Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xru_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 69.A O no hydrogen 3.200 N/A LEU 3.A N VAL 48.A O no hydrogen 2.878 N/A GLN 4.A N GLU 117.A O no hydrogen 3.190 N/A ILE 5.A N TYR 46.A O no hydrogen 2.560 N/A HIS 6.A N THR 115.A O no hydrogen 2.704 N/A SER 7.A N TYR 44.A O no hydrogen 3.117 N/A SER 7.A OG PRO 113.A O no hydrogen 2.793 N/A ASN 9.A N SER 7.A OG no hydrogen 3.309 N/A ASN 9.A ND2 VAL 109.A O no hydrogen 2.764 N/A HIS 11.A N ASN 9.A OD1 no hydrogen 2.655 N/A LEU 16.A N LEU 12.A O no hydrogen 3.188 N/A ASN 17.A N ASP 14.A O no hydrogen 2.786 N/A LYS 18.A N LEU 13.A O no hydrogen 3.096 N/A LYS 18.A NZ LEU 16.A O no hydrogen 2.722 N/A LYS 18.A NZ PHE 83.A O no hydrogen 3.192 N/A THR 22.A N ASN 19.A O no hydrogen 3.265 N/A GLY 25.A N THR 22.A O no hydrogen 2.917 N/A ILE 26.A N ASP 23.A O no hydrogen 3.212 N/A TYR 27.A N GLY 38.A O no hydrogen 3.141 N/A LYS 29.A NZ GLU 82.A OE1 no hydrogen 2.672 N/A ARG 32.A NH1 SER 56.A O no hydrogen 2.796 N/A ASN 33.A N SER 56.A OG no hydrogen 2.995 N/A LEU 36.A N LYS 29.A O no hydrogen 3.018 N/A ILE 37.A N VAL 49.A O no hydrogen 2.934 N/A GLY 38.A N TYR 27.A O no hydrogen 2.958 N/A ALA 40.A N GLY 25.A O no hydrogen 3.007 N/A VAL 41.A N GLN 45.A O no hydrogen 3.297 N/A SER 42.A OG ALA 43.A O no hydrogen 2.211 N/A GLN 45.A NE2 ASP 47.A OD1 no hydrogen 2.933 N/A GLN 45.A NE2 ASP 47.A OD2 no hydrogen 3.216 N/A TYR 46.A N ILE 5.A O no hydrogen 2.773 N/A ASP 47.A N ASN 39.A O no hydrogen 2.848 N/A VAL 48.A N LEU 3.A O no hydrogen 2.839 N/A VAL 49.A N ILE 37.A O no hydrogen 3.099 N/A PHE 50.A N MET 1.A O no hydrogen 2.800 N/A GLN 51.A N GLN 35.A O no hydrogen 3.077 N/A ASP 52.A N GLN 51.A OE1 no hydrogen 2.903 N/A THR 53.A N ASN 33.A O no hydrogen 3.005 N/A THR 53.A OG1 ASN 33.A O no hydrogen 2.058 N/A THR 53.A OG1 ASP 52.A OD1 no hydrogen 3.539 N/A SER 56.A N ASP 52.A OD2 no hydrogen 3.197 N/A SER 56.A OG ASP 52.A OD1 no hydrogen 2.782 N/A SER 56.A OG ASP 52.A OD2 no hydrogen 2.994 N/A TYR 57.A OH HIS 78.A ND1 no hydrogen 2.774 N/A SER 62.A OG PRO 59.A O no hydrogen 2.793 N/A GLN 68.A N ASP 66.A OD1 no hydrogen 2.947 N/A SER 69.A OG ASP 52.A OD2 no hydrogen 2.459 N/A TYR 70.A N PHE 67.A O no hydrogen 3.241 N/A CYS 71.A N GLN 68.A O no hydrogen 3.127 N/A CYS 71.A SG PHE 67.A O no hydrogen 3.376 N/A CYS 71.A SG ASN 151.A OD1 no hydrogen 3.684 N/A SER 72.A N GLN 68.A O no hydrogen 2.865 N/A SER 72.A OG GLN 68.A OE1 no hydrogen 3.532 N/A VAL 75.A N SER 72.A O no hydrogen 2.937 N/A LEU 77.A N PRO 73.A O no hydrogen 3.038 N/A HIS 78.A N LEU 74.A O no hydrogen 2.859 N/A HIS 78.A ND1 TYR 57.A OH no hydrogen 2.774 N/A ILE 79.A N VAL 75.A O no hydrogen 2.883 N/A CYS 80.A N ILE 76.A O no hydrogen 2.919 N/A CYS 80.A SG ILE 76.A O no hydrogen 3.858 N/A ASN 81.A N LEU 77.A O no hydrogen 3.418 N/A ASN 81.A ND2 LYS 194.A O no hydrogen 3.365 N/A PHE 83.A N ILE 79.A O no hydrogen 3.100 N/A PHE 84.A N CYS 80.A O no hydrogen 2.992 N/A GLU 86.A N GLU 86.A OE2 no hydrogen 2.240 N/A LEU 87.A N PHE 84.A O no hydrogen 3.231 N/A LEU 88.A N LYS 85.A O no hydrogen 2.833 N/A GLN 89.A N GLU 86.A O no hydrogen 3.233 N/A LYS 91.A NZ GLU 237.A OE1 no hydrogen 3.151 N/A GLN 92.A N GLN 92.A OE1 no hydrogen 2.595 N/A TYR 94.A N GLU 90.A O no hydrogen 2.821 N/A TYR 94.A OH ASP 110.A OD2 no hydrogen 2.789 N/A TRP 95.A N LYS 91.A O no hydrogen 3.458 N/A SER 96.A N GLN 92.A O no hydrogen 3.219 N/A SER 96.A OG GLN 92.A O no hydrogen 2.682 N/A SER 96.A OG SER 96.A O no hydrogen 2.651 N/A GLN 97.A N THR 105.A OG1 no hydrogen 2.807 N/A GLN 97.A NE2 GLN 89.A OE1 no hydrogen 2.726 N/A GLN 97.A NE2 THR 93.A O no hydrogen 2.944 N/A GLN 98.A N GLN 98.A OE1 no hydrogen 3.089 N/A LYS 100.A NZ ASN 19.A OD1 no hydrogen 3.218 N/A THR 105.A OG1 TRP 95.A O no hydrogen 2.706 N/A THR 105.A OG1 GLN 97.A O no hydrogen 2.609 N/A ARG 106.A N GLN 97.A O no hydrogen 3.384 N/A ARG 106.A NH1 GLN 97.A OE1 no hydrogen 3.330 N/A ALA 107.A N TRP 95.A O no hydrogen 3.105 N/A GLU 108.A N THR 105.A O no hydrogen 2.844 N/A VAL 109.A N THR 105.A O no hydrogen 3.399 N/A ASP 110.A N ARG 106.A O no hydrogen 3.031 N/A CYS 114.A N GLY 158.A O no hydrogen 2.856 N/A CYS 114.A SG HIS 6.A O no hydrogen 3.382 N/A THR 115.A N HIS 6.A O no hydrogen 3.058 N/A THR 115.A OG1 GLU 157.A OE1 no hydrogen 2.395 N/A ILE 116.A N VAL 156.A O no hydrogen 2.828 N/A GLU 117.A N GLN 4.A O no hydrogen 2.931 N/A VAL 118.A N LEU 154.A O no hydrogen 2.911 N/A LYS 119.A N ILE 2.A O no hydrogen 3.237 N/A LYS 119.A NZ GLN 4.A OE1 no hydrogen 3.200 N/A LEU 121.A N LEU 152.A O no hydrogen 2.739 N/A ALA 123.A N ASN 150.A O no hydrogen 3.031 N/A ASN 124.A N ASN 179.A OD1 no hydrogen 2.830 N/A ASN 124.A ND2 TYR 122.A OH no hydrogen 2.939 N/A SER 125.A OG THR 178.A O no hydrogen 3.232 N/A TRP 127.A N SER 125.A OG no hydrogen 2.962 N/A TYR 128.A N SER 125.A O no hydrogen 2.926 N/A MET 134.A N TRP 127.A O no hydrogen 2.657 N/A GLU 136.A N PHE 133.A O no hydrogen 3.053 N/A ARG 137.A N MET 134.A O no hydrogen 3.024 N/A TYR 138.A N MET 135.A O no hydrogen 2.910 N/A PHE 139.A N MET 135.A O no hydrogen 2.839 N/A HIS 143.A N ARG 155.A O no hydrogen 3.040 N/A THR 145.A N SER 153.A O no hydrogen 3.027 N/A ILE 147.A N ASN 151.A O no hydrogen 3.147 N/A VAL 148.A N ASN 151.A O no hydrogen 3.371 N/A ASN 151.A N VAL 148.A O no hydrogen 2.844 N/A LEU 152.A N LEU 121.A O no hydrogen 3.025 N/A SER 153.A N THR 145.A O no hydrogen 2.791 N/A SER 153.A OG THR 145.A O no hydrogen 3.227 N/A LEU 154.A N VAL 118.A O no hydrogen 3.023 N/A ARG 155.A N HIS 143.A O no hydrogen 3.110 N/A ARG 155.A NH1 GLU 157.A OE2 no hydrogen 2.654 N/A VAL 156.A N ILE 116.A O no hydrogen 2.598 N/A GLU 157.A N ASN 141.A O no hydrogen 3.286 N/A GLY 158.A N CYS 114.A O no hydrogen 2.959 N/A LYS 159.A N GLU 163.A OE1 no hydrogen 2.633 N/A VAL 161.A N ASP 110.A OD1 no hydrogen 2.577 N/A PHE 162.A N ASP 110.A OD2 no hydrogen 2.915 N/A ALA 164.A N SER 160.A O no hydrogen 3.361 N/A MET 165.A N VAL 161.A O no hydrogen 2.904 N/A ASN 166.A N PHE 162.A O no hydrogen 3.203 N/A ASN 166.A ND2 LEU 87.A O no hydrogen 3.173 N/A ASN 166.A ND2 PHE 162.A O no hydrogen 3.210 N/A LEU 167.A N ALA 164.A O no hydrogen 3.023 N/A LEU 168.A N ALA 164.A O no hydrogen 3.125 N/A SER 169.A N MET 165.A O no hydrogen 3.270 N/A SER 169.A OG MET 165.A O no hydrogen 3.462 N/A SER 169.A OG ASN 166.A O no hydrogen 3.239 N/A ILE 171.A N LEU 167.A O no hydrogen 2.637 N/A ALA 172.A N LEU 168.A O no hydrogen 2.857 N/A VAL 173.A N SER 169.A O no hydrogen 3.141 N/A THR 174.A N PHE 170.A O no hydrogen 2.969 N/A THR 174.A OG1 PHE 170.A O no hydrogen 3.048 N/A THR 174.A OG1 ILE 171.A O no hydrogen 3.145 N/A THR 175.A N ILE 171.A O no hydrogen 2.754 N/A THR 175.A OG1 ILE 171.A O no hydrogen 2.758 N/A HIS 176.A N ALA 172.A O no hydrogen 2.949 N/A ILE 177.A N VAL 173.A O no hydrogen 3.326 N/A THR 178.A N THR 174.A O no hydrogen 3.144 N/A THR 178.A N THR 175.A O no hydrogen 3.333 N/A ASN 179.A ND2 TYR 122.A O no hydrogen 3.048 N/A ASN 179.A ND2 TYR 181.A OH no hydrogen 2.846 N/A THR 180.A N ASN 124.A O no hydrogen 3.239 N/A TYR 181.A N THR 185.A OG1 no hydrogen 3.167 N/A TYR 181.A OH HIS 176.A ND1 no hydrogen 2.825 N/A GLY 182.A N THR 185.A OG1 no hydrogen 3.040 N/A LYS 194.A NZ ASP 188.A OD2 no hydrogen 3.530 N/A TYR 195.A N PHE 191.A O no hydrogen 3.293 N/A ARG 197.A NH2 LEU 88.A O no hydrogen 2.459 N/A ARG 197.A NH2 GLN 89.A O no hydrogen 2.751 N/A ILE 198.A N TYR 195.A O no hydrogen 2.623 N/A THR 200.A N ARG 197.A O no hydrogen 2.819 N/A THR 200.A OG1 ARG 197.A O no hydrogen 2.419 N/A ASN 201.A N ILE 198.A O no hydrogen 3.176 N/A ASN 201.A ND2 GLN 89.A O no hydrogen 3.386 N/A ASN 201.A ND2 ASN 166.A OD1 no hydrogen 3.087 N/A TYR 207.A OH ASP 408.A OD2 no hydrogen 2.553 N/A VAL 209.A N PRO 206.A O no hydrogen 3.160 N/A TYR 211.A N TYR 207.A O no hydrogen 3.077 N/A LEU 212.A N PHE 208.A O no hydrogen 2.970 N/A PHE 213.A N VAL 209.A O no hydrogen 2.997 N/A ILE 214.A N PHE 210.A O no hydrogen 2.911 N/A LYS 215.A N TYR 211.A O no hydrogen 2.993 N/A LYS 215.A NZ GLN 245.A O no hydrogen 3.479 N/A LYS 215.A NZ PHE 246.A O no hydrogen 2.787 N/A LYS 215.A NZ THR 247.A O no hydrogen 2.388 N/A ARG 216.A N LEU 212.A O no hydrogen 2.996 N/A ILE 218.A N ILE 214.A O no hydrogen 3.438 N/A LYS 219.A NZ ILE 187.A O no hydrogen 2.648 N/A GLN 223.A N SER 220.A O no hydrogen 2.643 N/A PHE 224.A N SER 220.A O no hydrogen 2.864 N/A ALA 225.A N GLU 221.A O no hydrogen 3.312 N/A GLU 226.A N GLN 223.A O no hydrogen 3.223 N/A ILE 227.A N PHE 224.A O no hydrogen 3.293 N/A LYS 228.A N PHE 224.A O no hydrogen 2.915 N/A LYS 228.A NZ ASP 243.A O no hydrogen 3.304 N/A LYS 228.A NZ ASP 243.A OD1 no hydrogen 3.366 N/A LYS 228.A NZ PHE 244.A O no hydrogen 2.955 N/A MET 230.A N ILE 227.A O no hydrogen 2.688 N/A PHE 231.A N ILE 227.A O no hydrogen 3.193 N/A GLU 232.A N LYS 228.A O no hydrogen 2.997 N/A ALA 233.A N PRO 229.A O no hydrogen 2.915 N/A TYR 234.A N MET 230.A O no hydrogen 3.103 N/A TYR 234.A OH ILE 202.A O no hydrogen 2.813 N/A PHE 235.A N PHE 231.A O no hydrogen 3.050 N/A LYS 236.A N GLU 232.A O no hydrogen 2.914 N/A GLU 237.A N ALA 233.A O no hydrogen 3.092 N/A GLU 238.A N TYR 234.A O no hydrogen 3.040 N/A GLY 239.A N LYS 236.A O no hydrogen 2.760 N/A LEU 240.A N PHE 235.A O no hydrogen 2.664 N/A ASP 241.A N ASN 411.A OD1 no hydrogen 3.111 N/A ASP 243.A N ARG 409.A O no hydrogen 2.605 N/A SER 252.A OG GLN 245.A OE1 no hydrogen 3.124 N/A ARG 253.A N THR 249.A O no hydrogen 2.427 N/A ASP 255.A N GLY 251.A O no hydrogen 2.554 N/A PHE 256.A N SER 252.A O no hydrogen 3.285 N/A ILE 257.A N ARG 253.A O no hydrogen 2.948 N/A VAL 258.A N MET 254.A O no hydrogen 3.108 N/A LYS 259.A N ASP 255.A O no hydrogen 3.000 N/A GLU 260.A N PHE 256.A O no hydrogen 3.095 N/A LEU 261.A N ILE 257.A O no hydrogen 3.120 N/A GLY 262.A N VAL 258.A O no hydrogen 2.985 N/A ILE 267.A N TYR 288.A OH no hydrogen 3.071 N/A LEU 268.A N ASN 333.A O no hydrogen 2.722 N/A ASP 269.A N PHE 293.A O no hydrogen 2.746 N/A ILE 270.A N ILE 335.A O no hydrogen 2.903 N/A CYS 272.A N ASP 296.A OD2 no hydrogen 3.326 N/A CYS 272.A SG CYS 272.A O no hydrogen 2.924 N/A CYS 272.A SG GLU 274.A OE2 no hydrogen 3.508 N/A CYS 272.A SG THR 295.A O no hydrogen 3.461 N/A TYR 277.A N GLU 274.A O no hydrogen 2.940 N/A TYR 277.A OH ASN 316.A OD1 no hydrogen 2.669 N/A TYR 278.A N GLU 274.A O no hydrogen 3.375 N/A TYR 278.A OH TYR 304.A OH no hydrogen 2.364 N/A ARG 279.A N LEU 275.A O no hydrogen 3.304 N/A ARG 279.A NH1 TYR 286.A OH no hydrogen 2.637 N/A ARG 279.A NH2 ASP 255.A OD2 no hydrogen 3.084 N/A ARG 280.A N TYR 277.A O no hydrogen 2.863 N/A PHE 281.A N TYR 278.A O no hydrogen 2.740 N/A TYR 288.A OH PRO 291.A O no hydrogen 2.388 N/A HIS 290.A NE2 MET 263.A O no hydrogen 2.757 N/A TYR 292.A N ASN 316.A O no hydrogen 2.822 N/A TYR 292.A OH ASP 269.A OD1 no hydrogen 2.724 N/A PHE 293.A N ILE 267.A O no hydrogen 2.948 N/A ALA 294.A N TYR 318.A O no hydrogen 2.887 N/A THR 295.A N ASP 269.A O no hydrogen 3.082 N/A THR 295.A OG1 PHE 320.A O no hydrogen 3.001 N/A ASP 298.A N ASP 296.A OD1 no hydrogen 2.805 N/A SER 300.A N ASP 298.A OD1 no hydrogen 2.698 N/A GLY 302.A N ASP 298.A O no hydrogen 2.992 N/A ASP 303.A N LYS 299.A O no hydrogen 3.045 N/A TYR 304.A N SER 300.A O no hydrogen 3.204 N/A ALA 305.A N VAL 301.A O no hydrogen 3.070 N/A LEU 307.A N ASP 303.A O no hydrogen 3.008 N/A LEU 308.A N TYR 304.A O no hydrogen 3.241 N/A LEU 308.A N ALA 305.A O no hydrogen 2.990 N/A LYS 309.A N ALA 306.A O no hydrogen 2.857 N/A LYS 309.A NZ LEU 317.A O no hydrogen 3.101 N/A MET 312.A N LEU 308.A O no hydrogen 3.026 N/A ALA 314.A N MET 312.A O no hydrogen 3.062 N/A ASN 316.A ND2 HIS 290.A O no hydrogen 2.789 N/A TYR 318.A N TYR 292.A O no hydrogen 2.742 N/A TYR 318.A OH ASP 325.A O no hydrogen 3.068 N/A PHE 320.A N ALA 294.A O no hydrogen 2.856 N/A SER 321.A OG ASP 296.A O no hydrogen 3.172 N/A THR 324.A N ASP 322.A OD1 no hydrogen 2.846 N/A THR 324.A OG1 ASP 322.A OD1 no hydrogen 2.372 N/A ASP 325.A N ASP 322.A O no hydrogen 3.205 N/A LYS 329.A NZ GLU 327.A O no hydrogen 3.001 N/A ASN 333.A N PRO 266.A O no hydrogen 2.918 N/A ILE 334.A N LYS 362.A O no hydrogen 3.158 N/A ILE 335.A N LEU 268.A O no hydrogen 3.109 N/A LEU 336.A N ILE 364.A O no hydrogen 3.117 N/A ILE 340.A N GLU 338.A O no hydrogen 2.555 N/A THR 344.A OG1 ASN 343.A O no hydrogen 2.469 N/A GLU 349.A N GLU 346.A O no hydrogen 3.224 N/A LEU 351.A N ALA 347.A O no hydrogen 2.728 N/A VAL 352.A N ALA 348.A O no hydrogen 3.228 N/A LYS 353.A N GLU 349.A O no hydrogen 3.068 N/A LYS 353.A NZ GLU 349.A OE2 no hydrogen 2.609 N/A HIS 354.A N ALA 350.A O no hydrogen 2.963 N/A CYS 355.A N LEU 351.A O no hydrogen 3.116 N/A CYS 355.A SG LEU 351.A O no hydrogen 3.252 N/A LEU 356.A N VAL 352.A O no hydrogen 3.124 N/A LEU 356.A N LYS 353.A O no hydrogen 3.169 N/A SER 357.A N HIS 354.A O no hydrogen 3.180 N/A SER 357.A OG HIS 354.A O no hydrogen 2.174 N/A HIS 361.A N VAL 332.A O no hydrogen 3.048 N/A LYS 362.A NZ GLU 260.A O no hydrogen 3.364 N/A LYS 362.A NZ GLU 260.A OE2 no hydrogen 3.455 N/A MET 363.A N ILE 421.A O no hydrogen 2.825 N/A ILE 364.A N ILE 334.A O no hydrogen 3.033 N/A ILE 365.A N VAL 419.A O no hydrogen 3.334 N/A THR 366.A N LEU 336.A O no hydrogen 3.351 N/A THR 367.A N GLN 417.A O no hydrogen 3.324 N/A ASN 369.A N PRO 415.A O no hydrogen 3.177 N/A ASN 369.A ND2 ASN 369.A O no hydrogen 2.348 N/A ASN 369.A ND2 GLU 413.A OE2 no hydrogen 3.565 N/A LEU 371.A N ASN 369.A O no hydrogen 2.448 N/A ASN 373.A N SER 370.A O no hydrogen 3.135 N/A ASN 373.A ND2 GLU 380.A OE2 no hydrogen 3.330 N/A TYR 375.A N PHE 372.A O no hydrogen 2.661 N/A TYR 376.A N ASN 373.A O no hydrogen 3.455 N/A THR 382.A N GLU 385.A OE1 no hydrogen 3.081 N/A GLU 385.A N THR 382.A OG1 no hydrogen 3.032 N/A PHE 386.A N THR 382.A O no hydrogen 2.836 N/A GLN 387.A N PRO 383.A O no hydrogen 2.651 N/A ASP 388.A N GLN 384.A O no hydrogen 3.054 N/A PHE 389.A N GLU 385.A O no hydrogen 3.036 N/A ILE 390.A N PHE 386.A O no hydrogen 3.091 N/A ARG 391.A N GLN 387.A O no hydrogen 3.137 N/A HIS 392.A N ASP 388.A O no hydrogen 3.001 N/A HIS 392.A ND1 HIS 392.A O no hydrogen 2.658 N/A CYS 393.A N ILE 390.A O no hydrogen 3.219 N/A CYS 393.A SG PHE 389.A O no hydrogen 3.183 N/A CYS 393.A SG ILE 390.A O no hydrogen 3.770 N/A VAL 394.A N ILE 390.A O no hydrogen 2.905 N/A THR 397.A OG1 VAL 394.A O no hydrogen 2.435 N/A THR 397.A OG1 GLY 395.A O no hydrogen 3.290 N/A SER 398.A OG SER 398.A O no hydrogen 2.166 N/A GLU 400.A N THR 422.A O no hydrogen 3.204 N/A CYS 404.A N ALA 418.A O no hydrogen 3.241 N/A ILE 406.A N THR 416.A O no hydrogen 2.958 N/A ARG 409.A NH2 GLY 405.A O no hydrogen 3.241 N/A ILE 410.A N GLU 413.A O no hydrogen 2.906 N/A ASN 411.A N ASP 241.A O no hydrogen 2.888 N/A GLU 413.A N ILE 410.A O no hydrogen 3.223 N/A THR 414.A OG1 THR 416.A O no hydrogen 2.597 N/A THR 416.A N THR 414.A OG1 no hydrogen 3.282 N/A THR 416.A OG1 PRO 415.A O no hydrogen 3.253 N/A GLN 417.A N THR 367.A O no hydrogen 2.768 N/A GLN 417.A NE2 PRO 368.A O no hydrogen 3.300 N/A VAL 419.A N ILE 365.A O no hydrogen 3.310 N/A VAL 420.A N THR 402.A O no hydrogen 2.800 N/A THR 422.A N GLU 400.A O no hydrogen 2.902 N/A ARG 423.A NE PHE 360.A O no hydrogen 3.245 N/A ARG 423.A NH2 PHE 360.A O no hydrogen 3.216 N/A