Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xb2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N HIS 38.A O no hydrogen 3.023 N/A ASN 4.A N ASP 61.A OD2 no hydrogen 2.864 N/A VAL 5.A N ALA 40.A O no hydrogen 3.061 N/A GLY 6.A N GLY 62.A O no hydrogen 3.065 N/A THR 7.A N THR 42.A O no hydrogen 2.865 N/A THR 7.A OG1 HIS 41.A NE2 no hydrogen 2.581 N/A ILE 8.A N ILE 64.A O no hydrogen 3.030 N/A HIS 13.A N HIS 10.A O no hydrogen 3.092 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.114 N/A LYS 15.A NZ ASP 43.A OD1 no hydrogen 3.309 N/A LEU 18.A N GLY 14.A O no hydrogen 2.770 N/A THR 19.A N LYS 15.A O no hydrogen 2.915 N/A THR 19.A OG1 LYS 15.A O no hydrogen 3.166 N/A THR 19.A OG1 HIS 41.A NE2 no hydrogen 3.211 N/A ALA 20.A N THR 16.A O no hydrogen 3.094 N/A ALA 21.A N THR 17.A O no hydrogen 2.844 N/A ILE 22.A N LEU 18.A O no hydrogen 2.882 N/A THR 23.A N THR 19.A O no hydrogen 3.295 N/A THR 23.A OG1 THR 19.A O no hydrogen 3.232 N/A LYS 24.A N ALA 20.A O no hydrogen 3.028 N/A ILE 25.A N ALA 21.A O no hydrogen 3.070 N/A LEU 26.A N ILE 22.A O no hydrogen 3.140 N/A ALA 27.A N LYS 24.A O no hydrogen 3.331 N/A VAL 30.A N HIS 41.A O no hydrogen 3.001 N/A TYR 32.A N TYR 39.A O no hydrogen 3.264 N/A TYR 32.A OH HIS 41.A ND1 no hydrogen 2.767 N/A SER 33.A OG HIS 38.A ND1 no hydrogen 3.275 N/A THR 34.A N ARG 37.A O no hydrogen 3.277 N/A THR 34.A OG1 ASP 158.A OD1 no hydrogen 2.646 N/A THR 34.A OG1 ASP 158.A OD2 no hydrogen 3.045 N/A ARG 37.A NH1 VAL 157.A O no hydrogen 3.351 N/A ARG 37.A NH1 ILE 161.A O no hydrogen 2.741 N/A ARG 37.A NH2 ILE 161.A O no hydrogen 2.672 N/A HIS 38.A N PRO 1.A O no hydrogen 2.948 N/A HIS 38.A ND1 SER 33.A OG no hydrogen 3.275 N/A TYR 39.A N TYR 32.A O no hydrogen 2.779 N/A TYR 39.A OH ASP 158.A OD1 no hydrogen 2.506 N/A ALA 40.A N VAL 3.A O no hydrogen 2.943 N/A HIS 41.A N VAL 30.A O no hydrogen 2.911 N/A HIS 41.A ND1 TYR 32.A OH no hydrogen 2.767 N/A THR 42.A N VAL 5.A O no hydrogen 2.838 N/A CYS 44.A N TYR 50.A OH no hydrogen 2.838 N/A ASP 49.A N GLY 46.A O no hydrogen 3.106 N/A TYR 50.A N GLY 46.A O no hydrogen 3.180 N/A TYR 50.A OH THR 7.A O no hydrogen 3.285 N/A VAL 51.A N HIS 47.A O no hydrogen 3.030 N/A LYS 52.A N ALA 48.A O no hydrogen 3.000 N/A LYS 52.A NZ TYR 269.A OH no hydrogen 3.238 N/A LYS 52.A NZ GLU 275.A OE2 no hydrogen 3.300 N/A ASN 53.A N ASP 49.A O no hydrogen 3.022 N/A THR 55.A N LYS 52.A O no hydrogen 2.909 N/A THR 55.A OG1 LYS 52.A O no hydrogen 3.201 N/A ASP 61.A N ASN 4.A O no hydrogen 2.778 N/A GLY 62.A N ASN 4.A O no hydrogen 3.367 N/A CYS 63.A N HIS 90.A O no hydrogen 3.248 N/A ILE 64.A N GLY 6.A O no hydrogen 2.819 N/A LEU 65.A N VAL 92.A O no hydrogen 2.900 N/A VAL 66.A N ILE 8.A O no hydrogen 2.980 N/A VAL 67.A N TYR 94.A O no hydrogen 3.021 N/A ALA 68.A N HIS 13.A ND1 no hydrogen 3.176 N/A ALA 69.A N ASN 96.A O no hydrogen 2.647 N/A GLY 72.A N ALA 68.A O no hydrogen 2.710 N/A GLN 75.A N GLN 75.A OE1 no hydrogen 2.636 N/A ARG 77.A N PRO 74.A O no hydrogen 3.289 N/A HIS 79.A N GLN 75.A O no hydrogen 2.941 N/A LEU 80.A N THR 76.A O no hydrogen 3.149 N/A LEU 81.A N ARG 77.A O no hydrogen 2.983 N/A LEU 82.A N GLU 78.A O no hydrogen 3.078 N/A ALA 83.A N HIS 79.A O no hydrogen 3.289 N/A ARG 84.A N LEU 80.A O no hydrogen 2.990 N/A ARG 84.A NH1 PHE 120.A O no hydrogen 2.735 N/A GLN 85.A N LEU 81.A O no hydrogen 2.849 N/A GLN 85.A NE2 HIS 47.A NE2 no hydrogen 3.554 N/A ILE 86.A N LEU 82.A O no hydrogen 2.973 N/A GLY 87.A N ARG 84.A O no hydrogen 3.351 N/A VAL 88.A N ALA 83.A O no hydrogen 2.974 N/A VAL 92.A N CYS 63.A O no hydrogen 2.928 N/A VAL 93.A N PRO 128.A O no hydrogen 2.928 N/A TYR 94.A N LEU 65.A O no hydrogen 2.935 N/A TYR 94.A OH SER 149.A OG no hydrogen 2.865 N/A VAL 95.A N ILE 130.A O no hydrogen 2.831 N/A ASN 96.A N VAL 67.A O no hydrogen 2.769 N/A ASN 96.A ND2 HIS 13.A O no hydrogen 3.163 N/A LYS 97.A N GLY 132.A O no hydrogen 2.924 N/A GLN 102.A NE2 ASN 70.A OD1 no hydrogen 2.589 N/A GLU 105.A N ASP 103.A OD1 no hydrogen 3.051 N/A GLU 107.A N SER 104.A O no hydrogen 2.955 N/A LEU 108.A N GLU 105.A O no hydrogen 3.062 N/A GLU 110.A N VAL 106.A O no hydrogen 2.964 N/A LEU 111.A N GLU 107.A O no hydrogen 2.915 N/A GLU 112.A N LEU 108.A O no hydrogen 2.821 N/A ILE 113.A N VAL 109.A O no hydrogen 2.897 N/A ARG 114.A N GLU 110.A O no hydrogen 2.943 N/A ARG 114.A NH1 GLY 124.A O no hydrogen 2.767 N/A ARG 114.A NH1 THR 127.A O no hydrogen 2.801 N/A GLU 115.A N LEU 111.A O no hydrogen 3.056 N/A LEU 116.A N GLU 112.A O no hydrogen 2.983 N/A LEU 117.A N ILE 113.A O no hydrogen 2.865 N/A THR 118.A N ARG 114.A O no hydrogen 3.018 N/A THR 118.A OG1 ARG 114.A O no hydrogen 2.936 N/A GLU 119.A N GLU 115.A O no hydrogen 2.950 N/A PHE 120.A N LEU 116.A O no hydrogen 3.014 N/A PHE 120.A N LEU 117.A O no hydrogen 3.144 N/A GLY 121.A N THR 118.A O no hydrogen 3.044 N/A TYR 122.A N LEU 117.A O no hydrogen 2.982 N/A TYR 122.A OH VAL 88.A O no hydrogen 2.749 N/A GLU 126.A N LYS 123.A O no hydrogen 3.131 N/A GLU 126.A N GLU 125.A OE1 no hydrogen 2.898 N/A THR 127.A OG1 LYS 123.A O no hydrogen 2.901 N/A ILE 130.A N VAL 93.A O no hydrogen 2.788 N/A GLY 132.A N VAL 95.A O no hydrogen 3.094 N/A SER 133.A N LEU 145.A O no hydrogen 3.039 N/A ALA 134.A N ASN 96.A OD1 no hydrogen 2.858 N/A CYS 136.A N SER 133.A OG no hydrogen 3.248 N/A CYS 136.A SG ASP 99.A OD2 no hydrogen 3.601 N/A CYS 136.A SG SER 133.A OG no hydrogen 3.191 N/A ALA 137.A N SER 133.A O no hydrogen 3.288 N/A LEU 138.A N ALA 134.A O no hydrogen 3.052 N/A GLU 139.A N LEU 135.A O no hydrogen 3.022 N/A ARG 141.A N CYS 136.A O no hydrogen 2.917 N/A ARG 141.A NH1 GLU 139.A OE1 no hydrogen 2.977 N/A LEU 145.A N ASP 142.A O no hydrogen 3.338 N/A LEU 145.A N ASP 142.A OD1 no hydrogen 3.437 N/A GLY 146.A N ASP 142.A O no hydrogen 2.844 N/A LYS 148.A N PRO 143.A O no hydrogen 2.697 N/A SER 149.A OG TYR 94.A OH no hydrogen 2.865 N/A SER 149.A OG LEU 145.A O no hydrogen 2.733 N/A SER 149.A OG GLY 146.A O no hydrogen 2.764 N/A VAL 150.A N GLY 146.A O no hydrogen 3.114 N/A GLN 151.A N LEU 147.A O no hydrogen 2.900 N/A LYS 152.A N LYS 148.A O no hydrogen 2.966 N/A LEU 153.A N SER 149.A O no hydrogen 2.876 N/A LEU 154.A N VAL 150.A O no hydrogen 2.973 N/A ASP 155.A N GLN 151.A O no hydrogen 2.985 N/A ALA 156.A N LYS 152.A O no hydrogen 2.945 N/A VAL 157.A N LEU 153.A O no hydrogen 2.847 N/A ASP 158.A N LEU 154.A O no hydrogen 2.940 N/A THR 159.A N ASP 155.A O no hydrogen 3.061 N/A THR 159.A OG1 ASP 155.A O no hydrogen 3.279 N/A TYR 160.A N ALA 156.A O no hydrogen 2.821 N/A TYR 160.A OH GLU 126.A OE2 no hydrogen 2.825 N/A ILE 161.A N VAL 157.A O no hydrogen 3.172 N/A ASP 167.A N THR 165.A OG1 no hydrogen 3.101 N/A LYS 170.A N ASP 167.A O no hydrogen 2.803 N/A VAL 176.A N LEU 251.A O no hydrogen 2.912 N/A GLU 177.A N THR 190.A O no hydrogen 2.724 N/A SER 178.A OG THR 190.A OG1 no hydrogen 2.411 N/A TYR 180.A N VAL 188.A O no hydrogen 2.945 N/A ILE 182.A N GLY 186.A O no hydrogen 2.798 N/A ARG 185.A N ILE 182.A O no hydrogen 2.855 N/A ARG 185.A NH1 GLU 221.A OE1 no hydrogen 3.309 N/A GLY 186.A N ILE 182.A O no hydrogen 3.013 N/A THR 187.A OG1 LEU 242.A O no hydrogen 2.435 N/A VAL 188.A N TYR 180.A O no hydrogen 2.656 N/A VAL 189.A N ALA 237.A O no hydrogen 2.916 N/A THR 190.A N SER 178.A O no hydrogen 2.855 N/A THR 190.A OG1 SER 178.A O no hydrogen 3.539 N/A THR 190.A OG1 SER 178.A OG no hydrogen 2.411 N/A GLY 191.A N LEU 235.A O no hydrogen 3.064 N/A LEU 193.A N ASP 233.A O no hydrogen 3.110 N/A GLU 194.A N LEU 173.A O no hydrogen 2.871 N/A ARG 195.A NE PRO 171.A O no hydrogen 2.841 N/A ARG 195.A NH1 GLU 324.A OE1 no hydrogen 3.405 N/A GLY 196.A N ASP 167.A O no hydrogen 3.130 N/A LEU 198.A N ALA 229.A O no hydrogen 3.101 N/A LYS 199.A N ASP 202.A OD2 no hydrogen 2.997 N/A LYS 200.A N ASP 227.A O no hydrogen 2.665 N/A LYS 200.A NZ ASP 227.A OD1 no hydrogen 3.549 N/A ASP 202.A N LYS 199.A O no hydrogen 2.801 N/A CYS 204.A N THR 215.A O no hydrogen 2.938 N/A PHE 206.A N ILE 213.A O no hydrogen 2.899 N/A LEU 207.A N VAL 252.A O no hydrogen 2.769 N/A ASN 212.A ND2 GLU 205.A OE2 no hydrogen 2.845 N/A THR 215.A N CYS 204.A O no hydrogen 3.365 N/A THR 215.A OG1 ARG 240.A O no hydrogen 2.710 N/A VAL 216.A N THR 215.A OG1 no hydrogen 2.414 N/A VAL 217.A N ASP 202.A O no hydrogen 2.942 N/A THR 218.A N LEU 238.A O no hydrogen 2.869 N/A THR 218.A OG1 LEU 238.A O no hydrogen 3.227 N/A GLU 221.A N GLY 236.A O no hydrogen 2.809 N/A SER 225.A OG GLU 221.A OE2 no hydrogen 2.654 N/A LEU 226.A N ILE 220.A O no hydrogen 2.881 N/A ARG 228.A NH2 GLU 230.A OE1 no hydrogen 3.307 N/A ALA 229.A N LEU 198.A O no hydrogen 2.724 N/A GLU 230.A N ASP 233.A OD2 no hydrogen 2.892 N/A GLY 232.A N LEU 193.A O no hydrogen 2.844 N/A ASP 233.A N GLU 230.A O no hydrogen 2.905 N/A LEU 235.A N GLY 191.A O no hydrogen 2.829 N/A GLY 236.A N GLU 221.A O no hydrogen 2.887 N/A ALA 237.A N VAL 189.A O no hydrogen 2.771 N/A LEU 238.A N GLY 219.A O no hydrogen 2.738 N/A VAL 239.A N THR 187.A O no hydrogen 2.829 N/A ARG 240.A N VAL 216.A O no hydrogen 3.029 N/A LYS 243.A N ASP 246.A OD2 no hydrogen 2.990 N/A ASP 246.A N LYS 243.A O no hydrogen 2.885 N/A LEU 247.A N ARG 244.A O no hydrogen 3.084 N/A ARG 248.A NH1 ARG 249.A O no hydrogen 2.741 N/A ARG 249.A NE GLU 177.A OE2 no hydrogen 2.463 N/A GLY 250.A N VAL 176.A O no hydrogen 3.100 N/A LEU 251.A N ARG 248.A O no hydrogen 3.479 N/A VAL 252.A N LEU 207.A O no hydrogen 2.933 N/A LYS 254.A N PHE 172.A O no hydrogen 3.259 N/A GLY 256.A N GLU 205.A OE1 no hydrogen 2.575 N/A SER 257.A N LYS 254.A O no hydrogen 3.005 N/A SER 257.A OG LYS 254.A O no hydrogen 2.733 N/A HIS 261.A ND1 LEU 323.A O no hydrogen 2.854 N/A GLN 262.A NE2 LEU 318.A O no hydrogen 2.905 N/A LYS 263.A NZ ASP 352.A OD2 no hydrogen 3.002 N/A VAL 264.A N LEU 316.A O no hydrogen 2.916 N/A GLU 265.A N ASP 345.A O no hydrogen 3.110 N/A ALA 266.A N LEU 314.A O no hydrogen 2.847 N/A GLN 267.A N LEU 342.A O no hydrogen 3.012 N/A VAL 268.A N LEU 312.A O no hydrogen 2.773 N/A TYR 269.A N THR 340.A O no hydrogen 2.808 N/A TYR 269.A OH GLU 275.A OE1 no hydrogen 2.432 N/A TYR 269.A OH GLU 275.A OE2 no hydrogen 3.356 N/A ILE 270.A N GLU 310.A O no hydrogen 2.758 N/A LEU 271.A N ILE 338.A O no hydrogen 2.993 N/A THR 272.A N GLU 275.A OE1 no hydrogen 3.138 N/A THR 272.A OG1 GLU 274.A OE1 no hydrogen 3.566 N/A GLU 275.A N THR 272.A O no hydrogen 3.074 N/A GLU 275.A N THR 272.A OG1 no hydrogen 3.214 N/A GLY 276.A N LYS 273.A O no hydrogen 2.993 N/A GLY 277.A N THR 272.A O no hydrogen 2.727 N/A HIS 285.A N ILE 298.A O no hydrogen 2.977 N/A VAL 288.A N ARG 332.A O no hydrogen 2.842 N/A SER 290.A N TRP 293.A O no hydrogen 3.051 N/A SER 290.A OG ARG 328.A O no hydrogen 2.970 N/A THR 292.A OG1 VAL 176.A O no hydrogen 3.062 N/A TRP 293.A N SER 290.A O no hydrogen 2.810 N/A CYS 296.A N PRO 287.A O no hydrogen 3.176 N/A CYS 296.A SG PRO 287.A O no hydrogen 3.657 N/A ARG 297.A N ILE 317.A O no hydrogen 2.790 N/A ILE 298.A N PHE 286.A O no hydrogen 3.109 N/A ILE 299.A N THR 315.A O no hydrogen 2.727 N/A LEU 300.A N SER 284.A OG no hydrogen 3.310 N/A LYS 304.A N PRO 301.A O no hydrogen 3.136 N/A ALA 307.A N PHE 282.A O no hydrogen 3.381 N/A GLY 309.A N ILE 270.A O no hydrogen 2.682 N/A LEU 312.A N VAL 268.A O no hydrogen 2.914 N/A LEU 314.A N ALA 266.A O no hydrogen 2.864 N/A THR 315.A N ILE 299.A O no hydrogen 3.252 N/A LEU 316.A N VAL 264.A O no hydrogen 2.696 N/A ILE 317.A N ARG 297.A O no hydrogen 2.838 N/A LEU 318.A N GLN 262.A O no hydrogen 2.749 N/A ARG 319.A N ALA 295.A O no hydrogen 2.932 N/A GLU 324.A N GLN 327.A OE1 no hydrogen 2.873 N/A GLY 326.A N VAL 343.A O no hydrogen 3.055 N/A GLN 327.A N GLU 324.A O no hydrogen 3.155 N/A GLN 327.A NE2 SER 290.A OG no hydrogen 2.716 N/A GLN 327.A NE2 ILE 322.A O no hydrogen 2.978 N/A ARG 328.A NE ILE 54.A O no hydrogen 2.976 N/A PHE 329.A N GLY 341.A O no hydrogen 3.024 N/A THR 330.A N PHE 289.A O no hydrogen 2.972 N/A LEU 331.A N GLY 339.A O no hydrogen 2.996 N/A ARG 332.A N VAL 288.A O no hydrogen 2.973 N/A ASP 333.A N ARG 336.A O no hydrogen 2.997 N/A ARG 336.A NE GLY 276.A O no hydrogen 3.289 N/A ILE 338.A N LEU 331.A O no hydrogen 2.788 N/A THR 340.A N TYR 269.A O no hydrogen 2.893 N/A GLY 341.A N PHE 329.A O no hydrogen 2.858 N/A LEU 342.A N GLN 267.A O no hydrogen 2.995 N/A VAL 343.A N GLN 327.A O no hydrogen 2.898 N/A THR 344.A N GLU 265.A O no hydrogen 2.796 N/A ASP 345.A N GLU 265.A O no hydrogen 3.161 N/A THR 349.A OG1 ASP 352.A OD2 no hydrogen 2.870 N/A ASP 352.A N THR 349.A OG1 no hydrogen 3.335 N/A LYS 353.A N THR 349.A O no hydrogen 3.026 N/A LYS 353.A N GLU 350.A O no hydrogen 2.876 N/A LYS 353.A NZ GLU 350.A OE2 no hydrogen 3.327 N/A ASN 354.A N GLU 350.A O no hydrogen 2.926 N/A ASN 354.A N GLU 351.A O no hydrogen 3.040 N/A