Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7dgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 15.A O no hydrogen 2.968 N/A VAL 6.A N VAL 13.A O no hydrogen 3.071 N/A PHE 7.A N TRP 72.A O no hydrogen 3.479 N/A VAL 8.A N GLN 11.A O no hydrogen 2.900 N/A ASP 9.A N ILE 74.A O no hydrogen 2.914 N/A VAL 13.A N VAL 6.A O no hydrogen 3.282 N/A VAL 15.A N ILE 4.A O no hydrogen 2.893 N/A THR 19.A N GLU 16.A O no hydrogen 3.101 N/A THR 19.A OG1 GLU 16.A O no hydrogen 3.393 N/A LEU 22.A N ALA 63.A O no hydrogen 3.222 N/A ALA 24.A N THR 20.A O no hydrogen 3.134 N/A CYS 25.A N VAL 21.A O no hydrogen 2.741 N/A CYS 25.A SG CYS 25.A O no hydrogen 2.915 N/A GLU 26.A N LEU 22.A O no hydrogen 3.162 N/A LYS 27.A N ALA 24.A O no hydrogen 2.594 N/A GLY 29.A N GLU 26.A O no hydrogen 2.988 N/A MET 30.A N CYS 25.A O no hydrogen 3.362 N/A ARG 34.A NH2 GLU 26.A OE2 no hydrogen 2.840 N/A CYS 36.A SG ASN 46.A OD1 no hydrogen 3.212 N/A CYS 36.A SG CYS 151.A O no hydrogen 3.299 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.481 N/A ASN 46.A N ASN 46.A OD1 no hydrogen 2.352 N/A ASN 46.A ND2 CYS 151.A O no hydrogen 3.219 N/A ARG 48.A NE GLY 45.A O no hydrogen 3.197 N/A CYS 50.A SG CYS 50.A O no hydrogen 2.856 N/A ILE 74.A N PHE 7.A O no hydrogen 2.838 N/A LEU 75.A N GLU 53.A O no hydrogen 3.371 N/A LYS 80.A N SER 78.A OG no hydrogen 2.827 N/A LYS 80.A NZ PRO 58.A O no hydrogen 2.721 N/A THR 81.A OG1 LEU 51.A O no hydrogen 3.564 N/A THR 81.A OG1 THR 76.A O no hydrogen 3.383 N/A LYS 83.A N LYS 80.A O no hydrogen 2.822 N/A LYS 83.A NZ GLU 79.A O no hydrogen 3.345 N/A ALA 84.A N THR 81.A O no hydrogen 2.578 N/A ARG 85.A N THR 81.A O no hydrogen 3.314 N/A GLY 87.A N ALA 84.A O no hydrogen 2.226 N/A VAL 88.A N ALA 84.A O no hydrogen 2.921 N/A PHE 91.A N VAL 88.A O no hydrogen 2.371 N/A LEU 92.A N VAL 88.A O no hydrogen 3.357 N/A ALA 94.A N PHE 91.A O no hydrogen 2.667 N/A ASP 99.A N PRO 97.A O no hydrogen 2.521 N/A CYS 100.A SG GLN 112.A OE1 no hydrogen 3.501 N/A CYS 103.A SG GLY 201.A O no hydrogen 3.937 N/A GLU 108.A N GLN 105.A O no hydrogen 2.874 N/A CYS 109.A SG PRO 199.A O no hydrogen 3.449 N/A GLN 112.A N CYS 109.A O no hydrogen 3.308 N/A GLN 112.A NE2 GLY 106.A O no hydrogen 3.498 N/A ASP 113.A N CYS 109.A O no hydrogen 3.155 N/A SER 115.A OG SER 115.A O no hydrogen 2.187 N/A MET 116.A N GLN 112.A O no hydrogen 3.303 N/A PHE 118.A N GLN 114.A O no hydrogen 2.687 N/A ASN 136.A ND2 GLY 138.A O no hydrogen 3.164 N/A LYS 142.A N THR 204.A O no hydrogen 2.918 N/A ILE 144.A N ALA 202.A O no hydrogen 3.376 N/A CYS 148.A SG MET 145.A O no hydrogen 3.525 N/A ARG 153.A NH2 PHE 35.A O no hydrogen 2.217 N/A ARG 156.A NE THR 152.A O no hydrogen 2.565 N/A ARG 156.A NH1 CYS 36.A O no hydrogen 3.416 N/A ARG 156.A NH2 CYS 36.A O no hydrogen 3.195 N/A ARG 156.A NH2 THR 152.A O no hydrogen 3.135 N/A GLU 160.A N ARG 156.A O no hydrogen 3.287 N/A THR 170.A OG1 THR 170.A O no hydrogen 2.371 N/A ARG 172.A N ASP 175.A O no hydrogen 3.137 N/A GLN 177.A N THR 170.A O no hydrogen 3.235 N/A THR 180.A OG1 ASP 166.A OD2 no hydrogen 2.608 N/A LYS 184.A NZ MET 185.A O no hydrogen 3.257 N/A SER 188.A OG MET 187.A O no hydrogen 2.430 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.201 N/A ASN 193.A N LEU 190.A O no hydrogen 3.096 N/A ILE 197.A N ILE 194.A O no hydrogen 2.365 N/A CYS 198.A SG VAL 200.A O no hydrogen 3.285 N/A THR 204.A N LYS 142.A O no hydrogen 3.192 N/A ALA 209.A N LYS 206.A O no hydrogen 3.051 N/A THR 211.A OG1 TYR 208.A O no hydrogen 3.187 N/A ARG 213.A NH1 PRO 101.A O no hydrogen 2.651 N/A ARG 213.A NH2 PRO 101.A O no hydrogen 2.645 N/A GLU 216.A N ARG 213.A O no hydrogen 3.305 N/A THR 220.A OG1 THR 220.A O no hydrogen 2.282 N/A SER 222.A OG ILE 223.A O no hydrogen 3.320 N/A SER 236.A OG VAL 235.A O no hydrogen 2.473 N/A SER 236.A OG ARG 244.A O no hydrogen 3.043 N/A THR 237.A OG1 GLU 241.A O no hydrogen 3.473 N/A MET 243.A N SER 236.A O no hydrogen 3.444 N/A ARG 248.A N ASN 232.A O no hydrogen 2.680 N/A ASP 252.A N HIS 250.A ND1 no hydrogen 3.156 N/A ASN 254.A ND2 SER 231.A OG no hydrogen 2.551 N/A THR 262.A OG1 SER 259.A O no hydrogen 3.557 N/A ARG 263.A N ASP 260.A O no hydrogen 2.846 N/A PHE 264.A N ASP 260.A O no hydrogen 3.374 N/A LEU 269.A N TYR 266.A O no hydrogen 3.274 N/A LEU 274.A N HIS 543.A O no hydrogen 3.265 N/A VAL 279.A N THR 287.A O no hydrogen 2.419 N/A ARG 280.A NH1 ARG 280.A O no hydrogen 2.151 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.531 N/A LYS 283.A NZ GLU 282.A OE2 no hydrogen 1.854 N/A THR 289.A N PRO 277.A O no hydrogen 3.472 N/A THR 289.A OG1 ASP 293.A OD2 no hydrogen 2.805 N/A ASP 293.A N THR 290.A O no hydrogen 2.672 N/A ALA 299.A N LEU 295.A O no hydrogen 3.161 N/A GLY 300.A N SER 296.A O no hydrogen 3.163 N/A LEU 302.A N ALA 299.A O no hydrogen 3.076 N/A GLN 303.A N GLY 300.A O no hydrogen 2.436 N/A SER 304.A N GLY 300.A O no hydrogen 3.294 N/A GLN 306.A N ASP 309.A OD2 no hydrogen 3.019 N/A VAL 310.A N GLY 307.A O no hydrogen 3.363 N/A ALA 311.A N MET 516.A O no hydrogen 3.164 N/A ILE 313.A N PHE 518.A O no hydrogen 3.178 N/A ALA 320.A N THR 567.A O no hydrogen 3.155 N/A ALA 322.A N ASP 319.A OD1 no hydrogen 3.335 N/A ASP 328.A N ILE 324.A O no hydrogen 2.782 N/A LEU 329.A N ALA 325.A O no hydrogen 3.335 N/A LEU 330.A N LEU 326.A O no hydrogen 3.176 N/A ASN 331.A N LYS 327.A O no hydrogen 2.761 N/A ARG 332.A N LEU 329.A O no hydrogen 2.900 N/A SER 335.A N LEU 330.A O no hydrogen 3.415 N/A SER 335.A OG GLY 307.A O no hydrogen 2.524 N/A THR 337.A OG1 THR 337.A O no hydrogen 2.533 N/A CYS 339.A SG THR 340.A O no hydrogen 3.135 N/A CYS 339.A SG THR 340.A OG1 no hydrogen 3.475 N/A CYS 339.A SG LYS 503.A O no hydrogen 2.790 N/A CYS 339.A SG GLY 505.A O no hydrogen 2.863 N/A THR 346.A OG1 ALA 349.A O no hydrogen 2.234 N/A ARG 354.A N ASP 352.A O no hydrogen 2.463 N/A SER 355.A OG LEU 353.A O no hydrogen 2.582 N/A SER 355.A OG ASN 635.A O no hydrogen 2.998 N/A SER 355.A OG TYR 636.A O no hydrogen 2.766 N/A TYR 357.A N ARG 354.A O no hydrogen 2.166 N/A LEU 359.A N THR 571.A O no hydrogen 3.002 N/A ASN 360.A ND2 SER 355.A O no hydrogen 3.169 N/A ILE 363.A N GLU 572.A OE2 no hydrogen 2.811 N/A GLY 365.A N THR 362.A O no hydrogen 2.920 N/A VAL 366.A N ILE 363.A O no hydrogen 3.038 N/A GLU 368.A N GLY 365.A O no hydrogen 2.855 N/A ALA 369.A N VAL 366.A O no hydrogen 2.882 N/A VAL 371.A N ASP 370.A OD1 no hydrogen 2.518 N/A LEU 373.A N MET 445.A O no hydrogen 3.053 N/A LEU 374.A N ALA 402.A O no hydrogen 3.074 N/A VAL 375.A N ILE 447.A O no hydrogen 3.094 N/A GLY 376.A N ILE 404.A O no hydrogen 3.387 N/A THR 377.A OG1 GLU 382.A OE2 no hydrogen 2.304 N/A ARG 380.A N ASN 378.A OD1 no hydrogen 3.367 N/A ARG 380.A NE GLU 189.A OE2 no hydrogen 2.213 N/A PHE 381.A N ASN 378.A O no hydrogen 3.276 N/A PHE 386.A N ALA 383.A O no hydrogen 3.015 N/A ARG 389.A NH1 ASP 252.A O no hydrogen 2.867 N/A ARG 389.A NH2 ASP 252.A O no hydrogen 2.400 N/A ILE 390.A N ASN 387.A O no hydrogen 2.429 N/A ARG 391.A N ASN 387.A O no hydrogen 3.185 N/A ARG 391.A NE ILE 161.A O no hydrogen 3.323 N/A LYS 392.A N ALA 388.A O no hydrogen 3.185 N/A TRP 394.A N ILE 390.A O no hydrogen 2.299 N/A LEU 395.A N ARG 391.A O no hydrogen 2.964 N/A ASN 397.A N LEU 395.A O no hydrogen 2.442 N/A LYS 400.A N ASP 370.A O no hydrogen 3.398 N/A LEU 403.A N ASP 415.A O no hydrogen 3.431 N/A GLY 405.A N HIS 416.A NE2 no hydrogen 3.345 N/A SER 406.A OG GLY 405.A O no hydrogen 2.673 N/A SER 406.A OG SER 406.A O no hydrogen 2.345 N/A TYR 414.A OH VAL 408.A O no hydrogen 2.336 N/A LEU 417.A N LEU 403.A O no hydrogen 3.071 N/A ALA 428.A N GLN 425.A O no hydrogen 2.882 N/A SER 431.A OG ASP 426.A O no hydrogen 2.539 N/A SER 431.A OG HIS 432.A ND1 no hydrogen 3.030 N/A VAL 437.A N PHE 434.A O no hydrogen 2.106 N/A GLU 440.A N GLN 436.A O no hydrogen 2.255 N/A LYS 443.A N ASP 370.A OD1 no hydrogen 3.056 N/A LYS 443.A N ASP 370.A OD2 no hydrogen 2.613 N/A ILE 447.A N LEU 373.A O no hydrogen 3.166 N/A LEU 448.A N ASN 486.A O no hydrogen 3.455 N/A ARG 455.A N ALA 452.A O no hydrogen 3.222 N/A ARG 455.A NE ASP 457.A OD1 no hydrogen 3.315 N/A ARG 455.A NH2 ASP 654.A OD2 no hydrogen 3.552 N/A ALA 460.A N ASP 457.A O no hydrogen 2.738 N/A LEU 462.A N GLY 458.A O no hydrogen 3.240 N/A ALA 464.A N ALA 460.A O no hydrogen 2.471 N/A VAL 465.A N ILE 461.A O no hydrogen 2.827 N/A SER 466.A N LEU 462.A O no hydrogen 3.198 N/A ALA 469.A N VAL 465.A O no hydrogen 3.187 N/A GLN 470.A N SER 466.A O no hydrogen 2.709 N/A LYS 471.A N ASN 467.A O no hydrogen 2.328 N/A LYS 471.A NZ ALA 428.A O no hydrogen 2.397 N/A ILE 472.A N ILE 468.A O no hydrogen 3.107 N/A ARG 473.A N ALA 469.A O no hydrogen 2.835 N/A THR 474.A N GLN 470.A O no hydrogen 2.856 N/A SER 475.A N ILE 472.A O no hydrogen 2.851 N/A SER 475.A OG LYS 471.A O no hydrogen 3.410 N/A TRP 482.A NE1 PRO 444.A O no hydrogen 3.233 N/A LYS 483.A NZ ALA 634.A O no hydrogen 2.442 N/A ASN 486.A N VAL 446.A O no hydrogen 3.413 N/A LEU 488.A N LEU 448.A O no hydrogen 3.009 N/A HIS 489.A NE2 TYR 357.A O no hydrogen 3.166 N/A SER 493.A OG GLY 316.A O no hydrogen 2.619 N/A SER 493.A OG VAL 318.A O no hydrogen 2.941 N/A LEU 498.A N GLN 494.A O no hydrogen 2.554 N/A ASP 499.A N VAL 495.A O no hydrogen 3.403 N/A LEU 500.A N ALA 496.A O no hydrogen 3.348 N/A GLY 501.A N LEU 498.A O no hydrogen 2.362 N/A TYR 502.A N LEU 498.A O no hydrogen 3.103 N/A LYS 511.A N GLU 507.A O no hydrogen 3.038 N/A MET 516.A N ASP 309.A O no hydrogen 3.220 N/A LEU 519.A N VAL 539.A O no hydrogen 3.238 N/A LEU 520.A N ILE 313.A O no hydrogen 3.239 N/A CYS 526.A SG GLU 341.A OE2 no hydrogen 2.866 N/A ASP 531.A N THR 528.A OG1 no hydrogen 3.162 N/A VAL 539.A N LEU 517.A O no hydrogen 2.832 N/A TYR 540.A OH HIS 544.A O no hydrogen 2.803 N/A GLN 541.A N LEU 519.A O no hydrogen 2.998 N/A GLN 541.A NE2 ASP 591.A OD1 no hydrogen 3.129 N/A GLY 542.A N LEU 556.A O no hydrogen 3.087 N/A HIS 544.A ND1 SER 671.A OG no hydrogen 3.191 N/A ASP 553.A N ILE 538.A O no hydrogen 2.707 N/A LEU 556.A N TYR 540.A O no hydrogen 2.981 N/A ALA 560.A N GLU 563.A OE1 no hydrogen 3.140 N/A THR 562.A OG1 GLU 563.A OE1 no hydrogen 2.838 N/A LYS 564.A NZ TYR 568.A OH no hydrogen 3.156 N/A TYR 568.A N GLN 576.A O no hydrogen 3.089 N/A TYR 568.A OH LEU 317.A O no hydrogen 3.130 N/A THR 571.A OG1 THR 571.A O no hydrogen 2.464 N/A GLY 573.A N ASN 570.A O no hydrogen 2.659 N/A ARG 574.A N ASN 570.A OD1 no hydrogen 3.154 N/A GLN 576.A N TYR 568.A O no hydrogen 3.425 N/A THR 578.A OG1 LYS 564.A O no hydrogen 3.286 N/A LYS 579.A NZ GLN 577.A O no hydrogen 3.552 N/A LEU 587.A N THR 275.A O no hydrogen 3.001 N/A ALA 588.A N PRO 585.A O no hydrogen 3.354 N/A ARG 589.A NH1 ALA 588.A O no hydrogen 3.511 N/A ILE 594.A N ASP 591.A O no hydrogen 2.710 N/A ILE 595.A N ASP 591.A O no hydrogen 3.293 N/A ARG 596.A NH1 LEU 606.A O no hydrogen 2.296 N/A LEU 598.A N ILE 595.A O no hydrogen 2.619 N/A SER 599.A N ILE 595.A O no hydrogen 2.827 N/A SER 599.A OG MET 604.A O no hydrogen 2.063 N/A GLU 600.A N ARG 596.A O no hydrogen 3.055 N/A ALA 602.A N LEU 598.A O no hydrogen 3.394 N/A ASP 609.A N GLN 613.A OE1 no hydrogen 3.117 N/A VAL 614.A N LEU 611.A O no hydrogen 2.280 N/A ARG 615.A N LEU 611.A O no hydrogen 3.205 N/A ARG 615.A NE GLU 321.A OE2 no hydrogen 2.681 N/A ARG 615.A NH1 GLN 577.A OE1 no hydrogen 2.849 N/A ARG 615.A NH2 GLN 577.A OE1 no hydrogen 3.376 N/A ASN 616.A N ASP 612.A O no hydrogen 3.266 N/A ASN 616.A ND2 GLU 619.A OE1 no hydrogen 3.538 N/A ARG 617.A NE ASP 328.A OD2 no hydrogen 2.438 N/A ARG 617.A NH1 GLU 620.A OE1 no hydrogen 3.014 N/A ARG 617.A NH2 ASP 328.A OD1 no hydrogen 2.801 N/A ARG 617.A NH2 ASP 328.A OD2 no hydrogen 2.683 N/A LEU 618.A N VAL 614.A O no hydrogen 2.808 N/A GLU 619.A N ASN 616.A O no hydrogen 2.881 N/A GLU 620.A N ASN 616.A O no hydrogen 2.900 N/A VAL 621.A N ARG 617.A O no hydrogen 3.161 N/A SER 622.A N LEU 618.A O no hydrogen 3.054 N/A SER 622.A OG ASN 624.A OD1 no hydrogen 2.810 N/A ARG 627.A N ASN 624.A O no hydrogen 3.285 N/A ARG 627.A NH2 ASP 630.A OD2 no hydrogen 3.377 N/A GLN 639.A N GLN 639.A OE1 no hydrogen 2.542 N/A SER 641.A N GLN 638.A O no hydrogen 2.775 N/A SER 644.A N ALA 640.A O no hydrogen 3.351 N/A LYS 645.A N GLU 642.A O no hydrogen 2.902 N/A LYS 645.A NZ GLU 642.A OE1 no hydrogen 2.479 N/A LYS 645.A NZ GLU 642.A OE2 no hydrogen 3.397 N/A LEU 646.A N LEU 643.A O no hydrogen 3.297 N/A LEU 652.A N ASP 457.A OD2 no hydrogen 2.939 N/A LEU 656.A N ASP 419.A OD1 no hydrogen 2.817 N/A GLN 660.A N GLN 660.A OE1 no hydrogen 2.763 N/A PHE 666.A N ILE 663.A O no hydrogen 2.573 N/A SER 671.A OG HIS 544.A ND1 no hydrogen 3.191 N/A ARG 674.A NH1 ASP 670.A O no hydrogen 2.935 N/A ARG 674.A NH2 THR 669.A O no hydrogen 2.855 N/A ALA 675.A N ILE 672.A O no hydrogen 3.274 N/A SER 676.A N SER 673.A O no hydrogen 2.809 N/A SER 676.A OG SER 673.A O no hydrogen 2.401 N/A THR 678.A OG1 ASP 267.A OD2 no hydrogen 2.784 N/A ALA 680.A N SER 676.A O no hydrogen 3.299 N/A LYS 681.A N THR 678.A O no hydrogen 2.722 N/A CYS 682.A N THR 678.A O no hydrogen 2.986 N/A CYS 682.A SG THR 678.A O no hydrogen 3.609 N/A CYS 682.A SG MET 679.A O no hydrogen 3.499 N/A VAL 683.A N MET 679.A O no hydrogen 2.777 N/A VAL 686.A N VAL 683.A O no hydrogen 3.366 N/A THR 687.A OG1 LYS 684.A O no hydrogen 3.450 N/A