Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3whq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 15.A OG1 SER 21.A OG no hydrogen 2.795 N/A HIS 17.A N THR 15.A OG1 no hydrogen 3.115 N/A SER 21.A N HIS 17.A O no hydrogen 2.922 N/A SER 21.A OG THR 15.A OG1 no hydrogen 2.795 N/A SER 21.A OG HIS 17.A O no hydrogen 3.486 N/A GLU 22.A N PRO 18.A O no hydrogen 2.875 N/A ILE 23.A N LEU 19.A O no hydrogen 3.081 N/A GLY 24.A N ALA 20.A O no hydrogen 2.941 N/A ALA 25.A N SER 21.A O no hydrogen 2.860 N/A ASP 26.A N GLU 22.A O no hydrogen 2.963 N/A VAL 27.A N ILE 23.A O no hydrogen 3.145 N/A LEU 28.A N GLY 24.A O no hydrogen 3.226 N/A LYS 29.A N ALA 25.A O no hydrogen 2.886 N/A LYS 30.A N ASP 26.A O no hydrogen 2.970 N/A LYS 30.A N VAL 27.A O no hydrogen 3.245 N/A GLY 31.A N LEU 28.A O no hydrogen 3.070 N/A GLY 32.A N VAL 27.A O no hydrogen 2.920 N/A ASN 33.A N ASP 36.A OD2 no hydrogen 2.907 N/A ASN 33.A ND2 TRP 125.A O no hydrogen 2.844 N/A ASP 36.A N ASN 33.A OD1 no hydrogen 2.844 N/A ALA 37.A N ASN 33.A O no hydrogen 2.857 N/A ALA 38.A N ALA 34.A O no hydrogen 2.860 N/A VAL 39.A N ILE 35.A O no hydrogen 2.964 N/A ALA 40.A N ASP 36.A O no hydrogen 3.078 N/A ILE 41.A N ALA 37.A O no hydrogen 2.802 N/A GLN 42.A N ALA 38.A O no hydrogen 2.939 N/A GLN 42.A NE2 GLN 42.A O no hydrogen 2.918 N/A GLN 42.A NE2 SER 53.A OG no hydrogen 3.040 N/A PHE 43.A N VAL 39.A O no hydrogen 3.245 N/A ALA 44.A N ALA 40.A O no hydrogen 2.985 N/A LEU 45.A N ILE 41.A O no hydrogen 2.860 N/A ASN 46.A N GLN 42.A O no hydrogen 2.958 N/A VAL 47.A N PHE 43.A O no hydrogen 3.325 N/A VAL 47.A N ALA 44.A O no hydrogen 3.238 N/A THR 48.A N ALA 44.A O no hydrogen 2.888 N/A THR 48.A OG1 ALA 44.A O no hydrogen 2.788 N/A GLU 49.A N LEU 45.A O no hydrogen 2.846 N/A MET 52.A N GLU 49.A O no hydrogen 3.114 N/A GLY 57.A N GLY 54.A O no hydrogen 2.931 N/A GLY 59.A N SER 76.A OG no hydrogen 2.892 N/A MET 61.A N ILE 74.A O no hydrogen 2.997 N/A VAL 63.A N THR 72.A O no hydrogen 2.807 N/A ASP 65.A N ASP 70.A O no hydrogen 2.881 N/A LYS 67.A N ASP 65.A OD1 no hydrogen 3.047 N/A THR 68.A N ASP 65.A OD1 no hydrogen 3.294 N/A LYS 69.A N ASP 65.A O no hydrogen 2.713 N/A LYS 69.A NZ GLY 66.A O no hydrogen 3.332 N/A ASP 70.A N THR 68.A OG1 no hydrogen 3.316 N/A THR 72.A N VAL 63.A O no hydrogen 2.924 N/A ILE 73.A N ASP 237.A O no hydrogen 3.077 N/A ILE 74.A N MET 61.A O no hydrogen 2.788 N/A ASP 75.A N THR 235.A O no hydrogen 2.800 N/A SER 76.A N GLY 59.A O no hydrogen 2.835 N/A SER 76.A OG GLY 59.A O no hydrogen 3.121 N/A ARG 77.A N ASP 75.A OD1 no hydrogen 2.983 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.693 N/A ARG 79.A NH1 GLU 307.A OE1 no hydrogen 2.941 N/A ARG 79.A NH2 GLU 307.A OE1 no hydrogen 3.292 N/A ARG 79.A NH2 GLU 307.A OE2 no hydrogen 2.940 N/A ALA 82.A N ASP 228.A OD1 no hydrogen 2.912 N/A ALA 84.A N PRO 81.A O no hydrogen 3.085 N/A THR 85.A OG1 ASP 87.A OD1 no hydrogen 2.954 N/A MET 88.A N THR 85.A O no hydrogen 3.060 N/A LEU 90.A N ASP 87.A O no hydrogen 3.074 N/A ASP 91.A N LYS 95.A O no hydrogen 2.779 N/A ASN 93.A N ASP 91.A OD1 no hydrogen 2.882 N/A GLY 94.A N ASP 91.A O no hydrogen 3.002 N/A LYS 95.A N ASP 91.A OD1 no hydrogen 2.935 N/A ILE 97.A N PHE 89.A O no hydrogen 2.854 N/A GLU 101.A N PRO 98.A O no hydrogen 2.982 N/A ARG 102.A N PRO 98.A O no hydrogen 2.906 N/A ARG 102.A NE ILE 97.A O no hydrogen 2.868 N/A ARG 102.A NH2 ILE 97.A O no hydrogen 2.707 N/A VAL 103.A N PHE 99.A O no hydrogen 3.068 N/A THR 104.A N GLU 101.A O no hydrogen 3.256 N/A THR 104.A OG1 GLU 101.A O no hydrogen 3.042 N/A LYS 105.A N ARG 102.A O no hydrogen 3.233 N/A LYS 105.A NZ GLU 101.A O no hydrogen 2.981 N/A LYS 105.A NZ GLU 101.A OE1 no hydrogen 3.184 N/A LYS 105.A NZ THR 104.A OG1 no hydrogen 3.198 N/A GLY 106.A N PHE 220.A O no hydrogen 2.786 N/A ALA 108.A N LYS 105.A O no hydrogen 2.960 N/A VAL 109.A N GLY 106.A O no hydrogen 3.205 N/A VAL 111.A N ARG 79.A O no hydrogen 2.833 N/A GLY 113.A N GLY 57.A O no hydrogen 2.811 N/A THR 114.A N GLY 57.A O no hydrogen 3.033 N/A THR 114.A OG1 GLY 54.A O no hydrogen 3.174 N/A LYS 116.A N TYR 205.A OH no hydrogen 3.397 N/A LYS 116.A NZ GLU 119.A OE1 no hydrogen 3.450 N/A GLY 117.A N GLY 113.A O no hydrogen 2.934 N/A LEU 118.A N THR 114.A O no hydrogen 2.958 N/A GLU 119.A N LEU 115.A O no hydrogen 3.012 N/A GLU 120.A N LYS 116.A O no hydrogen 2.972 N/A ALA 121.A N GLY 117.A O no hydrogen 2.888 N/A LEU 122.A N LEU 118.A O no hydrogen 3.009 N/A ASP 123.A N GLU 119.A O no hydrogen 2.818 N/A LYS 124.A N GLU 120.A O no hydrogen 2.892 N/A LYS 124.A NZ GLU 120.A OE2 no hydrogen 3.307 N/A TRP 125.A N ALA 121.A O no hydrogen 2.882 N/A TRP 125.A NE1 ASP 65.A OD2 no hydrogen 2.907 N/A GLY 126.A N LEU 122.A O no hydrogen 2.873 N/A THR 127.A N ASP 36.A OD1 no hydrogen 2.802 N/A THR 127.A N ASP 36.A OD2 no hydrogen 3.404 N/A THR 127.A OG1 ASP 36.A OD2 no hydrogen 2.518 N/A ARG 128.A N ASP 36.A OD1 no hydrogen 3.088 N/A ARG 128.A NH1 THR 127.A O no hydrogen 3.015 N/A ARG 128.A NH2 LYS 30.A O no hydrogen 2.956 N/A SER 129.A N GLN 132.A OE1 no hydrogen 2.848 N/A SER 129.A OG GLN 132.A OE1 no hydrogen 3.230 N/A LYS 131.A NZ ARG 197.A O no hydrogen 2.673 N/A GLN 132.A N SER 129.A OG no hydrogen 3.159 N/A LEU 133.A N SER 129.A O no hydrogen 3.070 N/A ILE 134.A N MET 130.A O no hydrogen 2.850 N/A THR 135.A OG1 LYS 131.A O no hydrogen 2.704 N/A SER 137.A N ILE 134.A O no hydrogen 2.994 N/A ILE 138.A N ILE 134.A O no hydrogen 3.012 N/A LYS 139.A N THR 135.A O no hydrogen 3.157 N/A LEU 140.A N PRO 136.A O no hydrogen 3.129 N/A ALA 141.A N SER 137.A O no hydrogen 2.848 N/A GLU 142.A N ILE 138.A O no hydrogen 2.848 N/A LYS 143.A N LYS 139.A O no hydrogen 2.853 N/A GLY 144.A N LEU 140.A O no hydrogen 2.968 N/A PHE 145.A N LEU 184.A O no hydrogen 3.324 N/A ILE 147.A N ASP 182.A O no hydrogen 2.869 N/A VAL 150.A N ASP 148.A OD2 no hydrogen 3.471 N/A LEU 151.A N ASP 148.A OD1 no hydrogen 3.096 N/A ALA 152.A N ASP 148.A O no hydrogen 3.010 N/A GLU 153.A N SER 149.A O no hydrogen 2.968 N/A ALA 154.A N VAL 150.A O no hydrogen 3.145 N/A ILE 155.A N LEU 151.A O no hydrogen 3.158 N/A SER 156.A OG ALA 152.A O no hydrogen 3.132 N/A SER 156.A OG GLU 153.A O no hydrogen 2.266 N/A ASP 157.A N GLU 153.A O no hydrogen 3.038 N/A TYR 158.A N ALA 154.A O no hydrogen 2.902 N/A LYS 161.A N GLU 160.A OE1 no hydrogen 3.438 N/A LEU 162.A N TYR 158.A O no hydrogen 3.300 N/A SER 163.A N GLN 159.A O no hydrogen 2.907 N/A SER 163.A OG GLN 159.A O no hydrogen 3.505 N/A SER 163.A OG GLU 160.A O no hydrogen 2.606 N/A ARG 164.A N LYS 161.A O no hydrogen 3.397 N/A THR 165.A N LEU 162.A O no hydrogen 3.237 N/A ALA 167.A N THR 165.A OG1 no hydrogen 3.008 N/A LYS 168.A N THR 165.A O no hydrogen 3.083 N/A ASP 169.A N ALA 166.A O no hydrogen 3.132 N/A VAL 170.A N ALA 167.A O no hydrogen 3.072 N/A PHE 171.A N ALA 167.A O no hydrogen 3.048 N/A LEU 172.A N LYS 168.A O no hydrogen 2.826 N/A GLY 175.A N LEU 172.A O no hydrogen 3.071 N/A GLU 176.A N PRO 173.A O no hydrogen 3.150 N/A LEU 178.A N PHE 171.A O no hydrogen 3.259 N/A LYS 179.A N ASP 182.A OD2 no hydrogen 2.821 N/A ASP 182.A N LYS 179.A O no hydrogen 2.789 N/A LEU 184.A N PHE 145.A O no hydrogen 2.833 N/A GLN 186.A N ALA 141.A O no hydrogen 2.775 N/A GLN 186.A NE2 VAL 47.A O no hydrogen 2.937 N/A ALA 190.A N GLN 186.A O no hydrogen 2.931 N/A LYS 191.A N LYS 187.A O no hydrogen 2.937 N/A THR 192.A N ASP 188.A O no hydrogen 2.918 N/A THR 192.A OG1 ASP 188.A O no hydrogen 3.278 N/A PHE 193.A N LEU 189.A O no hydrogen 2.887 N/A LYS 194.A N ALA 190.A O no hydrogen 2.894 N/A LYS 194.A NZ GLU 142.A OE1 no hydrogen 2.715 N/A LEU 195.A N LYS 191.A O no hydrogen 2.933 N/A ILE 196.A N THR 192.A O no hydrogen 2.986 N/A ARG 197.A N PHE 193.A O no hydrogen 2.768 N/A ARG 197.A NH1 THR 135.A OG1 no hydrogen 2.983 N/A SER 198.A N LYS 194.A O no hydrogen 2.939 N/A SER 198.A OG LYS 194.A O no hydrogen 3.498 N/A SER 198.A OG LEU 195.A O no hydrogen 3.192 N/A LYS 199.A N LEU 195.A O no hydrogen 2.795 N/A GLY 200.A N ILE 196.A O no hydrogen 2.817 N/A THR 201.A OG1 GLU 119.A OE1 no hydrogen 2.832 N/A THR 201.A OG1 GLU 119.A OE2 no hydrogen 3.385 N/A ALA 203.A N GLY 200.A O no hydrogen 3.034 N/A PHE 204.A N THR 201.A O no hydrogen 3.006 N/A TYR 205.A N THR 201.A O no hydrogen 3.072 N/A TYR 205.A OH PRO 112.A O no hydrogen 2.578 N/A LYS 206.A N ASP 202.A O no hydrogen 3.064 N/A LYS 211.A N GLY 207.A O no hydrogen 3.045 N/A LYS 211.A NZ ASP 215.A OD2 no hydrogen 2.903 N/A THR 212.A N LYS 208.A O no hydrogen 2.912 N/A THR 212.A OG1 LYS 208.A O no hydrogen 2.725 N/A LEU 213.A N PHE 209.A O no hydrogen 2.759 N/A SER 214.A N ALA 210.A O no hydrogen 3.006 N/A SER 214.A OG ALA 210.A O no hydrogen 2.913 N/A SER 214.A OG LYS 211.A O no hydrogen 3.331 N/A ASP 215.A N LYS 211.A O no hydrogen 2.955 N/A THR 216.A N THR 212.A O no hydrogen 3.010 N/A THR 216.A OG1 THR 212.A O no hydrogen 2.892 N/A VAL 217.A N LEU 213.A O no hydrogen 2.998 N/A GLN 218.A N SER 214.A O no hydrogen 2.981 N/A GLN 218.A NE2 MET 224.A O no hydrogen 2.667 N/A ASP 219.A N ASP 215.A O no hydrogen 2.794 N/A PHE 220.A N THR 216.A O no hydrogen 3.056 N/A PHE 220.A N VAL 217.A O no hydrogen 3.040 N/A GLY 221.A N GLN 218.A O no hydrogen 2.965 N/A GLY 222.A N VAL 217.A O no hydrogen 2.921 N/A THR 225.A N ASP 228.A OD2 no hydrogen 2.852 N/A LYS 227.A NZ GLU 230.A OE2 no hydrogen 2.776 N/A ASP 228.A N THR 225.A OG1 no hydrogen 3.121 N/A LEU 229.A N THR 225.A O no hydrogen 3.415 N/A GLU 230.A N GLU 226.A O no hydrogen 2.973 N/A ASN 231.A N LYS 227.A O no hydrogen 2.867 N/A TYR 232.A N LEU 229.A O no hydrogen 3.253 N/A TYR 232.A OH ARG 77.A O no hydrogen 2.819 N/A ILE 234.A N ASP 233.A OD1 no hydrogen 2.754 N/A THR 235.A N ASP 75.A O no hydrogen 3.136 N/A ASP 237.A N ILE 73.A O no hydrogen 2.869 N/A ILE 240.A N THR 251.A O no hydrogen 2.988 N/A GLY 242.A N ILE 249.A O no hydrogen 2.978 N/A TYR 244.A N TYR 247.A O no hydrogen 2.863 N/A TYR 247.A N TYR 244.A O no hydrogen 2.873 N/A ILE 249.A N GLY 242.A O no hydrogen 2.773 N/A THR 251.A N ILE 240.A O no hydrogen 2.968 N/A THR 252.A N THR 251.A OG1 no hydrogen 2.903 N/A THR 252.A OG1 SER 256.A OG no hydrogen 3.389 N/A SER 256.A N PRO 253.A O no hydrogen 2.962 N/A SER 256.A OG THR 252.A OG1 no hydrogen 3.389 N/A GLY 258.A N SER 256.A OG no hydrogen 2.935 N/A PHE 261.A N SER 257.A O no hydrogen 3.267 N/A LEU 262.A N GLY 258.A O no hydrogen 2.895 N/A LEU 263.A N GLY 259.A O no hydrogen 3.046 N/A GLN 264.A N ILE 260.A O no hydrogen 2.806 N/A GLN 264.A NE2 ASP 298.A OD2 no hydrogen 3.217 N/A GLN 264.A NE2 LEU 316.A O no hydrogen 3.051 N/A MET 265.A N PHE 261.A O no hydrogen 2.866 N/A LEU 266.A N LEU 262.A O no hydrogen 2.999 N/A LYS 267.A N LEU 263.A O no hydrogen 2.898 N/A ILE 268.A N GLN 264.A O no hydrogen 2.930 N/A LEU 269.A N MET 265.A O no hydrogen 2.806 N/A ASP 270.A N LEU 266.A O no hydrogen 2.775 N/A PHE 272.A N LEU 269.A O no hydrogen 2.936 N/A ASN 273.A N ASP 270.A O no hydrogen 3.361 N/A GLN 276.A N ASN 273.A O no hydrogen 3.096 N/A GLN 276.A NE2 PHE 272.A O no hydrogen 2.875 N/A GLN 276.A NE2 ASN 273.A O no hydrogen 3.092 N/A TYR 277.A N LEU 274.A O no hydrogen 2.815 N/A ARG 280.A N ASP 278.A OD2 no hydrogen 3.014 N/A SER 281.A N ASP 278.A O no hydrogen 2.836 N/A SER 281.A OG ASP 278.A O no hydrogen 2.726 N/A GLU 283.A N GLU 283.A OE2 no hydrogen 2.853 N/A LYS 284.A N SER 281.A OG no hydrogen 3.285 N/A LYS 284.A NZ VAL 279.A O no hydrogen 2.579 N/A TYR 285.A N SER 281.A O no hydrogen 3.438 N/A GLN 286.A N TRP 282.A O no hydrogen 2.840 N/A GLN 286.A NE2 ASN 330.A O no hydrogen 2.891 N/A LEU 287.A N GLU 283.A O no hydrogen 3.095 N/A LEU 288.A N LYS 284.A O no hydrogen 2.989 N/A ALA 289.A N TYR 285.A O no hydrogen 2.867 N/A GLU 290.A N GLN 286.A O no hydrogen 2.941 N/A THR 291.A N LEU 287.A O no hydrogen 3.180 N/A THR 291.A OG1 LEU 287.A O no hydrogen 2.841 N/A MET 292.A N LEU 288.A O no hydrogen 3.029 N/A HIS 293.A N ALA 289.A O no hydrogen 3.115 N/A LEU 294.A N GLU 290.A O no hydrogen 3.334 N/A SER 295.A N THR 291.A O no hydrogen 2.925 N/A SER 295.A OG GLN 264.A OE1 no hydrogen 2.666 N/A SER 295.A OG THR 291.A O no hydrogen 3.529 N/A TYR 296.A N MET 292.A O no hydrogen 2.800 N/A ALA 297.A N HIS 293.A O no hydrogen 3.172 N/A ASP 298.A N LEU 294.A O no hydrogen 3.081 N/A ARG 299.A N SER 295.A O no hydrogen 2.870 N/A ARG 299.A NH1 TYR 296.A O no hydrogen 3.551 N/A ALA 300.A N TYR 296.A O no hydrogen 3.053 N/A SER 301.A N ALA 297.A O no hydrogen 3.237 N/A SER 301.A N ASP 298.A O no hydrogen 3.152 N/A SER 301.A OG ALA 297.A O no hydrogen 3.531 N/A TYR 302.A N ASP 298.A O no hydrogen 2.921 N/A TYR 302.A OH GLY 341.A O no hydrogen 2.635 N/A ALA 303.A N ARG 299.A O no hydrogen 3.197 N/A GLU 307.A N ASP 305.A OD1 no hydrogen 3.157 N/A PHE 308.A N ASP 305.A O no hydrogen 2.890 N/A VAL 309.A N ASP 305.A O no hydrogen 2.972 N/A ASN 310.A N ASN 352.A OD1 no hydrogen 2.839 N/A LEU 313.A N VAL 311.A O no hydrogen 2.761 N/A LYS 314.A NZ GLU 348.A OE1 no hydrogen 2.932 N/A LEU 316.A N PRO 312.A O no hydrogen 2.903 N/A LEU 317.A N LEU 313.A O no hydrogen 3.206 N/A HIS 318.A N GLY 315.A O no hydrogen 3.184 N/A ASP 320.A N HIS 318.A ND1 no hydrogen 3.093 N/A TYR 321.A OH ASP 298.A OD2 no hydrogen 2.528 N/A ILE 322.A N HIS 318.A O no hydrogen 2.922 N/A LYS 323.A N PRO 319.A O no hydrogen 3.035 N/A GLU 324.A N ASP 320.A O no hydrogen 3.163 N/A ARG 325.A N TYR 321.A O no hydrogen 3.136 N/A ARG 325.A NH1 LYS 339.A O no hydrogen 3.312 N/A ARG 325.A NH2 LEU 294.A O no hydrogen 3.090 N/A ARG 325.A NH2 LYS 339.A O no hydrogen 2.877 N/A GLN 326.A N ILE 322.A O no hydrogen 2.899 N/A GLN 327.A N LYS 323.A O no hydrogen 3.038 N/A LEU 328.A N ARG 325.A O no hydrogen 2.999 N/A ILE 329.A N GLN 326.A O no hydrogen 3.030 N/A ASN 335.A N GLU 290.A OE1 no hydrogen 2.795 N/A ASN 335.A ND2 LEU 328.A O no hydrogen 3.083 N/A LYS 336.A NZ VAL 334.A O no hydrogen 3.248 N/A LYS 339.A NZ LYS 337.A O no hydrogen 2.680 N/A GLY 341.A N ASP 298.A OD1 no hydrogen 2.770 N/A TRP 344.A N ASP 342.A OD1 no hydrogen 3.140 N/A LYS 345.A N ASP 342.A O no hydrogen 3.262 N/A LYS 345.A NZ GLU 324.A OE1 no hydrogen 3.169 N/A TYR 346.A N PRO 343.A O no hydrogen 2.972 N/A TYR 346.A OH GLU 324.A OE1 no hydrogen 2.223 N/A GLU 348.A N GLU 348.A OE1 no hydrogen 2.638 N/A ASN 352.A ND2 PHE 308.A O no hydrogen 3.024 N/A TYR 353.A OH ASN 310.A O no hydrogen 2.884 N/A