Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cdz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N VAL 58.A O no hydrogen 3.109 N/A TYR 5.A OH GLN 50.A O no hydrogen 3.422 N/A LEU 7.A N TYR 5.A O no hydrogen 2.776 N/A ALA 9.A N LYS 62.A O no hydrogen 3.060 N/A TRP 14.A NE1 GLY 196.A O no hydrogen 3.107 N/A THR 22.A OG1 VAL 10.A O no hydrogen 2.734 N/A LEU 23.A N VAL 10.A O no hydrogen 3.035 N/A THR 28.A OG1 THR 28.A O no hydrogen 2.415 N/A ASN 33.A ND2 ILE 34.A O no hydrogen 3.358 N/A ILE 49.A N ALA 148.A O no hydrogen 3.118 N/A ALA 51.A N LEU 150.A O no hydrogen 3.027 N/A VAL 53.A N CYS 152.A O no hydrogen 2.864 N/A ASP 55.A N GLU 52.A O no hydrogen 2.860 N/A VAL 57.A N TRP 111.A O no hydrogen 2.904 N/A VAL 58.A N ARG 3.A O no hydrogen 2.963 N/A LEU 61.A N HIS 107.A O no hydrogen 2.822 N/A MET 64.A N ALA 9.A O no hydrogen 3.144 N/A SER 70.A OG GLY 84.A O no hydrogen 3.386 N/A SER 70.A OG SER 133.A OG no hydrogen 3.335 N/A HIS 72.A N LEU 132.A O no hydrogen 3.282 N/A HIS 72.A ND1 HIS 134.A ND1 no hydrogen 2.998 N/A SER 77.A N GLN 112.A O no hydrogen 3.212 N/A SER 77.A OG GLN 112.A O no hydrogen 3.526 N/A SER 82.A N TRP 79.A O no hydrogen 2.735 N/A SER 82.A OG ALA 81.A O no hydrogen 3.270 N/A SER 82.A OG VAL 110.A O no hydrogen 3.382 N/A ALA 85.A N ASP 99.A OD2 no hydrogen 2.996 N/A TYR 87.A OH GLU 83.A OE2 no hydrogen 3.035 N/A ASP 89.A N TYR 87.A O no hydrogen 2.854 N/A THR 91.A N ASP 89.A O no hydrogen 2.568 N/A THR 91.A OG1 ASP 89.A OD1 no hydrogen 2.516 N/A SER 92.A N GLU 95.A OE1 no hydrogen 3.262 N/A SER 92.A OG GLU 95.A OE1 no hydrogen 3.480 N/A GLU 95.A N SER 92.A O no hydrogen 3.158 N/A LYS 96.A N GLN 93.A O no hydrogen 3.272 N/A LYS 96.A NZ TYR 87.A O no hydrogen 2.780 N/A LYS 96.A NZ THR 91.A OG1 no hydrogen 2.918 N/A ASP 99.A N LYS 96.A O no hydrogen 2.771 N/A HIS 107.A N LEU 61.A O no hydrogen 3.028 N/A TYR 109.A OH LEU 71.A O no hydrogen 3.421 N/A VAL 110.A N SER 82.A OG no hydrogen 2.935 N/A TRP 111.A N VAL 57.A O no hydrogen 3.165 N/A GLN 112.A N SER 77.A O no hydrogen 3.083 N/A VAL 113.A N ASP 55.A O no hydrogen 3.414 N/A ASN 117.A N LEU 114.A O no hydrogen 3.435 N/A GLY 118.A N LYS 115.A O no hydrogen 3.129 N/A CYS 126.A SG VAL 151.A O no hydrogen 3.678 N/A LEU 127.A N VAL 151.A O no hydrogen 3.003 N/A TYR 131.A N GLY 147.A O no hydrogen 2.793 N/A TYR 131.A OH PRO 47.A O no hydrogen 2.947 N/A LEU 132.A N HIS 72.A O no hydrogen 2.788 N/A SER 133.A OG SER 70.A O no hydrogen 2.773 N/A SER 133.A OG SER 70.A OG no hydrogen 3.335 N/A HIS 134.A ND1 HIS 72.A ND1 no hydrogen 2.998 N/A VAL 135.A N ASP 140.A OD2 no hydrogen 2.419 N/A LYS 139.A NZ HIS 67.A NE2 no hydrogen 2.989 N/A ASP 140.A N ASP 136.A O no hydrogen 2.831 N/A LEU 141.A N LEU 137.A O no hydrogen 3.333 N/A ASN 142.A N VAL 138.A O no hydrogen 3.188 N/A SER 143.A N LYS 139.A O no hydrogen 3.081 N/A LEU 145.A N ASP 140.A O no hydrogen 3.302 N/A GLY 147.A N TYR 131.A O no hydrogen 3.313 N/A LEU 149.A N TYR 129.A O no hydrogen 2.648 N/A LEU 150.A N ILE 49.A O no hydrogen 2.703 N/A CYS 152.A N ALA 51.A O no hydrogen 3.315 N/A SER 156.A N GLU 52.A OE1 no hydrogen 3.261 N/A GLU 160.A N SER 156.A O no hydrogen 2.672 N/A LYS 161.A NZ LEU 157.A O no hydrogen 3.527 N/A PHE 168.A N TYR 214.A O no hydrogen 3.066 N/A LEU 170.A N HIS 216.A O no hydrogen 3.237 N/A ASP 176.A N ASN 142.A OD1 no hydrogen 3.042 N/A GLY 178.A N ASP 176.A OD2 no hydrogen 3.193 N/A LYS 179.A N ASP 176.A O no hydrogen 2.597 N/A LYS 179.A NZ GLY 178.A O no hydrogen 3.275 N/A SER 180.A OG GLU 177.A OE1 no hydrogen 3.278 N/A LYS 190.A NZ ASP 176.A OD1 no hydrogen 2.684 N/A LYS 190.A NZ MET 191.A O no hydrogen 2.710 N/A ASN 195.A N LEU 171.A O no hydrogen 3.012 N/A ASN 195.A ND2 TRP 41.A O no hydrogen 2.580 N/A GLY 196.A N THR 193.A O no hydrogen 3.163 N/A TYR 197.A N VAL 194.A O no hydrogen 2.330 N/A ARG 200.A NE ASN 199.A OD1 no hydrogen 2.684 N/A SER 201.A N VAL 198.A O no hydrogen 2.442 N/A CYS 208.A SG SER 288.A O no hydrogen 3.698 N/A LYS 211.A NZ CYS 208.A O no hydrogen 3.169 N/A LYS 211.A NZ SER 212.A O no hydrogen 2.648 N/A VAL 213.A N THR 258.A O no hydrogen 2.925 N/A TYR 214.A N HIS 166.A O no hydrogen 2.762 N/A TRP 215.A N ALA 256.A O no hydrogen 2.859 N/A HIS 216.A N PHE 168.A O no hydrogen 3.017 N/A ILE 218.A N LEU 170.A O no hydrogen 3.188 N/A GLY 219.A N THR 252.A O no hydrogen 2.393 N/A HIS 227.A N ILE 248.A O no hydrogen 2.710 N/A ILE 229.A N LEU 246.A O no hydrogen 2.694 N/A LEU 237.A N GLN 257.A O no hydrogen 3.296 N/A VAL 238.A N ARG 239.A O no hydrogen 2.364 N/A ARG 242.A N ASP 442.A OD1 no hydrogen 2.873 N/A ARG 242.A NE ASN 240.A O no hydrogen 2.584 N/A SER 249.A N THR 252.A OG1 no hydrogen 3.150 N/A SER 249.A OG THR 252.A OG1 no hydrogen 3.056 N/A THR 252.A OG1 SER 249.A O no hydrogen 2.681 N/A THR 252.A OG1 SER 249.A OG no hydrogen 3.056 N/A THR 255.A OG1 HIS 216.A ND1 no hydrogen 3.381 N/A ALA 256.A N TRP 215.A O no hydrogen 3.261 N/A THR 258.A N VAL 213.A O no hydrogen 3.219 N/A THR 258.A OG1 VAL 213.A O no hydrogen 3.495 N/A CYS 270.A SG HIS 227.A ND1 no hydrogen 2.740 N/A SER 273.A OG GLN 562.A OE1 no hydrogen 3.398 N/A SER 274.A OG HIS 275.A ND1 no hydrogen 3.055 N/A GLN 276.A N ILE 272.A O no hydrogen 3.013 N/A LYS 285.A NZ GLY 204.A O no hydrogen 3.419 N/A SER 288.A OG ASP 287.A OD2 no hydrogen 3.465 N/A LYS 297.A N ASP 376.A OD2 no hydrogen 2.410 N/A LYS 297.A NZ GLU 373.A OE2 no hydrogen 3.317 N/A LYS 297.A NZ GLU 474.A O no hydrogen 3.416 N/A TRP 299.A N THR 377.A O no hydrogen 2.893 N/A HIS 301.A N LEU 379.A O no hydrogen 3.152 N/A ILE 303.A N ILE 381.A O no hydrogen 3.110 N/A ALA 304.A N MET 346.A O no hydrogen 2.613 N/A ALA 305.A N LYS 383.A O no hydrogen 2.873 N/A GLU 308.A N LYS 342.A O no hydrogen 2.879 N/A TRP 310.A N TYR 340.A O no hydrogen 2.507 N/A TYR 312.A N ARG 338.A O no hydrogen 3.038 N/A TYR 312.A OH GLU 498.A OE2 no hydrogen 2.978 N/A ALA 313.A N ASP 311.A OD1 no hydrogen 3.029 N/A ASP 320.A N SER 326.A OG no hydrogen 2.988 N/A ARG 322.A NH1 ARG 322.A O no hydrogen 3.238 N/A SER 323.A OG ARG 322.A O no hydrogen 2.711 N/A TYR 328.A N LYS 325.A O no hydrogen 3.146 N/A LEU 329.A N SER 528.A O no hydrogen 3.066 N/A GLY 332.A N ASN 330.A O no hydrogen 2.715 N/A ARG 338.A NH1 TYR 328.A O no hydrogen 2.452 N/A TYR 340.A N TRP 310.A O no hydrogen 2.876 N/A TYR 340.A OH ASN 529.A OD1 no hydrogen 2.691 N/A LYS 341.A N ASN 507.A OD1 no hydrogen 2.588 N/A LYS 341.A NZ ASP 309.A OD1 no hydrogen 3.542 N/A LYS 342.A NZ GLU 498.A OE1 no hydrogen 3.462 N/A LYS 342.A NZ GLU 498.A OE2 no hydrogen 2.725 N/A VAL 343.A N SER 462.A O no hydrogen 2.784 N/A ARG 344.A NE ILE 365.A O no hydrogen 3.450 N/A ARG 344.A NH2 GLY 364.A O no hydrogen 3.089 N/A MET 346.A N ALA 304.A O no hydrogen 2.689 N/A TYR 348.A N TYR 302.A O no hydrogen 2.582 N/A TYR 348.A OH GLU 306.A OE1 no hydrogen 2.977 N/A THR 349.A OG1 THR 355.A O no hydrogen 2.819 N/A LYS 354.A N THR 352.A O no hydrogen 2.480 N/A SER 363.A N GLN 360.A O no hydrogen 2.523 N/A SER 363.A OG GLN 360.A O no hydrogen 2.906 N/A ILE 365.A N ASN 535.A O no hydrogen 3.394 N/A LEU 366.A N SER 363.A O no hydrogen 2.652 N/A GLY 367.A N ILE 465.A O no hydrogen 2.598 N/A LEU 370.A N PRO 467.A O no hydrogen 2.754 N/A GLY 372.A N LEU 469.A O no hydrogen 3.129 N/A GLU 373.A N ASP 376.A OD1 no hydrogen 3.024 N/A VAL 374.A N CYS 471.A O no hydrogen 2.711 N/A GLY 375.A N VAL 432.A O no hydrogen 2.787 N/A ASP 376.A N GLU 373.A O no hydrogen 3.266 N/A LEU 378.A N TRP 430.A O no hydrogen 2.422 N/A LEU 379.A N TRP 299.A O no hydrogen 2.991 N/A ILE 380.A N TYR 428.A O no hydrogen 2.970 N/A ILE 381.A N HIS 301.A O no hydrogen 2.658 N/A PHE 382.A N PHE 426.A O no hydrogen 2.972 N/A LYS 383.A N ILE 303.A O no hydrogen 2.927 N/A GLN 385.A N ALA 305.A O no hydrogen 2.900 N/A ALA 386.A N ASN 384.A OD1 no hydrogen 2.710 N/A SER 387.A N GLU 307.A OE2 no hydrogen 3.133 N/A SER 387.A OG GLU 307.A OE2 no hydrogen 3.265 N/A ARG 388.A N SER 387.A OG no hydrogen 2.738 N/A TYR 390.A OH TYR 503.A OH no hydrogen 2.983 N/A ASN 391.A N SER 452.A OG no hydrogen 2.737 N/A TYR 393.A N SER 451.A O no hydrogen 3.365 N/A HIS 395.A N TYR 449.A O no hydrogen 3.023 N/A THR 398.A N ASP 436.A OD1 no hydrogen 3.196 N/A THR 398.A OG1 ASP 436.A OD1 no hydrogen 2.985 N/A ARG 401.A N LYS 429.A O no hydrogen 2.933 N/A ARG 401.A NH1 LEU 403.A O no hydrogen 3.147 N/A LEU 403.A N LYS 427.A O no hydrogen 2.725 N/A GLY 411.A N PRO 409.A O no hydrogen 2.185 N/A VAL 412.A N PRO 409.A O no hydrogen 3.443 N/A LEU 421.A N GLU 424.A OE2 no hydrogen 2.569 N/A GLY 423.A N ASN 384.A O no hydrogen 3.292 N/A PHE 426.A N PHE 382.A O no hydrogen 2.957 N/A TYR 428.A N ILE 380.A O no hydrogen 3.006 N/A LYS 429.A N ARG 401.A O no hydrogen 2.791 N/A TRP 430.A N LEU 378.A O no hydrogen 2.781 N/A THR 431.A N ASP 399.A O no hydrogen 3.116 N/A VAL 432.A N ASP 376.A O no hydrogen 2.896 N/A THR 433.A N ASP 436.A OD2 no hydrogen 3.048 N/A THR 433.A OG1 GLU 435.A OE1 no hydrogen 2.781 N/A THR 433.A OG1 ASP 436.A OD2 no hydrogen 3.206 N/A ASP 436.A N THR 433.A O no hydrogen 3.111 N/A GLY 437.A N VAL 434.A O no hydrogen 3.344 N/A THR 439.A OG1 ASP 442.A OD2 no hydrogen 2.602 N/A SER 441.A N THR 439.A OG1 no hydrogen 3.094 N/A SER 441.A OG ASN 240.A OD1 no hydrogen 3.194 N/A ARG 444.A NH2 GLU 474.A OE1 no hydrogen 3.401 N/A CYS 445.A SG ARG 444.A O no hydrogen 3.371 N/A THR 447.A OG1 THR 594.A OG1 no hydrogen 3.128 N/A ARG 448.A N LEU 468.A O no hydrogen 3.093 N/A ARG 448.A NE THR 447.A O no hydrogen 2.883 N/A TYR 450.A N GLY 466.A O no hydrogen 2.693 N/A TYR 450.A OH PRO 368.A O no hydrogen 2.512 N/A SER 451.A OG SER 452.A O no hydrogen 2.988 N/A SER 452.A OG ASN 391.A O no hydrogen 2.864 N/A SER 452.A OG ASN 391.A OD1 no hydrogen 2.851 N/A SER 452.A OG ASP 459.A OD2 no hydrogen 3.455 N/A PHE 453.A N ASN 391.A OD1 no hydrogen 2.795 N/A MET 456.A N ASN 455.A OD1 no hydrogen 2.771 N/A GLU 457.A N GLU 457.A OE1 no hydrogen 2.434 N/A ARG 458.A N GLU 457.A OE1 no hydrogen 3.027 N/A LEU 460.A N MET 456.A O no hydrogen 3.342 N/A ALA 461.A N GLU 457.A O no hydrogen 2.740 N/A SER 462.A N ASP 459.A O no hydrogen 2.683 N/A SER 462.A OG ASP 459.A O no hydrogen 3.118 N/A GLY 463.A N LEU 460.A O no hydrogen 2.555 N/A LEU 464.A N LEU 460.A O no hydrogen 3.160 N/A ILE 465.A N GLY 463.A O no hydrogen 2.874 N/A GLY 466.A N TYR 450.A O no hydrogen 3.134 N/A LEU 468.A N ARG 448.A O no hydrogen 3.052 N/A LEU 469.A N LEU 370.A O no hydrogen 2.717 N/A TYR 472.A N ARG 444.A O no hydrogen 2.819 N/A LYS 473.A NZ HIS 295.A O no hydrogen 2.876 N/A LYS 473.A NZ GLU 373.A OE1 no hydrogen 3.528 N/A GLU 474.A N GLU 373.A OE1 no hydrogen 3.461 N/A LYS 487.A NZ SER 485.A O no hydrogen 3.173 N/A ILE 491.A N TYR 555.A O no hydrogen 3.050 N/A LEU 492.A N ASN 535.A OD1 no hydrogen 2.747 N/A PHE 493.A N LEU 557.A O no hydrogen 2.932 N/A SER 494.A N SER 533.A O no hydrogen 2.819 N/A SER 494.A OG ILE 559.A O no hydrogen 2.896 N/A PHE 496.A N MET 531.A O no hydrogen 2.971 N/A ASN 499.A ND2 GLN 526.A O no hydrogen 2.554 N/A ARG 500.A N ASP 497.A O no hydrogen 2.698 N/A SER 501.A N GLU 498.A O no hydrogen 2.824 N/A SER 501.A OG GLU 498.A OE1 no hydrogen 3.086 N/A TRP 502.A N SER 462.A OG no hydrogen 2.880 N/A TYR 503.A N SER 501.A OG no hydrogen 3.416 N/A TYR 503.A OH GLU 307.A OE2 no hydrogen 2.905 N/A TYR 503.A OH TYR 390.A OH no hydrogen 2.983 N/A ASN 507.A N TYR 503.A O no hydrogen 3.156 N/A ASN 507.A ND2 LYS 341.A O no hydrogen 3.513 N/A ASN 507.A ND2 TYR 503.A O no hydrogen 2.623 N/A ILE 508.A N THR 505.A O no hydrogen 3.208 N/A GLN 509.A N THR 505.A O no hydrogen 3.471 N/A GLN 519.A N GLY 517.A O no hydrogen 2.747 N/A GLN 519.A NE2 ASN 331.A O no hydrogen 3.659 N/A PHE 525.A N ASP 522.A OD1 no hydrogen 2.663 N/A SER 528.A N PHE 525.A O no hydrogen 2.912 N/A SER 528.A OG GLN 327.A O no hydrogen 3.379 N/A ASN 529.A ND2 ASN 499.A OD1 no hydrogen 3.254 N/A MET 531.A N PHE 496.A O no hydrogen 2.795 N/A SER 533.A N SER 494.A O no hydrogen 2.905 N/A SER 533.A OG SER 494.A O no hydrogen 3.481 N/A ILE 534.A N TYR 537.A O no hydrogen 3.024 N/A ASN 535.A N LEU 492.A O no hydrogen 3.106 N/A ASN 535.A ND2 GLU 362.A O no hydrogen 3.425 N/A ASN 535.A ND2 VAL 490.A O no hydrogen 3.235 N/A TYR 537.A OH HIS 361.A O no hydrogen 2.827 N/A VAL 538.A N TYR 312.A O no hydrogen 3.146 N/A ASP 540.A N THR 620.A O no hydrogen 2.924 N/A SER 541.A N VAL 538.A O no hydrogen 2.657 N/A SER 541.A OG TYR 312.A O no hydrogen 3.335 N/A VAL 546.A N LYS 624.A O no hydrogen 3.375 N/A CYS 547.A N GLU 550.A OE1 no hydrogen 3.217 N/A HIS 549.A N MET 599.A O no hydrogen 2.527 N/A TRP 554.A N VAL 595.A O no hydrogen 3.236 N/A TYR 555.A N ASN 489.A O no hydrogen 3.290 N/A ILE 556.A N GLU 593.A O no hydrogen 3.179 N/A SER 558.A N SER 591.A O no hydrogen 3.152 N/A SER 558.A OG PHE 588.A O no hydrogen 3.085 N/A ILE 559.A N PHE 493.A O no hydrogen 3.073 N/A ALA 561.A N ILE 559.A O no hydrogen 2.788 N/A GLN 562.A NE2 GLY 560.A O no hydrogen 2.087 N/A THR 563.A OG1 GLN 562.A OE1 no hydrogen 3.308 N/A LEU 566.A N LEU 587.A O no hydrogen 2.602 N/A SER 567.A OG ASN 611.A OD1 no hydrogen 2.781 N/A VAL 568.A N LEU 585.A O no hydrogen 2.731 N/A PHE 569.A N GLY 608.A O no hydrogen 3.032 N/A PHE 575.A N GLU 582.A O no hydrogen 3.217 N/A LYS 576.A N PHE 596.A O no hydrogen 2.857 N/A VAL 580.A N HIS 577.A O no hydrogen 3.437 N/A GLU 582.A N PHE 575.A O no hydrogen 3.108 N/A THR 584.A OG1 ASP 583.A OD2 no hydrogen 2.672 N/A LEU 585.A N VAL 568.A O no hydrogen 3.483 N/A LEU 587.A N LEU 566.A O no hydrogen 2.706 N/A GLU 593.A N ILE 556.A O no hydrogen 3.166 N/A THR 594.A OG1 CYS 445.A O no hydrogen 2.967 N/A THR 594.A OG1 THR 447.A OG1 no hydrogen 3.128 N/A VAL 595.A N TRP 554.A O no hydrogen 3.013 N/A MET 599.A N GLU 550.A O no hydrogen 3.126 N/A ASN 601.A N TYR 573.A OH no hydrogen 2.625 N/A ASN 601.A ND2 GLY 572.A O no hydrogen 3.447 N/A TRP 605.A N LEU 623.A O no hydrogen 3.081 N/A TRP 605.A NE1 ASN 601.A O no hydrogen 2.525 N/A LEU 607.A N TRP 605.A O no hydrogen 3.039 N/A CYS 609.A SG ASN 611.A O no hydrogen 3.326 N/A HIS 610.A N SER 567.A O no hydrogen 2.768 N/A ARG 615.A NE SER 612.A OG no hydrogen 2.537 N/A ARG 617.A N ASN 616.A OD1 no hydrogen 2.834 N/A MET 619.A N HIS 532.A O no hydrogen 3.013 N/A THR 620.A OG1 ASP 540.A OD2 no hydrogen 2.786 N/A ALA 621.A N LEU 607.A O no hydrogen 3.085 N/A LEU 623.A N TRP 605.A O no hydrogen 2.991 N/A LYS 624.A N LEU 544.A O no hydrogen 3.317 N/A