Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9rub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N GLN 2.A OE1 no hydrogen 3.482 N/A GLN 2.A NE2 SER 4.A O no hydrogen 3.148 N/A ARG 5.A NH1 ASP 67.A OD1 no hydrogen 2.679 N/A ARG 5.A NH1 ASP 67.A OD2 no hydrogen 2.812 N/A TYR 6.A N SER 3.A O no hydrogen 3.303 N/A TYR 6.A OH ASP 67.A OD1 no hydrogen 2.805 N/A ASN 8.A N VAL 70.A O no hydrogen 3.191 N/A LEU 11.A N ASN 8.A O no hydrogen 2.811 N/A LYS 12.A NZ ASP 15.A OD2 no hydrogen 3.296 N/A ASP 15.A N LYS 12.A O no hydrogen 3.333 N/A LEU 16.A N LYS 12.A O no hydrogen 3.252 N/A ILE 17.A N GLU 13.A O no hydrogen 2.774 N/A ALA 18.A N GLU 14.A O no hydrogen 2.674 N/A VAL 23.A N TYR 84.A O no hydrogen 3.104 N/A LEU 24.A N TYR 126.A O no hydrogen 3.190 N/A CYS 25.A N ILE 82.A O no hydrogen 3.031 N/A ALA 26.A N ASP 124.A O no hydrogen 3.065 N/A TYR 27.A N THR 80.A O no hydrogen 3.021 N/A TYR 27.A OH TYR 84.A OH no hydrogen 2.793 N/A ILE 28.A N LYS 121.A O no hydrogen 2.729 N/A MET 29.A N GLU 78.A O no hydrogen 3.421 N/A LYS 30.A N TYR 119.A O no hydrogen 3.143 N/A LYS 30.A NZ TYR 119.A OH no hydrogen 3.474 N/A LYS 32.A NZ GLY 115.A O no hydrogen 2.583 N/A TYR 37.A OH MET 29.A O no hydrogen 2.785 N/A TYR 37.A OH THR 80.A OG1 no hydrogen 2.959 N/A ALA 39.A N GLY 36.A O no hydrogen 3.265 N/A ALA 41.A N TYR 37.A O no hydrogen 3.061 N/A ALA 41.A N VAL 38.A O no hydrogen 3.064 N/A ALA 42.A N VAL 38.A O no hydrogen 2.997 N/A HIS 43.A N ALA 39.A O no hydrogen 2.706 N/A PHE 44.A N ALA 41.A O no hydrogen 3.136 N/A ALA 45.A N ALA 41.A O no hydrogen 2.779 N/A ALA 46.A N ALA 42.A O no hydrogen 2.753 N/A SER 48.A OG PHE 44.A O no hydrogen 3.150 N/A SER 49.A N ALA 46.A O no hydrogen 3.396 N/A SER 49.A OG ALA 45.A O no hydrogen 2.713 N/A THR 50.A OG1 VAL 66.A O no hydrogen 3.318 N/A GLY 51.A N ALA 46.A O no hydrogen 3.183 N/A THR 52.A N THR 50.A O no hydrogen 3.118 N/A VAL 54.A N THR 52.A O no hydrogen 2.968 N/A VAL 56.A N VAL 54.A O no hydrogen 3.195 N/A CYS 57.A SG GLU 55.A OE2 no hydrogen 3.811 N/A CYS 57.A SG VAL 56.A O no hydrogen 3.091 N/A CYS 57.A SG ASP 61.A OD1 no hydrogen 3.691 N/A ASP 61.A N THR 58.A O no hydrogen 3.050 N/A THR 63.A OG1 PHE 62.A O no hydrogen 2.498 N/A ALA 68.A N SER 49.A OG no hydrogen 3.260 N/A LEU 69.A N ALA 83.A O no hydrogen 2.875 N/A TYR 71.A N LYS 81.A O no hydrogen 3.401 N/A TYR 71.A OH GLU 13.A OE1 no hydrogen 3.401 N/A TYR 71.A OH TYR 352.A OH no hydrogen 2.955 N/A GLU 78.A N GLU 75.A O no hydrogen 3.275 N/A LEU 79.A N ASP 74.A O no hydrogen 3.017 N/A THR 80.A N TYR 27.A O no hydrogen 3.278 N/A THR 80.A OG1 TYR 37.A OH no hydrogen 2.959 N/A LYS 81.A N GLU 72.A O no hydrogen 2.912 N/A ILE 82.A N CYS 25.A O no hydrogen 2.995 N/A ALA 83.A N LEU 69.A O no hydrogen 2.833 N/A TYR 84.A N VAL 23.A O no hydrogen 3.079 N/A TYR 84.A OH TYR 27.A OH no hydrogen 2.793 N/A TYR 84.A OH LEU 106.A O no hydrogen 3.382 N/A PHE 89.A N VAL 86.A O no hydrogen 3.055 N/A ASP 90.A N SER 102.A OG no hydrogen 2.851 N/A PHE 103.A N MET 99.A O no hydrogen 3.356 N/A LEU 104.A N ILE 100.A O no hydrogen 2.661 N/A THR 105.A N ALA 101.A O no hydrogen 2.650 N/A THR 105.A OG1 ALA 101.A O no hydrogen 3.474 N/A LEU 106.A N SER 102.A O no hydrogen 2.840 N/A THR 107.A N PHE 103.A O no hydrogen 3.297 N/A THR 107.A OG1 PHE 103.A O no hydrogen 2.525 N/A MET 108.A N LEU 104.A O no hydrogen 3.041 N/A ASN 111.A ND2 SER 48.A OG no hydrogen 2.495 N/A ASN 111.A ND2 THR 107.A O no hydrogen 2.739 N/A GLN 112.A N GLY 109.A O no hydrogen 3.162 N/A GLN 112.A NE2 ALA 120.A O no hydrogen 3.044 N/A GLU 118.A N LYS 30.A O no hydrogen 2.860 N/A LYS 121.A N ILE 28.A O no hydrogen 3.034 N/A LYS 121.A NZ VAL 293.A O no hydrogen 2.595 N/A LYS 121.A NZ THR 294.A O no hydrogen 3.410 N/A LYS 121.A NZ SER 298.A O no hydrogen 2.671 N/A MET 122.A N GLY 301.A O no hydrogen 2.825 N/A HIS 123.A N ALA 26.A O no hydrogen 2.766 N/A TYR 126.A N LEU 24.A O no hydrogen 2.576 N/A ARG 132.A N PRO 128.A O no hydrogen 2.585 N/A ARG 132.A NH1 GLU 129.A OE1 no hydrogen 2.555 N/A ARG 132.A NH2 GLU 129.A OE2 no hydrogen 2.887 N/A LEU 134.A N TYR 131.A O no hydrogen 2.846 N/A GLY 137.A N LEU 313.A O no hydrogen 2.870 N/A SER 139.A OG PRO 279.A O no hydrogen 2.621 N/A ASN 141.A ND2 ALA 361.A O no hydrogen 2.734 N/A ILE 142.A N THR 363.A OG1 no hydrogen 3.062 N/A SER 143.A OG ASN 141.A OD1 no hydrogen 2.680 N/A ALA 144.A N ASN 141.A O no hydrogen 2.802 N/A ALA 144.A N ILE 142.A O no hydrogen 2.742 N/A LEU 145.A N ILE 142.A O no hydrogen 3.203 N/A TRP 146.A N ILE 142.A O no hydrogen 3.302 N/A TRP 146.A NE1 GLY 157.A O no hydrogen 2.567 N/A VAL 148.A N LEU 145.A O no hydrogen 2.911 N/A LEU 149.A N LEU 145.A O no hydrogen 2.945 N/A LEU 149.A N TRP 146.A O no hydrogen 2.967 N/A GLY 150.A N TRP 146.A O no hydrogen 3.037 N/A ARG 151.A NH1 GLY 156.A O no hydrogen 3.129 N/A ARG 151.A NH1 LEU 158.A O no hydrogen 3.279 N/A ARG 151.A NH2 LEU 158.A O no hydrogen 2.822 N/A VAL 159.A N VAL 387.A O no hydrogen 3.488 N/A VAL 160.A N ASP 187.A OD2 no hydrogen 2.896 N/A GLY 161.A N LEU 389.A O no hydrogen 2.321 N/A THR 162.A N PHE 188.A O no hydrogen 3.108 N/A THR 162.A OG1 ILE 163.A O no hydrogen 3.509 N/A THR 162.A OG1 ALA 391.A O no hydrogen 3.206 N/A LYS 167.A NZ GLU 193.A OE1 no hydrogen 3.177 N/A ALA 176.A N PRO 172.A O no hydrogen 3.208 N/A GLU 177.A N LYS 173.A O no hydrogen 2.605 N/A ALA 178.A N PRO 174.A O no hydrogen 2.748 N/A CYS 179.A N ALA 176.A O no hydrogen 2.821 N/A CYS 179.A SG PHE 175.A O no hydrogen 3.565 N/A HIS 180.A N ALA 176.A O no hydrogen 3.138 N/A HIS 180.A NE2 GLU 220.A OE1 no hydrogen 3.007 N/A PHE 182.A N CYS 179.A O no hydrogen 2.954 N/A TRP 183.A N CYS 179.A O no hydrogen 2.617 N/A TRP 183.A NE1 ASP 187.A O no hydrogen 2.855 N/A ASP 187.A N VAL 160.A O no hydrogen 3.051 N/A PHE 188.A N VAL 160.A O no hydrogen 3.054 N/A ILE 189.A N LEU 226.A O no hydrogen 2.814 N/A LYS 190.A N THR 162.A O no hydrogen 3.339 N/A LYS 190.A NZ ASN 191.A O no hydrogen 2.832 N/A ASN 191.A N SER 228.A O no hydrogen 3.306 N/A GLU 193.A N ASP 192.A OD1 no hydrogen 2.834 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.926 N/A GLY 196.A N GLN 198.A OE1 no hydrogen 3.298 N/A ALA 201.A N GLN 198.A O no hydrogen 3.242 N/A ASP 205.A N PRO 202.A O no hydrogen 2.664 N/A THR 206.A N PRO 202.A O no hydrogen 3.316 N/A THR 206.A OG1 ASP 205.A OD1 no hydrogen 3.384 N/A ILE 207.A N LEU 203.A O no hydrogen 3.003 N/A ALA 208.A N ASP 205.A O no hydrogen 2.787 N/A LEU 209.A N ASP 205.A O no hydrogen 3.045 N/A VAL 210.A N THR 206.A O no hydrogen 3.416 N/A ALA 211.A N ILE 207.A O no hydrogen 3.015 N/A ASP 212.A N LEU 209.A O no hydrogen 2.642 N/A ALA 213.A N LEU 209.A O no hydrogen 2.866 N/A MET 214.A N VAL 210.A O no hydrogen 2.885 N/A ARG 216.A N ALA 213.A O no hydrogen 3.276 N/A ARG 216.A NH2 GLU 177.A OE1 no hydrogen 3.563 N/A ALA 217.A N ALA 213.A O no hydrogen 3.365 N/A GLN 218.A N MET 214.A O no hydrogen 3.142 N/A ASP 219.A N ARG 216.A O no hydrogen 3.126 N/A GLU 220.A N ARG 216.A O no hydrogen 3.358 N/A THR 221.A OG1 ALA 217.A O no hydrogen 2.829 N/A THR 221.A OG1 GLU 223.A OE2 no hydrogen 3.500 N/A GLY 222.A N ASP 219.A O no hydrogen 2.879 N/A LYS 225.A NZ TRP 183.A O no hydrogen 2.415 N/A LYS 225.A NZ GLY 186.A O no hydrogen 2.571 N/A LEU 226.A N ASP 187.A O no hydrogen 2.866 N/A PHE 227.A N HIS 256.A O no hydrogen 2.831 N/A SER 228.A N ILE 189.A O no hydrogen 2.665 N/A SER 228.A OG HIS 284.A ND1 no hydrogen 2.608 N/A ALA 229.A N ALA 258.A O no hydrogen 3.255 N/A ASN 230.A N ASN 191.A OD1 no hydrogen 3.250 N/A ILE 231.A N LEU 260.A O no hydrogen 2.756 N/A THR 232.A N ASN 230.A OD1 no hydrogen 3.178 N/A THR 232.A OG1 LEU 260.A O no hydrogen 3.358 N/A GLU 238.A N ASP 235.A O no hydrogen 2.498 N/A ILE 239.A N ASP 235.A O no hydrogen 2.726 N/A ILE 240.A N PRO 236.A O no hydrogen 2.778 N/A ALA 241.A N PHE 237.A O no hydrogen 3.128 N/A ARG 242.A N GLU 238.A O no hydrogen 3.056 N/A ARG 242.A NH2 THR 232.A O no hydrogen 2.779 N/A GLY 243.A N ILE 239.A O no hydrogen 3.272 N/A TYR 245.A N ARG 242.A O no hydrogen 2.771 N/A TYR 245.A OH ARG 204.A O no hydrogen 2.759 N/A VAL 246.A N ARG 242.A O no hydrogen 3.108 N/A GLU 248.A N TYR 245.A O no hydrogen 3.237 N/A THR 249.A N TYR 245.A O no hydrogen 2.866 N/A THR 249.A OG1 TYR 245.A O no hydrogen 2.928 N/A PHE 250.A N VAL 246.A O no hydrogen 2.994 N/A ASN 253.A N PHE 250.A O no hydrogen 2.953 N/A HIS 256.A ND1 LYS 225.A O no hydrogen 2.602 N/A VAL 257.A N ALA 254.A O no hydrogen 3.483 N/A ALA 258.A N PHE 227.A O no hydrogen 2.502 N/A LEU 259.A N PHE 282.A O no hydrogen 2.714 N/A LEU 260.A N ALA 229.A O no hydrogen 3.077 N/A VAL 261.A N HIS 284.A O no hydrogen 3.478 N/A ASP 262.A N THR 232.A OG1 no hydrogen 2.987 N/A TYR 264.A N ASP 262.A O no hydrogen 2.627 N/A ALA 266.A N TYR 264.A O no hydrogen 2.506 N/A GLY 267.A N TYR 264.A O no hydrogen 3.230 N/A ALA 270.A N GLY 267.A O no hydrogen 2.972 N/A ILE 271.A N GLY 267.A O no hydrogen 3.463 N/A THR 272.A N ALA 268.A O no hydrogen 2.710 N/A THR 272.A OG1 ALA 268.A O no hydrogen 2.581 N/A THR 273.A N ALA 269.A O no hydrogen 2.998 N/A THR 273.A OG1 ALA 269.A O no hydrogen 2.467 N/A ARG 275.A N ILE 271.A O no hydrogen 3.083 N/A ARG 275.A NE GLY 137.A O no hydrogen 2.909 N/A ARG 275.A NH1 ARG 275.A O no hydrogen 2.588 N/A ARG 275.A NH2 GLY 137.A O no hydrogen 2.995 N/A ARG 276.A N THR 272.A O no hydrogen 3.231 N/A ARG 276.A NH2 ASP 95.A OD2 no hydrogen 3.074 N/A ARG 277.A N THR 273.A O no hydrogen 2.806 N/A PHE 278.A N ALA 274.A O no hydrogen 2.580 N/A ASN 281.A ND2 ALA 254.A O no hydrogen 3.523 N/A ASN 281.A ND2 VAL 257.A O no hydrogen 2.896 N/A HIS 284.A N LEU 259.A O no hydrogen 2.586 N/A HIS 284.A NE2 HIS 320.A NE2 no hydrogen 2.341 N/A TYR 285.A N GLY 318.A O no hydrogen 2.768 N/A ALA 288.A N HIS 286.A O no hydrogen 2.975 N/A HIS 290.A ND1 ARG 287.A O no hydrogen 2.830 N/A ALA 292.A N GLY 289.A O no hydrogen 3.073 N/A VAL 293.A N HIS 290.A O no hydrogen 2.986 N/A THR 294.A N HIS 290.A O no hydrogen 3.117 N/A THR 294.A OG1 HIS 290.A O no hydrogen 3.108 N/A SER 298.A N SER 295.A O no hydrogen 3.049 N/A SER 298.A OG ALA 292.A O no hydrogen 2.949 N/A LYS 299.A NZ TYR 119.A OH no hydrogen 3.210 N/A ARG 300.A NE GLU 118.A O no hydrogen 3.266 N/A ARG 300.A NH2 GLU 118.A O no hydrogen 3.069 N/A GLY 301.A N ALA 120.A O no hydrogen 3.467 N/A THR 303.A OG1 MET 122.A O no hydrogen 3.458 N/A HIS 307.A N THR 303.A O no hydrogen 3.156 N/A CYS 308.A N ALA 304.A O no hydrogen 3.234 N/A CYS 308.A SG ALA 304.A O no hydrogen 3.559 N/A LYS 309.A N PHE 305.A O no hydrogen 2.935 N/A LYS 309.A NZ PHE 125.A O no hydrogen 3.147 N/A MET 310.A N VAL 306.A O no hydrogen 3.158 N/A ARG 312.A N LYS 309.A O no hydrogen 2.908 N/A ARG 312.A NE MET 341.A O no hydrogen 3.236 N/A ARG 312.A NH1 LYS 360.A O no hydrogen 2.546 N/A ARG 312.A NH2 LYS 360.A O no hydrogen 2.773 N/A LEU 313.A N LYS 309.A O no hydrogen 3.411 N/A GLN 314.A N MET 310.A O no hydrogen 3.158 N/A GLY 315.A N ALA 311.A O no hydrogen 3.306 N/A ALA 316.A N ALA 311.A O no hydrogen 2.968 N/A SER 317.A N LEU 283.A O no hydrogen 2.804 N/A SER 317.A OG VAL 140.A O no hydrogen 3.090 N/A GLY 318.A N LEU 283.A O no hydrogen 3.352 N/A ILE 319.A N THR 363.A O no hydrogen 3.033 N/A HIS 320.A NE2 HIS 284.A NE2 no hydrogen 2.341 N/A THR 321.A OG1 ILE 319.A O no hydrogen 3.408 N/A THR 323.A N ASP 335.A OD2 no hydrogen 2.680 N/A ALA 337.A N SER 334.A OG no hydrogen 2.799 N/A ALA 339.A N ASP 335.A O no hydrogen 3.298 N/A TYR 340.A N ARG 336.A O no hydrogen 3.015 N/A MET 341.A N ALA 337.A O no hydrogen 2.978 N/A LEU 342.A N ILE 338.A O no hydrogen 2.696 N/A THR 343.A OG1 ALA 339.A O no hydrogen 2.499 N/A GLN 344.A N TYR 340.A O no hydrogen 3.428 N/A GLY 349.A N TYR 352.A O no hydrogen 2.757 N/A TYR 352.A N ASP 124.A OD2 no hydrogen 2.987 N/A TYR 352.A OH TYR 71.A OH no hydrogen 2.955 N/A GLN 354.A N ALA 347.A O no hydrogen 3.346 N/A GLN 354.A NE2 PHE 125.A O no hydrogen 3.595 N/A SER 355.A OG GLU 346.A OE1 no hydrogen 3.192 N/A SER 355.A OG GLU 346.A OE2 no hydrogen 3.226 N/A GLY 357.A N SER 355.A O no hydrogen 2.116 N/A MET 359.A N TRP 356.A O no hydrogen 3.092 N/A CYS 362.A N LEU 342.A O no hydrogen 3.111 N/A THR 363.A N SER 317.A O no hydrogen 3.013 N/A ILE 365.A N ILE 319.A O no hydrogen 2.758 N/A ILE 366.A N ILE 388.A O no hydrogen 3.162 N/A SER 367.A N GLY 322.A O no hydrogen 3.342 N/A GLY 368.A N THR 390.A O no hydrogen 3.487 N/A ARG 374.A N ASN 371.A O no hydrogen 3.086 N/A ARG 374.A NE ASP 442.A OD1 no hydrogen 2.922 N/A ARG 374.A NH2 ASP 442.A OD1 no hydrogen 2.796 N/A MET 375.A N ASN 371.A O no hydrogen 3.359 N/A GLY 377.A N ARG 374.A O no hydrogen 3.003 N/A PHE 378.A N MET 375.A O no hydrogen 2.625 N/A PHE 379.A N MET 375.A O no hydrogen 3.000 N/A ASN 381.A N PHE 378.A O no hydrogen 3.003 N/A LEU 382.A N PHE 378.A O no hydrogen 3.175 N/A GLY 383.A N PHE 379.A O no hydrogen 3.163 N/A LEU 389.A N VAL 159.A O no hydrogen 2.807 N/A ALA 391.A N GLY 161.A O no hydrogen 2.804 N/A GLY 394.A N GLY 392.A O no hydrogen 2.481 N/A ALA 395.A N GLY 392.A O no hydrogen 3.142 N/A HIS 398.A NE2 GLU 431.A O no hydrogen 2.809 N/A GLY 401.A N HIS 398.A O no hydrogen 2.516 N/A VAL 403.A N GLY 401.A O no hydrogen 2.537 N/A ALA 404.A N GLY 401.A O no hydrogen 2.832 N/A SER 408.A N ALA 404.A O no hydrogen 2.638 N/A SER 408.A OG GLY 405.A O no hydrogen 3.411 N/A LEU 409.A N GLY 405.A O no hydrogen 2.771 N/A ARG 410.A N ALA 406.A O no hydrogen 3.286 N/A ARG 410.A NH2 GLU 223.A OE1 no hydrogen 2.388 N/A GLN 411.A N ARG 407.A O no hydrogen 2.715 N/A ALA 412.A N SER 408.A O no hydrogen 2.827 N/A GLN 414.A N ARG 410.A O no hydrogen 2.942 N/A ALA 415.A N GLN 411.A O no hydrogen 3.077 N/A ARG 417.A N TRP 413.A O no hydrogen 3.178 N/A ARG 417.A NH2 GLN 414.A OE1 no hydrogen 3.485 N/A ASP 418.A N GLN 414.A O no hydrogen 3.257 N/A GLY 419.A N ALA 415.A O no hydrogen 2.840 N/A ASP 424.A N PRO 421.A O no hydrogen 3.209 N/A TYR 425.A N VAL 422.A O no hydrogen 3.124 N/A ALA 426.A N VAL 422.A O no hydrogen 3.217 N/A HIS 429.A N TYR 425.A O no hydrogen 2.489 N/A ALA 433.A N HIS 429.A O no hydrogen 3.251 N/A ARG 434.A N LYS 430.A O no hydrogen 2.501 N/A PHE 436.A N LEU 432.A O no hydrogen 3.077 N/A PHE 436.A N ALA 433.A O no hydrogen 3.026 N/A GLU 437.A N ALA 433.A O no hydrogen 3.332 N/A SER 438.A N ARG 434.A O no hydrogen 2.975 N/A SER 438.A OG ARG 434.A O no hydrogen 3.464 N/A SER 438.A OG ALA 435.A O no hydrogen 2.810 N/A PHE 439.A N PHE 436.A O no hydrogen 2.802 N/A ASP 442.A N PHE 439.A O no hydrogen 3.244 N/A ALA 443.A N PHE 439.A O no hydrogen 2.663 N/A ILE 446.A N ASP 442.A O no hydrogen 2.621 N/A ARG 451.A NH2 ASP 444.A OD2 no hydrogen 2.424 N/A LEU 454.A N TRP 450.A O no hydrogen 2.519 N/A THR 459.A N ASP 458.A OD1 no hydrogen 2.862 N/A