Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pwa_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 226.A N ASN 320.A OD1 no hydrogen 3.437 N/A SER 226.A OG ASN 320.A OD1 no hydrogen 3.505 N/A CYS 231.A SG THR 243.A O no hydrogen 3.651 N/A SER 233.A OG ASP 298.A OD2 no hydrogen 2.918 N/A THR 234.A N ILE 241.A O no hydrogen 3.216 N/A LEU 236.A N ARG 239.A O no hydrogen 3.158 N/A ASP 238.A N LEU 236.A O no hydrogen 2.866 N/A ARG 239.A NE GLU 686.A OE1 no hydrogen 3.210 N/A ARG 239.A NH1 ASP 238.A O no hydrogen 3.402 N/A VAL 240.A N TRP 687.A O no hydrogen 3.153 N/A ILE 241.A N THR 234.A O no hydrogen 3.165 N/A THR 242.A N ILE 685.A O no hydrogen 3.172 N/A THR 242.A OG1 ILE 685.A O no hydrogen 3.441 N/A THR 243.A N ASP 232.A O no hydrogen 2.932 N/A SER 244.A N VAL 683.A O no hydrogen 2.992 N/A SER 244.A OG CYS 292.A O no hydrogen 2.932 N/A THR 245.A OG1 HIS 230.A O no hydrogen 2.434 N/A ARG 246.A N VAL 681.A O no hydrogen 3.194 N/A ARG 246.A NE PRO 366.A O no hydrogen 3.327 N/A ARG 246.A NH1 THR 245.A O no hydrogen 3.220 N/A ARG 246.A NH2 PRO 366.A O no hydrogen 3.366 N/A THR 247.A OG1 GLN 680.A OE1 no hydrogen 3.445 N/A TRP 248.A N GLY 679.A O no hydrogen 2.833 N/A TRP 248.A NE1 GLN 680.A O no hydrogen 2.709 N/A LEU 250.A N SER 677.A O no hydrogen 2.826 N/A THR 252.A OG1 GLN 675.A O no hydrogen 2.974 N/A TYR 253.A OH ILE 375.A O no hydrogen 2.472 N/A ASN 254.A ND2 LEU 257.A O no hydrogen 3.602 N/A ASN 254.A ND2 SER 279.A OG no hydrogen 2.942 N/A ASN 254.A ND2 THR 280.A O no hydrogen 3.519 N/A HIS 256.A N TYR 253.A O no hydrogen 3.145 N/A TYR 258.A OH GLU 399.A OE1 no hydrogen 3.056 N/A LYS 259.A N SER 279.A O no hydrogen 3.098 N/A ILE 261.A N GLY 277.A O no hydrogen 2.994 N/A ASN 263.A N TYR 275.A O no hydrogen 3.179 N/A ASN 273.A N THR 270.A O no hydrogen 3.371 N/A TYR 275.A N ASN 263.A O no hydrogen 3.380 N/A GLY 277.A N ILE 261.A O no hydrogen 2.978 N/A TYR 278.A N TYR 380.A O no hydrogen 3.094 N/A SER 279.A N LYS 259.A O no hydrogen 2.907 N/A THR 280.A N TYR 378.A O no hydrogen 3.131 N/A THR 280.A OG1 TYR 378.A O no hydrogen 2.391 N/A GLY 283.A N ILE 651.A O no hydrogen 2.837 N/A PHE 285.A N ILE 649.A O no hydrogen 3.128 N/A ASN 288.A N ASP 286.A OD1 no hydrogen 3.032 N/A ASN 288.A ND2 TRP 621.A O no hydrogen 3.068 N/A PHE 290.A N GLY 618.A O no hydrogen 3.032 N/A CYS 292.A SG ARG 289.A O no hydrogen 3.878 N/A CYS 292.A SG LEU 365.A O no hydrogen 3.619 N/A HIS 293.A N PHE 290.A O no hydrogen 3.362 N/A TRP 299.A N SER 295.A O no hydrogen 2.925 N/A GLN 300.A N PRO 296.A O no hydrogen 2.951 N/A GLN 300.A NE2 TYR 703.A O no hydrogen 2.746 N/A ARG 301.A N ARG 297.A O no hydrogen 2.911 N/A LEU 302.A N ASP 298.A O no hydrogen 2.948 N/A ILE 303.A N TRP 299.A O no hydrogen 2.976 N/A ASN 306.A ND2 LEU 302.A O no hydrogen 3.252 N/A TRP 307.A N GLN 690.A O no hydrogen 2.947 N/A ARG 310.A N GLU 688.A O no hydrogen 3.133 N/A ARG 310.A NE GLU 688.A OE1 no hydrogen 3.199 N/A ARG 310.A NH1 VAL 421.A O no hydrogen 2.772 N/A ARG 310.A NH2 GLU 688.A OE1 no hydrogen 3.327 N/A LYS 312.A N GLU 686.A O no hydrogen 2.815 N/A LEU 314.A N TYR 416.A O no hydrogen 3.070 N/A SER 315.A N GLU 684.A O no hydrogen 2.855 N/A LYS 317.A N SER 682.A O no hydrogen 3.019 N/A LEU 318.A N PHE 412.A O no hydrogen 2.859 N/A ASN 320.A N SER 226.A OG no hydrogen 3.209 N/A GLN 322.A N THR 678.A O no hydrogen 2.925 N/A LYS 324.A N TYR 676.A O no hydrogen 2.944 N/A LYS 324.A NZ ASN 337.A OD1 no hydrogen 2.546 N/A GLU 325.A N ALA 336.A O no hydrogen 3.021 N/A VAL 326.A N THR 674.A O no hydrogen 3.394 N/A THR 327.A N THR 334.A O no hydrogen 2.982 N/A ASN 329.A N THR 332.A O no hydrogen 3.117 N/A THR 332.A N ASN 329.A O no hydrogen 2.757 N/A THR 332.A OG1 ASN 329.A O no hydrogen 2.472 N/A THR 332.A OG1 GLU 330.A OE1 no hydrogen 3.258 N/A THR 334.A N THR 327.A O no hydrogen 3.097 N/A ALA 336.A N GLU 325.A O no hydrogen 3.006 N/A ASN 338.A N VAL 323.A O no hydrogen 3.120 N/A THR 342.A OG1 THR 654.A OG1 no hydrogen 2.406 N/A ILE 343.A N LEU 406.A O no hydrogen 3.073 N/A GLN 344.A N LYS 652.A O no hydrogen 2.813 N/A VAL 345.A N GLN 404.A O no hydrogen 3.083 N/A PHE 346.A N LEU 650.A O no hydrogen 3.216 N/A ASP 348.A N GLN 648.A O no hydrogen 3.147 N/A TYR 351.A OH PRO 645.A O no hydrogen 2.347 N/A GLN 352.A N ASP 348.A OD2 no hydrogen 3.354 N/A TYR 355.A OH PRO 646.A O no hydrogen 3.038 N/A CYS 364.A SG LEU 365.A O no hydrogen 3.269 N/A PHE 373.A N THR 247.A O no hydrogen 3.302 N/A ILE 375.A N ALA 249.A O no hydrogen 3.423 N/A GLN 377.A NE2 THR 280.A O no hydrogen 3.094 N/A TYR 378.A N TRP 282.A O no hydrogen 3.240 N/A TYR 378.A OH PRO 354.A O no hydrogen 3.045 N/A TYR 380.A N TYR 278.A O no hydrogen 3.304 N/A TYR 380.A OH TYR 396.A O no hydrogen 3.424 N/A THR 382.A N PHE 276.A O no hydrogen 3.008 N/A ASN 384.A ND2 GLY 386.A O no hydrogen 3.543 N/A ASN 385.A N GLN 388.A O no hydrogen 2.866 N/A VAL 390.A N SER 393.A OG no hydrogen 3.263 N/A SER 393.A N VAL 390.A O no hydrogen 3.380 N/A SER 393.A OG VAL 390.A O no hydrogen 3.083 N/A TYR 396.A N TYR 380.A OH no hydrogen 2.626 N/A LEU 398.A N TYR 258.A OH no hydrogen 3.052 N/A TYR 400.A N CYS 397.A O no hydrogen 3.166 N/A GLN 404.A N VAL 345.A O no hydrogen 3.010 N/A LEU 406.A N ILE 343.A O no hydrogen 3.001 N/A ARG 407.A N ASN 410.A OD1 no hydrogen 3.291 N/A ARG 407.A NH2 THR 340.A O no hydrogen 3.565 N/A THR 408.A OG1 ILE 321.A O no hydrogen 3.171 N/A ASN 410.A N ARG 407.A O no hydrogen 3.274 N/A ASN 411.A ND2 SER 226.A O no hydrogen 3.666 N/A PHE 412.A N LEU 318.A O no hydrogen 3.103 N/A TYR 416.A N LEU 314.A O no hydrogen 3.239 N/A PHE 418.A N LYS 312.A O no hydrogen 2.900 N/A SER 425.A OG GLN 610.A OE1 no hydrogen 3.399 N/A SER 426.A N TRP 307.A O no hydrogen 3.332 N/A SER 426.A OG SER 426.A O no hydrogen 2.408 N/A ALA 428.A N LEU 734.A O no hydrogen 2.927 N/A SER 430.A N ARG 736.A O no hydrogen 2.986 N/A SER 432.A OG ASP 434.A OD1 no hydrogen 3.023 N/A LEU 433.A N THR 570.A O no hydrogen 3.409 N/A ARG 435.A N SER 432.A O no hydrogen 3.411 N/A ARG 435.A NH1 ASP 434.A O no hydrogen 2.852 N/A GLN 443.A N GLY 468.A O no hydrogen 2.877 N/A GLN 443.A NE2 ALA 477.A O no hydrogen 3.524 N/A TYR 447.A N SER 466.A O no hydrogen 2.964 N/A SER 449.A N GLY 464.A O no hydrogen 3.004 N/A SER 449.A OG SER 466.A OG no hydrogen 2.999 N/A ARG 450.A N GLY 464.A O no hydrogen 3.272 N/A ARG 450.A NH1 GLN 452.A O no hydrogen 3.513 N/A THR 453.A N THR 460.A O no hydrogen 3.198 N/A THR 453.A OG1 ASN 459.A OD1 no hydrogen 3.373 N/A THR 454.A OG1 THR 454.A O no hydrogen 2.412 N/A GLY 456.A N ASN 459.A OD1 no hydrogen 3.361 N/A THR 460.A N THR 453.A OG1 no hydrogen 3.290 N/A THR 462.A N THR 451.A O no hydrogen 2.823 N/A THR 462.A OG1 LEU 463.A O no hydrogen 3.547 N/A GLY 464.A N ARG 450.A O no hydrogen 3.023 N/A SER 466.A N TYR 447.A O no hydrogen 3.091 N/A SER 466.A OG SER 449.A OG no hydrogen 2.999 N/A GLY 469.A N THR 472.A OG1 no hydrogen 3.354 N/A ASN 475.A N THR 472.A O no hydrogen 3.091 N/A ALA 477.A N GLN 443.A OE1 no hydrogen 3.515 N/A LYS 478.A NZ GLN 476.A O no hydrogen 3.295 N/A LEU 481.A N GLY 606.A O no hydrogen 2.989 N/A GLY 483.A N THR 571.A O no hydrogen 3.339 N/A CYS 485.A N GLN 601.A O no hydrogen 3.273 N/A CYS 485.A SG GLU 577.A O no hydrogen 4.031 N/A CYS 485.A SG ASN 599.A O no hydrogen 3.604 N/A TYR 486.A OH LYS 510.A O no hydrogen 3.162 N/A GLN 488.A N ALA 575.A O no hydrogen 3.104 N/A ARG 490.A N GLN 489.A OE1 no hydrogen 3.112 N/A VAL 491.A N PHE 537.A O no hydrogen 3.209 N/A SER 492.A N ASN 498.A OD1 no hydrogen 3.072 N/A SER 492.A OG THR 494.A O no hydrogen 3.159 N/A THR 493.A N ARG 535.A O no hydrogen 3.084 N/A THR 494.A N SER 492.A OG no hydrogen 2.939 N/A GLN 497.A N THR 494.A O no hydrogen 3.230 N/A ASN 498.A ND2 SER 492.A O no hydrogen 2.973 N/A ASN 500.A N ASN 499.A OD1 no hydrogen 2.714 N/A ALA 507.A N PHE 503.A O no hydrogen 3.314 N/A LYS 510.A NZ TRP 505.A O no hydrogen 2.986 N/A TYR 511.A N SER 518.A O no hydrogen 2.849 N/A HIS 512.A ND1 ASN 517.A OD1 no hydrogen 2.875 N/A LEU 513.A N ARG 516.A O no hydrogen 3.053 N/A ARG 516.A N LEU 513.A O no hydrogen 2.874 N/A ARG 516.A NH2 ASN 384.A OD1 no hydrogen 2.582 N/A SER 518.A N TYR 511.A O no hydrogen 3.113 N/A ALA 520.A N THR 509.A O no hydrogen 2.964 N/A ALA 527.A N PRO 573.A O no hydrogen 2.941 N/A LYS 530.A NZ GLU 533.A OE1 no hydrogen 3.186 N/A LYS 530.A NZ GLU 533.A OE2 no hydrogen 3.282 N/A LYS 530.A NZ GLU 577.A OE2 no hydrogen 2.767 N/A ARG 535.A NE GLN 497.A OE1 no hydrogen 3.369 N/A PHE 536.A N GLU 533.A O no hydrogen 3.480 N/A PHE 537.A N VAL 491.A O no hydrogen 3.101 N/A SER 539.A N GLN 489.A O no hydrogen 3.156 N/A SER 539.A OG ASN 540.A OD1 no hydrogen 3.290 N/A ASN 540.A ND2 THR 509.A O no hydrogen 3.610 N/A PHE 545.A N MET 561.A O no hydrogen 3.111 N/A LYS 547.A N ASP 559.A O no hydrogen 3.151 N/A GLN 548.A NE2 TYR 723.A O no hydrogen 3.056 N/A ASN 549.A N GLN 548.A OE1 no hydrogen 3.163 N/A TYR 557.A N ASP 556.A OD2 no hydrogen 2.622 N/A ASP 559.A N ASP 556.A O no hydrogen 3.458 N/A VAL 560.A N TYR 557.A O no hydrogen 3.509 N/A MET 561.A N PHE 545.A O no hydrogen 2.619 N/A THR 563.A OG1 LEU 543.A O no hydrogen 2.926 N/A GLU 565.A N THR 528.A OG1 no hydrogen 3.010 N/A LYS 569.A NZ ASP 531.A OD2 no hydrogen 2.974 N/A THR 571.A N ILE 568.A O no hydrogen 3.367 N/A ASN 572.A N ILE 568.A O no hydrogen 3.050 N/A ALA 575.A N ALA 527.A O no hydrogen 2.763 N/A GLU 577.A N VAL 574.A O no hydrogen 3.472 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.747 N/A TYR 579.A N VAL 598.A O no hydrogen 3.154 N/A VAL 582.A N GLY 596.A O no hydrogen 2.745 N/A ASN 585.A ND2 ALA 592.A O no hydrogen 3.438 N/A THR 591.A OG1 ASN 590.A OD1 no hydrogen 3.170 N/A GLN 594.A N ASN 585.A OD1 no hydrogen 3.079 N/A GLY 596.A N VAL 582.A O no hydrogen 2.595 N/A VAL 598.A N GLY 580.A O no hydrogen 3.425 N/A GLN 601.A N CYS 485.A O no hydrogen 2.906 N/A VAL 608.A N LEU 481.A O no hydrogen 3.403 N/A GLN 610.A N ASN 572.A OD1 no hydrogen 3.045 N/A ARG 612.A NE LEU 636.A O no hydrogen 3.089 N/A ARG 612.A NH1 GLY 541.A O no hydrogen 3.294 N/A ARG 612.A NH2 GLY 541.A O no hydrogen 3.486 N/A ASP 613.A N GLU 565.A OE1 no hydrogen 3.112 N/A TYR 615.A OH GLU 565.A OE2 no hydrogen 2.402 N/A GLY 618.A N TYR 615.A O no hydrogen 3.468 N/A ILE 620.A N ASN 288.A OD1 no hydrogen 3.050 N/A TRP 621.A N ASN 288.A OD1 no hydrogen 3.036 N/A ALA 622.A N PHE 640.A O no hydrogen 3.338 N/A ILE 624.A N LEU 642.A O no hydrogen 2.983 N/A THR 627.A OG1 PRO 625.A O no hydrogen 3.377 N/A THR 627.A OG1 GLY 629.A O no hydrogen 3.285 N/A SER 634.A N HIS 632.A O no hydrogen 2.670 N/A GLY 638.A N PRO 635.A O no hydrogen 3.104 N/A PHE 640.A N ILE 620.A O no hydrogen 2.861 N/A LEU 642.A N ALA 622.A O no hydrogen 3.110 N/A LYS 643.A N GLU 419.A OE2 no hydrogen 3.360 N/A GLN 648.A NE2 PRO 354.A O no hydrogen 3.140 N/A LEU 650.A N PHE 346.A O no hydrogen 3.053 N/A ILE 651.A N GLY 283.A O no hydrogen 2.614 N/A LYS 652.A N GLN 344.A O no hydrogen 3.089 N/A LYS 652.A NZ ASN 653.A O no hydrogen 3.456 N/A ASN 653.A ND2 SER 677.A OG no hydrogen 2.744 N/A THR 654.A OG1 THR 342.A O no hydrogen 2.921 N/A THR 654.A OG1 THR 342.A OG1 no hydrogen 2.406 N/A ALA 658.A N SER 671.A O no hydrogen 2.757 N/A ILE 673.A N VAL 656.A O no hydrogen 3.138 N/A TYR 676.A N LYS 324.A O no hydrogen 3.040 N/A SER 677.A N LEU 250.A O no hydrogen 3.274 N/A THR 678.A N GLN 322.A O no hydrogen 2.974 N/A THR 678.A OG1 TRP 248.A O no hydrogen 2.694 N/A GLY 679.A N TRP 248.A O no hydrogen 3.425 N/A GLN 680.A N PHE 319.A O no hydrogen 3.185 N/A VAL 681.A N ARG 246.A O no hydrogen 3.247 N/A SER 682.A N LYS 317.A O no hydrogen 2.951 N/A VAL 683.A N SER 244.A O no hydrogen 3.080 N/A GLU 684.A N SER 315.A O no hydrogen 3.491 N/A ILE 685.A N THR 242.A O no hydrogen 3.085 N/A GLU 686.A N ARG 313.A O no hydrogen 2.994 N/A TRP 687.A N VAL 240.A O no hydrogen 2.856 N/A GLU 688.A N ARG 310.A O no hydrogen 2.823 N/A LEU 689.A N ASP 238.A O no hydrogen 3.324 N/A GLN 690.A N GLY 308.A O no hydrogen 3.039 N/A SER 694.A OG GLU 692.A OE2 no hydrogen 2.405 N/A ARG 696.A NE ASN 698.A OD1 no hydrogen 2.837 N/A GLN 702.A NE2 ILE 701.A O no hydrogen 3.369 N/A TYR 703.A N ASN 304.A OD1 no hydrogen 3.184 N/A THR 704.A OG1 SER 705.A O no hydrogen 2.908 N/A SER 710.A OG SER 712.A O no hydrogen 2.888 N/A SER 712.A N SER 710.A OG no hydrogen 3.244 N/A ASN 718.A N VAL 722.A O no hydrogen 3.294 N/A THR 731.A OG1 ASP 613.A OD1 no hydrogen 3.359 N/A THR 731.A OG1 ASP 613.A OD2 no hydrogen 3.505 N/A THR 731.A OG1 VAL 614.A O no hydrogen 2.899 N/A ARG 732.A NE SER 425.A O no hydrogen 3.076 N/A ARG 732.A NH1 ASN 611.A O no hydrogen 3.035 N/A ARG 732.A NH2 SER 425.A OG no hydrogen 3.185 N/A ARG 732.A NH2 ASN 611.A O no hydrogen 2.822 N/A THR 735.A OG1 GLU 700.A OE2 no hydrogen 3.150 N/A ARG 736.A N ALA 428.A O no hydrogen 3.269 N/A