Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hku_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N THR 24.A O no hydrogen 3.094 N/A ALA 6.A N GLY 46.A O no hydrogen 3.056 N/A LEU 7.A N ALA 26.A O no hydrogen 2.989 N/A LEU 8.A N LEU 48.A O no hydrogen 2.914 N/A THR 13.A OG1 ASP 12.A OD1 no hydrogen 2.857 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.657 N/A ILE 18.A N GLU 15.A O no hydrogen 3.068 N/A LEU 19.A N GLU 15.A O no hydrogen 3.068 N/A LEU 19.A N MET 16.A O no hydrogen 3.182 N/A LYS 20.A N MET 16.A O no hydrogen 2.821 N/A VAL 22.A N LEU 19.A O no hydrogen 3.080 N/A ALA 23.A N LEU 19.A O no hydrogen 2.905 N/A THR 24.A N PRO 3.A O no hydrogen 2.799 N/A THR 24.A OG1 ARG 2.A O no hydrogen 2.702 N/A CYS 28.A N LEU 7.A O no hydrogen 2.970 N/A ASP 29.A N GLY 10.A O no hydrogen 3.009 N/A ALA 30.A N LEU 8.A O no hydrogen 3.025 N/A GLN 31.A N GLU 35.A OE2 no hydrogen 3.062 N/A THR 33.A OG1 ASP 59.A OD1 no hydrogen 2.720 N/A GLU 35.A N SER 32.A O no hydrogen 2.887 N/A ILE 36.A N THR 33.A O no hydrogen 3.141 N/A VAL 40.A N HIS 37.A O no hydrogen 3.002 N/A LEU 41.A N HIS 37.A O no hydrogen 3.408 N/A ASN 42.A N GLU 38.A O no hydrogen 2.947 N/A ASN 42.A ND2 GLU 38.A OE2 no hydrogen 3.398 N/A GLU 43.A N LYS 39.A O no hydrogen 2.968 N/A ALA 44.A N VAL 40.A O no hydrogen 2.840 N/A VAL 45.A N LEU 4.A O no hydrogen 2.785 N/A GLY 46.A N LEU 4.A O no hydrogen 3.261 N/A ALA 47.A N ILE 68.A O no hydrogen 2.956 N/A LEU 48.A N ALA 6.A O no hydrogen 2.811 N/A MET 49.A N VAL 70.A O no hydrogen 3.208 N/A TYR 50.A N ASP 9.A OD1 no hydrogen 2.650 N/A THR 52.A N ASP 9.A OD2 no hydrogen 3.102 N/A THR 52.A OG1 ASP 9.A OD2 no hydrogen 2.499 N/A LEU 55.A N ASN 78.A O no hydrogen 2.830 N/A THR 56.A N ASP 59.A OD2 no hydrogen 2.724 N/A THR 56.A OG1 GLU 58.A OE1 no hydrogen 2.789 N/A THR 56.A OG1 ASP 59.A OD2 no hydrogen 2.810 N/A ARG 57.A NH1 SER 83.A OG no hydrogen 3.166 N/A ASP 59.A N THR 56.A OG1 no hydrogen 3.299 N/A LEU 60.A N THR 56.A O no hydrogen 3.042 N/A GLU 61.A N ARG 57.A O no hydrogen 2.968 N/A LYS 62.A N ASP 59.A O no hydrogen 3.130 N/A PHE 63.A N LEU 60.A O no hydrogen 3.059 N/A LYS 64.A N LEU 41.A O no hydrogen 2.739 N/A ARG 67.A N VAL 45.A O no hydrogen 2.710 N/A ILE 68.A N VAL 45.A O no hydrogen 3.325 N/A ILE 69.A N ALA 90.A O no hydrogen 2.872 N/A VAL 70.A N ALA 47.A O no hydrogen 2.817 N/A ARG 71.A N CYS 92.A O no hydrogen 2.606 N/A ARG 71.A NE GLY 75.A O no hydrogen 2.669 N/A ARG 71.A NH2 GLY 75.A O no hydrogen 3.082 N/A ILE 72.A N MET 49.A O no hydrogen 2.936 N/A ASN 78.A ND2 TYR 50.A O no hydrogen 2.949 N/A ASN 78.A ND2 ILE 53.A O no hydrogen 3.104 N/A ILE 79.A N PHE 76.A O no hydrogen 3.456 N/A ASP 80.A N LEU 55.A O no hydrogen 3.189 N/A ILE 81.A N ILE 79.A O no hydrogen 2.871 N/A SER 83.A N ASP 80.A OD1 no hydrogen 2.669 N/A SER 83.A OG ASP 80.A OD2 no hydrogen 2.924 N/A ALA 84.A N ASP 80.A O no hydrogen 2.949 N/A GLY 85.A N ILE 81.A O no hydrogen 2.923 N/A ASP 86.A N LYS 82.A O no hydrogen 2.983 N/A LEU 87.A N SER 83.A O no hydrogen 2.856 N/A GLY 88.A N GLY 85.A O no hydrogen 2.745 N/A ILE 89.A N ALA 84.A O no hydrogen 2.569 N/A ALA 90.A N ARG 67.A O no hydrogen 3.362 N/A VAL 91.A N ASN 326.A OD1 no hydrogen 2.890 N/A CYS 92.A N ILE 69.A O no hydrogen 2.863 N/A CYS 92.A SG GLU 308.A OE2 no hydrogen 3.029 N/A ASN 93.A N ASN 323.A O no hydrogen 3.030 N/A ASN 93.A ND2 SER 74.A O no hydrogen 2.875 N/A VAL 94.A N GLY 73.A O no hydrogen 2.868 N/A GLU 101.A N GLU 101.A OE2 no hydrogen 2.735 N/A THR 102.A N SER 98.A O no hydrogen 2.919 N/A THR 102.A OG1 SER 98.A O no hydrogen 3.079 N/A ALA 103.A N VAL 99.A O no hydrogen 2.983 N/A ASP 104.A N GLU 100.A O no hydrogen 2.792 N/A SER 105.A N GLU 101.A O no hydrogen 3.000 N/A SER 105.A OG GLU 101.A O no hydrogen 3.197 N/A SER 105.A OG ALA 291.A O no hydrogen 3.143 N/A THR 106.A N THR 102.A O no hydrogen 2.849 N/A THR 106.A OG1 THR 102.A O no hydrogen 2.649 N/A THR 106.A OG1 THR 238.A OG1 no hydrogen 3.239 N/A LEU 107.A N ALA 103.A O no hydrogen 2.878 N/A CYS 108.A N ASP 104.A O no hydrogen 3.036 N/A HIS 109.A N SER 105.A O no hydrogen 2.925 N/A ILE 110.A N THR 106.A O no hydrogen 3.010 N/A LEU 111.A N LEU 107.A O no hydrogen 2.865 N/A ASN 112.A N CYS 108.A O no hydrogen 2.870 N/A LEU 113.A N HIS 109.A O no hydrogen 3.144 N/A LEU 113.A N ILE 110.A O no hydrogen 3.271 N/A TYR 114.A N ILE 110.A O no hydrogen 3.222 N/A TYR 114.A OH GLU 149.A OE1 no hydrogen 2.763 N/A ARG 115.A N LEU 111.A O no hydrogen 2.600 N/A ARG 115.A NH1 ALA 144.A O no hydrogen 3.283 N/A THR 118.A N ASN 112.A OD1 no hydrogen 3.205 N/A THR 118.A OG1 ASN 112.A OD1 no hydrogen 2.902 N/A LEU 120.A N ARG 116.A O no hydrogen 2.825 N/A HIS 121.A N THR 117.A O no hydrogen 3.044 N/A GLN 122.A N THR 118.A O no hydrogen 2.841 N/A GLN 122.A NE2 GLU 126.A OE2 no hydrogen 3.528 N/A ALA 123.A N TRP 119.A O no hydrogen 2.948 N/A LEU 124.A N LEU 120.A O no hydrogen 3.054 N/A ARG 125.A N HIS 121.A O no hydrogen 3.036 N/A GLU 126.A N GLN 122.A O no hydrogen 3.173 N/A THR 128.A N ALA 123.A O no hydrogen 3.138 N/A THR 128.A OG1 ALA 123.A O no hydrogen 3.001 N/A GLN 131.A N GLN 135.A OE1 no hydrogen 2.857 N/A SER 132.A N GLN 135.A OE1 no hydrogen 3.200 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.718 N/A ILE 136.A N SER 132.A O no hydrogen 3.007 N/A ARG 137.A N VAL 133.A O no hydrogen 2.895 N/A GLU 138.A N GLU 134.A O no hydrogen 2.962 N/A VAL 139.A N GLN 135.A O no hydrogen 2.807 N/A ALA 140.A N ILE 136.A O no hydrogen 2.771 N/A SER 141.A N GLU 138.A O no hydrogen 3.117 N/A ALA 143.A N ALA 140.A O no hydrogen 3.050 N/A ALA 144.A N TYR 114.A O no hydrogen 3.007 N/A GLY 148.A N GLY 171.A O no hydrogen 3.030 N/A GLU 149.A N ILE 146.A O no hydrogen 2.831 N/A THR 150.A N ASP 205.A OD2 no hydrogen 2.642 N/A LEU 151.A N ASN 173.A O no hydrogen 2.963 N/A GLY 152.A N CYS 206.A O no hydrogen 2.767 N/A ILE 153.A N LEU 175.A O no hydrogen 2.842 N/A ILE 154.A N THR 208.A O no hydrogen 3.071 N/A GLY 155.A N TYR 177.A O no hydrogen 2.858 N/A LEU 156.A N ASP 178.A OD2 no hydrogen 2.750 N/A GLN 161.A N GLY 157.A O no hydrogen 2.813 N/A GLN 161.A NE2 LEU 156.A O no hydrogen 3.479 N/A GLN 161.A NE2 GLY 157.A O no hydrogen 3.638 N/A ALA 162.A N ARG 158.A O no hydrogen 3.137 N/A VAL 163.A N VAL 159.A O no hydrogen 2.797 N/A ALA 164.A N GLY 160.A O no hydrogen 2.928 N/A LEU 165.A N GLN 161.A O no hydrogen 3.085 N/A ARG 166.A N ALA 162.A O no hydrogen 3.291 N/A ARG 166.A NE ASP 104.A OD1 no hydrogen 2.958 N/A ARG 166.A NH1 ALA 162.A O no hydrogen 3.103 N/A ARG 166.A NH2 GLU 100.A OE2 no hydrogen 2.719 N/A ARG 166.A NH2 ASP 104.A OD1 no hydrogen 3.551 N/A ALA 167.A N VAL 163.A O no hydrogen 2.892 N/A LYS 168.A N ALA 164.A O no hydrogen 3.175 N/A LYS 168.A NZ LEU 189.A O no hydrogen 2.786 N/A ALA 169.A N ARG 166.A O no hydrogen 3.198 N/A PHE 170.A N ALA 167.A O no hydrogen 3.036 N/A GLY 171.A N LYS 168.A O no hydrogen 2.918 N/A ASN 173.A N GLU 149.A O no hydrogen 2.835 N/A ASN 173.A ND2 GLN 192.A OE1 no hydrogen 3.220 N/A LEU 175.A N LEU 151.A O no hydrogen 3.067 N/A PHE 176.A N GLN 192.A O no hydrogen 2.866 N/A TYR 177.A N ILE 153.A O no hydrogen 2.951 N/A TYR 180.A N ASP 178.A OD1 no hydrogen 3.321 N/A LEU 181.A N ASP 178.A O no hydrogen 3.273 N/A GLY 184.A N GLU 186.A OE1 no hydrogen 3.184 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.467 N/A ARG 187.A N GLY 184.A O no hydrogen 2.973 N/A ALA 188.A N GLY 184.A O no hydrogen 3.313 N/A LEU 189.A N ILE 185.A O no hydrogen 3.248 N/A GLY 190.A N ARG 187.A O no hydrogen 3.205 N/A LEU 191.A N GLU 186.A O no hydrogen 2.881 N/A GLN 192.A N VAL 174.A O no hydrogen 3.410 N/A ARG 193.A NH1 SER 182.A O no hydrogen 3.087 N/A ARG 193.A NH1 GLU 186.A OE1 no hydrogen 3.300 N/A ARG 193.A NH2 ASP 178.A O no hydrogen 2.937 N/A ARG 193.A NH2 LEU 181.A O no hydrogen 3.018 N/A VAL 194.A N PHE 176.A O no hydrogen 2.984 N/A ASP 199.A N THR 196.A OG1 no hydrogen 2.946 N/A LEU 200.A N THR 196.A O no hydrogen 3.198 N/A LEU 201.A N LEU 197.A O no hydrogen 2.846 N/A PHE 202.A N GLN 198.A O no hydrogen 2.867 N/A HIS 203.A N ASP 199.A O no hydrogen 3.224 N/A HIS 203.A N LEU 200.A O no hydrogen 3.192 N/A HIS 203.A ND1 ASP 199.A O no hydrogen 2.846 N/A SER 204.A N LEU 201.A O no hydrogen 3.468 N/A SER 204.A OG LEU 200.A O no hydrogen 2.696 N/A ASP 205.A N THR 150.A O no hydrogen 2.770 N/A CYS 206.A N THR 150.A O no hydrogen 3.246 N/A VAL 207.A N PHE 234.A O no hydrogen 2.965 N/A THR 208.A N GLY 152.A O no hydrogen 2.940 N/A THR 208.A OG1 HIS 210.A NE2 no hydrogen 2.602 N/A LEU 209.A N VAL 236.A O no hydrogen 3.116 N/A HIS 210.A N ILE 154.A O no hydrogen 2.830 N/A CYS 211.A SG GLY 212.A O no hydrogen 3.949 N/A ASN 214.A N ASN 217.A OD1 no hydrogen 2.755 N/A ASN 217.A N ASN 214.A O no hydrogen 3.312 N/A ASN 217.A ND2 GLY 212.A O no hydrogen 2.961 N/A HIS 219.A N GLY 242.A O no hydrogen 2.777 N/A HIS 219.A NE2 GLU 267.A OE1 no hydrogen 2.719 N/A ILE 221.A N LEU 243.A O no hydrogen 3.003 N/A ASN 222.A N THR 225.A OG1 no hydrogen 2.497 N/A ASN 222.A ND2 HIS 219.A O no hydrogen 2.585 N/A THR 225.A OG1 LEU 220.A O no hydrogen 2.963 N/A THR 225.A OG1 ASN 222.A O no hydrogen 3.440 N/A VAL 226.A N ASN 222.A O no hydrogen 2.708 N/A LYS 227.A N PHE 224.A O no hydrogen 3.107 N/A GLN 228.A N THR 225.A O no hydrogen 2.702 N/A MET 229.A N VAL 226.A O no hydrogen 3.162 N/A ARG 230.A NE PHE 202.A O no hydrogen 2.958 N/A ARG 230.A NH1 ASP 205.A OD1 no hydrogen 2.739 N/A GLY 232.A N ARG 257.A O no hydrogen 2.696 N/A PHE 234.A N ASP 205.A O no hydrogen 2.970 N/A LEU 235.A N GLY 260.A O no hydrogen 3.039 N/A VAL 236.A N VAL 207.A O no hydrogen 2.860 N/A ASN 237.A N ALA 262.A O no hydrogen 2.923 N/A THR 238.A OG1 THR 106.A OG1 no hydrogen 3.239 N/A ARG 240.A NE ASP 77.A OD1 no hydrogen 2.759 N/A ARG 240.A NH1 ALA 239.A O no hydrogen 2.682 N/A LEU 243.A N ARG 240.A O no hydrogen 3.155 N/A VAL 244.A N GLY 241.A O no hydrogen 3.063 N/A ASP 245.A N ILE 221.A O no hydrogen 3.079 N/A GLU 246.A N GLU 267.A OE2 no hydrogen 2.736 N/A ALA 248.A N ASP 245.A OD2 no hydrogen 3.217 N/A LEU 249.A N ASP 245.A O no hydrogen 2.995 N/A ALA 250.A N GLU 246.A O no hydrogen 2.711 N/A GLN 251.A N LYS 247.A O no hydrogen 3.085 N/A ALA 252.A N ALA 248.A O no hydrogen 2.990 N/A LEU 253.A N LEU 249.A O no hydrogen 2.768 N/A LYS 254.A N ALA 250.A O no hydrogen 2.962 N/A GLU 255.A N GLN 251.A O no hydrogen 2.920 N/A ILE 258.A N ALA 252.A O no hydrogen 3.228 N/A ARG 259.A N ALA 233.A O no hydrogen 3.188 N/A ARG 259.A NE GLY 232.A O no hydrogen 3.465 N/A ALA 261.A N ASN 283.A O no hydrogen 3.202 N/A ALA 262.A N LEU 235.A O no hydrogen 2.935 N/A LEU 263.A N ILE 285.A O no hydrogen 2.985 N/A ASP 264.A N ASN 237.A O no hydrogen 3.046 N/A HIS 266.A N GLU 269.A OE2 no hydrogen 2.742 N/A GLU 267.A N GLU 246.A OE2 no hydrogen 2.704 N/A SER 272.A OG SER 274.A OG no hydrogen 2.859 N/A SER 274.A OG SER 272.A OG no hydrogen 2.859 N/A GLN 275.A N SER 272.A O no hydrogen 3.426 N/A GLN 275.A NE2 SER 272.A O no hydrogen 3.687 N/A LYS 279.A N GLY 276.A O no hydrogen 3.191 N/A ALA 281.A N LEU 278.A O no hydrogen 2.942 N/A ILE 285.A N ALA 261.A O no hydrogen 2.945 N/A CYS 286.A SG HIS 266.A NE2 no hydrogen 3.469 N/A THR 287.A N LEU 263.A O no hydrogen 3.123 N/A THR 287.A OG1 HIS 109.A NE2 no hydrogen 3.349 N/A THR 287.A OG1 ASP 264.A OD1 no hydrogen 2.604 N/A HIS 289.A N THR 287.A O no hydrogen 2.790 N/A HIS 289.A ND1 GLU 269.A OE1 no hydrogen 2.696 N/A ALA 290.A N ASP 264.A OD1 no hydrogen 2.876 N/A ALA 291.A N ASP 264.A OD1 no hydrogen 3.225 N/A ALA 291.A N ASP 264.A OD2 no hydrogen 3.214 N/A TRP 292.A NE1 HIS 289.A O no hydrogen 2.947 N/A TYR 293.A N ALA 290.A O no hydrogen 2.993 N/A SER 294.A OG GLU 101.A OE1 no hydrogen 3.172 N/A ALA 297.A N SER 294.A OG no hydrogen 3.429 N/A SER 298.A N SER 294.A O no hydrogen 2.963 N/A ILE 299.A N GLU 295.A O no hydrogen 2.975 N/A GLU 300.A N GLN 296.A O no hydrogen 2.748 N/A MET 301.A N ALA 297.A O no hydrogen 2.865 N/A ARG 302.A N SER 298.A O no hydrogen 3.158 N/A ARG 302.A NE GLU 15.A OE2 no hydrogen 2.897 N/A ARG 302.A NH2 ASP 12.A OD1 no hydrogen 3.041 N/A ARG 302.A NH2 GLU 15.A OE1 no hydrogen 3.127 N/A GLU 303.A N ILE 299.A O no hydrogen 3.002 N/A GLU 304.A N GLU 300.A O no hydrogen 3.068 N/A ALA 305.A N MET 301.A O no hydrogen 2.906 N/A ALA 306.A N ARG 302.A O no hydrogen 2.979 N/A ARG 307.A N GLU 303.A O no hydrogen 2.941 N/A GLU 308.A N GLU 304.A O no hydrogen 3.041 N/A ILE 309.A N ALA 305.A O no hydrogen 3.010 N/A ARG 310.A N ALA 306.A O no hydrogen 2.998 N/A ARG 310.A NH1 ILE 18.A O no hydrogen 2.661 N/A ARG 310.A NH1 ASP 21.A OD1 no hydrogen 2.872 N/A ARG 310.A NH2 ASP 21.A OD2 no hydrogen 3.190 N/A ARG 311.A N ARG 307.A O no hydrogen 2.857 N/A ARG 311.A NH1 GLU 304.A OE2 no hydrogen 3.112 N/A ARG 311.A NH1 GLU 308.A OE1 no hydrogen 3.017 N/A ARG 311.A NH2 GLU 304.A OE2 no hydrogen 3.242 N/A ALA 312.A N GLU 308.A O no hydrogen 2.977 N/A ILE 313.A N ILE 309.A O no hydrogen 2.895 N/A THR 314.A N ARG 310.A O no hydrogen 2.838 N/A GLY 315.A N ARG 311.A O no hydrogen 2.597 N/A ARG 316.A N SER 320.A OG no hydrogen 2.785 N/A SER 320.A N ARG 316.A O no hydrogen 2.618 N/A SER 320.A OG ARG 316.A O no hydrogen 3.436 N/A LYS 322.A N GLU 308.A OE1 no hydrogen 2.976 N/A LYS 322.A N GLU 308.A OE2 no hydrogen 3.265 N/A ASN 323.A N GLU 308.A OE2 no hydrogen 2.836 N/A CYS 324.A SG VAL 91.A O no hydrogen 3.486 N/A CYS 324.A SG ASN 326.A OD1 no hydrogen 3.085 N/A VAL 325.A N VAL 91.A O no hydrogen 2.802 N/A ASN 326.A ND2 ILE 81.A O no hydrogen 3.327 N/A ASN 326.A ND2 ILE 89.A O no hydrogen 2.954 N/A HIS 329.A N ASN 326.A O no hydrogen 3.191 N/A LEU 330.A N LYS 327.A O no hydrogen 2.961 N/A THR 331.A N LYS 327.A O no hydrogen 3.442 N/A