Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w1s_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A SG GLU 6.A O no hydrogen 3.234 N/A CYS 16.A N SER 13.A O no hydrogen 2.615 N/A ALA 22.A N THR 34.A OG1 no hydrogen 2.914 N/A TRP 25.A N GLN 373.A OE1 no hydrogen 3.040 N/A THR 34.A OG1 ALA 22.A O no hydrogen 3.008 N/A THR 39.A OG1 HIS 60.A O no hydrogen 2.850 N/A ILE 42.A N VAL 56.A O no hydrogen 3.184 N/A HIS 43.A N ALA 32.A O no hydrogen 2.788 N/A HIS 43.A ND1 PHE 33.A O no hydrogen 2.934 N/A HIS 54.A N ILE 44.A O no hydrogen 3.462 N/A SER 55.A OG ILE 42.A O no hydrogen 2.882 N/A THR 65.A N SER 78.A OG no hydrogen 2.660 N/A THR 65.A OG1 SER 78.A OG no hydrogen 2.910 N/A CYS 66.A SG THR 65.A O no hydrogen 3.091 N/A TRP 69.A NE1 LEU 114.A O no hydrogen 2.556 N/A TRP 69.A NE1 GLY 157.A O no hydrogen 3.014 N/A SER 74.A OG SER 72.A O no hydrogen 3.036 N/A SER 78.A OG THR 65.A O no hydrogen 2.296 N/A SER 78.A OG THR 65.A OG1 no hydrogen 2.910 N/A CYS 87.A SG GLY 73.A O no hydrogen 3.443 N/A HIS 93.A N TRP 730.A O no hydrogen 3.055 N/A GLY 108.A N GLN 105.A O no hydrogen 3.309 N/A ILE 111.A N VAL 161.A O no hydrogen 3.320 N/A SER 115.A OG LEU 114.A O no hydrogen 2.498 N/A SER 115.A OG SER 115.A O no hydrogen 2.403 N/A SER 115.A OG GLY 157.A O no hydrogen 2.161 N/A LYS 122.A N SER 140.A O no hydrogen 3.364 N/A GLU 128.A N LEU 125.A O no hydrogen 2.949 N/A GLY 136.A N SER 133.A O no hydrogen 3.014 N/A GLU 137.A N SER 133.A O no hydrogen 3.123 N/A SER 140.A OG LYS 122.A O no hydrogen 2.905 N/A MET 155.A N LYS 153.A O no hydrogen 3.209 N/A VAL 163.A N ASP 109.A O no hydrogen 2.505 N/A THR 168.A OG1 VAL 169.A O no hydrogen 2.783 N/A THR 180.A OG1 LEU 172.A O no hydrogen 3.401 N/A THR 180.A OG1 LEU 179.A O no hydrogen 2.509 N/A THR 180.A OG1 THR 180.A O no hydrogen 2.521 N/A SER 181.A OG THR 182.A O no hydrogen 3.503 N/A GLU 183.A N THR 182.A OG1 no hydrogen 2.435 N/A CYS 186.A N SER 184.A O no hydrogen 3.225 N/A LEU 188.A N LEU 185.A O no hydrogen 2.225 N/A ALA 193.A N ALA 209.A O no hydrogen 3.110 N/A GLY 201.A N THR 200.A OG1 no hydrogen 2.579 N/A ILE 205.A N VAL 223.A O no hydrogen 3.414 N/A TYR 221.A N VAL 207.A O no hydrogen 3.005 N/A LYS 222.A N GLU 237.A O no hydrogen 2.653 N/A VAL 223.A N ILE 205.A O no hydrogen 3.097 N/A CYS 224.A SG ASN 204.A OD1 no hydrogen 3.230 N/A SER 229.A OG SER 229.A O no hydrogen 2.330 N/A GLU 230.A N VAL 228.A O no hydrogen 2.631 N/A CYS 232.A SG SER 170.A OG no hydrogen 3.342 N/A CYS 232.A SG THR 180.A O no hydrogen 3.765 N/A LEU 239.A N PHE 220.A O no hydrogen 3.116 N/A CYS 246.A SG ASP 254.A O no hydrogen 3.852 N/A THR 247.A N MET 244.A O no hydrogen 3.183 N/A THR 247.A OG1 MET 244.A O no hydrogen 3.115 N/A MET 269.A N LEU 265.A O no hydrogen 3.346 N/A SER 270.A N TRP 285.A O no hydrogen 2.832 N/A GLU 271.A N HIS 261.A O no hydrogen 3.148 N/A LEU 274.A N LEU 281.A O no hydrogen 2.684 N/A LEU 275.A N PHE 256.A O no hydrogen 3.017 N/A SER 279.A N ALA 277.A O no hydrogen 3.346 N/A SER 280.A N ASP 315.A O no hydrogen 2.489 N/A GLU 283.A N GLN 272.A O no hydrogen 3.460 N/A TRP 285.A N SER 270.A O no hydrogen 2.334 N/A SER 286.A N ARG 308.A O no hydrogen 2.777 N/A GLU 290.A N ILE 304.A O no hydrogen 3.369 N/A VAL 294.A N LEU 292.A O no hydrogen 3.100 N/A LEU 310.A N CYS 284.A O no hydrogen 3.186 N/A SER 311.A OG SER 360.A O no hydrogen 3.156 N/A THR 313.A N VAL 282.A O no hydrogen 3.271 N/A ARG 318.A N ALA 347.A O no hydrogen 2.809 N/A VAL 319.A N ALA 347.A O no hydrogen 3.146 N/A GLY 341.A N TYR 339.A O no hydrogen 2.446 N/A LEU 344.A N VAL 356.A O no hydrogen 2.343 N/A LEU 346.A N HIS 354.A O no hydrogen 2.913 N/A ALA 347.A N VAL 319.A O no hydrogen 2.371 N/A HIS 354.A N LEU 346.A O no hydrogen 2.845 N/A MET 355.A N ALA 365.A O no hydrogen 3.360 N/A VAL 356.A N LEU 344.A O no hydrogen 2.871 N/A ARG 358.A N LEU 342.A O no hydrogen 2.997 N/A LEU 361.A N HIS 357.A O no hydrogen 3.042 N/A SER 375.A N ALA 380.A O no hydrogen 2.825 N/A SER 375.A OG ALA 380.A O no hydrogen 3.311 N/A LEU 379.A N PRO 397.A O no hydrogen 2.972 N/A ALA 408.A N GLU 404.A O no hydrogen 3.026 N/A LEU 409.A N PRO 405.A O no hydrogen 2.916 N/A GLN 410.A N LYS 406.A O no hydrogen 2.905 N/A HIS 411.A N LEU 407.A O no hydrogen 2.864 N/A LEU 412.A N ALA 408.A O no hydrogen 2.916 N/A LEU 413.A N LEU 409.A O no hydrogen 2.910 N/A PHE 414.A N GLN 410.A O no hydrogen 2.885 N/A LEU 415.A N HIS 411.A O no hydrogen 2.926 N/A LEU 416.A N LEU 412.A O no hydrogen 2.925 N/A GLU 417.A N LEU 413.A O no hydrogen 2.874 N/A TYR 418.A N PHE 414.A O no hydrogen 2.901 N/A CYS 419.A N LEU 415.A O no hydrogen 2.924 N/A CYS 419.A SG LEU 415.A O no hydrogen 3.022 N/A MET 420.A N LEU 416.A O no hydrogen 2.903 N/A VAL 421.A N GLU 417.A O no hydrogen 2.870 N/A THR 422.A N TYR 418.A O no hydrogen 2.920 N/A THR 422.A OG1 TYR 418.A O no hydrogen 2.598 N/A GLY 423.A N CYS 419.A O no hydrogen 3.127 N/A LEU 431.A N ASP 428.A O no hydrogen 2.782 N/A HIS 432.A N ASP 428.A O no hydrogen 3.242 N/A HIS 432.A ND1 VAL 433.A O no hydrogen 2.885 N/A MET 437.A N GLN 434.A O no hydrogen 2.699 N/A VAL 438.A N PRO 435.A O no hydrogen 2.802 N/A VAL 442.A N VAL 438.A O no hydrogen 3.314 N/A GLU 443.A N GLN 439.A O no hydrogen 2.885 N/A ARG 444.A N SER 440.A O no hydrogen 2.950 N/A LEU 445.A N LEU 441.A O no hydrogen 2.886 N/A HIS 446.A N VAL 442.A O no hydrogen 2.895 N/A HIS 446.A ND1 VAL 442.A O no hydrogen 3.182 N/A GLU 447.A N GLU 443.A O no hydrogen 2.931 N/A GLU 448.A N ARG 444.A O no hydrogen 2.935 N/A TYR 449.A N LEU 445.A O no hydrogen 2.869 N/A TYR 449.A OH GLN 457.A O no hydrogen 3.118 N/A THR 450.A N HIS 446.A O no hydrogen 2.901 N/A ARG 451.A N GLU 447.A O no hydrogen 2.919 N/A GLN 452.A N GLU 448.A O no hydrogen 3.393 N/A GLN 458.A N ALA 455.A O no hydrogen 3.283 N/A VAL 459.A N LEU 456.A O no hydrogen 3.183 N/A LEU 460.A N GLN 457.A O no hydrogen 3.200 N/A ARG 463.A N LEU 460.A O no hydrogen 3.299 N/A ILE 464.A N LEU 460.A O no hydrogen 2.896 N/A LEU 465.A N SER 461.A O no hydrogen 2.961 N/A MET 467.A N ARG 463.A O no hydrogen 2.919 N/A LYS 468.A N ILE 464.A O no hydrogen 2.890 N/A ALA 469.A N LEU 465.A O no hydrogen 2.937 N/A SER 470.A N ALA 466.A O no hydrogen 2.891 N/A SER 470.A OG ALA 466.A O no hydrogen 2.756 N/A SER 470.A OG MET 467.A O no hydrogen 2.688 N/A LEU 471.A N MET 467.A O no hydrogen 2.928 N/A CYS 472.A N LYS 468.A O no hydrogen 2.925 N/A CYS 472.A SG LYS 468.A O no hydrogen 2.969 N/A CYS 472.A SG ALA 469.A O no hydrogen 3.322 N/A LYS 473.A NZ ALA 661.A O no hydrogen 2.617 N/A LYS 473.A NZ PRO 662.A O no hydrogen 2.825 N/A LEU 474.A N LEU 471.A O no hydrogen 3.428 N/A TYR 480.A N ASP 479.A OD1 no hydrogen 2.564 N/A HIS 481.A N VAL 477.A O no hydrogen 3.035 N/A HIS 481.A ND1 ALA 469.A O no hydrogen 2.822 N/A THR 482.A N CYS 478.A O no hydrogen 2.905 N/A THR 482.A OG1 CYS 478.A O no hydrogen 2.983 N/A LYS 483.A N ASP 479.A O no hydrogen 2.977 N/A LEU 486.A N THR 482.A O no hydrogen 2.973 N/A MET 487.A N LYS 483.A O no hydrogen 2.910 N/A ALA 488.A N LEU 484.A O no hydrogen 2.904 N/A ILE 489.A N PHE 485.A O no hydrogen 2.965 N/A THR 490.A N LEU 486.A O no hydrogen 3.482 N/A SER 491.A N MET 487.A O no hydrogen 2.904 N/A SER 491.A OG MET 487.A O no hydrogen 2.849 N/A SER 491.A OG ALA 488.A O no hydrogen 2.640 N/A THR 492.A N ALA 488.A O no hydrogen 2.947 N/A LEU 493.A N ILE 489.A O no hydrogen 2.940 N/A LYS 494.A N THR 490.A O no hydrogen 2.912 N/A SER 495.A N SER 491.A O no hydrogen 2.902 N/A SER 495.A OG SER 491.A O no hydrogen 2.736 N/A SER 495.A OG THR 492.A O no hydrogen 3.108 N/A LEU 496.A N THR 492.A O no hydrogen 2.911 N/A LEU 496.A N LEU 493.A O no hydrogen 3.251 N/A LEU 497.A N LEU 493.A O no hydrogen 2.921 N/A PHE 501.A N ARG 498.A O no hydrogen 2.977 N/A THR 504.A OG1 PRO 505.A O no hydrogen 3.416 N/A ARG 512.A N PRO 509.A O no hydrogen 2.607 N/A LEU 513.A N GLY 510.A O no hydrogen 3.377 N/A GLU 515.A N ARG 512.A O no hydrogen 3.014 N/A ILE 516.A N ARG 512.A O no hydrogen 2.905 N/A CYS 517.A SG ALA 514.A O no hydrogen 3.072 N/A ILE 520.A N ALA 518.A O no hydrogen 2.973 N/A LYS 527.A N ASP 524.A O no hydrogen 2.727 N/A MET 529.A N ILE 525.A O no hydrogen 2.893 N/A ASN 531.A N LYS 527.A O no hydrogen 2.903 N/A LEU 532.A N VAL 528.A O no hydrogen 2.918 N/A LYS 533.A N MET 529.A O no hydrogen 2.946 N/A LYS 533.A NZ ASP 506.A OD1 no hydrogen 2.513 N/A PHE 537.A N GLU 535.A O no hydrogen 2.916 N/A GLN 545.A N THR 543.A O no hydrogen 2.710 N/A LEU 550.A N ALA 546.A O no hydrogen 2.859 N/A LEU 551.A N ALA 546.A O no hydrogen 2.669 N/A TRP 553.A N LEU 550.A O no hydrogen 3.161 N/A GLY 555.A N LEU 551.A O no hydrogen 3.344 N/A ASP 556.A N GLN 552.A O no hydrogen 2.920 N/A ASP 556.A N TRP 553.A O no hydrogen 3.259 N/A PHE 557.A N TRP 553.A O no hydrogen 2.851 N/A VAL 558.A N VAL 554.A O no hydrogen 2.940 N/A TYR 560.A N ASP 556.A O no hydrogen 2.909 N/A LEU 561.A N PHE 557.A O no hydrogen 2.889 N/A LEU 562.A N VAL 558.A O no hydrogen 2.944 N/A VAL 563.A N LEU 559.A O no hydrogen 2.903 N/A SER 564.A N TYR 560.A O no hydrogen 3.151 N/A SER 564.A OG TYR 560.A O no hydrogen 2.874 N/A SER 564.A OG LEU 561.A O no hydrogen 2.698 N/A LEU 565.A N LEU 562.A O no hydrogen 3.418 N/A SER 570.A N ASN 567.A O no hydrogen 3.212 N/A LEU 572.A N SER 570.A O no hydrogen 2.561 N/A GLY 575.A N LEU 572.A O no hydrogen 3.353 N/A GLY 586.A N GLY 582.A O no hydrogen 2.726 N/A MET 587.A N THR 583.A O no hydrogen 2.918 N/A LEU 588.A N SER 584.A O no hydrogen 2.885 N/A ARG 589.A N LEU 585.A O no hydrogen 2.911 N/A GLU 590.A N GLY 586.A O no hydrogen 2.925 N/A LEU 591.A N MET 587.A O no hydrogen 2.906 N/A MET 592.A N LEU 588.A O no hydrogen 2.885 N/A VAL 593.A N ARG 589.A O no hydrogen 2.903 N/A VAL 594.A N GLU 590.A O no hydrogen 2.970 N/A ILE 595.A N LEU 591.A O no hydrogen 2.883 N/A ARG 596.A N MET 592.A O no hydrogen 2.879 N/A ILE 597.A N VAL 593.A O no hydrogen 2.952 N/A TRP 598.A N VAL 594.A O no hydrogen 2.894 N/A GLY 599.A N ILE 595.A O no hydrogen 2.883 N/A LEU 600.A N ARG 596.A O no hydrogen 2.899 N/A LEU 601.A N ILE 597.A O no hydrogen 2.924 N/A LYS 602.A N TRP 598.A O no hydrogen 2.843 N/A SER 618.A N ASP 615.A O no hydrogen 3.062 N/A LEU 619.A N ASP 615.A O no hydrogen 3.421 N/A LEU 620.A N SER 616.A O no hydrogen 2.935 N/A PHE 621.A N MET 617.A O no hydrogen 2.871 N/A ARG 622.A N SER 618.A O no hydrogen 2.901 N/A LEU 623.A N LEU 619.A O no hydrogen 2.968 N/A LEU 624.A N LEU 620.A O no hydrogen 2.912 N/A THR 625.A N PHE 621.A O no hydrogen 2.889 N/A THR 625.A OG1 ASP 522.A O no hydrogen 2.802 N/A THR 625.A OG1 PHE 621.A O no hydrogen 2.783 N/A THR 625.A OG1 ARG 622.A O no hydrogen 2.786 N/A LYS 626.A N ARG 622.A O no hydrogen 2.906 N/A LEU 627.A N LEU 623.A O no hydrogen 2.943 N/A TRP 628.A N THR 625.A O no hydrogen 3.083 N/A ILE 629.A N THR 625.A O no hydrogen 2.907 N/A CYS 631.A N TRP 628.A O no hydrogen 3.187 N/A LEU 644.A N ALA 640.A O no hydrogen 2.890 N/A VAL 645.A N SER 641.A O no hydrogen 2.916 N/A SER 646.A OG GLY 643.A O no hydrogen 2.268 N/A ARG 647.A N LEU 644.A O no hydrogen 3.084 N/A ARG 660.A NH2 ARG 660.A O no hydrogen 2.760 N/A SER 669.A OG THR 670.A OG1 no hydrogen 3.410 N/A THR 670.A OG1 SER 669.A O no hydrogen 2.290 N/A THR 670.A OG1 SER 669.A OG no hydrogen 3.410 N/A LEU 673.A N VAL 4.A O no hydrogen 3.220 N/A GLY 675.A N GLU 6.A O no hydrogen 2.751 N/A THR 677.A OG1 LEU 676.A O no hydrogen 2.443 N/A GLN 715.A N GLN 715.A OE1 no hydrogen 2.598 N/A TRP 716.A N VAL 713.A O no hydrogen 3.174 N/A GLN 718.A N THR 714.A O no hydrogen 2.884 N/A ARG 719.A N GLN 715.A O no hydrogen 2.905 N/A TRP 720.A N GLU 717.A O no hydrogen 2.954 N/A ILE 721.A N GLU 717.A O no hydrogen 2.787 N/A TRP 730.A N GLY 728.A O no hydrogen 2.673 N/A ARG 731.A N ARG 697.A O no hydrogen 2.609 N/A