Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8su9_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 10.A N ALA 106.A O no hydrogen 2.959 N/A TYR 12.A N ASN 24.A O no hydrogen 3.303 N/A VAL 13.A N SER 104.A O no hydrogen 3.176 N/A VAL 14.A N ARG 22.A O no hydrogen 3.228 N/A GLU 17.A N ARG 20.A O no hydrogen 3.333 N/A ILE 21.A N ALA 77.A O no hydrogen 3.281 N/A ARG 22.A N GLY 15.A O no hydrogen 3.306 N/A ARG 22.A NH1 GLN 74.A OE1 no hydrogen 2.900 N/A ILE 23.A N ILE 75.A O no hydrogen 3.044 N/A ASN 24.A N TYR 12.A O no hydrogen 3.386 N/A ASN 24.A ND2 ARG 73.A O no hydrogen 3.396 N/A HIS 26.A N ILE 10.A O no hydrogen 3.272 N/A GLN 30.A NE2 GLU 27.A O no hydrogen 3.191 N/A ALA 34.A N SER 41.A O no hydrogen 2.829 N/A HIS 36.A N GLY 39.A O no hydrogen 2.809 N/A HIS 36.A NE2 SER 41.A OG no hydrogen 2.931 N/A GLY 39.A N HIS 36.A O no hydrogen 3.424 N/A SER 41.A N ALA 34.A O no hydrogen 2.823 N/A SER 41.A OG HIS 36.A NE2 no hydrogen 2.931 N/A SER 42.A OG ARG 32.A O no hydrogen 3.369 N/A THR 44.A OG1 GLN 45.A OE1 no hydrogen 3.288 N/A GLY 47.A N VAL 63.A O no hydrogen 3.063 N/A ILE 50.A N ALA 61.A O no hydrogen 3.069 N/A GLY 51.A N VAL 107.A O no hydrogen 3.075 N/A PHE 52.A N VAL 59.A O no hydrogen 3.208 N/A ASP 53.A N ASP 53.A OD1 no hydrogen 2.489 N/A ALA 54.A N ILE 57.A O no hydrogen 3.306 N/A ILE 57.A N ALA 54.A O no hydrogen 3.260 N/A LEU 58.A N VAL 83.A O no hydrogen 3.411 N/A VAL 59.A N PHE 52.A O no hydrogen 3.272 N/A VAL 60.A N GLY 81.A O no hydrogen 3.211 N/A ALA 61.A N ILE 50.A O no hydrogen 3.095 N/A ARG 62.A N TYR 78.A O no hydrogen 2.860 N/A VAL 63.A N ASP 48.A O no hydrogen 3.065 N/A THR 64.A N ILE 76.A O no hydrogen 3.008 N/A THR 64.A OG1 ILE 76.A O no hydrogen 2.917 N/A VAL 69.A N LEU 72.A O no hydrogen 3.313 N/A GLN 74.A N ALA 67.A O no hydrogen 3.192 N/A ILE 75.A N ILE 23.A O no hydrogen 3.019 N/A ALA 77.A N ILE 21.A O no hydrogen 3.226 N/A TYR 78.A N ARG 62.A O no hydrogen 3.138 N/A ILE 80.A N VAL 60.A O no hydrogen 2.942 N/A PHE 82.A N ILE 93.A O no hydrogen 3.294 N/A VAL 83.A N LEU 58.A O no hydrogen 2.925 N/A LYS 84.A N VAL 91.A O no hydrogen 2.925 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.368 N/A VAL 91.A N LYS 84.A O no hydrogen 2.862 N/A ILE 93.A N PHE 82.A O no hydrogen 3.082 N/A GLY 103.A N VAL 13.A O no hydrogen 3.398 N/A SER 104.A N ALA 101.A O no hydrogen 3.316 N/A SER 104.A OG ALA 101.A O no hydrogen 3.019 N/A ALA 106.A N GLY 11.A O no hydrogen 3.282 N/A VAL 107.A N GLY 51.A O no hydrogen 2.882 N/A LEU 114.A N THR 110.A O no hydrogen 3.300 N/A TYR 118.A N LEU 114.A O no hydrogen 3.496 N/A SER 119.A OG ASN 115.A O no hydrogen 2.425 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.587 N/A GLU 124.A N ASP 121.A O no hydrogen 3.342 N/A LEU 125.A N LYS 122.A O no hydrogen 3.143 N/A LYS 127.A N GLU 124.A O no hydrogen 3.193 N/A VAL 129.A N ALA 144.A O no hydrogen 3.172 N/A LEU 131.A N ILE 142.A O no hydrogen 3.422 N/A VAL 133.A N SER 551.A O no hydrogen 3.291 N/A ASP 134.A N VAL 140.A O no hydrogen 3.081 N/A SER 135.A N ARG 549.A O no hydrogen 3.210 N/A THR 137.A OG1 ASP 134.A OD2 no hydrogen 3.169 N/A LYS 138.A NZ SER 135.A O no hydrogen 3.377 N/A THR 139.A OG1 THR 137.A O no hydrogen 3.504 N/A ILE 142.A N GLY 132.A O no hydrogen 3.186 N/A ALA 144.A N VAL 129.A O no hydrogen 3.348 N/A VAL 146.A N LYS 127.A O no hydrogen 3.147 N/A LYS 148.A N SER 145.A O no hydrogen 3.334 N/A LEU 149.A N SER 145.A O no hydrogen 3.141 N/A LEU 149.A N VAL 146.A O no hydrogen 3.264 N/A LEU 150.A N VAL 146.A O no hydrogen 3.119 N/A SER 151.A OG ASP 147.A O no hydrogen 3.325 N/A SER 151.A OG LYS 148.A O no hydrogen 3.283 N/A HIS 153.A NE2 ALA 469.A O no hydrogen 3.314 N/A LEU 154.A N LEU 479.A O no hydrogen 3.074 N/A VAL 156.A N VAL 481.A O no hydrogen 2.877 N/A LEU 157.A N PHE 501.A O no hydrogen 3.083 N/A SER 159.A N ARG 504.A O no hydrogen 3.234 N/A SER 159.A OG ARG 504.A O no hydrogen 3.437 N/A LYS 164.A NZ GLY 158.A O no hydrogen 3.501 N/A LYS 164.A NZ SER 159.A O no hydrogen 2.905 N/A ASN 166.A ND2 ASN 553.A O no hydrogen 3.569 N/A ASN 168.A N LYS 164.A O no hydrogen 2.958 N/A ALA 169.A N SER 165.A O no hydrogen 2.905 N/A LEU 170.A N ASN 166.A O no hydrogen 2.959 N/A LEU 171.A N PHE 167.A O no hydrogen 2.934 N/A THR 172.A N ASN 168.A O no hydrogen 2.953 N/A THR 172.A OG1 ASN 168.A O no hydrogen 2.955 N/A THR 172.A OG1 ALA 169.A O no hydrogen 3.047 N/A ARG 173.A N ALA 169.A O no hydrogen 2.930 N/A ARG 173.A NH1 THR 198.A O no hydrogen 3.504 N/A ARG 173.A NH2 THR 198.A O no hydrogen 3.089 N/A LYS 174.A N LEU 170.A O no hydrogen 2.977 N/A SER 176.A OG ARG 173.A O no hydrogen 3.150 N/A LYS 178.A N VAL 175.A O no hydrogen 2.968 N/A TYR 179.A N VAL 175.A O no hydrogen 2.900 N/A SER 182.A OG TYR 179.A O no hydrogen 2.482 N/A VAL 185.A N VAL 454.A O no hydrogen 3.212 N/A ILE 186.A N HIS 415.A O no hydrogen 3.009 N/A PHE 187.A N LEU 456.A O no hydrogen 3.169 N/A ASP 188.A N VAL 417.A O no hydrogen 3.053 N/A ASN 190.A N ASP 188.A OD1 no hydrogen 3.311 N/A GLY 191.A N ASP 188.A OD1 no hydrogen 2.834 N/A GLU 192.A N ASP 188.A OD2 no hydrogen 2.959 N/A TYR 193.A N ASP 188.A OD2 no hydrogen 3.441 N/A TYR 193.A OH GLU 458.A OE2 no hydrogen 2.493 N/A GLN 195.A NE2 GLY 558.A O no hydrogen 3.208 N/A THR 198.A N GLN 195.A O no hydrogen 3.274 N/A THR 198.A OG1 GLN 195.A O no hydrogen 2.849 N/A LYS 204.A N VAL 414.A O no hydrogen 3.201 N/A THR 206.A N ILE 416.A O no hydrogen 3.032 N/A THR 206.A OG1 HIS 415.A NE2 no hydrogen 2.998 N/A ILE 207.A N CYS 233.A O no hydrogen 2.812 N/A GLY 209.A N LYS 235.A O no hydrogen 3.369 N/A LYS 219.A NZ LEU 217.A O no hydrogen 2.655 N/A GLN 221.A NE2 LEU 226.A O no hydrogen 2.811 N/A GLN 222.A N GLU 225.A OE1 no hydrogen 2.988 N/A LYS 223.A NZ GLU 409.A OE2 no hydrogen 2.371 N/A GLU 229.A N SER 228.A OG no hydrogen 2.818 N/A CYS 233.A N HIS 205.A O no hydrogen 3.194 N/A LYS 235.A NZ LYS 236.A O no hydrogen 3.051 N/A LYS 235.A NZ GLU 397.A OE1 no hydrogen 2.629 N/A LYS 235.A NZ GLU 397.A OE2 no hydrogen 2.930 N/A LYS 236.A NZ GLU 210.A OE1 no hydrogen 3.157 N/A LYS 236.A NZ LYS 372.A O no hydrogen 3.347 N/A TYR 239.A OH PRO 322.A O no hydrogen 2.785 N/A GLN 240.A N GLN 240.A OE1 no hydrogen 2.809 N/A ALA 241.A N PRO 238.A O no hydrogen 3.445 N/A LYS 249.A N ALA 245.A O no hydrogen 2.936 N/A LEU 250.A N GLY 246.A O no hydrogen 2.893 N/A LEU 251.A N LEU 247.A O no hydrogen 2.924 N/A ARG 252.A N ILE 248.A O no hydrogen 3.258 N/A THR 257.A OG1 ASN 354.A O no hydrogen 3.411 N/A LEU 259.A N SER 254.A O no hydrogen 2.750 N/A LEU 262.A N GLN 258.A O no hydrogen 2.913 N/A ARG 263.A N LEU 259.A O no hydrogen 2.894 N/A ASN 264.A N PRO 260.A O no hydrogen 2.931 N/A ALA 265.A N ALA 261.A O no hydrogen 2.913 N/A LEU 266.A N LEU 262.A O no hydrogen 3.028 N/A SER 267.A N ARG 263.A O no hydrogen 3.245 N/A SER 267.A OG ARG 263.A O no hydrogen 2.936 N/A ALA 268.A N ALA 265.A O no hydrogen 3.323 N/A THR 272.A OG1 ALA 268.A O no hydrogen 2.919 N/A HIS 273.A N TYR 280.A O no hydrogen 3.297 N/A LYS 275.A N ASN 278.A O no hydrogen 3.252 N/A TYR 280.A N HIS 273.A O no hydrogen 3.376 N/A LEU 281.A N PHE 289.A O no hydrogen 2.948 N/A GLU 287.A N GLU 287.A OE1 no hydrogen 2.544 N/A LEU 291.A N ILE 279.A O no hydrogen 3.072 N/A TYR 292.A N GLU 333.A OE2 no hydrogen 3.055 N/A ASP 293.A N ASP 293.A OD1 no hydrogen 2.455 N/A CYS 295.A SG ARG 347.A O no hydrogen 3.254 N/A ARG 296.A NH2 ASP 294.A OD2 no hydrogen 3.293 N/A GLN 300.A NE2 ASP 297.A OD1 no hydrogen 3.300 N/A LEU 303.A N SER 345.A OG no hydrogen 3.338 N/A GLU 305.A N GLU 305.A OE1 no hydrogen 2.669 N/A TRP 306.A N LEU 303.A O no hydrogen 3.232 N/A LEU 307.A N LEU 303.A O no hydrogen 3.101 N/A ASP 308.A N ALA 304.A O no hydrogen 2.928 N/A LEU 310.A N TRP 306.A O no hydrogen 2.892 N/A ARG 311.A N LEU 307.A O no hydrogen 2.934 N/A ARG 312.A N ASP 308.A O no hydrogen 3.279 N/A ARG 313.A N LEU 310.A O no hydrogen 3.225 N/A LYS 316.A N GLU 282.A O no hydrogen 3.450 N/A THR 318.A N ASN 270.A O no hydrogen 3.347 N/A TRP 321.A N GLY 381.A O no hydrogen 3.099 N/A PHE 324.A N LEU 377.A O no hydrogen 3.436 N/A SER 326.A N PRO 323.A O no hydrogen 3.168 N/A SER 326.A OG PRO 323.A O no hydrogen 3.084 N/A LEU 327.A N PHE 324.A O no hydrogen 3.509 N/A ALA 328.A N LYS 325.A O no hydrogen 3.382 N/A THR 329.A N SER 326.A O no hydrogen 3.309 N/A THR 329.A OG1 SER 326.A O no hydrogen 3.070 N/A VAL 331.A N LEU 327.A O no hydrogen 3.301 N/A ALA 332.A N ALA 328.A O no hydrogen 3.438 N/A GLU 333.A N THR 329.A O no hydrogen 2.928 N/A PHE 334.A N LEU 330.A O no hydrogen 2.894 N/A GLY 335.A N VAL 331.A O no hydrogen 2.933 N/A CYS 336.A N GLU 333.A O no hydrogen 3.361 N/A CYS 336.A SG ASP 348.A O no hydrogen 3.289 N/A ALA 338.A N LYS 346.A O no hydrogen 2.754 N/A ASP 340.A N GLY 344.A O no hydrogen 2.639 N/A ARG 341.A N ASP 340.A OD1 no hydrogen 2.566 N/A SER 345.A OG GLN 300.A O no hydrogen 2.248 N/A LYS 346.A N ALA 338.A O no hydrogen 2.735 N/A LYS 346.A NZ ASP 340.A OD2 no hydrogen 3.491 N/A ARG 347.A NE GLU 333.A OE1 no hydrogen 3.493 N/A ARG 347.A NH2 GLU 333.A OE1 no hydrogen 3.305 N/A ARG 347.A NH2 GLU 333.A OE2 no hydrogen 2.797 N/A LEU 356.A N SER 353.A O no hydrogen 3.296 N/A LYS 360.A N LEU 356.A O no hydrogen 3.072 N/A ILE 361.A N PRO 357.A O no hydrogen 2.915 N/A ILE 362.A N LEU 358.A O no hydrogen 2.954 N/A GLN 363.A N VAL 359.A O no hydrogen 2.977 N/A GLN 364.A N LYS 360.A O no hydrogen 3.077 N/A LEU 365.A N ILE 362.A O no hydrogen 3.316 N/A ARG 370.A N ASP 368.A OD1 no hydrogen 3.127 N/A LYS 372.A N ASP 368.A O no hydrogen 3.399 N/A SER 373.A OG GLU 210.A OE2 no hydrogen 3.548 N/A SER 373.A OG ILE 369.A O no hydrogen 2.634 N/A ILE 374.A N PHE 371.A O no hydrogen 3.324 N/A VAL 375.A N PHE 371.A O no hydrogen 3.235 N/A ASN 376.A N ILE 237.A O no hydrogen 3.051 N/A GLY 380.A N TRP 321.A O no hydrogen 3.298 N/A ASP 391.A N THR 388.A O no hydrogen 3.247 N/A SER 395.A N ASP 391.A O no hydrogen 2.929 N/A ASP 396.A N LYS 392.A O no hydrogen 2.914 N/A GLU 397.A N ALA 393.A O no hydrogen 2.930 N/A VAL 398.A N MET 394.A O no hydrogen 2.971 N/A ASP 399.A N SER 395.A O no hydrogen 2.899 N/A TYR 400.A N ASP 396.A O no hydrogen 2.924 N/A PHE 401.A N GLU 397.A O no hydrogen 2.955 N/A PHE 402.A N VAL 398.A O no hydrogen 2.903 N/A LYS 404.A NZ GLU 409.A O no hydrogen 3.063 N/A LYS 404.A NZ ASN 410.A OD1 no hydrogen 2.949 N/A LYS 406.A N ARG 449.A O no hydrogen 3.006 N/A LYS 406.A NZ GLU 448.A O no hydrogen 3.349 N/A ASN 413.A N ASN 202.A O no hydrogen 3.206 N/A ASN 413.A ND2 ASN 202.A OD1 no hydrogen 3.454 N/A VAL 414.A N ASN 202.A O no hydrogen 3.311 N/A HIS 415.A N ILE 184.A O no hydrogen 2.910 N/A HIS 415.A NE2 THR 206.A OG1 no hydrogen 2.998 N/A ILE 416.A N LYS 204.A O no hydrogen 3.208 N/A VAL 417.A N ILE 186.A O no hydrogen 3.115 N/A ASN 418.A N THR 206.A O no hydrogen 3.064 N/A MET 419.A N ASP 188.A O no hydrogen 2.716 N/A ASN 421.A ND2 LEU 208.A O no hydrogen 3.160 N/A HIS 426.A N ALA 423.A O no hydrogen 3.146 N/A MET 429.A N HIS 426.A O no hydrogen 3.305 N/A LEU 430.A N HIS 426.A O no hydrogen 3.315 N/A LEU 431.A N ALA 427.A O no hydrogen 3.406 N/A SER 432.A OG SER 432.A O no hydrogen 2.491 N/A GLU 436.A N ALA 433.A O no hydrogen 3.282 N/A MET 437.A N ALA 433.A O no hydrogen 3.088 N/A PHE 438.A N LEU 434.A O no hydrogen 2.939 N/A GLU 440.A N GLU 436.A O no hydrogen 2.916 N/A ILE 441.A N MET 437.A O no hydrogen 2.943 N/A LEU 442.A N PHE 438.A O no hydrogen 2.882 N/A PHE 443.A N ALA 439.A O no hydrogen 2.918 N/A ARG 445.A N ILE 441.A O no hydrogen 2.918 N/A GLU 448.A N GLU 448.A OE1 no hydrogen 2.584 N/A SER 450.A OG GLN 447.A O no hydrogen 3.301 N/A TYR 451.A OH GLN 408.A O no hydrogen 3.341 N/A THR 453.A N LYS 476.A O no hydrogen 3.463 N/A THR 453.A OG1 ARG 183.A O no hydrogen 3.233 N/A VAL 454.A N ARG 183.A O no hydrogen 2.936 N/A LEU 455.A N SER 478.A O no hydrogen 3.045 N/A LEU 456.A N VAL 185.A O no hydrogen 3.227 N/A LEU 457.A N ILE 480.A O no hydrogen 2.947 N/A HIS 462.A N GLU 459.A O no hydrogen 3.219 N/A TYR 463.A N ALA 460.A O no hydrogen 3.248 N/A TYR 463.A OH GLU 458.A O no hydrogen 3.022 N/A ARG 465.A NE HIS 461.A O no hydrogen 3.096 N/A ARG 465.A NH2 HIS 461.A O no hydrogen 2.964 N/A ARG 467.A NH2 GLU 440.A OE2 no hydrogen 3.454 N/A LYS 470.A N ARG 467.A O no hydrogen 3.054 N/A ARG 473.A NE ARG 473.A O no hydrogen 2.753 N/A LYS 476.A N ARG 473.A O no hydrogen 3.439 N/A CYS 477.A N GLY 472.A O no hydrogen 2.676 N/A SER 478.A OG THR 453.A O no hydrogen 3.032 N/A ILE 480.A N LEU 455.A O no hydrogen 3.088 N/A VAL 481.A N LEU 154.A O no hydrogen 3.152 N/A SER 482.A N LEU 457.A O no hydrogen 3.239 N/A SER 482.A OG ASN 168.A OD1 no hydrogen 3.164 N/A THR 483.A N VAL 156.A O no hydrogen 3.341 N/A THR 483.A OG1 HIS 461.A ND1 no hydrogen 3.259 N/A ARG 485.A N THR 483.A OG1 no hydrogen 3.289 N/A ARG 485.A NH1 ASP 510.A OD2 no hydrogen 3.394 N/A SER 487.A OG ASP 510.A OD1 no hydrogen 3.242 N/A GLU 488.A N ARG 485.A O no hydrogen 3.118 N/A VAL 493.A N SER 490.A O no hydrogen 3.261 N/A ALA 495.A N PRO 491.A O no hydrogen 2.915 N/A CYS 497.A SG VAL 493.A O no hydrogen 3.461 N/A CYS 497.A SG LEU 494.A O no hydrogen 3.846 N/A SER 498.A N HIS 153.A O no hydrogen 3.327 N/A ASN 499.A ND2 LYS 148.A O no hydrogen 3.589 N/A TRP 500.A N PHE 540.A O no hydrogen 3.252 N/A PHE 501.A N ALA 155.A O no hydrogen 3.043 N/A SER 502.A N VAL 538.A O no hydrogen 3.138 N/A SER 502.A OG LEU 503.A O no hydrogen 3.364 N/A LEU 503.A N LEU 157.A O no hydrogen 3.061 N/A ARG 504.A NE LEU 532.A O no hydrogen 2.903 N/A ARG 504.A NH2 LEU 532.A O no hydrogen 3.401 N/A LEU 505.A N ILE 529.A O no hydrogen 3.480 N/A ARG 509.A N ASN 507.A OD1 no hydrogen 3.509 N/A ASP 510.A N ASN 507.A O no hydrogen 3.341 N/A ARG 515.A N LEU 511.A O no hydrogen 2.932 N/A TYR 516.A N GLN 512.A O no hydrogen 2.884 N/A ALA 517.A N ALA 513.A O no hydrogen 2.929 N/A MET 518.A N LEU 514.A O no hydrogen 3.410 N/A LEU 526.A N GLU 523.A O no hydrogen 3.416 N/A GLY 531.A N GLN 528.A O no hydrogen 3.092 N/A ALA 537.A N ILE 550.A O no hydrogen 3.319 N/A VAL 538.A N SER 502.A O no hydrogen 2.914 N/A ALA 539.A N VAL 548.A O no hydrogen 3.299 N/A PHE 540.A N TRP 500.A O no hydrogen 3.340 N/A SER 542.A N ASN 499.A OD1 no hydrogen 2.983 N/A VAL 548.A N ALA 539.A O no hydrogen 3.438 N/A ILE 550.A N ALA 537.A O no hydrogen 3.092 N/A SER 551.A N VAL 133.A O no hydrogen 3.042 N/A ILE 552.A N GLY 535.A O no hydrogen 3.307 N/A ASN 553.A N LEU 131.A O no hydrogen 3.243 N/A ALA 555.A N ASN 166.A OD1 no hydrogen 3.158 N/A LYS 560.A N GLU 192.A O no hydrogen 3.148 N/A SER 562.A OG ASP 563.A O no hydrogen 3.542 N/A SER 567.A OG GLU 568.A OE1 no hydrogen 2.790 N/A TRP 570.A N PHE 566.A O no hydrogen 3.081 N/A