Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pto_6.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A OG1 VAL 1.A O no hydrogen 2.620 N/A GLY 6.A N ASP 2.A O no hydrogen 2.862 N/A GLU 7.A N ASP 3.A O no hydrogen 2.975 N/A LYS 8.A N VAL 4.A O no hydrogen 2.388 N/A VAL 9.A N THR 5.A O no hydrogen 2.944 N/A ARG 10.A NH2 GLU 7.A OE1 no hydrogen 3.377 N/A ALA 12.A N LYS 8.A O no hydrogen 3.285 N/A PHE 13.A N VAL 9.A O no hydrogen 3.226 N/A GLU 14.A N ARG 10.A O no hydrogen 3.015 N/A GLN 15.A N GLU 11.A O no hydrogen 2.765 N/A PHE 16.A N PHE 13.A O no hydrogen 3.133 N/A GLU 18.A N GLU 14.A O no hydrogen 3.109 N/A ASP 19.A N GLN 15.A O no hydrogen 2.617 N/A GLN 23.A N GLU 29.A OE2 no hydrogen 3.327 N/A GLN 23.A NE2 GLU 29.A OE2 no hydrogen 3.549 N/A SER 24.A OG GLU 29.A OE1 no hydrogen 2.245 N/A LYS 32.A NZ GLU 18.A O no hydrogen 2.424 N/A GLN 37.A N VAL 33.A O no hydrogen 2.815 N/A ILE 38.A N TYR 34.A O no hydrogen 3.053 N/A GLU 39.A N ARG 35.A O no hydrogen 2.992 N/A PHE 40.A N ALA 36.A O no hydrogen 2.903 N/A LYS 42.A N ILE 38.A O no hydrogen 3.016 N/A LYS 42.A NZ PRO 92.A O no hydrogen 2.392 N/A ASP 45.A N MET 41.A O no hydrogen 2.962 N/A ILE 51.A N SER 99.A O no hydrogen 3.092 N/A TYR 53.A N ASP 52.A OD1 no hydrogen 2.839 N/A SER 57.A N TYR 53.A O no hydrogen 3.265 N/A SER 57.A OG TYR 53.A O no hydrogen 2.881 N/A SER 57.A OG GLN 54.A O no hydrogen 2.286 N/A MET 58.A N GLN 54.A O no hydrogen 2.903 N/A ARG 59.A NH1 ALA 12.A O no hydrogen 2.523 N/A GLY 62.A N SER 57.A O no hydrogen 3.315 N/A ALA 63.A N GLU 60.A O no hydrogen 2.977 N/A ILE 68.A N LEU 64.A O no hydrogen 2.805 N/A SER 69.A OG GLU 70.A OE2 no hydrogen 2.511 N/A GLU 70.A N ALA 67.A O no hydrogen 3.029 N/A GLN 71.A NE2 ASP 2.A OD1 no hydrogen 3.411 N/A TYR 72.A OH SER 119.A O no hydrogen 2.590 N/A ARG 74.A NH1 ASP 2.A OD2 no hydrogen 2.443 N/A ARG 74.A NH2 GLN 71.A OE1 no hydrogen 3.100 N/A PHE 75.A N GLN 71.A O no hydrogen 2.345 N/A PHE 78.A N LEU 76.A O no hydrogen 2.713 N/A GLY 82.A N PHE 78.A O no hydrogen 3.062 N/A LEU 83.A N LEU 79.A O no hydrogen 3.061 N/A ARG 84.A N GLN 80.A O no hydrogen 3.266 N/A ARG 85.A N LYS 81.A O no hydrogen 3.154 N/A ARG 85.A NH1 GLU 11.A OE1 no hydrogen 2.624 N/A ARG 85.A NH1 GLU 14.A OE1 no hydrogen 3.227 N/A VAL 86.A N GLY 82.A O no hydrogen 2.951 N/A VAL 87.A N LEU 83.A O no hydrogen 3.114 N/A TYR 90.A N VAL 87.A O no hydrogen 2.933 N/A ALA 91.A N VAL 87.A O no hydrogen 2.406 N/A GLN 97.A NE2 ASN 47.A O no hydrogen 2.959 N/A SER 99.A OG ILE 49.A O no hydrogen 2.266 N/A HIS 107.A N SER 122.A O no hydrogen 3.349 N/A ARG 108.A NH1 ASP 111.A OD1 no hydrogen 3.397 N/A ARG 113.A NH2 ARG 110.A O no hydrogen 3.374 N/A LYS 116.A NZ ASP 111.A O no hydrogen 3.146 N/A ILE 117.A N GLU 115.A O no hydrogen 2.895 N/A LEU 121.A N GLY 232.A O no hydrogen 2.859 N/A SER 122.A OG THR 105.A O no hydrogen 2.537 N/A THR 126.A N GLN 195.A O no hydrogen 2.705 N/A THR 126.A OG1 ASP 226.A O no hydrogen 3.568 N/A THR 128.A N ARG 193.A O no hydrogen 3.165 N/A THR 128.A OG1 GLN 195.A OE1 no hydrogen 3.435 N/A ARG 129.A NH1 ARG 129.A O no hydrogen 2.880 N/A THR 130.A OG1 SER 131.A O no hydrogen 2.960 N/A THR 130.A OG1 GLN 190.A OE1 no hydrogen 2.909 N/A GLU 132.A N SER 131.A OG no hydrogen 2.404 N/A GLU 136.A N LEU 187.A O no hydrogen 2.859 N/A LYS 139.A N LEU 137.A O no hydrogen 2.710 N/A LYS 139.A NZ ASP 152.A O no hydrogen 3.533 N/A LYS 139.A NZ ASN 153.A O no hydrogen 2.683 N/A THR 161.A N LYS 159.A O no hydrogen 2.880 N/A SER 184.A OG LYS 139.A O no hydrogen 2.258 N/A SER 184.A OG ARG 185.A O no hydrogen 3.405 N/A ARG 185.A NH1 ARG 94.A O no hydrogen 3.161 N/A TRP 189.A N ARG 134.A O no hydrogen 3.293 N/A VAL 192.A N VAL 212.A O no hydrogen 3.122 N/A ILE 194.A N LEU 210.A O no hydrogen 3.120 N/A ASN 197.A N GLU 196.A OE2 no hydrogen 2.892 N/A ALA 198.A N ASN 197.A OD1 no hydrogen 2.885 N/A SER 205.A OG THR 203.A O no hydrogen 3.204 N/A THR 209.A OG1 ILE 194.A O no hydrogen 2.256 N/A THR 209.A OG1 LEU 210.A O no hydrogen 3.227 N/A VAL 212.A N VAL 192.A O no hydrogen 2.987 N/A ILE 213.A N PHE 274.A O no hydrogen 2.861 N/A LEU 214.A N GLN 190.A O no hydrogen 3.535 N/A ARG 215.A NE GLU 136.A OE1 no hydrogen 3.264 N/A ARG 215.A NH1 GLU 136.A OE1 no hydrogen 2.652 N/A ARG 221.A N SER 218.A O no hydrogen 3.316 N/A LYS 223.A N ARG 221.A O no hydrogen 3.025 N/A LYS 223.A NZ PRO 224.A O no hydrogen 2.337 N/A CYS 228.A N GLY 125.A O no hydrogen 2.701 N/A CYS 228.A SG LYS 229.A O no hydrogen 3.175 N/A CYS 228.A SG ILE 280.A O no hydrogen 3.284 N/A LYS 229.A N ILE 280.A O no hydrogen 3.276 N/A THR 231.A OG1 HIS 278.A O no hydrogen 2.917 N/A VAL 237.A N LYS 271.A O no hydrogen 3.438 N/A THR 241.A N ASP 239.A OD2 no hydrogen 3.012 N/A THR 241.A OG1 VAL 240.A O no hydrogen 2.544 N/A THR 241.A OG1 THR 241.A O no hydrogen 2.584 N/A THR 250.A OG1 THR 250.A O no hydrogen 2.428 N/A LEU 253.A N THR 250.A O no hydrogen 3.190 N/A SER 255.A N GLY 252.A O no hydrogen 2.793 N/A SER 255.A OG THR 258.A OG1 no hydrogen 2.641 N/A SER 255.A OG LEU 268.A O no hydrogen 2.688 N/A GLY 256.A N GLY 252.A O no hydrogen 3.051 N/A VAL 257.A N ASN 254.A O no hydrogen 3.325 N/A THR 258.A N SER 255.A O no hydrogen 2.850 N/A THR 258.A OG1 SER 255.A O no hydrogen 2.376 N/A THR 258.A OG1 SER 255.A OG no hydrogen 2.641 N/A THR 258.A OG1 LEU 268.A O no hydrogen 3.032 N/A ARG 266.A NH1 VAL 265.A O no hydrogen 3.434 N/A LYS 271.A N VAL 237.A O no hydrogen 3.443 N/A SER 273.A N ILE 235.A O no hydrogen 3.128 N/A SER 273.A OG LYS 271.A O no hydrogen 3.532 N/A LEU 275.A N VAL 233.A O no hydrogen 3.416 N/A ALA 276.A N ILE 213.A O no hydrogen 2.917 N/A CYS 277.A N THR 231.A OG1 no hydrogen 3.024 N/A HIS 278.A N THR 231.A OG1 no hydrogen 2.477 N/A SER 284.A OG GLU 286.A OE1 no hydrogen 3.512 N/A ILE 287.A N SER 284.A OG no hydrogen 2.867 N/A ASN 288.A ND2 ASP 285.A OD1 no hydrogen 3.503 N/A GLU 289.A N GLU 286.A O no hydrogen 3.130 N/A LEU 290.A N GLU 286.A O no hydrogen 3.397 N/A GLU 292.A N ASN 288.A O no hydrogen 3.218 N/A MET 293.A N GLU 289.A O no hydrogen 2.947 N/A VAL 294.A N LEU 290.A O no hydrogen 2.560 N/A LYS 295.A N GLU 292.A O no hydrogen 3.009 N/A ASP 301.A N HIS 298.A O no hydrogen 2.710 N/A LYS 302.A N HIS 298.A O no hydrogen 2.846 N/A LEU 303.A N ILE 299.A O no hydrogen 2.981 N/A VAL 304.A N TYR 300.A O no hydrogen 3.421 N/A ARG 305.A N ASP 301.A O no hydrogen 3.240 N/A ARG 305.A NE ASP 301.A O no hydrogen 3.413 N/A ARG 305.A NH1 ASP 301.A OD2 no hydrogen 2.364 N/A SER 306.A N LEU 303.A O no hydrogen 3.014 N/A SER 306.A OG LYS 302.A O no hydrogen 2.359 N/A SER 306.A OG LEU 303.A O no hydrogen 2.981 N/A GLU 315.A N GLU 315.A OE1 no hydrogen 2.638 N/A LYS 319.A N GLU 315.A O no hydrogen 3.127 N/A LYS 319.A NZ GLU 315.A O no hydrogen 2.835 N/A GLY 320.A N VAL 317.A O no hydrogen 3.210 N/A ILE 321.A N VAL 317.A O no hydrogen 3.344 N/A GLN 324.A N GLY 320.A O no hydrogen 3.109 N/A GLN 324.A NE2 GLN 324.A O no hydrogen 2.658 N/A MET 325.A N ILE 321.A O no hydrogen 3.005 N/A LEU 326.A N LEU 322.A O no hydrogen 3.150 N/A VAL 329.A N GLU 582.A OE2 no hydrogen 3.071 N/A SER 332.A OG HIS 330.A O no hydrogen 3.232 N/A LYS 338.A NZ THR 333.A O no hydrogen 3.063 N/A ARG 340.A NH1 GLU 431.A O no hydrogen 2.443 N/A ASN 344.A ND2 GLN 324.A OE1 no hydrogen 3.362 N/A CYS 346.A SG ALA 454.A O no hydrogen 3.186 N/A VAL 347.A N ALA 454.A O no hydrogen 3.080 N/A SER 352.A OG SER 352.A O no hydrogen 2.405 N/A THR 353.A OG1 ASP 350.A O no hydrogen 2.287 N/A LYS 355.A NZ SER 356.A OG no hydrogen 3.232 N/A GLN 357.A N SER 354.A O no hydrogen 3.388 N/A LYS 360.A N SER 356.A O no hydrogen 3.036 N/A TYR 361.A N PHE 358.A O no hydrogen 2.840 N/A VAL 362.A N PHE 358.A O no hydrogen 2.969 N/A PHE 365.A N VAL 362.A O no hydrogen 2.861 N/A ALA 366.A N VAL 362.A O no hydrogen 2.593 N/A ARG 368.A NH1 ASN 407.A OD1 no hydrogen 2.492 N/A SER 369.A OG PRO 367.A O no hydrogen 3.395 N/A TYR 371.A OH ASP 413.A OD2 no hydrogen 2.946 N/A THR 372.A N CYS 411.A O no hydrogen 3.179 N/A LYS 375.A NZ SER 373.A OG no hydrogen 2.693 N/A SER 377.A N LYS 375.A O no hydrogen 2.764 N/A SER 377.A OG LYS 375.A O no hydrogen 3.328 N/A THR 383.A OG1 SER 377.A O no hydrogen 3.137 N/A GLU 390.A N GLY 393.A O no hydrogen 3.290 N/A THR 396.A OG1 ILE 397.A O no hydrogen 3.285 N/A LEU 402.A N GLY 400.A O no hydrogen 2.739 N/A GLY 408.A N ALA 405.A O no hydrogen 3.278 N/A ILE 409.A N SER 369.A OG no hydrogen 2.463 N/A CYS 411.A N VAL 370.A O no hydrogen 3.054 N/A CYS 411.A SG VAL 370.A O no hydrogen 3.233 N/A ILE 412.A N LEU 453.A O no hydrogen 3.439 N/A GLU 414.A N ALA 455.A O no hydrogen 3.263 N/A LYS 417.A NZ LYS 417.A O no hydrogen 2.910 N/A SER 421.A OG ASP 419.A OD1 no hydrogen 2.292 N/A ASP 422.A N ASP 419.A OD2 no hydrogen 3.493 N/A ILE 426.A N ASP 422.A O no hydrogen 2.841 N/A GLU 428.A N VAL 424.A O no hydrogen 2.945 N/A ALA 429.A N ALA 425.A O no hydrogen 3.115 N/A GLN 432.A NE2 GLU 428.A O no hydrogen 3.367 N/A GLN 432.A NE2 GLU 428.A OE2 no hydrogen 2.372 N/A GLN 432.A NE2 THR 434.A O no hydrogen 2.387 N/A THR 434.A N GLN 432.A OE1 no hydrogen 2.942 N/A THR 434.A OG1 GLN 432.A OE1 no hydrogen 2.302 N/A ILE 435.A N LEU 446.A O no hydrogen 3.188 N/A ILE 437.A N ALA 444.A O no hydrogen 3.064 N/A ALA 444.A N ILE 437.A O no hydrogen 2.578 N/A THR 445.A OG1 THR 445.A O no hydrogen 2.572 N/A LEU 446.A N ILE 435.A O no hydrogen 3.388 N/A ARG 449.A NH1 ARG 449.A O no hydrogen 3.214 N/A SER 451.A OG THR 450.A O no hydrogen 2.859 N/A VAL 459.A N ASN 472.A OD1 no hydrogen 2.657 N/A ASN 464.A ND2 SER 468.A O no hydrogen 3.438 N/A ARG 470.A N SER 468.A OG no hydrogen 2.964 N/A ASN 472.A ND2 ASN 464.A OD1 no hydrogen 3.496 N/A MET 480.A N ALA 477.A O no hydrogen 3.088 N/A ARG 482.A N PRO 478.A O no hydrogen 3.015 N/A PHE 483.A N MET 480.A O no hydrogen 2.959 N/A ILE 489.A N VAL 348.A O no hydrogen 3.377 N/A LYS 496.A NZ ASN 494.A OD1 no hydrogen 2.877 N/A THR 499.A N ASP 498.A OD1 no hydrogen 2.620 N/A THR 499.A OG1 LYS 496.A O no hydrogen 2.933 N/A GLU 500.A N LYS 496.A O no hydrogen 3.481 N/A LEU 501.A N ILE 497.A O no hydrogen 3.193 N/A ALA 502.A N ASP 498.A O no hydrogen 2.740 N/A SER 503.A N THR 499.A O no hydrogen 2.841 N/A SER 503.A OG THR 499.A O no hydrogen 3.136 N/A SER 503.A OG GLU 500.A O no hydrogen 2.746 N/A HIS 504.A N GLU 500.A O no hydrogen 2.728 N/A ILE 505.A N LEU 501.A O no hydrogen 2.885 N/A ILE 505.A N ALA 502.A O no hydrogen 3.222 N/A VAL 506.A N ALA 502.A O no hydrogen 3.012 N/A LEU 508.A N ILE 505.A O no hydrogen 3.205 N/A GLN 524.A N SER 521.A OG no hydrogen 2.583 N/A GLN 524.A NE2 PRO 519.A O no hydrogen 3.621 N/A LEU 525.A N SER 521.A O no hydrogen 3.360 N/A ARG 526.A N ALA 522.A O no hydrogen 3.185 N/A ARG 526.A NE PHE 365.A O no hydrogen 3.274 N/A ARG 526.A NH2 PHE 365.A O no hydrogen 2.959 N/A ARG 527.A N GLU 523.A O no hydrogen 2.850 N/A ILE 529.A N LEU 525.A O no hydrogen 3.100 N/A LYS 530.A N ARG 526.A O no hydrogen 3.289 N/A TYR 531.A N ARG 527.A O no hydrogen 2.873 N/A ALA 532.A N TYR 528.A O no hydrogen 2.971 N/A ARG 533.A N ILE 529.A O no hydrogen 2.945 N/A THR 534.A OG1 THR 534.A O no hydrogen 2.384 N/A ARG 544.A NE LYS 541.A O no hydrogen 3.139 N/A ARG 544.A NH2 THR 540.A O no hydrogen 2.861 N/A ARG 544.A NH2 LYS 541.A O no hydrogen 3.111 N/A SER 545.A N GLU 542.A O no hydrogen 3.161 N/A SER 545.A OG GLU 542.A O no hydrogen 2.509 N/A LEU 547.A N ALA 543.A O no hydrogen 2.477 N/A VAL 548.A N ARG 544.A O no hydrogen 3.033 N/A LYS 550.A N LEU 547.A O no hydrogen 3.292 N/A LYS 550.A NZ TYR 546.A OH no hydrogen 2.560 N/A LYS 552.A N VAL 548.A O no hydrogen 3.190 N/A GLU 553.A N GLU 549.A O no hydrogen 2.615 N/A ARG 555.A N TYR 551.A O no hydrogen 2.773 N/A ASP 557.A N LEU 554.A O no hydrogen 3.085 N/A SER 563.A OG SER 563.A O no hydrogen 2.390 N/A ARG 564.A N GLY 561.A O no hydrogen 3.494 N/A TYR 567.A N SER 565.A OG no hydrogen 3.165 N/A ARG 568.A NE SER 565.A O no hydrogen 3.300 N/A ARG 568.A NH2 PHE 562.A O no hydrogen 3.408 N/A ILE 569.A N ASP 558.A OD2 no hydrogen 3.059 N/A VAL 571.A N THR 570.A OG1 no hydrogen 2.333 N/A GLN 573.A N THR 570.A O no hydrogen 3.029 N/A GLN 573.A NE2 THR 570.A O no hydrogen 3.481 N/A GLU 575.A N ARG 572.A O no hydrogen 3.215 N/A SER 576.A OG GLN 573.A O no hydrogen 3.170 N/A MET 577.A N GLN 573.A O no hydrogen 3.142 N/A ILE 578.A N LEU 574.A O no hydrogen 2.935 N/A ARG 579.A N GLU 575.A O no hydrogen 2.775 N/A ARG 579.A NE ASP 342.A O no hydrogen 2.505 N/A LEU 580.A N SER 576.A O no hydrogen 2.855 N/A SER 581.A N ILE 578.A O no hydrogen 2.855 N/A SER 581.A OG MET 577.A O no hydrogen 2.319 N/A GLU 582.A N ILE 578.A O no hydrogen 3.060 N/A ILE 584.A N LEU 580.A O no hydrogen 2.962 N/A ALA 585.A N SER 581.A O no hydrogen 3.430 N/A ARG 586.A N GLU 582.A O no hydrogen 2.946 N/A ARG 586.A NE GLY 327.A O no hydrogen 2.842 N/A ARG 586.A NH1 ARG 533.A O no hydrogen 2.507 N/A ARG 586.A NH2 GLY 327.A O no hydrogen 2.604 N/A ARG 586.A NH2 ARG 533.A O no hydrogen 3.457 N/A ALA 587.A N ILE 584.A O no hydrogen 3.263 N/A VAL 590.A N ALA 585.A O no hydrogen 3.234 N/A GLU 592.A N GLU 592.A OE1 no hydrogen 2.773 N/A PHE 597.A N THR 594.A OG1 no hydrogen 2.593 N/A TYR 602.A N ILE 598.A O no hydrogen 3.062 N/A TYR 602.A OH LYS 550.A O no hydrogen 2.686 N/A ASP 603.A N ALA 599.A O no hydrogen 3.213 N/A LEU 604.A N GLU 600.A O no hydrogen 3.084 N/A LEU 605.A N TYR 602.A O no hydrogen 2.777 N/A ARG 606.A N TYR 602.A O no hydrogen 2.559 N/A GLN 607.A N ASP 603.A O no hydrogen 2.932 N/A SER 608.A N LEU 604.A O no hydrogen 3.195 N/A SER 608.A OG LEU 605.A O no hydrogen 2.745 N/A ILE 609.A N LEU 605.A O no hydrogen 2.714 N/A ILE 610.A N ARG 606.A O no hydrogen 3.006 N/A ARG 611.A N GLN 607.A O no hydrogen 3.374 N/A VAL 612.A N SER 608.A O no hydrogen 2.671 N/A ASP 613.A N ILE 609.A O no hydrogen 2.780 N/A