Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7peq_AH.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N PHE 20.A O no hydrogen 2.880 N/A GLU 17.A N CYS 32.A O no hydrogen 2.580 N/A PHE 20.A N TYR 5.A O no hydrogen 2.769 N/A LYS 22.A N GLN 3.A O no hydrogen 3.080 N/A PRO 30.A N SER 19.A O no hydrogen 3.088 N/A CYS 32.A N GLU 17.A O no hydrogen 2.810 N/A ARG 39.A N ILE 35.A O no hydrogen 3.140 N/A SER 46.A N VAL 42.A O no hydrogen 3.396 N/A GLN 47.A N ASP 43.A O no hydrogen 2.904 N/A ILE 48.A N VAL 44.A O no hydrogen 2.902 N/A LEU 49.A N TYR 45.A O no hydrogen 2.901 N/A ARG 50.A N SER 46.A O no hydrogen 2.902 N/A LYS 51.A N GLN 47.A O no hydrogen 2.906 N/A LEU 52.A N ILE 48.A O no hydrogen 2.900 N/A PHE 53.A N LEU 49.A O no hydrogen 2.900 N/A ASN 54.A N ARG 50.A O no hydrogen 2.904 N/A GLU 55.A N LYS 51.A O no hydrogen 2.906 N/A SER 56.A N LEU 52.A O no hydrogen 2.894 N/A HIS 57.A N PHE 53.A O no hydrogen 2.904 N/A LEU 63.A N PHE 60.A O no hydrogen 3.197 N/A ARG 81.A N SER 77.A O no hydrogen 2.903 N/A VAL 82.A N GLN 78.A O no hydrogen 2.900 N/A SER 83.A N LEU 79.A O no hydrogen 2.902 N/A LYS 84.A N VAL 80.A O no hydrogen 2.903 N/A ASN 85.A N ARG 81.A O no hydrogen 2.901 N/A TYR 86.A N VAL 82.A O no hydrogen 2.901 N/A ARG 87.A N SER 83.A O no hydrogen 2.902 N/A SER 88.A N LYS 84.A O no hydrogen 2.902 N/A VAL 89.A N ASN 85.A O no hydrogen 2.902 N/A ILE 90.A N TYR 86.A O no hydrogen 2.902 N/A ARG 91.A N ARG 87.A O no hydrogen 2.902 N/A ALA 92.A N SER 88.A O no hydrogen 2.902 N/A CYS 93.A N VAL 89.A O no hydrogen 2.901 N/A MET 94.A N ILE 90.A O no hydrogen 2.902 N/A GLU 95.A N ARG 91.A O no hydrogen 2.904 N/A GLU 96.A N ALA 92.A O no hydrogen 2.902 N/A MET 97.A N CYS 93.A O no hydrogen 2.901 N/A HIS 98.A N MET 94.A O no hydrogen 2.902 N/A GLN 99.A N GLU 95.A O no hydrogen 2.906 N/A VAL 100.A N GLU 96.A O no hydrogen 2.900 N/A ALA 101.A N MET 97.A O no hydrogen 2.902 N/A ILE 102.A N HIS 98.A O no hydrogen 2.903 N/A ALA 103.A N GLN 99.A O no hydrogen 2.904 N/A ALA 104.A N VAL 100.A O no hydrogen 2.898 N/A LYS 105.A N ALA 101.A O no hydrogen 2.903 N/A PRO 107.A N ALA 104.A O no hydrogen 3.217 N/A SER 114.A N GLY 110.A O no hydrogen 2.903 N/A SER 115.A N ARG 111.A O no hydrogen 2.903 N/A GLN 116.A N GLN 112.A O no hydrogen 2.905 N/A VAL 117.A N PHE 113.A O no hydrogen 2.901 N/A SER 118.A N SER 114.A O no hydrogen 2.904 N/A ILE 119.A N SER 115.A O no hydrogen 2.902 N/A LEU 120.A N GLN 116.A O no hydrogen 2.900 N/A SER 121.A N VAL 117.A O no hydrogen 2.902 N/A ALA 122.A N SER 118.A O no hydrogen 2.904 N/A MET 123.A N ILE 119.A O no hydrogen 2.901 N/A GLU 124.A N LEU 120.A O no hydrogen 2.903 N/A LEU 125.A N SER 121.A O no hydrogen 2.906 N/A ILE 126.A N ALA 122.A O no hydrogen 2.902 N/A TRP 127.A N MET 123.A O no hydrogen 2.901 N/A ASN 128.A N GLU 124.A O no hydrogen 2.902 N/A LEU 129.A N LEU 125.A O no hydrogen 2.903 N/A CYS 130.A N ILE 126.A O no hydrogen 2.897 N/A ILE 132.A N CYS 130.A O no hydrogen 2.696 N/A LEU 144.A N ALA 140.A O no hydrogen 2.903 N/A LEU 145.A N GLY 141.A O no hydrogen 2.904 N/A HIS 146.A N PRO 142.A O no hydrogen 2.903 N/A LEU 147.A N LEU 143.A O no hydrogen 2.902 N/A LEU 148.A N LEU 144.A O no hydrogen 2.903 N/A ASP 149.A N LEU 145.A O no hydrogen 2.903 N/A TRP 150.A N HIS 146.A O no hydrogen 2.903 N/A VAL 151.A N LEU 147.A O no hydrogen 2.903 N/A ARG 152.A N LEU 148.A O no hydrogen 2.903 N/A LEU 153.A N ASP 149.A O no hydrogen 2.900 N/A HIS 154.A N TRP 150.A O no hydrogen 2.901 N/A ASP 164.A N LEU 161.A O no hydrogen 3.300 N/A VAL 165.A N LEU 161.A O no hydrogen 2.902 N/A LEU 166.A N SER 162.A O no hydrogen 3.164 N/A ASN 179.A N ASP 175.A O no hydrogen 2.902 N/A LEU 180.A N SER 176.A O no hydrogen 2.903 N/A VAL 181.A N PHE 177.A O no hydrogen 2.903 N/A THR 182.A N TRP 178.A O no hydrogen 2.901 N/A ILE 183.A N ASN 179.A O no hydrogen 2.903 N/A LEU 184.A N LEU 180.A O no hydrogen 3.158 N/A VAL 185.A N VAL 181.A O no hydrogen 2.901 N/A LEU 186.A N THR 182.A O no hydrogen 2.900 N/A ARG 189.A N LEU 184.A O no hydrogen 3.166 N/A ALA 193.A N ARG 189.A O no hydrogen 3.314 N/A ARG 194.A N LEU 190.A O no hydrogen 2.903 N/A GLN 195.A N ASP 191.A O no hydrogen 2.902 N/A MET 196.A N GLU 192.A O no hydrogen 2.903 N/A LEU 197.A N ALA 193.A O no hydrogen 3.303 N/A SER 207.A N PRO 205.A O no hydrogen 2.430 N/A CYS 211.A N SER 207.A O no hydrogen 2.901 N/A ARG 212.A N ALA 208.A O no hydrogen 2.906 N/A ILE 213.A N GLY 209.A O no hydrogen 2.899 N/A MET 214.A N ILE 210.A O no hydrogen 2.904 N/A GLY 215.A N CYS 211.A O no hydrogen 3.085 N/A ASP 216.A N ARG 212.A O no hydrogen 2.906 N/A LEU 217.A N ILE 213.A O no hydrogen 2.901 N/A MET 218.A N MET 214.A O no hydrogen 2.904 N/A ARG 219.A N GLY 215.A O no hydrogen 2.902 N/A THR 220.A N ASP 216.A O no hydrogen 2.906 N/A GLU 234.A N GLN 230.A O no hydrogen 2.904 N/A LEU 235.A N THR 231.A O no hydrogen 2.900 N/A GLU 236.A N LEU 232.A O no hydrogen 2.902 N/A LEU 237.A N THR 233.A O no hydrogen 2.903 N/A LYS 238.A N GLU 234.A O no hydrogen 2.898 N/A HIS 241.A N LEU 237.A O no hydrogen 2.910 N/A TRP 242.A N LYS 238.A O no hydrogen 2.892 N/A HIS 243.A N TRP 239.A O no hydrogen 2.905 N/A GLU 244.A N GLN 240.A O no hydrogen 2.903 N/A GLU 245.A N HIS 241.A O no hydrogen 2.905 N/A CYS 246.A N TRP 242.A O no hydrogen 2.897 N/A GLU 247.A N HIS 243.A O no hydrogen 2.903 N/A ARG 248.A N GLU 244.A O no hydrogen 2.904 N/A TYR 249.A N GLU 245.A O no hydrogen 2.902 N/A LEU 250.A N CYS 246.A O no hydrogen 2.900 N/A GLN 251.A N GLU 247.A O no hydrogen 2.900 N/A ASP 252.A N ARG 248.A O no hydrogen 2.906 N/A GLU 262.A N SER 258.A O no hydrogen 2.903 N/A LEU 264.A N HIS 260.A O no hydrogen 2.907 N/A LEU 265.A N LEU 261.A O no hydrogen 2.902 N/A LYS 266.A N GLU 262.A O no hydrogen 2.898 N/A ILE 267.A N SER 263.A O no hydrogen 2.907 N/A MET 268.A N LEU 264.A O no hydrogen 2.902 N/A LEU 269.A N LEU 265.A O no hydrogen 2.898 N/A ASP 271.A N LYS 266.A O no hydrogen 3.345 N/A LEU 289.A N TRP 285.A O no hydrogen 2.903 N/A VAL 290.A N TYR 286.A O no hydrogen 2.904 N/A THR 291.A N HIS 287.A O no hydrogen 2.901 N/A ARG 292.A N PHE 288.A O no hydrogen 2.900 N/A LEU 293.A N LEU 289.A O no hydrogen 2.905 N/A LEU 294.A N VAL 290.A O no hydrogen 2.905 N/A TYR 295.A N THR 291.A O no hydrogen 2.897 N/A SER 296.A N ARG 292.A O no hydrogen 2.903 N/A HIS 306.A N ILE 303.A O no hydrogen 3.277 N/A TYR 307.A N ILE 303.A O no hydrogen 2.904 N/A LEU 315.A N SER 311.A O no hydrogen 2.903 N/A PHE 316.A N SER 312.A O no hydrogen 2.902 N/A LEU 317.A N LEU 313.A O no hydrogen 2.902 N/A GLY 318.A N ASP 314.A O no hydrogen 2.902 N/A GLY 319.A N LEU 315.A O no hydrogen 2.903 N/A GLU 320.A N PHE 316.A O no hydrogen 2.902 N/A SER 321.A N LEU 317.A O no hydrogen 2.904 N/A LEU 330.A N LEU 326.A O no hydrogen 2.904 N/A LEU 331.A N ASP 327.A O no hydrogen 2.901 N/A ALA 332.A N ASN 328.A O no hydrogen 2.901 N/A ALA 333.A N ILE 329.A O no hydrogen 2.902 N/A PHE 334.A N LEU 330.A O no hydrogen 2.902 N/A CYS 345.A N VAL 341.A O no hydrogen 2.901 N/A SER 346.A N ILE 342.A O no hydrogen 2.905 N/A ALA 356.A N TRP 352.A O no hydrogen 2.907 N/A HIS 357.A N TRP 353.A O no hydrogen 2.897 N/A LEU 358.A N PHE 354.A O no hydrogen 2.905 N/A THR 359.A N VAL 355.A O no hydrogen 2.905 N/A ASP 360.A N ALA 356.A O no hydrogen 2.904 N/A LEU 361.A N HIS 357.A O no hydrogen 2.899 N/A LEU 362.A N LEU 358.A O no hydrogen 2.906 N/A ASP 363.A N THR 359.A O no hydrogen 2.904 N/A HIS 364.A N ASP 360.A O no hydrogen 2.900 N/A CYS 365.A N LEU 361.A O no hydrogen 2.901 N/A LEU 367.A N LEU 362.A O no hydrogen 3.080 N/A PHE 382.A N ASN 378.A O no hydrogen 3.336 N/A LEU 383.A N MET 379.A O no hydrogen 2.903 N/A LEU 384.A N ARG 380.A O no hydrogen 2.902 N/A LEU 385.A N GLU 381.A O no hydrogen 2.903 N/A GLU 386.A N PHE 382.A O no hydrogen 2.903 N/A TYR 387.A N LEU 383.A O no hydrogen 2.904 N/A ALA 388.A N LEU 384.A O no hydrogen 2.902 N/A SER 389.A N LEU 385.A O no hydrogen 2.903 N/A GLY 390.A N GLU 386.A O no hydrogen 2.900 N/A LEU 391.A N TYR 387.A O no hydrogen 2.904 N/A PHE 392.A N GLY 390.A O no hydrogen 2.951 N/A VAL 402.A N TRP 398.A O no hydrogen 2.903 N/A ASP 403.A N GLN 399.A O no hydrogen 2.902 N/A TYR 404.A N LEU 400.A O no hydrogen 2.902 N/A PHE 405.A N GLY 401.A O no hydrogen 2.903 N/A SER 415.A N LEU 411.A O no hydrogen 3.477 N/A LEU 416.A N GLY 412.A O no hydrogen 2.895 N/A GLU 417.A N ARG 413.A O no hydrogen 2.909 N/A LEU 418.A N VAL 414.A O no hydrogen 2.900 N/A HIS 419.A N SER 415.A O no hydrogen 2.900 N/A ILE 420.A N LEU 416.A O no hydrogen 2.899 N/A GLU 421.A N GLU 417.A O no hydrogen 2.905 N/A LEU 425.A N ILE 423.A O no hydrogen 2.797 N/A LEU 432.A N GLU 428.A O no hydrogen 2.904 N/A LYS 433.A N GLN 429.A O no hydrogen 2.902 N/A VAL 434.A N LYS 430.A O no hydrogen 2.902 N/A LEU 435.A N ALA 431.A O no hydrogen 2.902 N/A ARG 436.A N LEU 432.A O no hydrogen 2.901 N/A ILE 437.A N LYS 433.A O no hydrogen 2.900 N/A CYS 438.A N VAL 434.A O no hydrogen 2.902 N/A GLU 439.A N LEU 435.A O no hydrogen 3.220 N/A ARG 448.A N THR 444.A O no hydrogen 3.388 N/A SER 449.A N GLU 445.A O no hydrogen 2.902 N/A ILE 450.A N GLN 446.A O no hydrogen 2.903 N/A CYS 451.A N VAL 447.A O no hydrogen 2.902 N/A LYS 452.A N ARG 448.A O no hydrogen 2.902 N/A ILE 453.A N SER 449.A O no hydrogen 2.904 N/A LEU 454.A N ILE 450.A O no hydrogen 2.903 N/A ALA 455.A N CYS 451.A O no hydrogen 2.900 N/A MET 456.A N LYS 452.A O no hydrogen 2.902 N/A LYS 457.A N ILE 453.A O no hydrogen 2.905 N/A ALA 458.A N LEU 454.A O no hydrogen 2.898 N/A VAL 459.A N ALA 455.A O no hydrogen 2.902 N/A ASN 461.A N ALA 458.A O no hydrogen 3.301 N/A ALA 467.A N ARG 463.A O no hydrogen 3.293 N/A SER 471.A N ALA 467.A O no hydrogen 2.901 N/A ILE 472.A N LEU 468.A O no hydrogen 2.903 N/A THR 481.A N ALA 477.A O no hydrogen 2.907 N/A LEU 482.A N ALA 478.A O no hydrogen 3.168 N/A VAL 483.A N PHE 479.A O no hydrogen 2.903 N/A SER 484.A N ALA 480.A O no hydrogen 2.903 N/A ASP 485.A N THR 481.A O no hydrogen 2.902 N/A ARG 486.A N LEU 482.A O no hydrogen 2.903 N/A PHE 487.A N VAL 483.A O no hydrogen 2.905 N/A LEU 488.A N SER 484.A O no hydrogen 2.903 N/A ARG 489.A N ASP 485.A O no hydrogen 2.901 N/A ASP 490.A N ARG 486.A O no hydrogen 2.901 N/A TYR 491.A N PHE 487.A O no hydrogen 2.903 N/A CYS 492.A N LEU 488.A O no hydrogen 3.335 N/A SER 513.A N MET 510.A O no hydrogen 3.230 N/A ASP 514.A N MET 510.A O no hydrogen 2.902 N/A LEU 516.A N SER 513.A O no hydrogen 3.483 N/A GLY 520.A N LEU 516.A O no hydrogen 3.451 N/A LYS 521.A N THR 517.A O no hydrogen 2.902 N/A TYR 522.A N PHE 518.A O no hydrogen 2.904 N/A ARG 523.A N LEU 519.A O no hydrogen 2.902 N/A GLU 524.A N GLY 520.A O no hydrogen 2.903 N/A PHE 525.A N LYS 521.A O no hydrogen 2.902 N/A HIS 526.A N TYR 522.A O no hydrogen 2.901 N/A ARG 527.A N ARG 523.A O no hydrogen 2.903 N/A MET 528.A N GLU 524.A O no hydrogen 3.166 N/A ARG 533.A N GLY 530.A O no hydrogen 3.105 N/A ASP 536.A N LYS 532.A O no hydrogen 2.906 N/A ALA 537.A N ARG 533.A O no hydrogen 2.900 N/A ALA 538.A N PHE 534.A O no hydrogen 2.902 N/A SER 539.A N ALA 535.A O no hydrogen 2.902 N/A LEU 540.A N ASP 536.A O no hydrogen 2.904 N/A LEU 541.A N ALA 537.A O no hydrogen 2.901 N/A LEU 542.A N ALA 538.A O no hydrogen 2.903 N/A SER 543.A N SER 539.A O no hydrogen 2.902 N/A LEU 544.A N LEU 540.A O no hydrogen 2.902 N/A MET 545.A N LEU 541.A O no hydrogen 2.900 N/A THR 546.A N LEU 542.A O no hydrogen 2.906 N/A SER 547.A N LEU 544.A O no hydrogen 3.487 N/A LEU 558.A N PHE 554.A O no hydrogen 2.900 N/A LEU 559.A N TRP 555.A O no hydrogen 2.906 N/A THR 560.A N MET 556.A O no hydrogen 2.902 N/A ASP 561.A N THR 557.A O no hydrogen 2.902 N/A ALA 562.A N LEU 558.A O no hydrogen 2.899 N/A LEU 563.A N LEU 559.A O no hydrogen 2.906 N/A PRO 564.A N THR 560.A O no hydrogen 3.292 N/A LEU 566.A N LEU 563.A O no hydrogen 3.485 N/A LEU 581.A N GLN 577.A O no hydrogen 2.897 N/A MET 582.A N THR 578.A O no hydrogen 2.911 N/A ARG 583.A N TYR 579.A O no hydrogen 2.898 N/A CYS 584.A N GLU 580.A O no hydrogen 2.902 N/A LEU 585.A N LEU 581.A O no hydrogen 2.903 N/A GLU 586.A N MET 582.A O no hydrogen 2.906 N/A ASP 587.A N ARG 583.A O no hydrogen 2.899 N/A LEU 588.A N CYS 584.A O no hydrogen 2.898 N/A THR 589.A N LEU 585.A O no hydrogen 3.173 N/A GLU 614.A N THR 610.A O no hydrogen 2.903 N/A MET 615.A N THR 611.A O no hydrogen 2.903 N/A LEU 616.A N LYS 612.A O no hydrogen 2.898 N/A ARG 617.A N VAL 613.A O no hydrogen 2.901 N/A LEU 618.A N GLU 614.A O no hydrogen 2.907 N/A SER 619.A N MET 615.A O no hydrogen 2.899 N/A LEU 620.A N LEU 616.A O no hydrogen 2.898 N/A ALA 621.A N ARG 617.A O no hydrogen 2.904 N/A ARG 622.A N LEU 618.A O no hydrogen 2.906 N/A ASN 623.A N SER 619.A O no hydrogen 2.900 N/A LEU 624.A N LEU 620.A O no hydrogen 2.900 N/A ALA 625.A N ALA 621.A O no hydrogen 2.904 N/A ARG 626.A N ARG 622.A O no hydrogen 2.906 N/A