Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xdu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 7.A OD2 no hydrogen 3.081 N/A THR 4.A OG1 ASP 7.A OD2 no hydrogen 2.621 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.267 N/A LEU 8.A N THR 4.A O no hydrogen 3.427 N/A ASP 9.A N ASP 5.A O no hydrogen 3.278 N/A VAL 10.A N GLN 6.A O no hydrogen 3.053 N/A LEU 11.A N ASP 7.A O no hydrogen 3.227 N/A LEU 12.A N LEU 8.A O no hydrogen 3.006 N/A LYS 13.A N ASP 9.A O no hydrogen 2.922 N/A LYS 13.A NZ ASP 9.A OD1 no hydrogen 3.214 N/A LYS 13.A NZ ASP 9.A OD2 no hydrogen 2.580 N/A ASN 14.A N VAL 10.A O no hydrogen 3.086 N/A LEU 15.A N VAL 10.A O no hydrogen 3.035 N/A GLY 16.A N LEU 11.A O no hydrogen 2.858 N/A ASN 17.A N ASN 14.A O no hydrogen 2.777 N/A THR 20.A OG1 ASN 17.A OD1 no hydrogen 2.515 N/A LEU 23.A N THR 20.A O no hydrogen 2.894 N/A ARG 24.A N PRO 21.A O no hydrogen 3.184 N/A ARG 24.A NH1 PRO 21.A O no hydrogen 3.024 N/A ARG 24.A NH2 ASP 108.A OD2 no hydrogen 3.025 N/A ALA 26.A N ALA 22.A O no hydrogen 3.098 N/A ALA 27.A N LEU 23.A O no hydrogen 3.110 N/A THR 28.A N ARG 24.A O no hydrogen 2.888 N/A THR 28.A OG1 ARG 24.A O no hydrogen 2.598 N/A THR 28.A OG1 ASP 99.A OD2 no hydrogen 3.538 N/A LEU 29.A N VAL 25.A O no hydrogen 3.069 N/A ARG 30.A N ALA 27.A O no hydrogen 3.172 N/A ARG 30.A NH1 ASP 88.A OD2 no hydrogen 3.171 N/A LEU 31.A N ALA 26.A O no hydrogen 3.137 N/A HIS 34.A N ARG 30.A O no hydrogen 2.974 N/A LEU 35.A N LEU 31.A O no hydrogen 3.002 N/A LEU 35.A N VAL 32.A O no hydrogen 3.182 N/A LEU 36.A N VAL 32.A O no hydrogen 3.144 N/A ALA 37.A N ASP 33.A O no hydrogen 3.180 N/A ALA 39.A N HIS 34.A O no hydrogen 3.265 N/A LEU 45.A N THR 41.A O no hydrogen 3.108 N/A ALA 46.A N LEU 42.A O no hydrogen 2.934 N/A ASP 47.A N ALA 43.A O no hydrogen 3.314 N/A ASP 47.A N GLY 44.A O no hydrogen 3.258 N/A ARG 48.A N GLY 44.A O no hydrogen 3.297 N/A THR 49.A OG1 LEU 45.A O no hydrogen 2.669 N/A THR 49.A OG1 ALA 46.A O no hydrogen 3.350 N/A THR 49.A OG1 THR 51.A OG1 no hydrogen 2.601 N/A ASP 50.A N ASP 47.A O no hydrogen 3.501 N/A THR 51.A N ALA 46.A O no hydrogen 3.101 N/A THR 51.A OG1 ALA 46.A O no hydrogen 3.481 N/A THR 51.A OG1 THR 49.A OG1 no hydrogen 2.601 N/A ALA 55.A N HIS 52.A ND1 no hydrogen 3.381 N/A LEU 56.A N HIS 52.A O no hydrogen 2.810 N/A SER 57.A N PRO 53.A O no hydrogen 2.915 N/A SER 57.A OG GLN 54.A O no hydrogen 2.669 N/A ARG 58.A N GLN 54.A O no hydrogen 3.130 N/A LEU 59.A N ALA 55.A O no hydrogen 3.115 N/A VAL 60.A N LEU 56.A O no hydrogen 2.991 N/A ARG 61.A N SER 57.A O no hydrogen 2.914 N/A HIS 62.A N ARG 58.A O no hydrogen 3.317 N/A LEU 63.A N LEU 59.A O no hydrogen 2.953 N/A THR 64.A N VAL 60.A O no hydrogen 2.840 N/A THR 64.A OG1 VAL 60.A O no hydrogen 2.802 N/A VAL 65.A N ARG 61.A O no hydrogen 3.124 N/A VAL 66.A N HIS 62.A O no hydrogen 3.164 N/A GLY 67.A N THR 64.A O no hydrogen 3.049 N/A VAL 68.A N LEU 63.A O no hydrogen 2.963 N/A LEU 69.A N LEU 63.A O no hydrogen 3.415 N/A GLU 70.A N ARG 79.A O no hydrogen 2.987 N/A GLY 72.A N ARG 76.A O no hydrogen 3.246 N/A ARG 76.A N GLU 73.A OE2 no hydrogen 3.309 N/A ARG 76.A NH1 GLU 73.A OE1 no hydrogen 3.169 N/A ARG 79.A N GLU 70.A O no hydrogen 2.990 N/A THR 81.A N VAL 68.A O no hydrogen 3.062 N/A THR 81.A OG1 GLY 67.A O no hydrogen 2.674 N/A THR 81.A OG1 VAL 68.A O no hydrogen 3.175 N/A GLY 84.A N THR 81.A OG1 no hydrogen 3.063 N/A LEU 86.A N GLY 84.A O no hydrogen 3.309 N/A ASP 88.A N ASP 33.A OD1 no hydrogen 2.898 N/A HIS 90.A N ALA 87.A O no hydrogen 3.239 N/A ALA 92.A N HIS 90.A ND1 no hydrogen 3.152 N/A GLN 93.A N HIS 90.A O no hydrogen 3.009 N/A GLN 94.A NE2 ALA 92.A O no hydrogen 2.957 N/A ARG 95.A NH1 ALA 27.A O no hydrogen 2.940 N/A ARG 95.A NH2 ASP 99.A OD1 no hydrogen 3.257 N/A ALA 96.A N GLN 93.A O no hydrogen 3.186 N/A TRP 97.A N GLN 93.A O no hydrogen 3.026 N/A LEU 98.A N GLN 94.A O no hydrogen 3.050 N/A ASP 99.A N ALA 96.A O no hydrogen 3.376 N/A LEU 100.A N THR 28.A OG1 no hydrogen 2.945 N/A ASN 101.A N ASP 99.A OD2 no hydrogen 3.037 N/A GLY 102.A N ASP 99.A O no hydrogen 2.922 N/A ALA 103.A N SER 146.A OG no hydrogen 3.179 N/A SER 105.A OG TRP 97.A O no hydrogen 3.406 N/A SER 105.A OG LEU 98.A O no hydrogen 2.623 N/A HIS 106.A N GLY 102.A O no hydrogen 2.938 N/A ALA 107.A N ALA 103.A O no hydrogen 2.830 N/A ASP 108.A N VAL 104.A O no hydrogen 2.694 N/A LEU 109.A N SER 105.A O no hydrogen 3.243 N/A ALA 110.A N ALA 107.A O no hydrogen 2.943 N/A PHE 111.A N ASP 108.A O no hydrogen 3.144 N/A THR 112.A N LEU 109.A O no hydrogen 3.286 N/A THR 112.A OG1 LEU 109.A O no hydrogen 2.989 N/A GLY 113.A N ALA 110.A O no hydrogen 2.962 N/A LEU 114.A N PHE 111.A O no hydrogen 3.102 N/A VAL 117.A N GLY 113.A O no hydrogen 3.217 N/A VAL 118.A N LEU 114.A O no hydrogen 3.119 N/A ARG 119.A N LEU 115.A O no hydrogen 3.012 N/A THR 120.A N ASP 116.A O no hydrogen 2.867 N/A THR 120.A OG1 ASP 116.A O no hydrogen 2.820 N/A GLY 121.A N VAL 117.A O no hydrogen 2.810 N/A ARG 122.A N THR 120.A OG1 no hydrogen 3.068 N/A ALA 124.A N THR 288.A O no hydrogen 2.949 N/A TYR 125.A OH ASP 136.A OD2 no hydrogen 2.666 N/A ARG 128.A N ALA 124.A O no hydrogen 3.361 N/A ARG 128.A N TYR 125.A O no hydrogen 3.194 N/A ARG 128.A NE TYR 129.A OH no hydrogen 2.872 N/A TYR 129.A N TYR 125.A O no hydrogen 3.066 N/A TYR 129.A OH HIS 106.A O no hydrogen 2.393 N/A GLY 130.A N ALA 126.A O no hydrogen 3.077 N/A ASP 136.A N PRO 132.A O no hydrogen 2.969 N/A LEU 137.A N PHE 133.A O no hydrogen 3.001 N/A SER 138.A N TRP 134.A O no hydrogen 3.153 N/A ALA 139.A N GLU 135.A O no hydrogen 3.252 N/A ALA 139.A N ASP 136.A O no hydrogen 3.140 N/A ASP 140.A N LEU 137.A O no hydrogen 3.195 N/A ALA 142.A N ASP 140.A OD2 no hydrogen 3.198 N/A ALA 144.A N ASP 140.A O no hydrogen 3.130 N/A ASP 145.A N VAL 141.A O no hydrogen 3.149 N/A SER 146.A N ALA 142.A O no hydrogen 3.341 N/A SER 146.A OG ALA 142.A O no hydrogen 2.884 N/A SER 146.A OG LEU 143.A O no hydrogen 3.065 N/A PHE 147.A N LEU 143.A O no hydrogen 3.108 N/A ASP 148.A N ALA 144.A O no hydrogen 3.072 N/A ALA 149.A N ASP 145.A O no hydrogen 2.984 N/A GLU 154.A N SER 151.A O no hydrogen 3.298 N/A ALA 157.A N GLU 154.A O no hydrogen 3.335 N/A ALA 162.A N TYR 158.A O no hydrogen 3.063 N/A ASP 163.A N GLU 159.A O no hydrogen 2.947 N/A ALA 164.A N ALA 160.A O no hydrogen 3.090 N/A TYR 165.A OH GLU 329.A OE2 no hydrogen 2.838 N/A TRP 167.A NE1 ALA 162.A O no hydrogen 2.853 N/A SER 168.A N ASP 166.A OD1 no hydrogen 3.260 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.386 N/A VAL 170.A N TRP 167.A O no hydrogen 3.391 N/A ARG 171.A N ASP 236.A OD1 no hydrogen 3.359 N/A ARG 171.A N ASP 236.A OD2 no hydrogen 3.408 N/A HIS 172.A ND1 ARG 194.A O no hydrogen 3.394 N/A VAL 173.A N ARG 194.A O no hydrogen 2.994 N/A LEU 174.A N VAL 237.A O no hydrogen 2.848 N/A ASP 175.A N THR 196.A O no hydrogen 2.814 N/A VAL 176.A N LEU 239.A O no hydrogen 3.013 N/A GLY 177.A N VAL 198.A O no hydrogen 2.852 N/A GLY 179.A N GLU 199.A OE2 no hydrogen 2.863 N/A GLY 181.A N GLY 178.A O no hydrogen 3.176 N/A ALA 184.A N GLY 181.A O no hydrogen 2.942 N/A ALA 185.A N GLY 182.A O no hydrogen 3.060 N/A ALA 187.A N LEU 183.A O no hydrogen 2.815 N/A LEU 188.A N ALA 184.A O no hydrogen 3.117 N/A ARG 189.A N ALA 185.A O no hydrogen 3.419 N/A ARG 189.A NE ALA 185.A O no hydrogen 2.918 N/A ARG 189.A NH1 GLU 159.A OE1 no hydrogen 2.883 N/A ARG 189.A NH1 ASP 163.A OD1 no hydrogen 3.481 N/A ARG 189.A NH2 GLU 159.A OE2 no hydrogen 3.286 N/A ALA 190.A N ILE 186.A O no hydrogen 2.872 N/A ALA 190.A N ALA 187.A O no hydrogen 3.332 N/A LEU 193.A N ALA 190.A O no hydrogen 3.160 N/A ARG 194.A N ARG 171.A O no hydrogen 2.919 N/A ARG 194.A NH1 HIS 192.A O no hydrogen 3.354 N/A GLY 195.A N ARG 219.A O no hydrogen 2.982 N/A THR 196.A N VAL 173.A O no hydrogen 2.961 N/A LEU 197.A N THR 221.A O no hydrogen 3.038 N/A VAL 198.A N ASP 175.A O no hydrogen 3.038 N/A GLU 199.A N ALA 223.A O no hydrogen 3.269 N/A LEU 200.A N GLU 199.A OE1 no hydrogen 2.876 N/A GLY 202.A N SER 138.A OG no hydrogen 2.947 N/A ALA 204.A N LEU 200.A O no hydrogen 3.027 N/A GLU 205.A N ALA 201.A O no hydrogen 3.066 N/A ARG 206.A N GLY 202.A O no hydrogen 3.447 N/A ALA 207.A N PRO 203.A O no hydrogen 2.905 N/A ALA 207.A N ALA 204.A O no hydrogen 3.240 N/A ARG 208.A N ALA 204.A O no hydrogen 3.169 N/A ARG 209.A N GLU 205.A O no hydrogen 3.333 N/A ARG 210.A N ARG 206.A O no hydrogen 3.123 N/A ARG 210.A NH1 ASN 180.A O no hydrogen 3.222 N/A PHE 211.A N ALA 207.A O no hydrogen 2.922 N/A ALA 212.A N ARG 208.A O no hydrogen 2.961 N/A ASP 213.A N ARG 209.A O no hydrogen 3.002 N/A ALA 214.A N ARG 210.A O no hydrogen 3.088 N/A GLY 215.A N ALA 212.A O no hydrogen 3.079 N/A LEU 216.A N PHE 211.A O no hydrogen 2.828 N/A ARG 219.A N LEU 216.A O no hydrogen 3.194 N/A ARG 219.A NH1 ALA 187.A O no hydrogen 2.970 N/A ARG 219.A NH1 LEU 193.A O no hydrogen 3.205 N/A ARG 219.A NH2 ALA 187.A O no hydrogen 3.016 N/A VAL 220.A N LEU 216.A O no hydrogen 2.820 N/A THR 221.A N GLY 195.A O no hydrogen 3.059 N/A ALA 223.A N LEU 197.A O no hydrogen 2.832 N/A GLY 225.A N GLU 199.A O no hydrogen 2.996 N/A PHE 228.A N ASP 226.A OD1 no hydrogen 3.336 N/A THR 234.A OG1 GLU 264.A OE2 no hydrogen 2.938 N/A ALA 235.A N ALA 262.A O no hydrogen 3.223 N/A VAL 237.A N HIS 172.A O no hydrogen 3.154 N/A VAL 238.A N ARG 268.A O no hydrogen 3.133 N/A LEU 239.A N LEU 174.A O no hydrogen 2.772 N/A LEU 240.A N LEU 270.A O no hydrogen 3.088 N/A PHE 242.A N LEU 272.A O no hydrogen 2.897 N/A ASN 246.A N VAL 243.A O no hydrogen 2.908 N/A TRP 247.A N LEU 244.A O no hydrogen 3.089 N/A SER 248.A OG GLU 250.A OE2 no hydrogen 3.122 N/A SER 248.A OG ASP 251.A OD2 no hydrogen 2.626 N/A ASP 251.A N SER 248.A OG no hydrogen 3.176 N/A ALA 252.A N SER 248.A O no hydrogen 2.982 N/A THR 254.A N GLU 250.A O no hydrogen 3.271 N/A ILE 255.A N ASP 251.A O no hydrogen 3.089 N/A LEU 256.A N ALA 252.A O no hydrogen 2.952 N/A ARG 257.A N LEU 253.A O no hydrogen 2.711 N/A GLY 258.A N THR 254.A O no hydrogen 3.330 N/A CYS 259.A N ILE 255.A O no hydrogen 3.087 N/A CYS 259.A SG ILE 255.A O no hydrogen 3.566 N/A VAL 260.A N LEU 256.A O no hydrogen 2.971 N/A ARG 261.A N ARG 257.A O no hydrogen 3.160 N/A ALA 262.A N GLY 258.A O no hydrogen 3.206 N/A LEU 263.A N VAL 260.A O no hydrogen 3.207 N/A GLU 264.A N ALA 235.A O no hydrogen 2.931 N/A ARG 268.A N ASP 236.A O no hydrogen 3.205 N/A ARG 268.A NE GLU 329.A OE2 no hydrogen 3.231 N/A LEU 269.A N PHE 330.A O no hydrogen 3.057 N/A LEU 270.A N VAL 238.A O no hydrogen 3.054 N/A VAL 271.A N LEU 328.A O no hydrogen 2.930 N/A LEU 272.A N LEU 240.A O no hydrogen 3.187 N/A ASP 273.A N SER 326.A O no hydrogen 3.107 N/A ARG 274.A N ASP 273.A OD2 no hydrogen 3.013 N/A PHE 279.A N ALA 275.A O no hydrogen 3.323 N/A SER 280.A OG ARG 277.A O no hydrogen 3.481 N/A THR 281.A OG1 PHE 278.A O no hydrogen 3.160 N/A LEU 282.A N PHE 278.A O no hydrogen 3.038 N/A LEU 283.A N PHE 279.A O no hydrogen 3.265 N/A ASP 284.A N SER 280.A O no hydrogen 3.027 N/A LEU 285.A N THR 281.A O no hydrogen 2.964 N/A ARG 286.A N LEU 282.A O no hydrogen 3.146 N/A ARG 286.A NE ASP 108.A OD1 no hydrogen 2.895 N/A ARG 286.A NH2 ASP 108.A OD1 no hydrogen 3.375 N/A ARG 286.A NH2 ASP 108.A OD2 no hydrogen 3.017 N/A THR 288.A N LEU 285.A O no hydrogen 2.747 N/A THR 288.A OG1 LEU 285.A O no hydrogen 2.945 N/A PHE 289.A N ARG 286.A O no hydrogen 2.926 N/A ARG 292.A NE ASP 249.A OD1 no hydrogen 3.234 N/A ARG 292.A NH1 GLU 298.A OE2 no hydrogen 2.923 N/A ARG 292.A NH2 ASP 249.A OD1 no hydrogen 3.031 N/A ARG 292.A NH2 ASP 249.A OD2 no hydrogen 3.416 N/A ARG 292.A NH2 GLU 298.A OE2 no hydrogen 3.340 N/A ARG 294.A NH1 TRP 247.A O no hydrogen 3.252 N/A ARG 294.A NH1 ASP 249.A OD1 no hydrogen 2.912 N/A ARG 294.A NH2 TRP 247.A O no hydrogen 2.776 N/A THR 295.A N GLU 298.A OE1 no hydrogen 2.946 N/A THR 295.A OG1 GLU 298.A OE1 no hydrogen 2.862 N/A VAL 299.A N THR 295.A O no hydrogen 3.282 N/A VAL 300.A N ARG 296.A O no hydrogen 3.384 N/A ALA 303.A N VAL 299.A O no hydrogen 2.890 N/A GLY 304.A N VAL 300.A O no hydrogen 2.913 N/A SER 305.A N ASP 301.A O no hydrogen 2.951 N/A ALA 306.A N ALA 303.A O no hydrogen 2.975 N/A GLY 307.A N GLY 304.A O no hydrogen 3.414 N/A LEU 308.A N ALA 303.A O no hydrogen 3.160 N/A ALA 309.A N THR 331.A O no hydrogen 2.867 N/A ALA 311.A N GLU 329.A O no hydrogen 2.815 N/A SER 312.A N GLU 329.A O no hydrogen 3.371 N/A SER 312.A OG GLU 329.A OE1 no hydrogen 2.536 N/A ARG 314.A N ILE 327.A O no hydrogen 3.294 N/A SER 316.A N PHE 325.A O no hydrogen 3.334 N/A SER 316.A OG GLY 317.A O no hydrogen 3.148 N/A LEU 321.A N SER 318.A OG no hydrogen 3.060 N/A PHE 325.A N SER 316.A O no hydrogen 3.462 N/A SER 326.A N ASP 273.A O no hydrogen 3.292 N/A ILE 327.A N ARG 314.A O no hydrogen 3.134 N/A LEU 328.A N VAL 271.A O no hydrogen 3.044 N/A GLU 329.A N SER 312.A O no hydrogen 3.017 N/A PHE 330.A N LEU 269.A O no hydrogen 2.800 N/A THR 331.A N ALA 309.A O no hydrogen 3.055 N/A VAL 333.A N GLY 307.A O no hydrogen 3.045 N/A