Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1vru_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 8.A N GLN 82.A OE1 no hydrogen 3.233 N/A LYS 8.A NZ VAL 7.A O no hydrogen 3.268 N/A LYS 10.A N ARG 80.A O no hydrogen 3.061 N/A LYS 10.A NZ LYS 79.A O no hydrogen 3.108 N/A MET 13.A N LYS 10.A O no hydrogen 3.049 N/A GLY 15.A N ASP 14.A OD1 no hydrogen 2.704 N/A VAL 18.A N ASN 54.A O no hydrogen 2.888 N/A GLN 20.A NE2 TRP 21.A O no hydrogen 3.170 N/A GLN 20.A NE2 VAL 57.A O no hydrogen 2.949 N/A LYS 27.A NZ GLU 386.A OE2 no hydrogen 2.743 N/A ILE 28.A N THR 24.A O no hydrogen 3.101 N/A LYS 29.A N GLU 25.A O no hydrogen 3.041 N/A ALA 30.A N GLU 26.A O no hydrogen 3.185 N/A LEU 31.A N LYS 27.A O no hydrogen 3.131 N/A VAL 32.A N ILE 28.A O no hydrogen 2.810 N/A GLU 33.A N LYS 29.A O no hydrogen 3.027 N/A ILE 34.A N ALA 30.A O no hydrogen 2.991 N/A CYS 35.A N LEU 31.A O no hydrogen 2.950 N/A CYS 35.A SG LEU 31.A O no hydrogen 3.401 N/A THR 36.A N VAL 32.A O no hydrogen 3.169 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.899 N/A GLU 37.A N GLU 33.A O no hydrogen 3.323 N/A MET 38.A N ILE 34.A O no hydrogen 3.003 N/A GLU 39.A N CYS 35.A O no hydrogen 2.828 N/A LYS 40.A N THR 36.A O no hydrogen 2.878 N/A GLU 41.A N GLU 37.A O no hydrogen 3.154 N/A GLY 42.A N GLU 39.A O no hydrogen 3.212 N/A LYS 43.A N MET 38.A O no hydrogen 2.794 N/A SER 45.A N GLN 142.A O no hydrogen 2.762 N/A SER 45.A OG ASN 144.A OD1 no hydrogen 2.835 N/A ILE 47.A N ARG 140.A O no hydrogen 2.966 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.721 N/A ASN 51.A N GLY 48.A O no hydrogen 3.144 N/A ASN 51.A ND2 LYS 123.A O no hydrogen 2.774 N/A TYR 53.A N ASN 51.A OD1 no hydrogen 2.935 N/A TYR 53.A OH ASP 14.A OD1 no hydrogen 2.776 N/A ASN 54.A N PRO 16.A O no hydrogen 2.905 N/A THR 55.A N ALA 126.A O no hydrogen 2.989 N/A VAL 57.A N GLN 20.A OE1 no hydrogen 2.736 N/A PHE 58.A N LEU 71.A O no hydrogen 2.732 N/A ILE 60.A N ARG 69.A O no hydrogen 2.756 N/A LYS 61.A NZ THR 66.A O no hydrogen 3.348 N/A LYS 63.A NZ GLY 215.A O no hydrogen 3.286 N/A SER 65.A OG LYS 63.A O no hydrogen 2.999 N/A ARG 69.A N ILE 60.A O no hydrogen 2.650 N/A LYS 70.A NZ TYR 143.A OH no hydrogen 2.808 N/A LEU 71.A N PHE 58.A O no hydrogen 2.644 N/A ASP 73.A N PRO 56.A O no hydrogen 2.986 N/A ARG 75.A N ASP 73.A OD1 no hydrogen 3.427 N/A ARG 75.A NE ASP 73.A OD1 no hydrogen 2.904 N/A ARG 75.A NH2 ASP 73.A OD2 no hydrogen 3.074 N/A ASN 78.A N PHE 74.A O no hydrogen 2.674 N/A ASN 78.A ND2 GLY 149.A O no hydrogen 3.196 N/A LYS 79.A N ARG 75.A O no hydrogen 3.239 N/A LYS 79.A N GLU 76.A O no hydrogen 3.292 N/A LYS 79.A NZ GLU 76.A OE1 no hydrogen 3.474 N/A ARG 80.A N LEU 77.A O no hydrogen 2.828 N/A ARG 80.A NE GLU 76.A OE2 no hydrogen 2.871 N/A ARG 80.A NH1 ASP 14.A O no hydrogen 3.358 N/A ARG 80.A NH2 GLU 76.A OE2 no hydrogen 3.098 N/A THR 81.A OG1 LEU 77.A O no hydrogen 2.908 N/A GLN 82.A N LYS 8.A O no hydrogen 2.983 N/A GLN 88.A N GLU 86.A O no hydrogen 2.658 N/A LEU 97.A N PRO 94.A O no hydrogen 2.925 N/A LYS 98.A NZ ALA 95.A O no hydrogen 2.739 N/A LYS 99.A N GLY 96.A O no hydrogen 2.755 N/A LYS 100.A N LEU 97.A O no hydrogen 3.180 N/A LYS 100.A NZ ASP 174.A O no hydrogen 3.468 N/A LYS 100.A NZ ASP 189.A OD2 no hydrogen 3.489 N/A LYS 101.A N ASP 189.A OD1 no hydrogen 2.911 N/A LYS 101.A NZ ASP 189.A OD1 no hydrogen 3.211 N/A SER 102.A N SER 188.A O no hydrogen 2.997 N/A SER 102.A OG HIS 219.A ND1 no hydrogen 3.406 N/A VAL 103.A N LEU 218.A O no hydrogen 2.863 N/A THR 104.A N VAL 186.A O no hydrogen 2.817 N/A VAL 105.A N TYR 216.A O no hydrogen 3.363 N/A LEU 106.A N LEU 184.A O no hydrogen 2.626 N/A ASP 107.A N PRO 214.A O no hydrogen 3.269 N/A VAL 108.A N ASP 182.A O no hydrogen 2.942 N/A GLY 109.A N ASP 107.A OD1 no hydrogen 3.289 N/A ALA 111.A N VAL 108.A O no hydrogen 3.010 N/A TYR 112.A N GLY 109.A O no hydrogen 3.188 N/A TYR 112.A OH MET 181.A O no hydrogen 2.660 N/A PHE 113.A N ASP 110.A O no hydrogen 3.301 N/A SER 114.A N ALA 111.A O no hydrogen 3.320 N/A SER 114.A OG ALA 111.A O no hydrogen 2.903 N/A VAL 115.A N TYR 112.A O no hydrogen 3.465 N/A LEU 117.A N ASN 144.A O no hydrogen 2.911 N/A PHE 121.A N ASP 118.A O no hydrogen 3.101 N/A ARG 122.A N ASP 118.A O no hydrogen 3.404 N/A ARG 122.A NE LEU 117.A O no hydrogen 3.208 N/A ARG 122.A NH2 LEU 117.A O no hydrogen 3.488 N/A LYS 123.A NZ ASP 120.A O no hydrogen 2.953 N/A TYR 124.A N PHE 121.A O no hydrogen 2.895 N/A THR 125.A N ARG 122.A O no hydrogen 2.891 N/A THR 125.A OG1 ARG 122.A O no hydrogen 2.474 N/A ALA 126.A N LYS 123.A O no hydrogen 3.352 N/A PHE 127.A N TYR 141.A O no hydrogen 3.017 N/A ILE 129.A N ILE 139.A O no hydrogen 2.891 N/A SER 131.A OG THR 136.A O no hydrogen 3.064 N/A SER 131.A OG THR 136.A OG1 no hydrogen 2.940 N/A ASN 134.A N SER 131.A O no hydrogen 3.295 N/A GLU 135.A N ILE 132.A O no hydrogen 3.083 N/A THR 136.A N SER 131.A OG no hydrogen 2.942 N/A THR 136.A OG1 SER 131.A OG no hydrogen 2.940 N/A GLY 138.A N THR 136.A OG1 no hydrogen 3.130 N/A ILE 139.A N ILE 129.A O no hydrogen 2.970 N/A ARG 140.A NH1 TYR 53.A O no hydrogen 2.956 N/A ARG 140.A NH1 THR 128.A OG1 no hydrogen 2.959 N/A ARG 140.A NH2 TYR 53.A O no hydrogen 2.768 N/A TYR 141.A N PHE 127.A O no hydrogen 3.370 N/A GLN 142.A N SER 45.A O no hydrogen 2.849 N/A TYR 143.A N THR 125.A OG1 no hydrogen 3.005 N/A ASN 144.A N LYS 43.A O no hydrogen 2.775 N/A LEU 146.A N VAL 115.A O no hydrogen 3.093 N/A GLY 149.A N ASP 182.A OD1 no hydrogen 2.960 N/A TRP 150.A NE1 THR 81.A OG1 no hydrogen 2.923 N/A LYS 151.A N ASN 78.A OD1 no hydrogen 3.068 N/A LYS 151.A NZ ASN 78.A O no hydrogen 3.284 N/A LYS 151.A NZ THR 81.A O no hydrogen 3.402 N/A SER 153.A N TRP 150.A O no hydrogen 3.393 N/A SER 153.A OG PRO 147.A O no hydrogen 2.750 N/A ILE 156.A N GLY 152.A O no hydrogen 2.827 N/A PHE 157.A N SER 153.A O no hydrogen 3.057 N/A GLN 158.A N ALA 155.A O no hydrogen 3.012 N/A SER 159.A OG GLN 88.A OE1 no hydrogen 2.586 N/A MET 161.A N PHE 157.A O no hydrogen 3.141 N/A THR 162.A OG1 GLN 158.A O no hydrogen 3.112 N/A LYS 163.A N SER 159.A O no hydrogen 3.143 N/A ILE 164.A N SER 160.A O no hydrogen 3.105 N/A LEU 165.A N MET 161.A O no hydrogen 2.763 N/A ARG 169.A NE ARG 169.A O no hydrogen 2.944 N/A LYS 170.A N GLU 166.A O no hydrogen 3.467 N/A LYS 170.A NZ ARG 169.A O no hydrogen 3.103 N/A GLN 171.A N PRO 167.A O no hydrogen 2.661 N/A ASP 174.A N ASP 174.A OD1 no hydrogen 2.627 N/A VAL 176.A N GLY 187.A O no hydrogen 3.056 N/A TYR 178.A N TYR 185.A O no hydrogen 2.785 N/A TYR 180.A N ASP 183.A O no hydrogen 2.886 N/A ASP 183.A N TYR 180.A O no hydrogen 2.762 N/A LEU 184.A N LEU 106.A O no hydrogen 2.567 N/A TYR 185.A N TYR 178.A O no hydrogen 2.618 N/A VAL 186.A N THR 104.A O no hydrogen 2.769 N/A GLY 187.A N VAL 176.A O no hydrogen 2.732 N/A SER 188.A N SER 102.A O no hydrogen 3.106 N/A GLN 194.A N GLU 191.A O no hydrogen 2.860 N/A HIS 195.A N GLU 191.A O no hydrogen 3.091 N/A HIS 195.A ND1 SER 188.A OG no hydrogen 2.799 N/A ARG 196.A N ILE 192.A O no hydrogen 3.412 N/A THR 197.A N GLN 194.A O no hydrogen 3.288 N/A THR 197.A OG1 GLY 193.A O no hydrogen 3.109 N/A LYS 198.A N GLN 194.A O no hydrogen 3.066 N/A ILE 199.A N HIS 195.A O no hydrogen 3.263 N/A GLU 201.A N THR 197.A O no hydrogen 3.103 N/A LEU 202.A N LYS 198.A O no hydrogen 3.535 N/A ARG 203.A N ILE 199.A O no hydrogen 2.879 N/A ARG 203.A NE THR 213.A O no hydrogen 2.840 N/A ARG 203.A NH2 THR 213.A O no hydrogen 3.044 N/A GLN 204.A N GLU 200.A O no hydrogen 2.969 N/A HIS 205.A N GLU 201.A O no hydrogen 2.618 N/A LEU 206.A N ARG 203.A O no hydrogen 2.719 N/A LEU 207.A N ARG 203.A O no hydrogen 3.140 N/A ARG 208.A N GLN 204.A O no hydrogen 3.457 N/A TRP 209.A N LEU 206.A O no hydrogen 2.750 N/A GLY 210.A N LEU 206.A O no hydrogen 3.264 N/A GLY 210.A N LEU 207.A O no hydrogen 3.368 N/A HIS 219.A ND1 LYS 101.A O no hydrogen 3.075 N/A LYS 222.A N HIS 219.A O no hydrogen 3.329 N/A TRP 223.A N PRO 220.A O no hydrogen 3.271 N/A GLN 226.A N THR 335.A OG1 no hydrogen 3.236 N/A THR 237.A N ASP 240.A OD2 no hydrogen 3.039 N/A VAL 238.A N GLU 275.A O no hydrogen 3.132 N/A ASN 239.A N LEU 273.A O no hydrogen 3.118 N/A ASP 240.A N THR 237.A OG1 no hydrogen 3.198 N/A ILE 241.A N THR 237.A O no hydrogen 3.057 N/A GLN 242.A N VAL 238.A O no hydrogen 3.036 N/A LYS 243.A N ASN 239.A O no hydrogen 2.786 N/A LEU 244.A N ASP 240.A O no hydrogen 2.842 N/A VAL 245.A N ILE 241.A O no hydrogen 2.791 N/A GLY 246.A N GLN 242.A O no hydrogen 3.081 N/A LYS 247.A N LYS 243.A O no hydrogen 2.890 N/A LYS 247.A NZ VAL 229.A O no hydrogen 2.865 N/A LEU 248.A N LEU 244.A O no hydrogen 2.921 N/A ASN 249.A N VAL 245.A O no hydrogen 2.979 N/A ASN 249.A ND2 GLY 246.A O no hydrogen 2.857 N/A TRP 250.A N GLY 246.A O no hydrogen 3.242 N/A TRP 250.A N LYS 247.A O no hydrogen 2.929 N/A ALA 251.A N LYS 247.A O no hydrogen 2.917 N/A SER 252.A N LEU 248.A O no hydrogen 2.878 N/A SER 252.A OG ASN 249.A O no hydrogen 3.218 N/A GLN 253.A N TRP 250.A O no hydrogen 2.842 N/A ILE 254.A N ALA 251.A O no hydrogen 2.879 N/A TYR 255.A N ALA 251.A O no hydrogen 3.072 N/A TYR 255.A OH GLU 296.A O no hydrogen 2.764 N/A ILE 258.A N TYR 255.A O no hydrogen 3.343 N/A LYS 259.A N ASN 290.A OD1 no hydrogen 3.195 N/A GLN 262.A N GLU 286.A OE2 no hydrogen 2.877 N/A LEU 263.A N GLU 286.A OE1 no hydrogen 2.967 N/A CYS 264.A N VAL 260.A O no hydrogen 2.734 N/A LYS 265.A N ARG 261.A O no hydrogen 3.038 N/A LEU 266.A N GLN 262.A O no hydrogen 3.292 N/A LEU 266.A N LEU 263.A O no hydrogen 2.959 N/A LEU 267.A N CYS 264.A O no hydrogen 3.107 N/A LYS 271.A N GLY 269.A O no hydrogen 2.635 N/A GLU 275.A N ALA 272.A O no hydrogen 2.759 N/A ILE 277.A N TRP 236.A O no hydrogen 2.873 N/A THR 280.A OG1 GLU 282.A OE1 no hydrogen 3.321 N/A GLU 284.A N THR 280.A O no hydrogen 2.799 N/A LEU 285.A N GLU 281.A O no hydrogen 3.217 N/A GLU 286.A N GLU 282.A O no hydrogen 3.060 N/A LEU 287.A N ALA 283.A O no hydrogen 3.040 N/A ALA 288.A N GLU 284.A O no hydrogen 2.919 N/A GLU 289.A N LEU 285.A O no hydrogen 2.827 N/A ASN 290.A N GLU 286.A O no hydrogen 3.086 N/A ASN 290.A ND2 LYS 259.A O no hydrogen 2.728 N/A ARG 291.A N LEU 287.A O no hydrogen 2.832 N/A ARG 291.A NH1 LEU 230.A O no hydrogen 3.443 N/A ARG 291.A NH2 PRO 231.A O no hydrogen 3.235 N/A GLU 292.A N ALA 288.A O no hydrogen 3.303 N/A ILE 293.A N GLU 289.A O no hydrogen 3.157 N/A LEU 294.A N ASN 290.A O no hydrogen 3.118 N/A LYS 295.A N GLU 292.A O no hydrogen 3.193 N/A LYS 295.A NZ GLU 292.A OE1 no hydrogen 2.959 N/A LYS 295.A NZ GLU 292.A OE2 no hydrogen 3.455 N/A ASP 304.A N GLN 327.A OE1 no hydrogen 2.887 N/A SER 306.A N ASP 304.A OD1 no hydrogen 2.730 N/A SER 306.A OG ASP 304.A OD1 no hydrogen 2.621 N/A SER 306.A OG ASP 304.A OD2 no hydrogen 2.758 N/A LYS 307.A N ASP 304.A O no hydrogen 3.161 N/A LYS 307.A NZ SER 306.A OG no hydrogen 3.306 N/A ILE 310.A N TYR 326.A O no hydrogen 2.859 N/A ALA 311.A N LYS 370.A O no hydrogen 2.949 N/A GLU 312.A N GLN 324.A O no hydrogen 3.105 N/A GLN 314.A N THR 322.A O no hydrogen 2.709 N/A GLN 314.A NE2 GLN 324.A OE1 no hydrogen 2.837 N/A LYS 315.A NZ ASP 346.A OD2 no hydrogen 2.808 N/A GLN 316.A N GLN 320.A O no hydrogen 2.770 N/A GLN 316.A NE2 THR 322.A OG1 no hydrogen 2.789 N/A GLN 316.A NE2 LYS 406.A O no hydrogen 3.350 N/A GLY 317.A N GLN 320.A O no hydrogen 3.154 N/A TRP 321.A N TYR 338.A O no hydrogen 2.898 N/A TRP 321.A NE1 GLN 349.A OE1 no hydrogen 2.782 N/A THR 322.A N GLN 314.A O no hydrogen 3.015 N/A THR 322.A OG1 GLN 314.A OE1 no hydrogen 2.496 N/A TYR 323.A N GLY 336.A O no hydrogen 3.417 N/A GLN 324.A N GLU 312.A O no hydrogen 3.061 N/A GLN 324.A NE2 GLN 314.A OE1 no hydrogen 2.723 N/A ILE 325.A N LYS 334.A O no hydrogen 2.999 N/A TYR 326.A N ILE 310.A O no hydrogen 3.011 N/A TYR 326.A OH GLU 312.A OE2 no hydrogen 2.640 N/A GLN 327.A NE2 ASP 304.A O no hydrogen 2.903 N/A ASN 332.A N PHE 330.A O no hydrogen 2.741 N/A LEU 333.A N ILE 325.A O no hydrogen 2.878 N/A LYS 334.A NZ THR 224.A O no hydrogen 3.165 N/A LYS 334.A NZ TYR 323.A OH no hydrogen 3.070 N/A LYS 334.A NZ THR 335.A O no hydrogen 2.496 N/A THR 335.A OG1 GLN 226.A O no hydrogen 2.886 N/A GLY 336.A N TYR 323.A O no hydrogen 3.104 N/A LYS 337.A NZ GLN 226.A OE1 no hydrogen 3.518 N/A TYR 338.A N TRP 321.A O no hydrogen 2.835 N/A TYR 338.A OH GLU 352.A OE1 no hydrogen 2.439 N/A ARG 340.A N GLY 319.A O no hydrogen 3.325 N/A ASN 345.A ND2 THR 344.A O no hydrogen 3.319 N/A ASN 345.A ND2 TYR 387.A OH no hydrogen 3.082 N/A LYS 348.A N ASN 345.A OD1 no hydrogen 3.097 N/A GLN 349.A N ASN 345.A O no hydrogen 3.107 N/A LEU 350.A N ASP 346.A O no hydrogen 2.903 N/A THR 351.A N VAL 347.A O no hydrogen 2.854 N/A THR 351.A OG1 VAL 347.A O no hydrogen 3.205 N/A THR 351.A OG1 LYS 348.A O no hydrogen 2.878 N/A GLU 352.A N LYS 348.A O no hydrogen 2.987 N/A ALA 353.A N GLN 349.A O no hydrogen 2.878 N/A VAL 354.A N LEU 350.A O no hydrogen 2.968 N/A GLN 355.A N THR 351.A O no hydrogen 3.141 N/A GLN 355.A NE2 THR 351.A O no hydrogen 3.297 N/A LYS 356.A N GLU 352.A O no hydrogen 3.253 N/A LYS 356.A NZ TYR 216.A OH no hydrogen 3.448 N/A ILE 357.A N ALA 353.A O no hydrogen 2.964 N/A THR 358.A N VAL 354.A O no hydrogen 3.016 N/A THR 358.A OG1 VAL 354.A O no hydrogen 2.754 N/A THR 359.A N GLN 355.A O no hydrogen 3.130 N/A THR 359.A OG1 GLN 355.A O no hydrogen 3.063 N/A GLU 360.A N LYS 356.A O no hydrogen 3.186 N/A SER 361.A N ILE 357.A O no hydrogen 2.991 N/A SER 361.A OG ILE 357.A O no hydrogen 2.882 N/A ILE 362.A N THR 358.A O no hydrogen 3.005 N/A VAL 363.A N THR 359.A O no hydrogen 2.932 N/A ILE 364.A N GLU 360.A O no hydrogen 3.061 N/A TRP 365.A N SER 361.A O no hydrogen 2.800 N/A GLY 366.A N SER 361.A O no hydrogen 3.076 N/A GLY 366.A N ILE 362.A O no hydrogen 2.550 N/A LYS 367.A NZ PRO 305.A O no hydrogen 3.316 N/A LYS 367.A NZ LYS 307.A O no hydrogen 2.469 N/A LYS 370.A N LEU 309.A O no hydrogen 2.793 N/A LYS 370.A NZ TRP 396.A O no hydrogen 3.519 N/A PHE 371.A N GLU 395.A O no hydrogen 2.907 N/A LYS 372.A N ALA 311.A O no hydrogen 2.925 N/A LEU 373.A N GLU 397.A O no hydrogen 2.663 N/A GLU 378.A N GLU 378.A OE1 no hydrogen 3.044 N/A THR 379.A N GLN 376.A O no hydrogen 2.987 N/A TRP 380.A N GLN 376.A O no hydrogen 3.248 N/A GLU 381.A N LYS 377.A O no hydrogen 2.586 N/A THR 382.A N GLU 378.A O no hydrogen 3.281 N/A THR 382.A OG1 GLU 378.A O no hydrogen 2.620 N/A TRP 383.A N THR 379.A O no hydrogen 3.057 N/A TRP 383.A N TRP 380.A O no hydrogen 3.049 N/A TRP 384.A N TRP 380.A O no hydrogen 2.956 N/A GLU 386.A N TRP 383.A O no hydrogen 2.764 N/A TYR 387.A N TRP 384.A O no hydrogen 3.055 N/A TRP 388.A N TRP 384.A O no hydrogen 3.101 N/A GLN 389.A N GLN 355.A OE1 no hydrogen 2.836 N/A ALA 390.A N GLN 355.A OE1 no hydrogen 2.961 N/A THR 391.A OG1 ASP 183.A OD1 no hydrogen 3.349 N/A THR 391.A OG1 ASP 183.A OD2 no hydrogen 3.547 N/A GLU 397.A N PHE 371.A O no hydrogen 2.828 N/A VAL 399.A N LEU 373.A O no hydrogen 2.726 N/A LYS 406.A N PRO 402.A O no hydrogen 2.972 N/A TRP 408.A N LEU 404.A O no hydrogen 2.840 N/A TYR 409.A N LYS 406.A O no hydrogen 3.430 N/A GLN 410.A N LEU 407.A O no hydrogen 3.360 N/A