Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4whz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 16.A O no hydrogen 2.978 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.739 N/A SER 6.A OG THR 15.A OG1 no hydrogen 2.697 N/A VAL 7.A N PHE 14.A O no hydrogen 2.990 N/A VAL 9.A N SER 12.A O no hydrogen 2.843 N/A SER 12.A N VAL 9.A O no hydrogen 3.024 N/A THR 13.A OG1 GLU 8.A OE1 no hydrogen 2.773 N/A THR 13.A OG1 GLU 8.A OE2 no hydrogen 3.063 N/A PHE 14.A N VAL 7.A O no hydrogen 2.803 N/A THR 15.A N TYR 99.A OH no hydrogen 2.934 N/A THR 15.A OG1 SER 6.A OG no hydrogen 2.697 N/A VAL 16.A N TYR 5.A O no hydrogen 2.987 N/A LYS 18.A N GLN 3.A O no hydrogen 3.124 N/A LYS 18.A NZ ASN 2.A O no hydrogen 2.813 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.989 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.325 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.980 N/A TYR 20.A N LEU 17.A O no hydrogen 3.068 N/A GLN 21.A N TYR 38.A O no hydrogen 2.776 N/A LYS 24.A N ALA 36.A O no hydrogen 2.960 N/A ILE 26.A N VAL 34.A O no hydrogen 3.064 N/A SER 28.A OG GLY 32.A O no hydrogen 2.781 N/A GLN 31.A NE2 HIS 60.A O no hydrogen 3.642 N/A VAL 34.A N GLY 27.A O no hydrogen 3.184 N/A CYS 35.A N.A ILE 48.A O no hydrogen 2.948 N/A CYS 35.A N.B ILE 48.A O no hydrogen 2.909 N/A CYS 35.A SG.A ALA 36.A O no hydrogen 3.994 N/A CYS 35.A SG.A ILE 48.A O no hydrogen 3.882 N/A ALA 36.A N LYS 24.A O no hydrogen 2.783 N/A ALA 37.A N VAL 46.A O no hydrogen 2.889 N/A TYR 38.A N GLN 21.A O no hydrogen 2.822 N/A TYR 38.A OH ASP 43.A OD1 no hydrogen 2.680 N/A ASP 39.A N ARG 44.A O no hydrogen 2.757 N/A ALA 40.A N ARG 19.A O no hydrogen 2.848 N/A VAL 41.A N ASP 39.A OD1 no hydrogen 3.065 N/A LEU 42.A N ASP 39.A OD1 no hydrogen 3.311 N/A ARG 44.A N ASP 39.A O no hydrogen 3.223 N/A VAL 46.A N ALA 37.A O no hydrogen 2.792 N/A ALA 47.A N MET 102.A O no hydrogen 2.855 N/A ILE 48.A N CYS 35.A O.A no hydrogen 2.764 N/A ILE 48.A N CYS 35.A O.B no hydrogen 2.741 N/A LYS 49.A N LEU 100.A O no hydrogen 2.804 N/A LYS 50.A N ILE 33.A O no hydrogen 3.097 N/A LYS 50.A NZ THR 13.A O no hydrogen 2.706 N/A LEU 51.A N VAL 98.A O no hydrogen 2.740 N/A ARG 53.A N ASP 97.A OD1 no hydrogen 3.306 N/A GLN 56.A N ARG 53.A O no hydrogen 3.020 N/A ASN 57.A ND2 HIS 60.A ND1 no hydrogen 3.250 N/A HIS 60.A N ASN 57.A OD1 no hydrogen 3.031 N/A ALA 61.A N ASN 57.A O no hydrogen 2.967 N/A LYS 62.A N GLN 58.A O no hydrogen 2.877 N/A ARG 63.A N THR 59.A O no hydrogen 3.392 N/A ARG 63.A NH1 GLY 165.A O no hydrogen 3.365 N/A ALA 64.A N HIS 60.A O no hydrogen 2.950 N/A TYR 65.A N ALA 61.A O no hydrogen 2.986 N/A ARG 66.A N LYS 62.A O no hydrogen 2.955 N/A ARG 66.A NH1 PHE 164.A O no hydrogen 3.358 N/A GLU 67.A N ARG 63.A O no hydrogen 2.973 N/A LEU 68.A N ALA 64.A O no hydrogen 3.113 N/A VAL 69.A N TYR 65.A O no hydrogen 3.060 N/A LEU 70.A N ARG 66.A O no hydrogen 2.809 N/A MET 71.A N GLU 67.A O no hydrogen 3.203 N/A LYS 72.A N VAL 69.A O no hydrogen 3.159 N/A LYS 72.A NZ GLU 339.A OE2 no hydrogen 2.801 N/A LYS 72.A NZ ASN 342.A OD1 no hydrogen 3.263 N/A CYS 73.A N LEU 70.A O no hydrogen 2.970 N/A CYS 73.A SG VAL 69.A O no hydrogen 3.650 N/A ASN 75.A N HIS 135.A NE2 no hydrogen 3.132 N/A HIS 76.A NE2 GLU 318.A O no hydrogen 2.928 N/A LYS 77.A NZ GLU 318.A OE2 no hydrogen 2.795 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.833 N/A ASN 78.A ND2 GLN 128.A OE1 no hydrogen 3.061 N/A ASN 78.A ND2 LEU 159.A O no hydrogen 2.832 N/A ILE 79.A N HIS 76.A O no hydrogen 3.012 N/A ILE 80.A N ILE 161.A O no hydrogen 2.951 N/A LEU 83.A N VAL 101.A O no hydrogen 2.708 N/A ASN 84.A N VAL 101.A O no hydrogen 3.383 N/A ASN 84.A ND2 TYR 20.A OH no hydrogen 3.044 N/A VAL 85.A N ASN 84.A OD1 no hydrogen 2.975 N/A PHE 86.A N TYR 99.A O no hydrogen 3.018 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.731 N/A GLN 89.A N THR 87.A OG1 no hydrogen 3.372 N/A THR 91.A OG1 GLU 94.A OE1 no hydrogen 2.723 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.285 N/A PHE 95.A N THR 91.A O no hydrogen 2.980 N/A PHE 95.A N LEU 92.A O no hydrogen 3.235 N/A GLN 96.A N GLN 89.A OE1 no hydrogen 2.846 N/A GLN 96.A NE2 PHE 95.A O no hydrogen 3.221 N/A ASP 97.A N GLN 89.A OE1 no hydrogen 2.918 N/A VAL 98.A N LEU 51.A O no hydrogen 3.032 N/A TYR 99.A N PHE 86.A O no hydrogen 2.793 N/A LEU 100.A N LYS 49.A O no hydrogen 2.820 N/A VAL 101.A N ASN 84.A O no hydrogen 2.894 N/A MET 102.A N ALA 47.A O no hydrogen 3.024 N/A LEU 104.A N ASN 45.A O no hydrogen 3.325 N/A ASP 106.A N VAL 153.A O no hydrogen 2.844 N/A ALA 107.A N VAL 153.A O no hydrogen 3.081 N/A ASN 108.A N GLN 111.A OE1 no hydrogen 2.989 N/A ASN 108.A ND2 SER 149.A O no hydrogen 2.785 N/A LEU 109.A N ILE 151.A O no hydrogen 2.777 N/A CYS 110.A N ASN 108.A OD1 no hydrogen 3.045 N/A CYS 110.A SG ASN 108.A OD1 no hydrogen 3.202 N/A GLN 111.A N ASN 108.A O no hydrogen 3.222 N/A VAL 112.A N ASN 108.A O no hydrogen 3.476 N/A ILE 113.A N LEU 109.A O no hydrogen 2.877 N/A GLN 114.A N GLN 111.A O no hydrogen 3.315 N/A MET 115.A N VAL 112.A O no hydrogen 2.991 N/A HIS 119.A ND1 TYR 309.A OH no hydrogen 2.777 N/A ARG 121.A N ASP 118.A OD1 no hydrogen 2.880 N/A MET 122.A N ASP 118.A O no hydrogen 3.076 N/A SER 123.A N HIS 119.A O no hydrogen 2.864 N/A SER 123.A OG HIS 119.A O no hydrogen 2.781 N/A SER 123.A OG GLU 120.A O no hydrogen 3.236 N/A TYR 124.A N GLU 120.A O no hydrogen 3.129 N/A LEU 125.A N ARG 121.A O no hydrogen 2.928 N/A LEU 126.A N MET 122.A O no hydrogen 2.968 N/A TYR 127.A N SER 123.A O no hydrogen 2.864 N/A TYR 127.A OH GLU 318.A OE1 no hydrogen 2.699 N/A GLN 128.A N TYR 124.A O no hydrogen 3.039 N/A GLN 128.A NE2 TYR 124.A O no hydrogen 3.299 N/A GLN 128.A NE2 CYS 157.A O no hydrogen 2.774 N/A MET 129.A N LEU 125.A O no hydrogen 2.981 N/A LEU 130.A N LEU 126.A O no hydrogen 2.954 N/A CYS 131.A N TYR 127.A O no hydrogen 2.861 N/A CYS 131.A SG TYR 127.A O no hydrogen 3.325 N/A CYS 131.A SG GLU 318.A O no hydrogen 4.010 N/A GLY 132.A N GLN 128.A O no hydrogen 2.914 N/A ILE 133.A N MET 129.A O no hydrogen 2.936 N/A LYS 134.A N LEU 130.A O no hydrogen 2.916 N/A LYS 134.A NZ VAL 319.A O no hydrogen 2.804 N/A HIS 135.A N CYS 131.A O no hydrogen 3.037 N/A LEU 136.A N GLY 132.A O no hydrogen 3.095 N/A HIS 137.A N ILE 133.A O no hydrogen 2.844 N/A HIS 137.A NE2 ASP 196.A OD2 no hydrogen 2.706 N/A SER 138.A N LYS 134.A O no hydrogen 2.935 N/A SER 138.A OG HIS 135.A O no hydrogen 2.736 N/A ALA 139.A N HIS 135.A O no hydrogen 3.128 N/A ALA 139.A N LEU 136.A O no hydrogen 2.881 N/A GLY 140.A N HIS 137.A O no hydrogen 3.017 N/A ILE 141.A N LEU 136.A O no hydrogen 2.959 N/A HIS 143.A N ASP 196.A OD2 no hydrogen 3.163 N/A HIS 143.A NE2 ASP 163.A OD1 no hydrogen 2.819 N/A ARG 144.A N ASP 196.A OD1 no hydrogen 2.803 N/A ARG 144.A NH1 ALA 167.A O no hydrogen 3.126 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.013 N/A LYS 147.A NZ ASP 145.A OD1 no hydrogen 3.414 N/A LYS 147.A NZ ASP 145.A OD2 no hydrogen 2.897 N/A LYS 147.A NZ THR 177.A O no hydrogen 2.847 N/A ASN 150.A N LYS 147.A O no hydrogen 3.098 N/A ILE 151.A N PRO 148.A O no hydrogen 3.109 N/A VAL 152.A N LYS 160.A O no hydrogen 3.051 N/A VAL 153.A N ALA 107.A O no hydrogen 2.857 N/A LYS 154.A N THR 158.A O no hydrogen 2.935 N/A SER 155.A N ASP 106.A OD2 no hydrogen 2.746 N/A SER 155.A OG ASP 106.A OD2 no hydrogen 3.362 N/A CYS 157.A N LYS 154.A O no hydrogen 2.888 N/A CYS 157.A SG ARG 121.A O no hydrogen 3.836 N/A THR 158.A N ASP 156.A OD1 no hydrogen 3.113 N/A LEU 159.A N GLN 128.A OE1 no hydrogen 2.916 N/A LYS 160.A N VAL 152.A O no hydrogen 2.916 N/A LYS 160.A NZ LYS 77.A O no hydrogen 2.919 N/A ILE 161.A N ASN 78.A O no hydrogen 2.867 N/A LEU 162.A N ASN 150.A O no hydrogen 2.821 N/A PHE 164.A N GLU 67.A OE2 no hydrogen 3.033 N/A GLY 165.A N ASP 163.A OD2 no hydrogen 3.238 N/A LEU 166.A N HIS 143.A O no hydrogen 3.004 N/A TYR 180.A OH GLU 206.A OE1 no hydrogen 2.525 N/A TYR 180.A OH GLU 206.A OE2 no hydrogen 3.368 N/A ARG 181.A N ARG 178.A O no hydrogen 3.093 N/A ARG 181.A NE ASP 145.A OD1 no hydrogen 2.834 N/A ARG 181.A NH1 TYR 219.A OH no hydrogen 2.941 N/A ARG 181.A NH2 ASP 145.A OD2 no hydrogen 3.073 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.806 N/A VAL 185.A N ALA 182.A O no hydrogen 2.879 N/A ILE 186.A N ALA 182.A O no hydrogen 2.897 N/A LEU 187.A N PRO 183.A O no hydrogen 2.732 N/A GLY 188.A N VAL 185.A O no hydrogen 3.381 N/A MET 189.A N GLU 184.A O no hydrogen 2.787 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.760 N/A ASN 194.A ND2 PRO 295.A O no hydrogen 2.784 N/A ASN 194.A ND2 ARG 298.A O no hydrogen 3.082 N/A VAL 195.A N LYS 192.A O no hydrogen 3.077 N/A ASP 196.A N GLU 193.A O no hydrogen 3.226 N/A ILE 197.A N ASN 194.A O no hydrogen 3.036 N/A SER 199.A OG TYR 180.A O no hydrogen 2.735 N/A VAL 200.A N ASP 196.A O no hydrogen 3.218 N/A GLY 201.A N ILE 197.A O no hydrogen 2.942 N/A CYS 202.A N TRP 198.A O no hydrogen 2.910 N/A CYS 202.A SG TYR 179.A O no hydrogen 3.919 N/A CYS 202.A SG TRP 198.A O no hydrogen 3.501 N/A ILE 203.A N SER 199.A O no hydrogen 2.995 N/A MET 204.A N VAL 200.A O no hydrogen 2.808 N/A GLY 205.A N GLY 201.A O no hydrogen 2.845 N/A GLU 206.A N CYS 202.A O no hydrogen 3.076 N/A MET 207.A N ILE 203.A O no hydrogen 3.003 N/A VAL 208.A N MET 204.A O no hydrogen 3.266 N/A VAL 208.A N GLY 205.A O no hydrogen 3.253 N/A ARG 209.A N GLY 205.A O no hydrogen 2.876 N/A ARG 209.A NH1 GLN 229.A OE1 no hydrogen 2.758 N/A ARG 209.A NH2 GLN 229.A OE1 no hydrogen 3.000 N/A ARG 209.A NH2 LEU 263.A O no hydrogen 3.210 N/A HIS 210.A N GLU 206.A O no hydrogen 2.816 N/A ARG 217.A N ASP 221.A OD2 no hydrogen 3.115 N/A ARG 217.A NE ASP 221.A OD2 no hydrogen 2.776 N/A ARG 217.A NH2 ASP 221.A OD1 no hydrogen 3.368 N/A ILE 220.A N ASP 218.A OD1 no hydrogen 3.403 N/A GLN 222.A N ASP 218.A O no hydrogen 3.105 N/A GLN 222.A NE2 ARG 178.A O no hydrogen 3.129 N/A TRP 223.A N TYR 219.A O no hydrogen 2.799 N/A ASN 224.A N ILE 220.A O no hydrogen 3.176 N/A LYS 225.A N ASP 221.A O no hydrogen 3.163 N/A VAL 226.A N GLN 222.A O no hydrogen 3.144 N/A ILE 227.A N TRP 223.A O no hydrogen 2.976 N/A GLU 228.A N ASN 224.A O no hydrogen 2.835 N/A GLN 229.A N LYS 225.A O no hydrogen 3.328 N/A GLN 229.A NE2 LEU 213.A O no hydrogen 2.834 N/A GLN 229.A NE2 LYS 225.A O no hydrogen 3.077 N/A LEU 230.A N VAL 226.A O no hydrogen 2.837 N/A GLY 231.A N ILE 227.A O no hydrogen 2.818 N/A THR 232.A N TYR 255.A O no hydrogen 2.924 N/A CYS 234.A SG ASP 294.A OD2 no hydrogen 3.664 N/A PHE 237.A N CYS 234.A O no hydrogen 2.906 N/A MET 238.A N CYS 234.A O no hydrogen 3.373 N/A LYS 239.A N PRO 235.A O no hydrogen 3.391 N/A LYS 240.A N PHE 237.A O no hydrogen 3.137 N/A LEU 241.A N MET 238.A O no hydrogen 3.120 N/A ARG 246.A N GLN 242.A O no hydrogen 2.911 N/A ARG 246.A NE GLU 250.A OE1 no hydrogen 3.250 N/A ASN 247.A N PRO 243.A O no hydrogen 3.055 N/A TYR 248.A N THR 244.A O no hydrogen 3.092 N/A VAL 249.A N VAL 245.A O no hydrogen 2.820 N/A GLU 250.A N ARG 246.A O no hydrogen 2.822 N/A ASN 251.A N ASN 247.A O no hydrogen 3.175 N/A ASN 251.A N TYR 248.A O no hydrogen 3.233 N/A ASN 251.A ND2 ASN 247.A O no hydrogen 2.904 N/A ARG 252.A N VAL 249.A O no hydrogen 3.346 N/A ARG 252.A NE ASN 224.A OD1 no hydrogen 3.030 N/A ARG 252.A NH2 ASN 224.A OD1 no hydrogen 2.976 N/A TYR 255.A N THR 232.A OG1 no hydrogen 2.787 N/A LEU 258.A N GLN 229.A O no hydrogen 2.825 N/A LEU 263.A N THR 259.A O no hydrogen 2.883 N/A PHE 264.A N PHE 260.A O no hydrogen 2.782 N/A LEU 268.A N PRO 265.A O no hydrogen 2.941 N/A PHE 269.A N ASP 266.A O no hydrogen 3.035 N/A SER 273.A N ASP 272.A OD1 no hydrogen 2.817 N/A ASN 276.A N SER 273.A OG no hydrogen 2.896 N/A ASN 276.A ND2 ASP 272.A OD1 no hydrogen 2.762 N/A LYS 277.A N SER 273.A O no hydrogen 2.832 N/A LEU 278.A N GLU 274.A O no hydrogen 3.010 N/A LYS 279.A N HIS 275.A O no hydrogen 2.998 N/A ALA 280.A N ASN 276.A O no hydrogen 2.943 N/A SER 281.A N LYS 277.A O no hydrogen 3.278 N/A SER 281.A OG LEU 278.A O no hydrogen 2.749 N/A GLN 282.A N LEU 278.A O no hydrogen 3.013 N/A ALA 283.A N LYS 279.A O no hydrogen 2.825 N/A ARG 284.A N ALA 280.A O no hydrogen 3.011 N/A ARG 284.A NE PHE 264.A O no hydrogen 3.078 N/A ARG 284.A NH2 PHE 264.A O no hydrogen 3.180 N/A ARG 284.A NH2 ASP 266.A OD1 no hydrogen 2.793 N/A ASP 285.A N SER 281.A O no hydrogen 2.973 N/A LEU 286.A N GLN 282.A O no hydrogen 2.951 N/A LEU 287.A N ALA 283.A O no hydrogen 2.985 N/A SER 288.A N ARG 284.A O no hydrogen 2.930 N/A SER 288.A OG ASP 285.A O no hydrogen 2.804 N/A LYS 289.A N ASP 285.A O no hydrogen 3.227 N/A LYS 289.A N LEU 286.A O no hydrogen 3.034 N/A LYS 289.A NZ ASP 285.A OD1 no hydrogen 2.905 N/A LYS 289.A NZ ASP 285.A OD2 no hydrogen 2.911 N/A MET 290.A N LEU 286.A O no hydrogen 3.079 N/A MET 290.A N LEU 287.A O no hydrogen 3.240 N/A LEU 291.A N LEU 287.A O no hydrogen 2.924 N/A ALA 296.A N ASP 294.A OD1 no hydrogen 3.072 N/A LYS 297.A N ASP 294.A O no hydrogen 2.981 N/A LYS 297.A NZ ASP 294.A OD2 no hydrogen 2.818 N/A ARG 298.A N ASP 294.A O no hydrogen 3.145 N/A ARG 298.A NE VAL 292.A O no hydrogen 2.804 N/A ARG 298.A NH1 GLU 184.A OE1 no hydrogen 3.543 N/A ARG 298.A NH1 GLU 184.A OE2 no hydrogen 2.969 N/A ARG 298.A NH1 ASN 194.A O no hydrogen 2.991 N/A ARG 298.A NH2 GLU 184.A OE1 no hydrogen 2.949 N/A ARG 298.A NH2 VAL 292.A O no hydrogen 3.173 N/A ARG 298.A NH2 ILE 293.A O no hydrogen 2.932 N/A ILE 299.A N LYS 289.A O no hydrogen 3.041 N/A ASP 303.A N SER 300.A OG no hydrogen 2.919 N/A ALA 304.A N SER 300.A O no hydrogen 2.902 N/A LEU 305.A N VAL 301.A O no hydrogen 3.017 N/A GLN 306.A N ASP 303.A O no hydrogen 3.157 N/A HIS 307.A N ALA 304.A O no hydrogen 3.185 N/A HIS 307.A NE2 ASP 285.A OD2 no hydrogen 2.775 N/A TYR 309.A N HIS 307.A ND1 no hydrogen 3.130 N/A TYR 309.A OH HIS 119.A ND1 no hydrogen 2.777 N/A ILE 310.A N HIS 307.A O no hydrogen 2.917 N/A ASN 311.A N HIS 307.A O no hydrogen 2.843 N/A ASN 311.A ND2 LEU 305.A O no hydrogen 3.125 N/A TRP 313.A N ILE 310.A O no hydrogen 3.205 N/A TRP 313.A NE1 SER 123.A OG no hydrogen 2.807 N/A TYR 314.A N ASN 311.A O no hydrogen 3.048 N/A ALA 317.A N ASP 315.A OD1 no hydrogen 3.265 N/A GLU 318.A N ASP 315.A O no hydrogen 3.148 N/A VAL 319.A N ASP 315.A O no hydrogen 3.262 N/A VAL 319.A N PRO 316.A O no hydrogen 3.385 N/A GLU 320.A N PRO 316.A O no hydrogen 2.813 N/A HIS 327.A ND1 GLU 331.A OE1 no hydrogen 3.081 N/A THR 328.A N GLU 331.A OE1 no hydrogen 3.122 N/A GLU 331.A N THR 328.A OG1 no hydrogen 3.297 N/A TRP 332.A N THR 328.A O no hydrogen 3.080 N/A LYS 333.A N ILE 329.A O no hydrogen 2.923 N/A LYS 333.A NZ LEU 92.A O no hydrogen 3.217 N/A LYS 333.A NZ GLU 93.A O no hydrogen 3.110 N/A GLU 334.A N GLU 330.A O no hydrogen 3.350 N/A LEU 335.A N GLU 331.A O no hydrogen 3.070 N/A ILE 336.A N TRP 332.A O no hydrogen 2.991 N/A TYR 337.A N LYS 333.A O no hydrogen 2.892 N/A LYS 338.A N GLU 334.A O no hydrogen 2.946 N/A GLU 339.A N LEU 335.A O no hydrogen 3.281 N/A VAL 340.A N ILE 336.A O no hydrogen 2.965 N/A MET 341.A N TYR 337.A O no hydrogen 2.898 N/A