Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 MET 1.A O no hydrogen 3.535 N/A GLY 4.A N VAL 64.A O no hydrogen 3.280 N/A GLN 7.A N ILE 15.A O no hydrogen 2.696 N/A LYS 8.A N ILE 15.A O no hydrogen 2.716 N/A ILE 15.A N LYS 8.A O no hydrogen 2.987 N/A LYS 17.A N VAL 5.A O no hydrogen 3.411 N/A GLY 18.A N ASP 45.A OD2 no hydrogen 3.456 N/A ARG 23.A N GLY 21.A O no hydrogen 2.532 N/A TYR 25.A N ILE 39.A O no hydrogen 2.499 N/A CYS 28.A N GLY 37.A O no hydrogen 2.404 N/A CYS 28.A SG ASP 26.A O no hydrogen 3.228 N/A CYS 28.A SG SER 66.A OG no hydrogen 3.266 N/A GLY 31.A N PRO 63.A O no hydrogen 3.324 N/A GLU 32.A N GLU 62.A OE1 no hydrogen 2.635 N/A GLU 33.A N GLY 31.A O no hydrogen 2.502 N/A VAL 36.A N GLY 34.A O no hydrogen 2.410 N/A GLY 37.A N CYS 28.A O no hydrogen 2.845 N/A GLU 38.A N GLN 50.A O no hydrogen 3.374 N/A ILE 39.A N ASP 26.A O no hydrogen 2.863 N/A ASP 43.A N THR 46.A O no hydrogen 2.813 N/A PHE 48.A N ARG 41.A O no hydrogen 3.242 N/A VAL 49.A N VAL 14.A O no hydrogen 3.014 N/A TYR 52.A OH GLU 38.A OE2 no hydrogen 3.393 N/A THR 55.A OG1 PRO 12.A O no hydrogen 3.413 N/A LYS 59.A N GLU 62.A OE2 no hydrogen 2.349 N/A VAL 65.A N LYS 29.A O no hydrogen 2.707 N/A SER 66.A OG ILE 27.A O no hydrogen 3.489 N/A THR 67.A OG1 ILE 27.A O no hydrogen 2.945 N/A THR 67.A OG1 SER 66.A O no hydrogen 2.742 N/A VAL 73.A N TRP 187.A O no hydrogen 3.239 N/A ILE 83.A N GLU 92.A OE1 no hydrogen 3.255 N/A ASP 85.A N ARG 89.A O no hydrogen 2.686 N/A GLY 86.A N ASN 290.A OD1 no hydrogen 3.329 N/A GLN 88.A N ASP 85.A O no hydrogen 3.018 N/A GLN 88.A NE2 GLU 74.A O no hydrogen 2.470 N/A ARG 93.A NH2 GLU 114.A OE1 no hydrogen 3.439 N/A ARG 93.A NH2 GLU 114.A OE2 no hydrogen 3.363 N/A ARG 95.A N LEU 91.A O no hydrogen 2.822 N/A GLU 96.A N GLU 92.A O no hydrogen 2.893 N/A LYS 97.A N ARG 93.A O no hydrogen 2.953 N/A LYS 97.A N ILE 94.A O no hydrogen 3.107 N/A THR 98.A N ILE 94.A O no hydrogen 2.757 N/A THR 98.A OG1 ILE 94.A O no hydrogen 2.552 N/A THR 98.A OG1 TYR 101.A O no hydrogen 3.326 N/A GLY 99.A N THR 98.A OG1 no hydrogen 2.457 N/A TRP 119.A NE1 VAL 172.A O no hydrogen 2.611 N/A THR 120.A OG1 THR 137.A O no hydrogen 3.491 N/A GLY 132.A N VAL 149.A O no hydrogen 3.084 N/A MET 133.A N ARG 130.A O no hydrogen 2.914 N/A HIS 145.A ND1 GLU 140.A OE2 no hydrogen 3.000 N/A HIS 145.A NE2 TYR 312.A OH no hydrogen 2.682 N/A VAL 149.A N MET 133.A O no hydrogen 3.300 N/A VAL 153.A N PRO 150.A O no hydrogen 2.983 N/A VAL 157.A N ASP 127.A O no hydrogen 2.933 N/A LYS 158.A N VAL 174.A O no hydrogen 3.190 N/A TYR 166.A N TRP 117.A O no hydrogen 3.011 N/A THR 167.A N GLU 170.A OE2 no hydrogen 3.111 N/A THR 167.A OG1 GLU 170.A OE2 no hydrogen 3.256 N/A VAL 168.A N ASP 112.A O no hydrogen 3.513 N/A GLU 169.A N THR 167.A OG1 no hydrogen 3.184 N/A GLU 170.A N THR 167.A OG1 no hydrogen 2.964 N/A GLU 176.A N ARG 156.A O no hydrogen 2.348 N/A ASP 177.A N LEU 175.A O no hydrogen 2.922 N/A LEU 181.A N VAL 173.A O no hydrogen 2.620 N/A LYS 182.A N GLU 180.A O no hydrogen 3.022 N/A HIS 185.A N LEU 75.A O no hydrogen 2.934 N/A TRP 187.A N VAL 73.A O no hydrogen 3.512 N/A ARG 193.A N GLU 311.A OE2 no hydrogen 2.772 N/A ARG 193.A NH1 HIS 185.A NE2 no hydrogen 3.226 N/A ARG 193.A NH2 HIS 185.A NE2 no hydrogen 3.414 N/A ARG 197.A N ILE 369.A O no hydrogen 3.290 N/A THR 207.A N ASP 213.A OD2 no hydrogen 3.100 N/A THR 207.A OG1 SER 240.A O no hydrogen 3.309 N/A THR 207.A OG1 LEU 241.A O no hydrogen 2.938 N/A ARG 210.A NH1 LYS 511.A O no hydrogen 3.174 N/A LEU 212.A N MET 209.A O no hydrogen 3.311 N/A LYS 234.A NZ GLY 228.A O no hydrogen 3.478 N/A THR 235.A OG1 GLU 257.A OE1 no hydrogen 2.501 N/A THR 235.A OG1 GLU 261.A O no hydrogen 3.363 N/A THR 235.A OG1 GLU 261.A OE2 no hydrogen 2.696 N/A THR 235.A OG1 ASP 325.A OD1 no hydrogen 2.713 N/A THR 235.A OG1 ASP 325.A OD2 no hydrogen 2.572 N/A THR 237.A N GLY 233.A O no hydrogen 2.604 N/A GLN 239.A N VAL 236.A O no hydrogen 2.800 N/A SER 240.A OG SER 240.A O no hydrogen 2.545 N/A LYS 243.A N GLN 239.A O no hydrogen 3.442 N/A SER 245.A OG LEU 241.A O no hydrogen 2.289 N/A SER 245.A OG ASN 246.A O no hydrogen 3.532 N/A VAL 251.A N ALA 321.A O no hydrogen 3.258 N/A TYR 252.A OH ASP 325.A OD1 no hydrogen 2.708 N/A VAL 253.A N MET 323.A O no hydrogen 3.381 N/A CYS 255.A N ASP 325.A O no hydrogen 3.278 N/A CYS 255.A SG ARG 299.A O no hydrogen 2.809 N/A GLU 257.A N ASN 290.A O no hydrogen 2.286 N/A MET 262.A N ARG 258.A O no hydrogen 2.640 N/A MET 262.A N GLY 259.A O no hydrogen 3.279 N/A THR 263.A N GLY 259.A O no hydrogen 2.875 N/A THR 263.A OG1 GLY 259.A O no hydrogen 2.844 N/A PHE 269.A N VAL 265.A O no hydrogen 3.208 N/A GLU 271.A N GLU 268.A O no hydrogen 2.959 N/A GLU 271.A N GLU 271.A OE2 no hydrogen 2.612 N/A ASP 274.A N GLY 278.A O no hydrogen 2.746 N/A THR 277.A OG1 HIS 283.A ND1 no hydrogen 2.417 N/A HIS 283.A N PRO 280.A O no hydrogen 3.285 N/A HIS 283.A ND1 THR 277.A OG1 no hydrogen 2.417 N/A ARG 284.A N LEU 281.A O no hydrogen 2.960 N/A THR 285.A N LEU 281.A O no hydrogen 3.280 N/A THR 285.A OG1 LEU 281.A O no hydrogen 3.284 N/A ILE 288.A N TYR 252.A O no hydrogen 2.354 N/A THR 291.A OG1 ASN 293.A OD1 no hydrogen 2.483 N/A SER 292.A OG GLY 256.A O no hydrogen 2.164 N/A MET 294.A N THR 291.A O no hydrogen 2.930 N/A ALA 298.A N PRO 295.A O no hydrogen 2.618 N/A ARG 299.A N PRO 295.A O no hydrogen 3.081 N/A ARG 299.A NH1 SER 292.A O no hydrogen 3.031 N/A GLU 300.A N ALA 297.A O no hydrogen 2.746 N/A ALA 301.A N ALA 297.A O no hydrogen 3.176 N/A SER 302.A N ALA 298.A O no hydrogen 3.067 N/A SER 302.A OG GLY 254.A O no hydrogen 2.683 N/A VAL 305.A N SER 302.A O no hydrogen 3.298 N/A GLY 306.A N SER 302.A O no hydrogen 3.098 N/A GLY 306.A N ILE 303.A O no hydrogen 2.709 N/A VAL 307.A N ILE 303.A O no hydrogen 3.141 N/A ALA 310.A N GLY 306.A O no hydrogen 3.324 N/A TYR 312.A N THR 308.A O no hydrogen 2.718 N/A TYR 312.A OH HIS 145.A NE2 no hydrogen 2.682 N/A ARG 314.A N ALA 310.A O no hydrogen 3.093 N/A ARG 314.A NH1 GLU 311.A OE2 no hydrogen 2.864 N/A ARG 314.A NH2 ARG 193.A O no hydrogen 2.858 N/A ASP 315.A N GLU 311.A O no hydrogen 2.932 N/A GLN 316.A NE2 TYR 312.A O no hydrogen 2.237 N/A GLY 317.A N ARG 314.A O no hydrogen 2.512 N/A PHE 318.A N ARG 314.A O no hydrogen 2.890 N/A SER 319.A N ASP 248.A OD1 no hydrogen 2.642 N/A SER 319.A OG MET 220.A O no hydrogen 3.322 N/A VAL 320.A N PHE 318.A O no hydrogen 2.439 N/A ALA 321.A N VAL 249.A O no hydrogen 2.845 N/A LEU 322.A N THR 379.A O no hydrogen 3.118 N/A MET 323.A N VAL 251.A O no hydrogen 3.308 N/A ASP 325.A N VAL 253.A O no hydrogen 2.798 N/A SER 326.A OG SER 385.A OG no hydrogen 3.105 N/A THR 327.A OG1 TYR 362.A OH no hydrogen 3.372 N/A ARG 329.A N SER 326.A O no hydrogen 3.392 N/A TRP 330.A N THR 327.A O no hydrogen 3.326 N/A GLU 332.A N SER 328.A O no hydrogen 3.342 N/A ALA 333.A N ARG 329.A O no hydrogen 3.233 N/A ALA 333.A N TRP 330.A O no hydrogen 3.015 N/A LEU 334.A N TRP 330.A O no hydrogen 2.710 N/A ARG 335.A N ALA 331.A O no hydrogen 2.785 N/A ARG 335.A NH2 TYR 350.A OH no hydrogen 2.572 N/A GLU 336.A N ALA 333.A O no hydrogen 2.933 N/A ILE 337.A N LEU 334.A O no hydrogen 3.226 N/A SER 338.A N ARG 335.A O no hydrogen 3.149 N/A SER 338.A OG ARG 335.A O no hydrogen 2.947 N/A SER 339.A OG GLU 336.A O no hydrogen 3.284 N/A SER 339.A OG GLU 336.A OE2 no hydrogen 2.714 N/A ARG 340.A N GLU 336.A O no hydrogen 3.477 N/A LEU 341.A N ILE 337.A O no hydrogen 2.693 N/A LEU 341.A N SER 338.A O no hydrogen 2.817 N/A TYR 350.A N GLU 347.A O no hydrogen 3.189 N/A LEU 354.A N PRO 352.A O no hydrogen 2.308 N/A ARG 357.A N TYR 353.A O no hydrogen 3.192 N/A LEU 358.A N ALA 355.A O no hydrogen 2.795 N/A ALA 359.A N ALA 355.A O no hydrogen 3.043 N/A TYR 362.A N LEU 358.A O no hydrogen 2.579 N/A TYR 362.A OH THR 327.A OG1 no hydrogen 3.372 N/A ARG 364.A NH1 VAL 189.A O no hydrogen 2.285 N/A ARG 364.A NH2 VAL 189.A O no hydrogen 2.480 N/A VAL 368.A N GLY 376.A O no hydrogen 2.557 N/A GLY 372.A N THR 370.A OG1 no hydrogen 3.332 N/A GLY 373.A N THR 370.A O no hydrogen 3.306 N/A THR 379.A N VAL 320.A O no hydrogen 3.389 N/A SER 385.A N SER 328.A OG no hydrogen 2.196 N/A SER 385.A OG SER 326.A OG no hydrogen 3.105 N/A THR 396.A N GLU 393.A O no hydrogen 2.660 N/A THR 396.A OG1 MET 391.A O no hydrogen 2.557 N/A THR 396.A OG1 GLU 393.A O no hydrogen 2.695 N/A GLN 397.A N GLU 393.A O no hydrogen 3.339 N/A SER 398.A N PRO 394.A O no hydrogen 2.751 N/A SER 398.A OG PRO 394.A O no hydrogen 2.263 N/A THR 399.A N THR 396.A O no hydrogen 3.391 N/A THR 399.A OG1 VAL 395.A O no hydrogen 2.594 N/A LEU 400.A N GLN 397.A O no hydrogen 2.469 N/A VAL 403.A N THR 399.A O no hydrogen 3.334 N/A ARG 408.A N SER 427.A OG no hydrogen 2.958 N/A ALA 411.A N ASP 410.A OD1 no hydrogen 2.529 N/A ARG 416.A N SER 412.A O no hydrogen 2.828 N/A HIS 418.A N LEU 413.A O no hydrogen 2.905 N/A HIS 418.A ND1 GLN 496.A OE1 no hydrogen 2.559 N/A ASN 423.A N ARG 408.A O no hydrogen 2.646 N/A GLY 426.A N ASN 423.A OD1 no hydrogen 2.592 N/A SER 429.A OG PRO 217.A O no hydrogen 3.207 N/A THR 432.A OG1 LEU 215.A O no hydrogen 3.111 N/A ARG 440.A N ASP 436.A O no hydrogen 2.553 N/A GLU 441.A N PRO 437.A O no hydrogen 3.347 N/A ASN 442.A N TRP 438.A O no hydrogen 2.956 N/A ASN 442.A ND2 TRP 438.A O no hydrogen 3.342 N/A VAL 443.A N TYR 439.A O no hydrogen 2.527 N/A ALA 444.A N TYR 439.A O no hydrogen 3.216 N/A TYR 447.A N ALA 444.A O no hydrogen 3.240 N/A GLU 449.A N ASP 446.A O no hydrogen 2.954 N/A LEU 450.A N ASP 446.A O no hydrogen 3.176 N/A ARG 451.A N TYR 447.A O no hydrogen 2.943 N/A ARG 451.A NH1 VAL 214.A O no hydrogen 3.471 N/A ARG 451.A NH1 THR 432.A OG1 no hydrogen 2.592 N/A ARG 451.A NH2 THR 432.A OG1 no hydrogen 2.707 N/A ASP 452.A N PRO 448.A O no hydrogen 3.168 N/A ALA 453.A N GLU 449.A O no hydrogen 3.131 N/A SER 455.A N ARG 451.A O no hydrogen 3.305 N/A SER 455.A OG ASP 452.A O no hydrogen 2.820 N/A LEU 457.A N ILE 454.A O no hydrogen 2.611 N/A LEU 458.A N ILE 454.A O no hydrogen 3.089 N/A GLN 459.A N SER 455.A O no hydrogen 3.051 N/A GLN 459.A NE2 ASN 425.A OD1 no hydrogen 3.051 N/A GLU 461.A N LEU 457.A O no hydrogen 2.440 N/A GLY 463.A N ARG 460.A O no hydrogen 2.525 N/A LEU 464.A N GLU 461.A O no hydrogen 2.898 N/A GLN 465.A N GLU 461.A O no hydrogen 3.155 N/A GLN 465.A NE2 GLU 461.A OE2 no hydrogen 3.034 N/A GLU 466.A N ALA 462.A O no hydrogen 2.826 N/A VAL 468.A N LEU 464.A O no hydrogen 2.629 N/A GLN 469.A N GLN 465.A O no hydrogen 3.090 N/A GLN 469.A NE2 GLN 469.A O no hydrogen 3.041 N/A LEU 470.A N ILE 467.A O no hydrogen 2.793 N/A VAL 471.A N VAL 468.A O no hydrogen 2.963 N/A LEU 476.A N PRO 473.A O no hydrogen 3.317 N/A GLN 477.A NE2 GLU 480.A OE1 no hydrogen 2.712 N/A ARG 481.A NH2 GLN 477.A O no hydrogen 2.451 N/A VAL 483.A N ALA 479.A O no hydrogen 3.476 N/A GLU 485.A N ARG 481.A O no hydrogen 3.401 N/A VAL 486.A N LEU 482.A O no hydrogen 3.333 N/A GLY 487.A N VAL 483.A O no hydrogen 2.765 N/A ARG 488.A N ILE 484.A O no hydrogen 2.829 N/A ILE 489.A N GLU 485.A O no hydrogen 2.720 N/A ILE 490.A N VAL 486.A O no hydrogen 2.923 N/A ARG 491.A N ARG 488.A O no hydrogen 2.899 N/A GLU 492.A N ARG 488.A O no hydrogen 3.258 N/A GLU 492.A N ILE 489.A O no hydrogen 2.677 N/A ASP 493.A N ILE 489.A O no hydrogen 3.021 N/A GLN 496.A N ARG 491.A O no hydrogen 3.038 N/A GLN 496.A NE2 GLU 492.A O no hydrogen 3.246 N/A GLN 497.A N PHE 419.A O no hydrogen 2.389 N/A GLN 497.A NE2 GLY 208.A O no hydrogen 2.471 N/A ASN 498.A N ASP 504.A OD2 no hydrogen 2.927 N/A HIS 501.A N ASN 498.A O no hydrogen 2.877 N/A TYR 506.A N VAL 503.A O no hydrogen 2.695 N/A CYS 507.A SG GLN 497.A OE1 no hydrogen 3.813 N/A CYS 507.A SG ASP 504.A O no hydrogen 3.621 N/A CYS 507.A SG ASP 504.A OD1 no hydrogen 3.578 N/A CYS 507.A SG TYR 506.A O no hydrogen 3.015 N/A LYS 511.A N SER 508.A O no hydrogen 3.082 N/A LYS 511.A NZ TYR 506.A O no hydrogen 2.188 N/A LYS 511.A NZ GLU 556.A OE2 no hydrogen 3.166 N/A ALA 512.A N SER 508.A O no hydrogen 2.475 N/A TYR 513.A N MET 509.A O no hydrogen 2.305 N/A GLY 514.A N LYS 510.A O no hydrogen 3.289 N/A MET 516.A N ALA 512.A O no hydrogen 3.443 N/A LYS 517.A N GLY 514.A O no hydrogen 2.334 N/A MET 518.A N GLY 514.A O no hydrogen 3.349 N/A ALA 521.A N LYS 517.A O no hydrogen 3.037 N/A TYR 523.A N ILE 519.A O no hydrogen 2.858 N/A LYS 524.A N LEU 520.A O no hydrogen 2.599 N/A GLU 525.A N ALA 521.A O no hydrogen 2.632 N/A ALA 526.A N PHE 522.A O no hydrogen 2.354 N/A GLU 527.A N TYR 523.A O no hydrogen 2.778 N/A ALA 529.A N GLU 525.A O no hydrogen 2.992 N/A ALA 529.A N ALA 526.A O no hydrogen 3.152 N/A ILE 530.A N ALA 526.A O no hydrogen 3.110 N/A ARG 532.A N ALA 528.A O no hydrogen 3.175 N/A ARG 532.A NH2 LYS 575.A O no hydrogen 3.253 N/A GLY 533.A N ALA 529.A O no hydrogen 3.244 N/A VAL 534.A N ALA 529.A O no hydrogen 2.670 N/A SER 535.A OG ASP 537.A OD2 no hydrogen 2.554 N/A GLU 538.A N SER 535.A O no hydrogen 3.254 N/A LEU 540.A N ILE 536.A O no hydrogen 2.628 N/A LEU 542.A N ILE 539.A O no hydrogen 3.458 N/A LEU 545.A N LEU 542.A O no hydrogen 3.067 N/A GLU 546.A N PRO 543.A O no hydrogen 3.072 N/A ARG 547.A N VAL 544.A O no hydrogen 2.958 N/A ARG 547.A NH1 TYR 562.A O no hydrogen 3.471 N/A ILE 548.A N VAL 544.A O no hydrogen 3.301 N/A ILE 548.A N LEU 545.A O no hydrogen 3.197 N/A ARG 550.A N ARG 547.A O no hydrogen 3.179 N/A VAL 554.A N ALA 551.A O no hydrogen 3.318 N/A PHE 559.A N SER 555.A O no hydrogen 2.745 N/A TYR 562.A N GLU 558.A O no hydrogen 2.802 N/A PHE 563.A N PHE 559.A O no hydrogen 2.986 N/A GLU 565.A N TYR 562.A O no hydrogen 3.363 N/A ALA 566.A N PHE 563.A O no hydrogen 2.831 N/A MET 567.A N PHE 563.A O no hydrogen 2.871 N/A ILE 570.A N ALA 566.A O no hydrogen 2.910 N/A GLY 572.A N LYS 568.A O no hydrogen 3.275 N/A ALA 573.A N GLU 569.A O no hydrogen 2.583 N/A