 166.A O no hydrogen 3.004 N/A ILE 188.A N GLN 166.A OE1 no hydrogen 2.827 N/A HIS 189.A N SER 126.A O no hydrogen 3.004 N/A SER 190.A OG LYS 124.A O no hydrogen 3.439 N/A SER 190.A OG GLU 192.A O no hydrogen 2.737 N/A THR 191.A N LYS 124.A O no hydrogen 2.813 N/A THR 191.A OG1 LYS 124.A O no hydrogen 3.454 N/A GLU 192.A N SER 190.A OG no hydrogen 3.257 N/A ILE 195.A N PHE 161.A O no hydrogen 3.301 N/A CYS 197.A N MET 159.A O no hydrogen 2.862 N/A CYS 197.A SG SER 219.A OG no hydrogen 3.473 N/A LEU 199.A N ILE 157.A O no hydrogen 2.958 N/A LYS 201.A N ALA 155.A O no hydrogen 3.270 N/A LYS 201.A NZ ALA 142.A O no hydrogen 2.920 N/A LYS 201.A NZ ILE 145.A O no hydrogen 2.416 N/A ARG 202.A NH2 ALA 19.A O no hydrogen 2.932 N/A LEU 204.A N PRO 200.A O no hydrogen 3.022 N/A LEU 205.A N LYS 201.A O no hydrogen 2.885 N/A GLU 206.A N ARG 202.A O no hydrogen 2.918 N/A ILE 207.A N ALA 203.A O no hydrogen 2.769 N/A LEU 208.A N LEU 204.A O no hydrogen 3.088 N/A LYS 209.A N GLU 206.A O no hydrogen 2.897 N/A LYS 209.A NZ GLU 206.A OE1 no hydrogen 2.942 N/A LYS 209.A NZ GLU 206.A OE2 no hydrogen 3.147 N/A LEU 210.A N GLU 206.A O no hydrogen 3.229 N/A LEU 210.A N ILE 207.A O no hydrogen 3.078 N/A PHE 211.A N ILE 207.A O no hydrogen 2.886 N/A PHE 215.A N VAL 129.A O no hydrogen 3.162 N/A SER 216.A N GLU 227.A O no hydrogen 2.775 N/A SER 216.A OG GLU 227.A O no hydrogen 3.466 N/A PHE 217.A N ILE 127.A O no hydrogen 2.885 N/A LYS 218.A N VAL 225.A O no hydrogen 2.899 N/A SER 219.A N VAL 125.A O no hydrogen 2.974 N/A SER 219.A OG LEU 223.A O no hydrogen 2.917 N/A ASP 220.A N LEU 223.A O no hydrogen 3.301 N/A GLY 221.A N SER 219.A OG no hydrogen 3.039 N/A MET 222.A N ASP 220.A OD1 no hydrogen 3.028 N/A LEU 223.A N ASP 220.A OD1 no hydrogen 2.796 N/A ALA 224.A N THR 235.A O no hydrogen 2.893 N/A VAL 225.A N LYS 218.A O no hydrogen 2.736 N/A ILE 226.A N PHE 233.A O no hydrogen 2.745 N/A GLU 227.A N SER 216.A O no hydrogen 3.070 N/A ASN 228.A N HIS 231.A O no hydrogen 3.034 N/A HIS 231.A N ASN 228.A OD1 no hydrogen 2.803 N/A HIS 231.A ND1 SER 55.A OG no hydrogen 2.723 N/A THR 232.A N LYS 54.A O no hydrogen 2.791 N/A PHE 233.A N ILE 226.A O no hydrogen 2.810 N/A PHE 234.A N GLY 52.A O no hydrogen 2.943 N/A THR 235.A N ALA 224.A O no hydrogen 2.953 N/A THR 235.A OG1 LYS 236.A O no hydrogen 2.771 N/A LYS 236.A N ASP 50.A O no hydrogen 2.711 N/A LEU 237.A N MET 222.A O no hydrogen 2.958 N/A ILE 238.A N ILE 198.A O no hydrogen 2.842 N/A GLN 246.A N ASP 244.A OD1 no hydrogen 3.368 N/A LYS 247.A NZ ASP 244.A OD2 no hydrogen 3.048 N/A ILE 248.A N TYR 245.A O no hydrogen 3.181 N/A ILE 254.A N ASN 342.A OD1 no hydrogen 2.774 N/A SER 255.A N CYS 341.A O no hydrogen 2.975 N/A PHE 257.A N LEU 339.A O no hydrogen 2.844 N/A LEU 259.A N PHE 337.A O no hydrogen 2.752 N/A LYS 261.A N THR 335.A O no hydrogen 3.120 N/A LYS 261.A NZ LEU 332.A O no hydrogen 3.094 N/A LYS 261.A NZ THR 334.A O no hydrogen 2.956 N/A PHE 264.A N GLY 260.A O no hydrogen 3.066 N/A LYS 265.A N LYS 261.A O no hydrogen 2.905 N/A LYS 265.A NZ GLU 262.A OE2 no hydrogen 3.244 N/A GLU 266.A N GLU 262.A O no hydrogen 2.915 N/A SER 267.A N GLU 263.A O no hydrogen 2.948 N/A SER 267.A OG GLU 263.A O no hydrogen 2.929 N/A ILE 268.A N PHE 264.A O no hydrogen 2.886 N/A LYS 269.A N LYS 265.A O no hydrogen 2.967 N/A LEU 270.A N GLU 266.A O no hydrogen 3.089 N/A CYS 271.A N SER 267.A O no hydrogen 3.141 N/A CYS 271.A SG SER 267.A O no hydrogen 3.755 N/A CYS 271.A SG PHE 289.A O no hydrogen 3.616 N/A CYS 271.A SG ALA 300.A O no hydrogen 3.946 N/A SER 272.A N ILE 268.A O no hydrogen 2.891 N/A SER 272.A OG ILE 268.A O no hydrogen 2.761 N/A SER 273.A N LEU 270.A O no hydrogen 3.444 N/A SER 273.A OG LEU 270.A O no hydrogen 2.874 N/A LEU 274.A N CYS 271.A O no hydrogen 3.091 N/A SER 275.A OG CYS 271.A O no hydrogen 3.214 N/A SER 275.A OG THR 277.A O no hydrogen 2.952 N/A SER 276.A N ASP 293.A OD1 no hydrogen 2.703 N/A SER 276.A OG ASP 293.A OD1 no hydrogen 3.504 N/A SER 276.A OG ASP 293.A OD2 no hydrogen 2.475 N/A THR 277.A N ASP 293.A OD1 no hydrogen 2.877 N/A ILE 278.A N VAL 320.A O no hydrogen 2.889 N/A LYS 279.A N GLU 290.A O no hydrogen 2.748 N/A LEU 280.A N LEU 318.A O no hydrogen 2.786 N/A THR 281.A N LEU 288.A O no hydrogen 2.847 N/A THR 281.A OG1 HIS 317.A ND1 no hydrogen 3.104 N/A LEU 282.A N PHE 316.A O no hydrogen 2.700 N/A GLU 283.A N ASN 286.A O no hydrogen 2.871 N/A LYS 284.A NZ ASN 285.A OD1 no hydrogen 2.726 N/A ASN 285.A ND2 ILE 306.A O no hydrogen 2.808 N/A ALA 287.A N VAL 304.A O no hydrogen 2.855 N/A LEU 288.A N THR 281.A O no hydrogen 2.805 N/A PHE 289.A N THR 302.A O no hydrogen 2.704 N/A GLU 290.A N LYS 279.A O no hydrogen 2.980 N/A SER 291.A N ALA 300.A O no hydrogen 2.915 N/A SER 291.A OG SER 294.A OG no hydrogen 3.340 N/A SER 291.A OG ALA 300.A O no hydrogen 3.561 N/A LEU 292.A N THR 277.A O no hydrogen 2.921 N/A SER 294.A OG SER 291.A OG no hydrogen 3.340 N/A SER 294.A OG GLU 298.A O no hydrogen 2.761 N/A GLU 298.A N GLU 295.A O no hydrogen 3.064 N/A ALA 300.A N SER 291.A OG no hydrogen 3.064 N/A THR 302.A N PHE 289.A O no hydrogen 2.914 N/A VAL 304.A N ALA 287.A O no hydrogen 2.871 N/A ILE 306.A N ASN 285.A O no hydrogen 2.800 N/A LEU 310.A N LYS 284.A O no hydrogen 2.789 N/A PHE 316.A N LEU 282.A O no hydrogen 2.758 N/A HIS 317.A ND1 THR 281.A OG1 no hydrogen 3.104 N/A LEU 318.A N LEU 280.A O no hydrogen 2.781 N/A VAL 320.A N ILE 278.A O no hydrogen 2.874 N/A ALA 322.A N SER 276.A O no hydrogen 2.926 N/A PHE 324.A N ASN 321.A OD1 no hydrogen 2.875 N/A PHE 325.A N ASN 321.A O no hydrogen 2.977 N/A LEU 326.A N ALA 322.A O no hydrogen 2.850 N/A GLU 327.A N LYS 323.A O no hydrogen 2.880 N/A ALA 328.A N PHE 324.A O no hydrogen 2.843 N/A LEU 329.A N PHE 325.A O no hydrogen 3.055 N/A ASN 330.A N LEU 326.A O no hydrogen 2.854 N/A ALA 331.A N GLU 327.A O no hydrogen 3.199 N/A LEU 332.A N LEU 329.A O no hydrogen 3.010 N/A GLY 333.A N GLU 352.A OE2 no hydrogen 2.756 N/A THR 334.A OG1 GLN 336.A O no hydrogen 2.639 N/A PHE 337.A N LEU 259.A O no hydrogen 2.872 N/A VAL 338.A N GLN 351.A O no hydrogen 2.892 N/A LEU 339.A N PHE 257.A O no hydrogen 2.816 N/A ARG 340.A N LEU 349.A O no hydrogen 2.910 N/A ARG 340.A NE GLN 351.A OE1 no hydrogen 2.644 N/A ARG 340.A NH1 SER 256.A OG no hydrogen 2.891 N/A ARG 340.A NH2 GLN 351.A OE1 no hydrogen 2.647 N/A CYS 341.A N SER 255.A O no hydrogen 2.729 N/A ASN 342.A ND2 GLU 252.A O no hydrogen 3.289 N/A SER 346.A N GLU 343.A O no hydrogen 2.812 N/A PHE 348.A N MET 369.A O no hydrogen 2.866 N/A LEU 349.A N ARG 340.A O no hydrogen 2.900 N/A ILE 350.A N THR 367.A O no hydrogen 2.724 N/A GLN 351.A N VAL 338.A O no hydrogen 3.119 N/A GLN 351.A NE2 SER 366.A OG no hydrogen 3.008 N/A GLU 356.A N GLU 356.A OE1 no hydrogen 2.862 N/A LYS 357.A N LEU 354.A O no hydrogen 2.945 N/A SER 359.A OG ASN 362.A O no hydrogen 3.071 N/A ALA 363.A N ASP 136.A OD2 no hydrogen 2.862 N/A LYS 364.A NZ LEU 354.A O no hydrogen 3.012 N/A LYS 364.A NZ LYS 357.A O no hydrogen 2.645 N/A SER 366.A N TYR 180.A O no hydrogen 3.068 N/A THR 367.A N ILE 350.A O no hydrogen 2.780 N/A THR 367.A OG1 SER 179.A OG no hydrogen 2.788 N/A LEU 368.A N LEU 178.A O no hydrogen 2.807 N/A MET 369.A N PHE 348.A O no hydrogen 2.793 N/A MET 370.A N LYS 176.A O no hydrogen 3.198 N/A ILE 372.A N GLY 319.A O no hydrogen 2.679 N/A