Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8gwk_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N SER 9.A O no hydrogen 2.645 N/A CYS 4.A SG PHE 23.A O no hydrogen 3.291 N/A VAL 5.A N PHE 23.A O no hydrogen 3.253 N/A SER 9.A OG GLN 10.A OE1 no hydrogen 3.233 N/A SER 9.A OG THR 95.A O no hydrogen 2.900 N/A GLN 10.A N GLN 10.A OE1 no hydrogen 2.472 N/A THR 11.A N GLY 2.A O no hydrogen 3.052 N/A THR 11.A OG1 LEU 24.A O no hydrogen 2.897 N/A LEU 13.A N THR 11.A OG1 no hydrogen 3.329 N/A GLY 16.A N LEU 40.A O no hydrogen 2.418 N/A CYS 18.A SG HIS 32.A NE2 no hydrogen 3.682 N/A CYS 18.A SG HIS 38.A ND1 no hydrogen 2.512 N/A ARG 20.A NH1 GLU 135.A OE1 no hydrogen 2.896 N/A ARG 20.A NH2 VAL 227.A O no hydrogen 2.278 N/A ARG 21.A NH2 GLY 16.A O no hydrogen 2.760 N/A CYS 26.A SG LEU 91.A O no hydrogen 3.680 N/A CYS 26.A SG TYR 92.A O no hydrogen 3.108 N/A CYS 29.A N CYS 25.A O no hydrogen 2.212 N/A TYR 30.A N CYS 26.A O no hydrogen 2.889 N/A ASP 31.A N LYS 27.A O no hydrogen 2.951 N/A HIS 32.A N CYS 28.A O no hydrogen 3.046 N/A VAL 33.A N CYS 29.A O no hydrogen 2.771 N/A VAL 33.A N TYR 30.A O no hydrogen 3.271 N/A ILE 34.A N TYR 30.A O no hydrogen 3.021 N/A THR 36.A OG1 HIS 32.A O no hydrogen 2.586 N/A HIS 38.A NE2 ALA 109.A O no hydrogen 3.355 N/A LYS 39.A NZ THR 36.A O no hydrogen 2.970 N/A LEU 42.A N ARG 14.A O no hydrogen 2.778 N/A SER 43.A N ASN 45.A O no hydrogen 2.983 N/A TYR 47.A OH PHE 89.A O no hydrogen 2.889 N/A VAL 48.A N PRO 46.A O no hydrogen 2.832 N/A THR 57.A OG1 THR 57.A O no hydrogen 2.294 N/A TYR 63.A N TYR 70.A O no hydrogen 3.158 N/A LEU 64.A N PHE 80.A O no hydrogen 3.265 N/A GLY 65.A N SER 68.A O no hydrogen 3.233 N/A SER 68.A N GLY 66.A O no hydrogen 2.522 N/A SER 68.A OG MET 67.A O no hydrogen 2.371 N/A TYR 70.A N TYR 63.A O no hydrogen 2.376 N/A LYS 72.A N GLN 61.A OE1 no hydrogen 2.597 N/A LYS 72.A NZ LYS 72.A O no hydrogen 2.489 N/A HIS 74.A N CYS 71.A O no hydrogen 3.167 N/A LYS 75.A NZ PRO 77.A O no hydrogen 3.531 N/A SER 79.A OG PRO 76.A O no hydrogen 2.716 N/A SER 79.A OG PRO 77.A O no hydrogen 3.282 N/A PHE 80.A N LEU 64.A O no hydrogen 3.191 N/A LEU 82.A N LEU 62.A O no hydrogen 3.265 N/A CYS 83.A SG VAL 59.A O no hydrogen 3.206 N/A GLN 87.A N ALA 84.A O no hydrogen 2.682 N/A PHE 89.A N LEU 82.A O no hydrogen 3.178 N/A LYS 93.A NZ GLN 87.A OE1 no hydrogen 3.405 N/A SER 99.A OG GLY 98.A O no hydrogen 2.544 N/A ASN 106.A N VAL 102.A O no hydrogen 2.535 N/A ALA 107.A N THR 103.A O no hydrogen 2.831 N/A ILE 108.A N ASP 104.A O no hydrogen 2.978 N/A ALA 109.A N PHE 105.A O no hydrogen 2.876 N/A THR 110.A N ASN 106.A O no hydrogen 2.951 N/A CYS 111.A N ILE 108.A O no hydrogen 3.203 N/A CYS 111.A SG ALA 107.A O no hydrogen 3.026 N/A THR 114.A N ASP 118.A OD2 no hydrogen 2.681 N/A THR 114.A OG1 ASN 115.A OD1 no hydrogen 3.406 N/A THR 114.A OG1 THR 405.A OG1 no hydrogen 3.377 N/A TYR 119.A OH PHE 414.A O no hydrogen 3.048 N/A ILE 120.A N ALA 116.A O no hydrogen 2.875 N/A LEU 121.A N GLY 117.A O no hydrogen 2.862 N/A ALA 122.A N ASP 118.A O no hydrogen 2.883 N/A ASN 123.A N TYR 119.A O no hydrogen 2.800 N/A ASN 123.A N ILE 120.A O no hydrogen 3.001 N/A THR 124.A N LEU 121.A O no hydrogen 3.360 N/A THR 124.A OG1 ILE 120.A O no hydrogen 2.698 N/A THR 124.A OG1 LEU 121.A O no hydrogen 3.191 N/A ARG 128.A NH1 CYS 4.A O no hydrogen 2.598 N/A ARG 128.A NH2 CYS 4.A O no hydrogen 2.574 N/A LYS 130.A N THR 126.A O no hydrogen 3.020 N/A LYS 130.A NZ ALA 122.A O no hydrogen 2.720 N/A LYS 130.A NZ CYS 125.A O no hydrogen 2.909 N/A LEU 131.A N GLU 127.A O no hydrogen 2.978 N/A PHE 132.A N ARG 128.A O no hydrogen 2.949 N/A ALA 133.A N LEU 129.A O no hydrogen 2.861 N/A ALA 134.A N LYS 130.A O no hydrogen 2.899 N/A GLU 135.A N LEU 131.A O no hydrogen 2.979 N/A THR 136.A N PHE 132.A O no hydrogen 2.948 N/A THR 136.A OG1 ALA 133.A O no hydrogen 2.902 N/A LEU 137.A N ALA 133.A O no hydrogen 2.859 N/A LYS 138.A N ALA 134.A O no hydrogen 2.982 N/A LYS 138.A NZ ALA 134.A O no hydrogen 3.089 N/A ALA 139.A N GLU 135.A O no hydrogen 2.926 N/A THR 140.A N THR 136.A O no hydrogen 2.855 N/A GLU 141.A N LEU 137.A O no hydrogen 2.902 N/A GLU 142.A N LYS 138.A O no hydrogen 2.919 N/A THR 143.A N ALA 139.A O no hydrogen 2.914 N/A THR 143.A OG1 ALA 139.A O no hydrogen 3.139 N/A PHE 144.A N THR 140.A O no hydrogen 2.836 N/A LYS 145.A N GLU 141.A O no hydrogen 2.968 N/A LYS 145.A NZ LEU 222.A O no hydrogen 3.546 N/A LYS 145.A NZ THR 223.A O no hydrogen 3.143 N/A LEU 146.A N GLU 142.A O no hydrogen 3.439 N/A SER 147.A OG THR 143.A O no hydrogen 2.714 N/A TYR 148.A N LYS 145.A O no hydrogen 2.903 N/A ILE 150.A N GLU 167.A OE1 no hydrogen 3.220 N/A ALA 151.A N PHE 220.A O no hydrogen 2.525 N/A ARG 154.A N HIS 163.A O no hydrogen 3.336 N/A LEU 157.A N GLU 161.A O no hydrogen 3.137 N/A GLU 161.A N SER 158.A O no hydrogen 2.905 N/A HIS 163.A N GLU 155.A O no hydrogen 2.715 N/A HIS 163.A ND1 GLU 155.A OE1 no hydrogen 2.620 N/A TYR 179.A N ASN 176.A O no hydrogen 3.301 N/A PHE 181.A N TYR 197.A O no hydrogen 3.091 N/A THR 182.A N VAL 221.A O no hydrogen 2.443 N/A THR 182.A OG1 PHE 181.A O no hydrogen 2.643 N/A GLY 183.A N GLY 195.A O no hydrogen 2.438 N/A ARG 185.A N VAL 192.A O no hydrogen 2.772 N/A THR 187.A N SER 190.A O no hydrogen 2.830 N/A SER 190.A OG ASN 189.A O no hydrogen 2.895 N/A GLN 193.A NE2 ILE 194.A O no hydrogen 3.400 N/A GLU 200.A N VAL 205.A O no hydrogen 2.695 N/A LYS 201.A NZ ALA 512.A O no hydrogen 2.802 N/A VAL 204.A N LEU 162.A O no hydrogen 2.629 N/A VAL 205.A N GLU 200.A O no hydrogen 3.316 N/A PHE 220.A N ALA 151.A O no hydrogen 2.773 N/A VAL 221.A N THR 182.A O no hydrogen 3.447 N/A SER 224.A OG GLU 142.A OE1 no hydrogen 2.553 N/A SER 224.A OG HIS 225.A O no hydrogen 3.049 N/A THR 245.A OG1 ARG 243.A O no hydrogen 3.078 N/A PHE 257.A N SER 254.A O no hydrogen 2.932 N/A ASN 260.A N PHE 257.A O no hydrogen 2.917 N/A ASN 260.A ND2 HIS 285.A O no hydrogen 3.674 N/A VAL 261.A N PHE 257.A O no hydrogen 3.041 N/A ASN 263.A N ASN 260.A O no hydrogen 3.161 N/A ASN 263.A ND2 PHE 429.A O no hydrogen 3.302 N/A TYR 264.A N ASN 260.A O no hydrogen 2.909 N/A TYR 264.A N VAL 261.A O no hydrogen 3.046 N/A GLN 265.A N VAL 261.A O no hydrogen 3.443 N/A VAL 267.A N ASN 263.A O no hydrogen 3.422 N/A GLY 268.A N GLN 265.A O no hydrogen 2.829 N/A MET 269.A N GLN 265.A O no hydrogen 2.821 N/A TYR 272.A N GLN 270.A OE1 no hydrogen 3.258 N/A THR 281.A OG1 THR 281.A O no hydrogen 2.510 N/A THR 281.A OG1 LEU 430.A O no hydrogen 3.230 N/A THR 281.A OG1 THR 432.A O no hydrogen 3.145 N/A PHE 286.A N GLY 282.A O no hydrogen 2.442 N/A ALA 287.A N LYS 283.A O no hydrogen 2.443 N/A ILE 288.A N SER 284.A O no hydrogen 2.651 N/A LEU 290.A N PHE 286.A O no hydrogen 3.104 N/A LEU 292.A N ILE 288.A O no hydrogen 3.299 N/A TYR 293.A N GLY 289.A O no hydrogen 2.522 N/A TYR 294.A N LEU 290.A O no hydrogen 2.609 N/A TYR 294.A OH GLN 265.A OE1 no hydrogen 3.429 N/A ALA 297.A N TYR 294.A O no hydrogen 3.413 N/A ARG 298.A N ASP 361.A OD2 no hydrogen 3.527 N/A VAL 300.A N ILE 362.A O no hydrogen 2.731 N/A TYR 301.A N VAL 348.A O no hydrogen 2.533 N/A THR 302.A N VAL 364.A O no hydrogen 3.036 N/A THR 302.A OG1 VAL 300.A O no hydrogen 3.385 N/A HIS 306.A ND1 ASP 310.A OD1 no hydrogen 2.689 N/A ALA 307.A N SER 305.A OG no hydrogen 3.110 N/A ALA 308.A N SER 305.A O no hydrogen 3.172 N/A ASP 310.A N HIS 306.A O no hydrogen 2.503 N/A ALA 311.A N ALA 308.A O no hydrogen 3.092 N/A LEU 312.A N ALA 308.A O no hydrogen 3.224 N/A CYS 313.A N VAL 309.A O no hydrogen 2.346 N/A GLU 314.A N ASP 310.A O no hydrogen 2.731 N/A LYS 315.A N ALA 311.A O no hydrogen 3.116 N/A LYS 315.A NZ SER 284.A OG no hydrogen 2.822 N/A LYS 318.A N LYS 315.A O no hydrogen 2.906 N/A LYS 318.A NZ TYR 319.A OH no hydrogen 3.215 N/A LEU 320.A N ALA 316.A O no hydrogen 3.321 N/A LYS 324.A NZ TYR 347.A OH no hydrogen 2.770 N/A CYS 325.A SG PRO 321.A O no hydrogen 3.239 N/A SER 326.A OG SER 342.A O no hydrogen 2.648 N/A ILE 328.A N PHE 349.A O no hydrogen 3.281 N/A PHE 335.A N ASP 310.A OD2 no hydrogen 3.021 N/A PHE 338.A N ASP 336.A OD1 no hydrogen 3.371 N/A LYS 339.A NZ CYS 325.A O no hydrogen 3.458 N/A GLN 346.A N GLU 345.A OE2 no hydrogen 2.515 N/A TYR 347.A N LYS 324.A O no hydrogen 2.799 N/A VAL 348.A N ILE 299.A O no hydrogen 3.310 N/A PHE 349.A N SER 326.A O no hydrogen 3.153 N/A CYS 350.A N TYR 301.A O no hydrogen 2.815 N/A CYS 350.A SG THR 351.A O no hydrogen 2.936 N/A ALA 354.A N THR 351.A O no hydrogen 2.813 N/A THR 358.A OG1 THR 359.A O no hydrogen 3.441 N/A ILE 362.A N ARG 298.A O no hydrogen 2.901 N/A PHE 365.A N VAL 389.A O no hydrogen 2.738 N/A ASP 366.A N THR 302.A O no hydrogen 3.189 N/A ILE 368.A N ILE 391.A O no hydrogen 3.109 N/A SER 369.A OG LEU 397.A O no hydrogen 2.277 N/A MET 370.A N GLU 367.A OE2 no hydrogen 3.120 N/A ALA 371.A N ILE 368.A O no hydrogen 2.688 N/A THR 372.A OG1 TYR 374.A OH no hydrogen 2.932 N/A LEU 376.A N THR 372.A O no hydrogen 2.975 N/A SER 377.A N ASN 373.A O no hydrogen 2.874 N/A SER 377.A N TYR 374.A O no hydrogen 2.903 N/A SER 377.A OG ASN 373.A O no hydrogen 3.150 N/A SER 377.A OG TYR 374.A O no hydrogen 2.900 N/A VAL 378.A N TYR 374.A O no hydrogen 2.965 N/A ASN 380.A ND2 THR 234.A O no hydrogen 2.919 N/A ALA 381.A N SER 377.A O no hydrogen 3.162 N/A ARG 382.A N VAL 378.A O no hydrogen 2.981 N/A ARG 382.A NH1 VAL 378.A O no hydrogen 2.662 N/A LEU 383.A N VAL 379.A O no hydrogen 2.462 N/A HIS 387.A N ASP 361.A O no hydrogen 3.266 N/A HIS 387.A ND1 LYS 271.A O no hydrogen 3.047 N/A TYR 388.A N LYS 271.A O no hydrogen 3.094 N/A VAL 389.A N VAL 363.A O no hydrogen 3.471 N/A ALA 395.A N ASP 393.A OD1 no hydrogen 3.321 N/A GLN 396.A N ASP 393.A O no hydrogen 3.102 N/A ARG 401.A NE ALA 399.A O no hydrogen 2.302 N/A THR 402.A OG1 TYR 179.A OH no hydrogen 2.462 N/A LEU 404.A N ARG 401.A O no hydrogen 3.396 N/A THR 405.A OG1 THR 114.A OG1 no hydrogen 3.377 N/A GLU 410.A N GLU 410.A OE2 no hydrogen 2.693 N/A GLU 412.A N GLU 412.A OE2 no hydrogen 2.804 N/A TYR 413.A N GLU 410.A O no hydrogen 2.996 N/A ASN 415.A ND2 ILE 368.A O no hydrogen 3.676 N/A ASN 415.A ND2 ALA 371.A O no hydrogen 3.516 N/A CYS 418.A N ASN 415.A OD1 no hydrogen 2.323 N/A CYS 418.A SG PRO 411.A O no hydrogen 3.094 N/A CYS 418.A SG ASN 415.A O no hydrogen 2.895 N/A ARG 419.A NE GLU 412.A O no hydrogen 2.346 N/A ARG 419.A NH2 GLU 412.A O no hydrogen 3.051 N/A LEU 420.A N VAL 417.A O no hydrogen 3.038 N/A LYS 422.A N ARG 419.A O no hydrogen 3.001 N/A LYS 422.A NZ CYS 418.A O no hydrogen 2.974 N/A THR 423.A N LEU 420.A O no hydrogen 3.318 N/A THR 423.A OG1 ARG 419.A O no hydrogen 2.945 N/A THR 423.A OG1 LEU 420.A O no hydrogen 2.984 N/A ILE 424.A N LEU 420.A O no hydrogen 2.931 N/A PHE 429.A N ASN 263.A OD1 no hydrogen 3.303 N/A THR 432.A OG1 HIS 456.A NE2 no hydrogen 3.361 N/A CYS 433.A SG PRO 279.A O no hydrogen 3.334 N/A CYS 433.A SG GLY 280.A O no hydrogen 3.572 N/A ARG 435.A NH1 THR 558.A O no hydrogen 3.324 N/A CYS 436.A SG THR 558.A O no hydrogen 3.022 N/A CYS 436.A SG THR 558.A OG1 no hydrogen 3.108 N/A CYS 436.A SG ALA 560.A O no hydrogen 3.120 N/A ALA 438.A N ASP 458.A O no hydrogen 3.501 N/A GLU 439.A N GLU 439.A OE2 no hydrogen 1.994 N/A THR 443.A N ILE 440.A O no hydrogen 2.781 N/A THR 443.A OG1 GLU 439.A O no hydrogen 2.107 N/A VAL 444.A N ILE 440.A O no hydrogen 2.699 N/A SER 445.A OG ASP 442.A O no hydrogen 2.400 N/A TYR 449.A N VAL 444.A O no hydrogen 3.394 N/A TYR 449.A OH GLN 396.A OE1 no hydrogen 2.824 N/A ASP 450.A N VAL 448.A O no hydrogen 2.542 N/A ASN 451.A N SER 445.A O no hydrogen 3.256 N/A LYS 452.A N TYR 449.A O no hydrogen 2.991 N/A LYS 457.A NZ ARG 434.A O no hydrogen 2.659 N/A LYS 457.A NZ HIS 456.A ND1 no hydrogen 3.417 N/A SER 460.A N GLU 439.A OE1 no hydrogen 2.937 N/A SER 460.A OG GLU 439.A OE1 no hydrogen 2.457 N/A SER 460.A OG VAL 562.A O no hydrogen 2.387 N/A CYS 463.A SG VAL 562.A O no hydrogen 3.159 N/A PHE 464.A N ILE 564.A O no hydrogen 3.372 N/A LYS 465.A N THR 580.A O no hydrogen 2.434 N/A MET 466.A N.B CYS 566.A O no hydrogen 3.402 N/A TYR 468.A N MET 568.A O no hydrogen 2.158 N/A TYR 468.A OH PRO 483.A O no hydrogen 2.300 N/A THR 473.A OG1 ILE 472.A O no hydrogen 2.614 N/A ASP 475.A N SER 478.A O no hydrogen 3.485 N/A SER 478.A OG SER 477.A O no hydrogen 3.232 N/A ASN 481.A ND2 VAL 471.A O no hydrogen 3.232 N/A ASN 481.A ND2 THR 473.A O no hydrogen 3.269 N/A GLN 484.A N ASN 481.A O no hydrogen 2.663 N/A GLN 484.A NE2 SER 569.A OG no hydrogen 3.394 N/A GLY 486.A N ARG 482.A O no hydrogen 2.466 N/A GLY 486.A N PRO 483.A O no hydrogen 3.283 N/A VAL 488.A N ILE 485.A O no hydrogen 3.090 N/A ARG 489.A NE ARG 489.A O no hydrogen 3.279 N/A GLU 490.A N GLY 486.A O no hydrogen 3.128 N/A PHE 491.A N VAL 487.A O no hydrogen 2.994 N/A LEU 492.A N VAL 488.A O no hydrogen 2.682 N/A THR 493.A N ARG 489.A O no hydrogen 3.127 N/A ARG 494.A N PHE 491.A O no hydrogen 3.261 N/A ASN 495.A N LEU 492.A O no hydrogen 3.261 N/A TRP 498.A N ASN 495.A O no hydrogen 3.350 N/A LYS 500.A N TRP 498.A O no hydrogen 2.878 N/A PHE 503.A N PRO 521.A O no hydrogen 3.207 N/A ILE 504.A N ILE 537.A O no hydrogen 2.765 N/A SER 505.A OG TYR 507.A O no hydrogen 3.388 N/A SER 505.A OG GLN 510.A OE1 no hydrogen 2.680 N/A GLN 510.A N TYR 507.A O no hydrogen 2.652 N/A VAL 513.A N SER 509.A O no hydrogen 3.218 N/A ALA 514.A N GLN 510.A O no hydrogen 2.548 N/A SER 515.A N ASN 511.A O no hydrogen 3.309 N/A SER 515.A OG LEU 520.A O no hydrogen 2.937 N/A ILE 517.A N ALA 514.A O no hydrogen 2.839 N/A LEU 518.A N ALA 514.A O no hydrogen 2.353 N/A GLY 519.A N SER 515.A O no hydrogen 2.596 N/A SER 528.A OG SER 528.A O no hydrogen 2.526 N/A SER 531.A N GLN 529.A O no hydrogen 2.864 N/A ILE 537.A N VAL 502.A O no hydrogen 2.694 N/A THR 539.A OG1 THR 541.A OG1 no hydrogen 3.127 N/A GLN 540.A N ILE 567.A O no hydrogen 3.141 N/A THR 541.A OG1 THR 539.A O no hydrogen 2.834 N/A THR 541.A OG1 THR 539.A OG1 no hydrogen 3.127 N/A HIS 546.A N THR 544.A O no hydrogen 2.646 N/A HIS 546.A ND1 THR 544.A O no hydrogen 2.922 N/A SER 547.A N HIS 546.A ND1 no hydrogen 2.757 N/A CYS 548.A SG GLU 543.A O no hydrogen 3.627 N/A CYS 548.A SG ASP 572.A OD2 no hydrogen 3.362 N/A ASN 551.A ND2 ALA 395.A O no hydrogen 3.456 N/A ARG 552.A N ASN 549.A O no hydrogen 2.989 N/A PHE 553.A N ASN 549.A O no hydrogen 3.085 N/A ASN 554.A ND2 TYR 449.A OH no hydrogen 2.705 N/A ALA 556.A N PHE 553.A O no hydrogen 2.724 N/A ARG 559.A NE SER 531.A O no hydrogen 3.126 N/A ARG 559.A NH2 SER 531.A O no hydrogen 2.633 N/A LYS 561.A NZ ASP 534.A OD1 no hydrogen 3.105 N/A CYS 566.A SG PHE 464.A O no hydrogen 3.545 N/A CYS 566.A SG CYS 566.A O no hydrogen 2.941 N/A ILE 567.A N PHE 538.A O no hydrogen 3.347 N/A MET 568.A N MET 466.A O.A no hydrogen 2.624 N/A MET 568.A N MET 466.A O.B no hydrogen 2.606 N/A LYS 576.A N LEU 573.A O no hydrogen 2.958 N/A LYS 576.A NZ LYS 576.A O no hydrogen 3.520 N/A LEU 577.A N LEU 573.A O no hydrogen 2.364 N/A GLN 578.A NE2 ASP 442.A O no hydrogen 3.247 N/A GLN 578.A NE2 THR 443.A OG1 no hydrogen 3.351 N/A SER 581.A OG LYS 465.A O no hydrogen 2.974 N/A