Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASN 1.A OD1 no hydrogen 3.155 N/A THR 4.A N GLU 55.A O no hydrogen 2.807 N/A LEU 5.A N PHE 12.A O no hydrogen 2.869 N/A ARG 6.A N THR 53.A O no hydrogen 2.657 N/A ALA 7.A N ARG 10.A O no hydrogen 3.155 N/A ARG 10.A N ALA 7.A O no hydrogen 2.627 N/A PHE 12.A N LEU 5.A O no hydrogen 2.865 N/A THR 13.A OG1 VAL 3.A O no hydrogen 3.542 N/A TRP 15.A NE1 PHE 12.A O no hydrogen 3.246 N/A THR 16.A N GLY 34.A O no hydrogen 2.773 N/A SER 17.A N GLY 34.A O no hydrogen 2.859 N/A VAL 18.A N LEU 300.A O no hydrogen 3.029 N/A SER 19.A N GLU 32.A O no hydrogen 3.040 N/A VAL 20.A N LEU 298.A O no hydrogen 2.872 N/A THR 21.A N TYR 30.A O no hydrogen 2.719 N/A THR 21.A OG1 THR 297.A OG1 no hydrogen 3.132 N/A ARG 22.A N VAL 296.A O no hydrogen 3.043 N/A ARG 22.A NH1 ASP 86.A OD2 no hydrogen 3.082 N/A ARG 22.A NH1 SER 164.A OG no hydrogen 2.895 N/A ARG 22.A NH2 VAL 61.A O no hydrogen 3.399 N/A ARG 22.A NH2 ASP 86.A OD1 no hydrogen 3.019 N/A ARG 22.A NH2 ASP 86.A OD2 no hydrogen 2.863 N/A ILE 24.A N SER 294.A O no hydrogen 2.802 N/A SER 26.A N SER 23.A O no hydrogen 3.301 N/A SER 26.A OG ALA 28.A O no hydrogen 3.380 N/A ALA 28.A N SER 26.A OG no hydrogen 2.988 N/A GLY 29.A N ASP 86.A OD2 no hydrogen 2.520 N/A TYR 30.A N THR 21.A O no hydrogen 2.751 N/A TYR 30.A OH GLU 32.A OE2 no hydrogen 2.998 N/A PHE 31.A N GLY 84.A O no hydrogen 3.028 N/A GLU 32.A N SER 19.A O no hydrogen 2.877 N/A LEU 33.A N VAL 82.A O no hydrogen 2.844 N/A GLY 34.A N SER 17.A O no hydrogen 2.716 N/A VAL 35.A N ILE 80.A O no hydrogen 3.123 N/A VAL 37.A N MET 78.A O no hydrogen 3.006 N/A THR 41.A OG1 PRO 38.A O no hydrogen 2.437 N/A SER 44.A N ASP 42.A OD1 no hydrogen 3.331 N/A SER 44.A OG ASP 42.A OD1 no hydrogen 3.086 N/A SER 44.A OG ASP 42.A OD2 no hydrogen 2.869 N/A LEU 46.A N LEU 43.A O no hydrogen 3.005 N/A GLY 49.A N ILE 66.A O no hydrogen 2.799 N/A LYS 50.A N ALA 47.A O no hydrogen 3.058 N/A LYS 50.A NZ ASP 8.A OD2 no hydrogen 3.341 N/A PHE 52.A N GLY 64.A O no hydrogen 2.950 N/A THR 53.A N ARG 6.A O no hydrogen 2.900 N/A LEU 54.A N CYS 62.A O no hydrogen 2.826 N/A GLU 55.A N THR 4.A O no hydrogen 2.718 N/A ILE 56.A N GLN 59.A O no hydrogen 3.103 N/A GLY 57.A N THR 2.A O no hydrogen 2.765 N/A VAL 61.A N LEU 54.A O no hydrogen 2.832 N/A CYS 62.A SG ASP 86.A OD1 no hydrogen 3.596 N/A GLY 64.A N PHE 52.A O no hydrogen 3.406 N/A TYR 65.A N ARG 85.A O no hydrogen 3.319 N/A ILE 66.A N LYS 50.A O no hydrogen 2.817 N/A ASP 67.A N ALA 83.A O no hydrogen 2.699 N/A SER 68.A N ALA 83.A O no hydrogen 2.946 N/A ARG 69.A NH1 LEU 43.A O no hydrogen 2.856 N/A ARG 70.A N THR 81.A O no hydrogen 2.814 N/A GLN 72.A N LYS 79.A O no hydrogen 2.922 N/A THR 74.A N SER 77.A O no hydrogen 2.897 N/A THR 74.A OG1 SER 77.A O no hydrogen 3.325 N/A SER 77.A N THR 74.A OG1 no hydrogen 3.052 N/A LYS 79.A N GLN 72.A O no hydrogen 2.795 N/A LYS 79.A NZ GLN 72.A OE1 no hydrogen 3.328 N/A LYS 79.A NZ THR 81.A OG1 no hydrogen 3.280 N/A ILE 80.A N VAL 35.A O no hydrogen 2.878 N/A THR 81.A N ARG 70.A O no hydrogen 2.909 N/A VAL 82.A N LEU 33.A O no hydrogen 2.964 N/A ALA 83.A N SER 68.A O no hydrogen 3.010 N/A GLY 84.A N PHE 31.A O no hydrogen 3.109 N/A ARG 85.A N TYR 65.A O no hydrogen 3.410 N/A ARG 85.A NE ASP 67.A OD2 no hydrogen 2.665 N/A ARG 85.A NH1 ASP 93.A OD1 no hydrogen 3.236 N/A ARG 85.A NH2 ASP 67.A OD1 no hydrogen 3.050 N/A ARG 85.A NH2 ASP 93.A OD2 no hydrogen 3.074 N/A ASP 86.A N GLY 29.A O no hydrogen 3.151 N/A LYS 87.A N THR 63.A O no hydrogen 2.951 N/A LYS 87.A NZ GLY 120.A O no hydrogen 2.626 N/A THR 88.A OG1 VAL 27.A O no hydrogen 2.230 N/A ALA 89.A N ASP 86.A O no hydrogen 2.762 N/A ASP 90.A N LYS 87.A O no hydrogen 3.229 N/A LEU 91.A N THR 88.A O no hydrogen 2.952 N/A ASP 93.A N ALA 89.A O no hydrogen 2.951 N/A CYS 94.A N ASP 90.A O no hydrogen 2.682 N/A CYS 94.A SG ASP 90.A O no hydrogen 3.264 N/A ALA 96.A N GLU 145.A O no hydrogen 2.697 N/A TYR 98.A OH ASP 114.A OD2 no hydrogen 3.383 N/A TRP 103.A N PHE 139.A O no hydrogen 2.829 N/A TRP 103.A NE1 ASP 114.A OD2 no hydrogen 2.589 N/A ASN 105.A N PRO 137.A O no hydrogen 2.924 N/A THR 107.A N GLN 110.A OE1 no hydrogen 3.107 N/A GLN 110.A N THR 107.A OG1 no hydrogen 3.114 N/A ILE 111.A N THR 107.A O no hydrogen 2.830 N/A ALA 112.A N LEU 108.A O no hydrogen 2.826 N/A ARG 113.A N GLU 109.A O no hydrogen 2.970 N/A ARG 113.A NH1 GLU 109.A OE2 no hydrogen 3.011 N/A ARG 113.A NH2 GLU 109.A OE2 no hydrogen 2.869 N/A ASP 114.A N GLN 110.A O no hydrogen 3.271 N/A LEU 115.A N ILE 111.A O no hydrogen 3.024 N/A CYS 116.A N ALA 112.A O no hydrogen 2.706 N/A ALA 117.A N ARG 113.A O no hydrogen 2.769 N/A TYR 119.A N CYS 116.A O no hydrogen 2.776 N/A TYR 119.A OH ALA 95.A O no hydrogen 2.533 N/A GLY 120.A N ALA 117.A O no hydrogen 2.744 N/A VAL 121.A N CYS 116.A O no hydrogen 3.477 N/A THR 122.A OG1 GLU 169.A OE2 no hydrogen 3.286 N/A ARG 124.A N LEU 170.A O no hydrogen 2.591 N/A ARG 124.A NE GLU 126.A OE2 no hydrogen 3.362 N/A GLU 126.A N PHE 172.A O no hydrogen 2.968 N/A SER 132.A N ASP 129.A OD2 no hydrogen 2.985 N/A SER 132.A OG ASP 129.A O no hydrogen 3.302 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.638 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.939 N/A SER 133.A OG ASP 129.A O no hydrogen 3.419 N/A ALA 134.A N GLU 131.A O no hydrogen 3.129 N/A PHE 136.A N ARG 106.A O no hydrogen 2.777 N/A PHE 139.A N TRP 103.A O no hydrogen 3.126 N/A LEU 141.A N GLY 101.A O no hydrogen 3.275 N/A ASP 142.A N GLU 145.A OE2 no hydrogen 2.647 N/A SER 144.A OG HIS 143.A O no hydrogen 2.700 N/A GLU 145.A N ASP 142.A O no hydrogen 2.932 N/A THR 146.A N GLU 149.A OE1 no hydrogen 2.738 N/A VAL 147.A N CYS 94.A O no hydrogen 3.045 N/A TYR 148.A N LEU 91.A O no hydrogen 2.911 N/A GLU 149.A N THR 146.A OG1 no hydrogen 2.932 N/A ALA 150.A N THR 146.A O no hydrogen 3.065 N/A LEU 151.A N VAL 147.A O no hydrogen 2.913 N/A VAL 152.A N TYR 148.A O no hydrogen 2.872 N/A VAL 152.A N GLU 149.A O no hydrogen 3.239 N/A ARG 153.A N GLU 149.A O no hydrogen 3.289 N/A ARG 153.A NH2 THR 140.A O no hydrogen 3.078 N/A ARG 153.A NH2 GLU 145.A OE2 no hydrogen 2.838 N/A ALA 154.A N ALA 150.A O no hydrogen 3.173 N/A SER 155.A N LEU 151.A O no hydrogen 2.821 N/A SER 155.A OG LEU 151.A O no hydrogen 2.573 N/A SER 155.A OG VAL 152.A O no hydrogen 2.906 N/A ARG 156.A N VAL 152.A O no hydrogen 2.789 N/A ALA 157.A N ARG 153.A O no hydrogen 3.078 N/A ARG 158.A N SER 155.A O no hydrogen 2.980 N/A ARG 158.A NE ALA 134.A O no hydrogen 3.050 N/A ARG 158.A NH1 ALA 157.A O no hydrogen 3.042 N/A ARG 158.A NH2 ALA 134.A O no hydrogen 3.234 N/A GLY 159.A N ARG 156.A O no hydrogen 3.297 N/A VAL 160.A N SER 155.A O no hydrogen 3.148 N/A LEU 161.A N SER 173.A O no hydrogen 2.688 N/A THR 163.A N VAL 171.A O no hydrogen 2.856 N/A SER 164.A OG ASP 86.A OD2 no hydrogen 2.778 N/A GLY 168.A N ASN 165.A O no hydrogen 2.895 N/A LEU 170.A N THR 122.A O no hydrogen 2.978 N/A VAL 171.A N THR 163.A O no hydrogen 2.691 N/A PHE 172.A N ARG 124.A O no hydrogen 2.808 N/A SER 173.A N LEU 161.A O no hydrogen 3.054 N/A ARG 174.A NE GLY 159.A O no hydrogen 3.197 N/A ARG 174.A NH1 ASP 129.A OD1 no hydrogen 2.974 N/A ARG 174.A NH2 ASP 129.A OD2 no hydrogen 3.503 N/A THR 180.A N LEU 276.A O no hydrogen 3.084 N/A THR 180.A OG1 THR 178.A O no hydrogen 3.377 N/A LEU 183.A N THR 278.A O no hydrogen 2.839 N/A VAL 184.A N ASN 188.A OD1 no hydrogen 2.811 N/A LEU 185.A N ASP 280.A O no hydrogen 2.998 N/A GLY 186.A N LEU 189.A O no hydrogen 2.928 N/A GLU 187.A N VAL 184.A O no hydrogen 3.059 N/A ASN 188.A ND2 GLU 182.A O no hydrogen 2.832 N/A LEU 189.A N VAL 184.A O no hydrogen 3.148 N/A LEU 190.A N GLU 259.A O no hydrogen 2.757 N/A THR 191.A N GLU 259.A O no hydrogen 3.376 N/A ASP 193.A N GLU 257.A O no hydrogen 2.795 N/A GLU 195.A N THR 255.A O no hydrogen 2.738 N/A ASP 197.A N SER 253.A O no hydrogen 2.760 N/A ARG 199.A N ASP 197.A OD1 no hydrogen 2.865 N/A ARG 199.A NE ASP 197.A OD1 no hydrogen 3.041 N/A ARG 199.A NE ASP 197.A OD2 no hydrogen 3.066 N/A ARG 199.A NH2 ASP 197.A OD2 no hydrogen 2.710 N/A ARG 201.A N PHE 198.A O no hydrogen 3.198 N/A ARG 201.A NE ASP 216.A OD2 no hydrogen 2.932 N/A ARG 201.A NH1 SER 253.A OG no hydrogen 2.739 N/A ARG 201.A NH2 ASP 216.A OD1 no hydrogen 3.049 N/A ARG 201.A NH2 ASP 216.A OD2 no hydrogen 3.136 N/A ARG 201.A NH2 ASP 218.A OD1 no hydrogen 3.313 N/A PHE 202.A N TYR 205.A OH no hydrogen 2.771 N/A SER 203.A N ARG 223.A O no hydrogen 2.715 N/A GLU 204.A N ARG 223.A O no hydrogen 3.395 N/A TYR 205.A N ALA 214.A O no hydrogen 2.704 N/A THR 206.A N MET 225.A O no hydrogen 2.870 N/A VAL 207.A N GLY 212.A O no hydrogen 3.121 N/A LYS 208.A N ILE 227.A O no hydrogen 2.493 N/A LYS 208.A NZ ALA 229.A O no hydrogen 3.354 N/A ARG 210.A NH1 LYS 211.A O no hydrogen 3.469 N/A ALA 214.A N TYR 205.A O no hydrogen 3.047 N/A ASP 216.A N SER 203.A O no hydrogen 2.852 N/A ASP 218.A N ASP 216.A OD1 no hydrogen 3.129 N/A VAL 219.A N ASP 216.A O no hydrogen 2.975 N/A ARG 223.A N SER 203.A OG no hydrogen 2.793 N/A ARG 223.A NE ARG 201.A O no hydrogen 2.993 N/A ARG 223.A NH2 ARG 201.A O no hydrogen 3.034 N/A MET 225.A N GLU 204.A O no hydrogen 3.001 N/A ILE 227.A N THR 206.A O no hydrogen 2.630 N/A THR 234.A OG1 ASP 237.A OD2 no hydrogen 3.564 N/A ALA 238.A N THR 234.A O no hydrogen 2.953 N/A GLN 239.A N ALA 235.A O no hydrogen 3.319 N/A ALA 240.A N LYS 236.A O no hydrogen 2.878 N/A ARG 241.A N ASP 237.A O no hydrogen 3.192 N/A ALA 242.A N ALA 238.A O no hydrogen 2.969 N/A LEU 243.A N GLN 239.A O no hydrogen 2.983 N/A ARG 244.A N ALA 240.A O no hydrogen 2.816 N/A ARG 244.A NE GLU 323.A OE2 no hydrogen 2.796 N/A ARG 244.A NH2 GLU 323.A OE1 no hydrogen 3.015 N/A ARG 244.A NH2 GLU 323.A OE2 no hydrogen 3.370 N/A GLU 245.A N ARG 241.A O no hydrogen 3.057 N/A GLN 246.A N ALA 242.A O no hydrogen 3.150 N/A ARG 247.A N LEU 243.A O no hydrogen 3.027 N/A ARG 247.A NH1 LEU 319.A O no hydrogen 3.115 N/A ARG 248.A N ARG 244.A O no hydrogen 2.881 N/A ARG 249.A N GLU 245.A O no hydrogen 3.197 N/A ARG 249.A NE GLU 245.A OE2 no hydrogen 2.901 N/A ARG 249.A NH1 ASP 200.A O no hydrogen 3.203 N/A ARG 249.A NH2 GLU 245.A OE2 no hydrogen 2.823 N/A LEU 250.A N GLN 246.A O no hydrogen 3.024 N/A ALA 251.A N ARG 247.A O no hydrogen 2.891 N/A LYS 252.A N ARG 248.A O no hydrogen 3.281 N/A SER 253.A N LEU 250.A O no hydrogen 2.977 N/A SER 253.A OG ASP 197.A O no hydrogen 2.842 N/A ILE 254.A N LEU 250.A O no hydrogen 3.154 N/A THR 255.A N GLU 195.A O no hydrogen 2.842 N/A PHE 256.A N LEU 312.A O no hydrogen 2.908 N/A GLU 257.A N ASP 193.A O no hydrogen 2.745 N/A ALA 258.A N VAL 310.A O no hydrogen 2.713 N/A GLU 259.A N THR 191.A O no hydrogen 2.793 N/A ILE 260.A N THR 308.A O no hydrogen 2.865 N/A ASP 261.A N ASN 188.A O no hydrogen 3.023 N/A GLY 262.A N LEU 306.A O no hydrogen 2.939 N/A TRP 263.A NE1 ILE 299.A O no hydrogen 2.910 N/A TRP 263.A NE1 LYS 307.A O no hydrogen 2.980 N/A ARG 265.A N GLN 269.A O no hydrogen 2.637 N/A ARG 265.A NE ASP 181.A OD1 no hydrogen 2.903 N/A ARG 265.A NE ASP 181.A OD2 no hydrogen 3.099 N/A ARG 265.A NH2 ASP 181.A OD2 no hydrogen 2.569 N/A LYS 266.A NZ THR 180.A O no hydrogen 3.063 N/A GLY 268.A N ARG 265.A O no hydrogen 3.180 N/A GLN 269.A N ASP 267.A OD2 no hydrogen 2.978 N/A TRP 271.A N TRP 263.A O no hydrogen 3.034 N/A ASN 274.A N VAL 293.A O no hydrogen 2.673 N/A VAL 277.A N LEU 291.A O no hydrogen 2.823 N/A THR 278.A N ASP 181.A O no hydrogen 3.156 N/A ASP 280.A N LEU 183.A O no hydrogen 2.768 N/A ALA 281.A N ILE 286.A O no hydrogen 2.416 N/A SER 282.A N ASP 280.A OD1 no hydrogen 3.226 N/A SER 282.A OG ASP 280.A OD1 no hydrogen 2.461 N/A TYR 284.A N ALA 281.A O no hydrogen 2.690 N/A ALA 285.A N SER 282.A O no hydrogen 2.675 N/A ILE 286.A N ALA 281.A O no hydrogen 3.007 N/A LYS 287.A NZ ILE 279.A O no hydrogen 2.904 N/A THR 288.A N ILE 279.A O no hydrogen 2.916 N/A LEU 291.A N VAL 277.A O no hydrogen 2.934 N/A LEU 292.A N ALA 313.A O no hydrogen 2.821 N/A VAL 293.A N LEU 275.A O no hydrogen 2.906 N/A SER 294.A N SER 311.A O no hydrogen 2.873 N/A SER 294.A OG SER 311.A O no hydrogen 3.256 N/A VAL 296.A N ARG 22.A O no hydrogen 2.968 N/A THR 297.A N ARG 309.A O no hydrogen 2.857 N/A THR 297.A OG1 THR 21.A OG1 no hydrogen 3.132 N/A LEU 298.A N VAL 20.A O no hydrogen 2.771 N/A ILE 299.A N LYS 307.A O no hydrogen 2.959 N/A LEU 300.A N VAL 18.A O no hydrogen 2.890 N/A ASN 301.A N GLY 305.A O no hydrogen 3.441 N/A ASN 301.A ND2 ASP 304.A OD2 no hydrogen 2.766 N/A GLY 305.A N ASN 301.A O no hydrogen 3.173 N/A LYS 307.A N ILE 299.A O no hydrogen 3.163 N/A LYS 307.A NZ GLU 259.A OE1 no hydrogen 3.246 N/A LYS 307.A NZ ASP 304.A O no hydrogen 3.545 N/A THR 308.A N ILE 260.A O no hydrogen 3.134 N/A THR 308.A OG1 GLY 262.A O no hydrogen 2.567 N/A ARG 309.A N THR 297.A O no hydrogen 2.849 N/A ARG 309.A NE GLU 259.A OE2 no hydrogen 3.472 N/A VAL 310.A N ALA 258.A O no hydrogen 2.810 N/A SER 311.A N LYS 295.A O no hydrogen 2.931 N/A SER 311.A OG GLU 257.A OE1 no hydrogen 2.664 N/A SER 311.A OG GLU 257.A OE2 no hydrogen 3.484 N/A LEU 312.A N PHE 256.A O no hydrogen 2.792 N/A ALA 313.A N LEU 292.A O no hydrogen 3.007 N/A ARG 315.A NE ALA 176.A O no hydrogen 2.649 N/A ARG 315.A NH2 ALA 175.A O no hydrogen 2.918 N/A GLY 317.A N PRO 314.A O no hydrogen 2.835 N/A PHE 318.A N ARG 315.A O no hydrogen 2.827 N/A LEU 319.A N GLU 316.A O no hydrogen 3.464 N/A GLU 323.A N ARG 156.A O no hydrogen 3.196 N/A SER 324.A N ASP 237.A OD1 no hydrogen 2.645 N/A SER 324.A OG ASP 237.A OD1 no hydrogen 3.316 N/A SER 324.A OG ASP 237.A OD2 no hydrogen 2.572 N/A