Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7tpq_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ARG 76.A O no hydrogen 2.980 N/A ALA 2.A N ARG 38.A O no hydrogen 2.784 N/A SER 7.A OG THR 31.A OG1 no hydrogen 2.308 N/A SER 7.A OG TYR 32.A O no hydrogen 2.948 N/A TRP 8.A NE1 GLY 227.A O no hydrogen 2.746 N/A ASP 9.A N ASP 9.A OD1 no hydrogen 2.486 N/A TYR 10.A N THR 30.A O no hydrogen 3.246 N/A GLU 12.A N TYR 10.A O no hydrogen 2.597 N/A GLN 15.A N GLU 12.A O no hydrogen 3.165 N/A ARG 16.A N PHE 13.A O no hydrogen 3.355 N/A ARG 16.A NH1 ASP 24.A OD2 no hydrogen 2.495 N/A ARG 16.A NH2 ASP 24.A OD1 no hydrogen 3.032 N/A ARG 16.A NH2 ASP 24.A OD2 no hydrogen 3.003 N/A SER 23.A OG ASP 22.A OD1 no hydrogen 3.023 N/A THR 31.A N ASP 29.A OD1 no hydrogen 3.276 N/A THR 31.A OG1 SER 7.A OG no hydrogen 2.308 N/A THR 31.A OG1 TRP 8.A O no hydrogen 3.197 N/A TYR 32.A N TRP 8.A O no hydrogen 2.604 N/A LYS 34.A NZ LYS 33.A O no hydrogen 3.318 N/A VAL 35.A N SER 159.A O no hydrogen 3.227 N/A VAL 36.A N GLU 4.A O no hydrogen 3.291 N/A ARG 38.A NH1 ASP 49.A O no hydrogen 2.406 N/A ARG 38.A NH2 ASP 49.A O no hydrogen 3.013 N/A LYS 39.A NZ TYR 40.A O no hydrogen 2.808 N/A THR 46.A OG1 PHE 45.A O no hydrogen 2.520 N/A LYS 47.A NZ ARG 48.A O no hydrogen 3.406 N/A ASP 49.A N LYS 39.A O no hydrogen 2.626 N/A ARG 51.A NH1 PHE 37.A O no hydrogen 3.021 N/A GLU 56.A N TYR 54.A O no hydrogen 2.824 N/A HIS 57.A ND1 VAL 187.A O no hydrogen 2.792 N/A HIS 57.A NE2 PRO 233.A O no hydrogen 3.071 N/A LEU 61.A N LEU 58.A O no hydrogen 2.681 N/A GLN 74.A N GLN 74.A OE1 no hydrogen 2.762 N/A ASN 79.A ND2 VAL 117.A O no hydrogen 3.486 N/A ALA 81.A N ASN 79.A OD1 no hydrogen 3.253 N/A TYR 85.A OH TYR 200.A OH no hydrogen 2.199 N/A HIS 88.A N TYR 148.A O no hydrogen 2.417 N/A HIS 90.A ND1 ALA 146.A O no hydrogen 3.185 N/A TYR 94.A OH HIS 88.A NE2 no hydrogen 2.817 N/A LYS 96.A NZ LYS 101.A O no hydrogen 3.405 N/A LYS 96.A NZ GLU 104.A O no hydrogen 3.041 N/A SER 98.A N GLU 95.A O no hydrogen 3.420 N/A SER 98.A OG VAL 126.A O no hydrogen 3.254 N/A THR 102.A OG1 ALA 150.A O no hydrogen 3.201 N/A TYR 103.A OH GLU 99.A OE1 no hydrogen 2.566 N/A TYR 103.A OH GLU 99.A OE2 no hydrogen 3.051 N/A ASN 115.A N LYS 112.A O no hydrogen 3.156 N/A ASN 115.A ND2 GLY 100.A O no hydrogen 2.345 N/A ALA 116.A N GLU 113.A O no hydrogen 2.997 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.651 N/A ASN 120.A N ASN 79.A O no hydrogen 2.736 N/A SER 121.A OG GLN 118.A O no hydrogen 2.537 N/A TYR 123.A N PHE 77.A O no hydrogen 3.138 N/A TRP 127.A NE1 TYR 125.A OH no hydrogen 2.592 N/A ARG 132.A NH1 GLY 91.A O no hydrogen 2.706 N/A SER 137.A OG GLY 270.A O no hydrogen 3.444 N/A SER 140.A OG CYS 142.A O no hydrogen 3.547 N/A CYS 142.A SG GLU 185.A OE1 no hydrogen 3.525 N/A ARG 143.A N ILE 167.A O no hydrogen 2.758 N/A TRP 145.A N LEU 165.A O no hydrogen 2.400 N/A TYR 147.A N GLY 163.A O no hydrogen 2.561 N/A TYR 148.A N HIS 88.A O no hydrogen 2.807 N/A SER 149.A OG ASP 156.A OD2 no hydrogen 3.055 N/A ALA 150.A N SER 149.A OG no hydrogen 2.542 N/A ASN 152.A N ASP 156.A OD2 no hydrogen 2.818 N/A GLU 154.A N ASN 152.A OD1 no hydrogen 2.916 N/A LYS 155.A N ASN 152.A OD1 no hydrogen 2.743 N/A HIS 158.A ND1 GLU 154.A O no hydrogen 2.597 N/A SER 159.A N ASP 156.A O no hydrogen 3.110 N/A SER 159.A OG LYS 155.A O no hydrogen 2.311 N/A LEU 161.A N ASP 156.A O no hydrogen 3.260 N/A LEU 165.A N TRP 145.A O no hydrogen 2.481 N/A CYS 168.A N GLU 68.A OE1 no hydrogen 3.049 N/A CYS 168.A N GLU 68.A OE2 no hydrogen 3.217 N/A CYS 168.A SG GLU 185.A OE1 no hydrogen 3.906 N/A LYS 170.A NZ VAL 69.A O no hydrogen 3.570 N/A SER 177.A N LYS 175.A O no hydrogen 2.974 N/A SER 177.A OG ASP 176.A O no hydrogen 2.443 N/A MET 179.A N ASP 176.A O no hydrogen 3.137 N/A PHE 186.A N ARG 244.A O no hydrogen 2.905 N/A LEU 188.A N HIS 246.A O no hydrogen 3.133 N/A THR 192.A OG1 GLU 221.A O no hydrogen 3.180 N/A THR 192.A OG1 PHE 222.A O no hydrogen 2.769 N/A PHE 193.A N PHE 222.A O no hydrogen 3.329 N/A GLU 195.A N HIS 220.A O no hydrogen 3.241 N/A LYS 196.A N ASP 194.A OD1 no hydrogen 3.083 N/A LYS 196.A NZ ASP 194.A OD1 no hydrogen 3.461 N/A SER 198.A OG GLU 195.A O no hydrogen 2.628 N/A TYR 200.A OH TYR 85.A OH no hydrogen 2.199 N/A LYS 204.A N GLU 202.A O no hydrogen 2.342 N/A SER 205.A OG SER 208.A O no hydrogen 3.497 N/A SER 207.A OG GLU 215.A OE1 no hydrogen 2.864 N/A SER 208.A OG GLU 215.A OE1 no hydrogen 2.319 N/A SER 208.A OG GLU 215.A OE2 no hydrogen 3.243 N/A THR 212.A N ARG 210.A O no hydrogen 2.932 N/A SER 213.A OG SER 219.A OG no hydrogen 3.316 N/A SER 214.A N SER 208.A OG no hydrogen 3.056 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.715 N/A LYS 218.A N THR 212.A O no hydrogen 3.246 N/A LYS 218.A NZ ASP 194.A OD2 no hydrogen 3.455 N/A SER 219.A N MET 216.A O no hydrogen 3.034 N/A GLU 221.A N LYS 218.A O no hydrogen 2.931 N/A ALA 224.A N PHE 222.A O no hydrogen 2.879 N/A MET 228.A N ILE 225.A O no hydrogen 2.983 N/A SER 231.A OG GLU 12.A OE1 no hydrogen 3.054 N/A SER 231.A OG ILE 229.A O no hydrogen 3.537 N/A MET 237.A N LEU 318.A O no hydrogen 3.246 N/A TYR 238.A N GLU 241.A OE2 no hydrogen 2.520 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.793 N/A LEU 245.A N LEU 289.A O no hydrogen 3.096 N/A HIS 246.A N PHE 186.A O no hydrogen 2.701 N/A HIS 246.A NE2 GLU 185.A OE1 no hydrogen 3.181 N/A LEU 247.A N LYS 287.A O no hydrogen 2.847 N/A LEU 248.A N LEU 188.A O no hydrogen 3.339 N/A SER 253.A N GLY 251.A O no hydrogen 2.659 N/A GLN 273.A N ASN 271.A OD1 no hydrogen 2.694 N/A HIS 274.A ND1 ASN 271.A OD1 no hydrogen 2.595 N/A GLY 277.A N GLN 275.A O no hydrogen 2.635 N/A GLY 284.A N ASN 249.A O no hydrogen 3.236 N/A LYS 287.A NZ PRO 280.A O no hydrogen 3.001 N/A THR 288.A OG1 LEU 245.A O no hydrogen 3.452 N/A LEU 289.A N LEU 245.A O no hydrogen 3.372 N/A MET 291.A N VAL 243.A O no hydrogen 3.222 N/A LYS 292.A NZ THR 265.A O no hydrogen 2.662 N/A LYS 292.A NZ THR 265.A OG1 no hydrogen 3.064 N/A SER 294.A OG GLY 263.A O no hydrogen 2.867 N/A LYS 295.A N SER 294.A OG no hydrogen 2.668 N/A TRP 299.A NE1 LYS 295.A O no hydrogen 2.560 N/A THR 303.A N GLN 309.A OE1 no hydrogen 2.471 N/A THR 303.A OG1 HIS 257.A ND1 no hydrogen 3.338 N/A THR 303.A OG1 GLN 309.A OE1 no hydrogen 2.536 N/A ASN 308.A ND2 HIS 223.A ND1 no hydrogen 3.139 N/A ARG 310.A NH2 GLN 314.A OE1 no hydrogen 3.033 N/A GLY 312.A N GLN 309.A O no hydrogen 3.476 N/A MET 313.A N ASN 308.A O no hydrogen 2.748 N/A THR 315.A OG1 SER 231.A O no hydrogen 2.860 N/A LEU 318.A N LEU 235.A O no hydrogen 2.975 N/A ILE 319.A N GLY 297.A O no hydrogen 3.316 N/A MET 320.A N MET 237.A O no hydrogen 2.940 N/A ARG 322.A NE ARG 322.A O no hydrogen 2.881 N/A ASP 323.A N ASP 321.A OD1 no hydrogen 3.072 N/A CYS 324.A SG ASP 321.A O no hydrogen 3.143 N/A ARG 325.A NH1 GLY 477.A O no hydrogen 3.016 N/A SER 331.A OG HIS 604.A NE2 no hydrogen 3.339 N/A GLY 333.A N HIS 604.A O no hydrogen 3.413 N/A ILE 334.A N THR 332.A OG1 no hydrogen 3.383 N/A SER 338.A OG GLN 339.A OE1 no hydrogen 3.012 N/A GLN 339.A NE2 SER 336.A O no hydrogen 2.808 N/A LYS 341.A N GLN 381.A O no hydrogen 3.026 N/A LYS 341.A NZ GLN 339.A O no hydrogen 2.563 N/A LYS 341.A NZ GLN 385.A OE1 no hydrogen 2.983 N/A SER 343.A OG LYS 377.A O no hydrogen 3.268 N/A SER 361.A OG SER 361.A O no hydrogen 2.549 N/A SER 366.A OG GLY 347.A O no hydrogen 2.420 N/A ILE 380.A N ILE 460.A O no hydrogen 2.466 N/A VAL 382.A N ILE 458.A O no hydrogen 2.384 N/A GLN 385.A N ASP 383.A OD1 no hydrogen 2.957 N/A ILE 393.A N ASN 447.A O no hydrogen 2.784 N/A THR 395.A N LYS 445.A O no hydrogen 2.487 N/A GLY 397.A N GLN 396.A OE1 no hydrogen 3.387 N/A CYS 405.A SG ARG 468.A O no hydrogen 3.130 N/A CYS 405.A SG THR 470.A OG1 no hydrogen 2.598 N/A TYR 411.A N SER 461.A O no hydrogen 3.185 N/A ALA 413.A N ARG 459.A O no hydrogen 2.496 N/A TYR 414.A N GLN 422.A O no hydrogen 3.389 N/A TYR 414.A OH GLU 53.A OE2 no hydrogen 2.491 N/A SER 415.A OG ASN 420.A O no hydrogen 2.376 N/A SER 415.A OG GLN 422.A OE1 no hydrogen 2.953 N/A GLN 418.A N SER 415.A OG no hydrogen 3.308 N/A ILE 419.A N ASN 417.A O no hydrogen 2.548 N/A ASN 420.A N ASN 417.A OD1 no hydrogen 3.303 N/A GLN 422.A NE2 ASN 417.A OD1 no hydrogen 3.600 N/A ILE 423.A N TRP 421.A O no hydrogen 2.889 N/A PHE 424.A N GLN 422.A O no hydrogen 2.873 N/A ASN 427.A N PHE 424.A O no hydrogen 3.138 N/A ARG 430.A NH2 ASP 176.A OD1 no hydrogen 3.400 N/A ASN 438.A N THR 407.A O no hydrogen 2.900 N/A SER 439.A N ASN 438.A OD1 no hydrogen 2.802 N/A LYS 445.A N THR 395.A O no hydrogen 3.092 N/A ASN 447.A N ILE 393.A O no hydrogen 2.568 N/A PHE 449.A N THR 391.A O no hydrogen 2.715 N/A ARG 456.A N SER 415.A O no hydrogen 3.371 N/A TYR 457.A N SER 415.A O no hydrogen 2.711 N/A ARG 459.A N ALA 413.A O no hydrogen 2.904 N/A ILE 460.A N ILE 380.A O no hydrogen 2.996 N/A SER 461.A N TYR 411.A O no hydrogen 3.158 N/A SER 461.A OG TYR 411.A OH no hydrogen 2.871 N/A THR 463.A OG1 GLU 409.A O no hydrogen 2.464 N/A ARG 464.A N THR 463.A OG1 no hydrogen 2.694 N/A THR 470.A OG1 ARG 468.A O no hydrogen 3.525 N/A ARG 472.A NH1 ASN 363.A OD1 no hydrogen 2.443 N/A GLU 474.A N GLN 394.A O no hydrogen 3.526 N/A GLN 476.A NE2 MET 326.A O no hydrogen 3.661 N/A GLN 476.A NE2 GLY 477.A O no hydrogen 2.859 N/A CYS 478.A SG CYS 324.A O no hydrogen 3.189 N/A CYS 478.A SG GLY 477.A O no hydrogen 3.164 N/A THR 485.A N GLY 637.A O no hydrogen 3.005 N/A THR 485.A OG1 CYS 483.A O no hydrogen 3.472 N/A GLU 490.A N GLU 490.A OE1 no hydrogen 2.514 N/A GLY 492.A N GLY 488.A O no hydrogen 3.371 N/A ILE 494.A N GLY 488.A O no hydrogen 3.012 N/A GLU 495.A N GLU 495.A OE1 no hydrogen 2.685 N/A GLN 498.A N GLU 495.A O no hydrogen 3.266 N/A ILE 499.A N GLU 495.A O no hydrogen 3.443 N/A THR 500.A N GLU 541.A O no hydrogen 3.069 N/A SER 503.A N SER 502.A OG no hydrogen 2.516 N/A LYS 506.A NZ SER 507.A O no hydrogen 3.546 N/A SER 507.A N ASP 511.A O no hydrogen 3.145 N/A SER 507.A OG ASP 511.A O no hydrogen 2.513 N/A TRP 513.A N LYS 505.A O no hydrogen 2.700 N/A ARG 519.A N ARG 517.A O no hydrogen 2.655 N/A ARG 519.A NH1 ALA 518.A O no hydrogen 2.953 N/A ASN 527.A ND2 ALA 522.A O no hydrogen 2.345 N/A TRP 529.A NE1 SER 502.A OG no hydrogen 2.737 N/A LYS 532.A N SER 503.A OG no hydrogen 2.746 N/A LYS 537.A N ASN 535.A OD1 no hydrogen 3.338 N/A GLN 538.A NE2 SER 502.A OG no hydrogen 3.012 N/A ILE 542.A N ILE 618.A O no hydrogen 2.736 N/A ASP 543.A N GLN 498.A O no hydrogen 3.051 N/A LEU 544.A N ARG 616.A O no hydrogen 2.490 N/A LEU 545.A N ASP 543.A OD1 no hydrogen 3.234 N/A LYS 546.A N LEU 544.A O no hydrogen 2.467 N/A LYS 546.A NZ ILE 547.A O no hydrogen 2.506 N/A LYS 546.A NZ ASP 639.A OD1 no hydrogen 3.308 N/A LYS 548.A NZ LEU 544.A O no hydrogen 3.360 N/A LYS 549.A NZ THR 551.A OG1 no hydrogen 3.107 N/A THR 551.A N PHE 636.A O no hydrogen 3.349 N/A THR 551.A OG1 PHE 609.A O no hydrogen 3.470 N/A ILE 554.A N GLU 634.A O no hydrogen 3.035 N/A THR 555.A OG1 ILE 554.A O no hydrogen 2.556 N/A SER 562.A OG SER 560.A O no hydrogen 3.522 N/A SER 563.A OG GLN 627.A OE1 no hydrogen 2.559 N/A TYR 566.A N ASN 626.A O no hydrogen 3.262 N/A TYR 566.A OH THR 599.A O no hydrogen 3.318 N/A SER 569.A OG PHE 595.A O no hydrogen 2.651 N/A SER 569.A OG GLU 596.A OE1 no hydrogen 3.092 N/A TYR 570.A N PHE 595.A O no hydrogen 3.204 N/A THR 571.A N ILE 621.A O no hydrogen 3.144 N/A THR 571.A OG1 ILE 621.A O no hydrogen 3.321 N/A HIS 573.A N ARG 619.A O no hydrogen 2.671 N/A TYR 574.A N LYS 582.A O no hydrogen 2.769 N/A SER 575.A N SER 615.A OG no hydrogen 2.633 N/A SER 575.A OG PHE 617.A O no hydrogen 3.260 N/A LYS 582.A NZ TYR 574.A OH no hydrogen 3.334 N/A TYR 584.A N ILE 572.A O no hydrogen 2.604 N/A TYR 584.A OH PRO 612.A O no hydrogen 2.534 N/A LEU 586.A N VAL 591.A O no hydrogen 2.455 N/A SER 589.A N LEU 586.A O no hydrogen 3.224 N/A LYS 593.A N TYR 584.A O no hydrogen 2.936 N/A LYS 593.A NZ ARG 585.A O no hydrogen 2.831 N/A GLY 597.A N LYS 568.A O no hydrogen 2.684 N/A ASN 598.A ND2 THR 601.A O no hydrogen 2.819 N/A LYS 602.A NZ GLY 557.A O no hydrogen 2.926 N/A LYS 602.A NZ GLU 564.A OE2 no hydrogen 3.444 N/A GLY 603.A N ASN 600.A OD1 no hydrogen 2.515 N/A PHE 609.A N THR 551.A O no hydrogen 2.814 N/A SER 615.A OG SER 575.A O no hydrogen 2.468 N/A SER 615.A OG ILE 614.A O no hydrogen 2.664 N/A ARG 616.A NE LEU 545.A O no hydrogen 2.681 N/A PHE 617.A N SER 575.A OG no hydrogen 3.227 N/A ARG 619.A N HIS 573.A O no hydrogen 3.011 N/A ILE 621.A N THR 571.A O no hydrogen 3.141 N/A LYS 623.A N SER 569.A O no hydrogen 2.744 N/A ASN 626.A N TYR 566.A O no hydrogen 2.712 N/A SER 628.A N ASN 626.A O no hydrogen 2.548 N/A GLU 634.A N ILE 554.A O no hydrogen 3.231 N/A