Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8e99_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLY 62.A O no hydrogen 3.119 N/A VAL 4.A N LEU 35.A O no hydrogen 2.796 N/A PHE 6.A N VAL 37.A O no hydrogen 3.125 N/A SER 8.A OG SER 8.A O no hydrogen 2.502 N/A SER 9.A OG SER 8.A O no hydrogen 2.680 N/A GLN 13.A N SER 9.A O no hydrogen 2.769 N/A GLN 13.A N GLY 10.A O no hydrogen 2.803 N/A PHE 16.A N PRO 12.A O no hydrogen 2.850 N/A ARG 17.A N GLN 13.A O no hydrogen 2.862 N/A ALA 18.A N ALA 14.A O no hydrogen 2.938 N/A ARG 19.A N GLN 15.A O no hydrogen 2.878 N/A LEU 20.A N PHE 16.A O no hydrogen 2.887 N/A THR 21.A N ARG 17.A O no hydrogen 2.938 N/A THR 21.A OG1 ARG 17.A O no hydrogen 3.491 N/A THR 21.A OG1 ALA 18.A O no hydrogen 2.346 N/A LEU 30.A N LEU 28.A O no hydrogen 2.713 N/A VAL 37.A N VAL 4.A O no hydrogen 2.985 N/A ASN 43.A N SER 46.A OG no hydrogen 3.117 N/A SER 46.A OG THR 41.A O no hydrogen 3.391 N/A SER 46.A OG ASN 43.A O no hydrogen 2.642 N/A LEU 47.A N ASN 43.A O no hydrogen 2.960 N/A LEU 48.A N PRO 44.A O no hydrogen 2.909 N/A THR 49.A N SER 45.A O no hydrogen 2.971 N/A THR 49.A OG1 SER 45.A O no hydrogen 2.926 N/A THR 49.A OG1 SER 46.A O no hydrogen 2.860 N/A GLN 50.A N SER 46.A O no hydrogen 2.905 N/A ILE 51.A N LEU 47.A O no hydrogen 2.883 N/A CYS 52.A N LEU 48.A O no hydrogen 3.035 N/A CYS 52.A SG LEU 48.A O no hydrogen 3.707 N/A GLY 53.A N THR 49.A O no hydrogen 2.972 N/A LEU 55.A N ILE 51.A O no hydrogen 2.901 N/A GLY 56.A N CYS 52.A O no hydrogen 2.902 N/A ALA 57.A N LEU 54.A O no hydrogen 3.295 N/A HIS 61.A N THR 1.A O no hydrogen 3.111 N/A GLY 62.A N THR 1.A O no hydrogen 3.407 N/A VAL 64.A N ALA 3.A O no hydrogen 3.291 N/A PHE 65.A N LEU 90.A O no hydrogen 2.682 N/A ASP 79.A N ALA 75.A O no hydrogen 2.909 N/A PHE 80.A N GLN 76.A O no hydrogen 2.906 N/A ILE 81.A N ILE 77.A O no hydrogen 2.931 N/A SER 82.A N LEU 78.A O no hydrogen 2.899 N/A SER 82.A OG ALA 108.A O no hydrogen 3.559 N/A SER 83.A N ASP 79.A O no hydrogen 2.908 N/A SER 83.A OG ASP 79.A O no hydrogen 3.418 N/A SER 83.A OG PHE 80.A O no hydrogen 2.498 N/A GLN 84.A N PHE 80.A O no hydrogen 2.901 N/A THR 85.A N ILE 81.A O no hydrogen 2.913 N/A THR 85.A OG1 ILE 81.A O no hydrogen 3.321 N/A HIS 86.A N SER 82.A O no hydrogen 2.942 N/A SER 91.A OG SER 96.A OG no hydrogen 3.147 N/A SER 96.A OG SER 91.A OG no hydrogen 3.147 N/A SER 96.A OG SER 93.A O no hydrogen 3.001 N/A ALA 97.A N GLY 94.A O no hydrogen 2.807 N/A LYS 103.A N THR 101.A O no hydrogen 2.925 N/A ALA 108.A N SER 82.A OG no hydrogen 3.135 N/A GLN 119.A N SER 115.A O no hydrogen 2.602 N/A LEU 120.A N GLU 117.A O no hydrogen 3.138 N/A GLN 121.A N GLU 117.A O no hydrogen 2.949 N/A LEU 123.A N LEU 120.A O no hydrogen 3.127 N/A LYS 125.A N GLN 121.A O no hydrogen 2.952 N/A VAL 126.A N VAL 122.A O no hydrogen 2.899 N/A LEU 127.A N LEU 123.A O no hydrogen 2.870 N/A ASP 131.A N LEU 127.A O no hydrogen 3.215 N/A SER 133.A OG TRP 132.A O no hydrogen 2.707 N/A SER 133.A OG SER 133.A O no hydrogen 2.416 N/A ALA 136.A N VAL 193.A O no hydrogen 3.279 N/A VAL 137.A N ASP 167.A O no hydrogen 3.362 N/A ILE 138.A N VAL 195.A O no hydrogen 2.934 N/A THR 139.A N VAL 169.A O no hydrogen 3.059 N/A THR 139.A OG1 SER 140.A O no hydrogen 3.399 N/A SER 140.A OG TYR 197.A O no hydrogen 3.421 N/A HIS 142.A N SER 140.A O no hydrogen 2.978 N/A HIS 145.A N HIS 142.A O no hydrogen 3.278 N/A LEU 149.A N HIS 145.A O no hydrogen 2.948 N/A GLU 150.A N ALA 146.A O no hydrogen 3.193 N/A GLY 151.A N LEU 147.A O no hydrogen 2.883 N/A VAL 152.A N PHE 148.A O no hydrogen 2.967 N/A ARG 153.A N LEU 149.A O no hydrogen 2.933 N/A ALA 154.A N GLU 150.A O no hydrogen 2.904 N/A VAL 155.A N GLY 151.A O no hydrogen 2.927 N/A ALA 156.A N VAL 152.A O no hydrogen 2.940 N/A ALA 158.A N VAL 155.A O no hydrogen 3.218 N/A SER 159.A OG VAL 155.A O no hydrogen 2.568 N/A LEU 166.A N PHE 135.A O no hydrogen 3.360 N/A VAL 169.A N VAL 137.A O no hydrogen 3.035 N/A THR 170.A OG1 THR 139.A O no hydrogen 3.435 N/A LEU 171.A N THR 139.A O no hydrogen 3.367 N/A THR 182.A OG1 ARG 179.A O no hydrogen 2.811 N/A GLN 183.A N ARG 179.A O no hydrogen 2.842 N/A ARG 184.A N ALA 180.A O no hydrogen 2.927 N/A LEU 185.A N ARG 181.A O no hydrogen 3.456 N/A LEU 186.A N THR 182.A O no hydrogen 2.876 N/A ARG 187.A N GLN 183.A O no hydrogen 3.452 N/A GLN 188.A N LEU 185.A O no hydrogen 2.926 N/A PHE 194.A N VAL 221.A O no hydrogen 2.840 N/A VAL 195.A N ALA 136.A O no hydrogen 3.281 N/A ALA 196.A N LEU 223.A O no hydrogen 2.837 N/A TYR 197.A N ILE 138.A O no hydrogen 3.351 N/A CYS 198.A SG SER 199.A O no hydrogen 3.263 N/A ALA 203.A N SER 199.A O no hydrogen 2.555 N/A GLU 204.A N ARG 200.A O no hydrogen 2.909 N/A VAL 205.A N GLU 201.A O no hydrogen 2.952 N/A LEU 206.A N GLU 202.A O no hydrogen 2.909 N/A PHE 207.A N ALA 203.A O no hydrogen 2.892 N/A ALA 208.A N GLU 204.A O no hydrogen 2.935 N/A GLU 209.A N VAL 205.A O no hydrogen 2.939 N/A ALA 210.A N LEU 206.A O no hydrogen 2.895 N/A ALA 211.A N PHE 207.A O no hydrogen 2.910 N/A GLN 212.A N ALA 208.A O no hydrogen 2.898 N/A ALA 213.A N GLU 209.A O no hydrogen 2.919 N/A LEU 215.A N ALA 210.A O no hydrogen 3.118 N/A VAL 221.A N PRO 192.A O no hydrogen 3.240 N/A LEU 223.A N PHE 194.A O no hydrogen 2.831 N/A VAL 224.A N ILE 244.A O no hydrogen 3.177 N/A SER 231.A OG ALA 234.A O no hydrogen 3.142 N/A THR 232.A OG1 GLY 230.A O no hydrogen 3.500 N/A ASP 233.A N SER 231.A OG no hydrogen 3.061 N/A ALA 234.A N SER 231.A OG no hydrogen 2.619 N/A THR 238.A OG1 ALA 237.A O no hydrogen 2.433 N/A ILE 244.A N TRP 222.A O no hydrogen 3.382 N/A SER 245.A N ILE 331.A O no hydrogen 3.229 N/A SER 245.A OG VAL 224.A O no hydrogen 3.148 N/A VAL 247.A N VAL 329.A O no hydrogen 3.404 N/A SER 250.A OG GLU 249.A O no hydrogen 2.618 N/A LEU 253.A N SER 250.A O no hydrogen 3.172 N/A GLN 257.A N SER 254.A OG no hydrogen 3.024 N/A LYS 258.A N SER 254.A O no hydrogen 3.031 N/A VAL 259.A N LEU 255.A O no hydrogen 2.910 N/A ARG 260.A N ARG 256.A O no hydrogen 2.923 N/A ASP 261.A N GLN 257.A O no hydrogen 2.882 N/A GLY 262.A N LYS 258.A O no hydrogen 2.951 N/A VAL 263.A N VAL 259.A O no hydrogen 2.926 N/A ALA 264.A N ARG 260.A O no hydrogen 2.854 N/A ILE 265.A N ASP 261.A O no hydrogen 2.891 N/A LEU 266.A N GLY 262.A O no hydrogen 3.028 N/A ALA 267.A N VAL 263.A O no hydrogen 2.868 N/A LEU 268.A N ALA 264.A O no hydrogen 2.861 N/A GLY 269.A N ILE 265.A O no hydrogen 2.971 N/A ALA 270.A N LEU 266.A O no hydrogen 2.957 N/A HIS 271.A N ALA 267.A O no hydrogen 2.838 N/A SER 272.A N LEU 268.A O no hydrogen 2.927 N/A SER 272.A OG LEU 268.A O no hydrogen 3.502 N/A TYR 273.A N GLY 269.A O no hydrogen 2.927 N/A TRP 274.A N ALA 270.A O no hydrogen 2.946 N/A GLN 276.A N TYR 273.A O no hydrogen 2.696 N/A HIS 277.A N TYR 273.A O no hydrogen 3.336 N/A GLY 278.A N TRP 274.A O no hydrogen 2.819 N/A GLU 299.A N SER 295.A O no hydrogen 3.135 N/A ALA 300.A N PRO 296.A O no hydrogen 2.875 N/A PHE 301.A N ALA 297.A O no hydrogen 2.936 N/A TYR 302.A N ARG 298.A O no hydrogen 2.889 N/A ARG 303.A N GLU 299.A O no hydrogen 2.887 N/A HIS 304.A N ALA 300.A O no hydrogen 2.886 N/A LEU 305.A N TYR 302.A O no hydrogen 3.189 N/A LEU 306.A N ARG 303.A O no hydrogen 3.305 N/A TRP 310.A N THR 309.A OG1 no hydrogen 2.609 N/A PHE 317.A N LEU 306.A O no hydrogen 3.406 N/A SER 318.A N TYR 322.A O no hydrogen 3.266 N/A SER 318.A OG GLY 320.A O no hydrogen 2.928 N/A SER 318.A OG TYR 322.A O no hydrogen 3.283 N/A TYR 322.A N GLY 320.A O no hydrogen 2.622 N/A VAL 324.A N SER 316.A O no hydrogen 2.822 N/A VAL 329.A N VAL 247.A O no hydrogen 3.059 N/A VAL 330.A N GLY 343.A O no hydrogen 2.572 N/A ILE 331.A N SER 245.A O no hydrogen 3.043 N/A ALA 332.A N GLU 340.A O no hydrogen 3.338 N/A ASN 334.A N LEU 338.A O no hydrogen 2.753 N/A ARG 337.A N ASN 334.A O no hydrogen 3.327 N/A GLU 340.A N ALA 332.A O no hydrogen 3.240 N/A VAL 342.A N VAL 330.A O no hydrogen 2.939 N/A LEU 373.A N SER 433.A O no hydrogen 3.035 N/A VAL 375.A N ASP 435.A O no hydrogen 3.492 N/A ALA 376.A N MET 466.A O no hydrogen 2.942 N/A THR 377.A OG1 LEU 378.A O no hydrogen 3.439 N/A VAL 384.A N ARG 381.A O no hydrogen 2.985 N/A ILE 385.A N LYS 416.A O no hydrogen 2.722 N/A GLU 387.A N CYS 414.A O no hydrogen 3.471 N/A ASP 390.A N GLY 395.A O no hydrogen 2.598 N/A THR 393.A OG1 THR 393.A O no hydrogen 2.504 N/A GLY 395.A N ASP 390.A O no hydrogen 3.183 N/A VAL 401.A N CYS 415.A O no hydrogen 3.407 N/A CYS 403.A N LEU 413.A O no hydrogen 2.675 N/A LEU 413.A N CYS 403.A O no hydrogen 3.194 N/A CYS 415.A N VAL 401.A O no hydrogen 2.877 N/A LYS 416.A N ILE 385.A O no hydrogen 2.900 N/A PHE 418.A N PRO 382.A O no hydrogen 3.449 N/A CYS 419.A N PHE 383.A O no hydrogen 3.036 N/A ASP 421.A N GLY 417.A O no hydrogen 3.124 N/A ILE 422.A N PHE 418.A O no hydrogen 2.948 N/A LEU 423.A N CYS 419.A O no hydrogen 2.924 N/A LYS 424.A N ILE 420.A O no hydrogen 2.924 N/A LYS 425.A N ASP 421.A O no hydrogen 2.921 N/A LEU 426.A N ILE 422.A O no hydrogen 2.905 N/A ALA 427.A N LEU 423.A O no hydrogen 2.941 N/A LYS 431.A N ALA 427.A O no hydrogen 2.951 N/A ASP 435.A N LEU 373.A O no hydrogen 3.486 N/A LEU 438.A N ARG 404.A O no hydrogen 2.949 N/A VAL 439.A N THR 377.A O no hydrogen 3.231 N/A VAL 451.A N VAL 448.A O no hydrogen 2.990 N/A GLY 457.A N ASN 453.A O no hydrogen 3.101 N/A GLU 458.A N GLY 454.A O no hydrogen 2.884 N/A VAL 459.A N MET 455.A O no hydrogen 2.918 N/A TYR 460.A N ILE 456.A O no hydrogen 2.908 N/A TYR 461.A N GLY 457.A O no hydrogen 3.323 N/A ARG 463.A N GLU 458.A O no hydrogen 3.138 N/A ASP 465.A N THR 374.A O no hydrogen 2.686 N/A MET 466.A N THR 374.A O no hydrogen 2.860 N/A ARG 477.A N ASN 474.A OD1 no hydrogen 2.962 N/A ARG 477.A NE THR 472.A O no hydrogen 3.322 N/A ARG 477.A NH2 THR 472.A O no hydrogen 3.116 N/A ARG 477.A NH2 SER 526.A OG no hydrogen 2.881 N/A SER 478.A N ASN 474.A O no hydrogen 3.265 N/A ILE 480.A N ARG 477.A O no hydrogen 3.388 N/A SER 484.A N ILE 600.A O no hydrogen 3.258 N/A PHE 487.A N TYR 598.A O no hydrogen 3.381 N/A THR 490.A N THR 596.A O no hydrogen 2.808 N/A ILE 492.A N PHE 593.A O no hydrogen 3.030 N/A SER 493.A N TYR 567.A O no hydrogen 3.252 N/A SER 493.A OG VAL 494.A O no hydrogen 3.533 N/A MET 495.A N PHE 565.A O no hydrogen 2.537 N/A ASP 504.A N GLY 501.A O no hydrogen 3.195 N/A GLN 508.A N ASP 504.A O no hydrogen 2.795 N/A ARG 509.A N LYS 505.A O no hydrogen 2.665 N/A GLN 511.A N ARG 509.A O no hydrogen 2.903 N/A THR 521.A N ILE 566.A O no hydrogen 3.472 N/A THR 521.A OG1 GLY 520.A O no hydrogen 2.403 N/A GLU 528.A N GLY 525.A O no hydrogen 3.073 N/A ILE 531.A N THR 527.A O no hydrogen 2.931 N/A ARG 532.A N GLU 528.A O no hydrogen 2.906 N/A SER 533.A N ARG 529.A O no hydrogen 2.881 N/A SER 533.A OG ARG 529.A O no hydrogen 3.103 N/A SER 533.A OG ASN 530.A O no hydrogen 2.773 N/A ASN 534.A N ASN 530.A O no hydrogen 2.946 N/A ASN 534.A ND2 ASN 534.A O no hydrogen 2.432 N/A TYR 535.A N ILE 531.A O no hydrogen 3.180 N/A HIS 539.A N TYR 535.A O no hydrogen 3.354 N/A THR 540.A N ARG 536.A O no hydrogen 2.928 N/A THR 540.A OG1 ARG 536.A O no hydrogen 3.302 N/A THR 540.A OG1 ASP 537.A O no hydrogen 2.558 N/A HIS 541.A N ASP 537.A O no hydrogen 2.910 N/A MET 542.A N HIS 539.A O no hydrogen 3.409 N/A PHE 545.A N VAL 543.A O no hydrogen 2.918 N/A GLU 551.A N SER 549.A OG no hydrogen 3.052 N/A THR 555.A N GLU 551.A O no hydrogen 3.353 N/A THR 555.A OG1 ASP 552.A O no hydrogen 2.689 N/A SER 556.A N ASP 552.A O no hydrogen 2.907 N/A LEU 557.A N ALA 553.A O no hydrogen 2.893 N/A LYS 558.A N LEU 554.A O no hydrogen 2.906 N/A MET 559.A N THR 555.A O no hydrogen 2.898 N/A MET 559.A N SER 556.A O no hydrogen 3.046 N/A GLY 560.A N SER 556.A O no hydrogen 2.795 N/A LYS 561.A N SER 556.A O no hydrogen 3.301 N/A ALA 564.A N ARG 518.A O no hydrogen 2.841 N/A PHE 565.A N MET 495.A O no hydrogen 2.657 N/A ASN 573.A N ALA 569.A O no hydrogen 2.927 N/A MET 575.A N VAL 571.A O no hydrogen 2.882 N/A ALA 576.A N LEU 572.A O no hydrogen 3.119 N/A GLY 577.A N TYR 574.A O no hydrogen 2.603 N/A CYS 582.A SG GLY 581.A O no hydrogen 3.220 N/A LYS 591.A N GLY 588.A O no hydrogen 2.836 N/A PHE 593.A N ILE 492.A O no hydrogen 3.310 N/A THR 596.A N THR 490.A O no hydrogen 2.887 N/A THR 596.A OG1 ALA 594.A O no hydrogen 3.130 N/A MET 602.A N ASP 482.A O no hydrogen 3.192 N/A TRP 608.A N SER 606.A OG no hydrogen 2.965 N/A LYS 609.A N SER 606.A O no hydrogen 3.073 N/A ALA 611.A N HIS 607.A O no hydrogen 2.972 N/A ILE 612.A N TRP 608.A O no hydrogen 2.868 N/A ASP 613.A N LYS 609.A O no hydrogen 2.929 N/A LEU 614.A N ARG 610.A O no hydrogen 2.954 N/A ALA 615.A N ALA 611.A O no hydrogen 2.951 N/A LEU 616.A N ILE 612.A O no hydrogen 2.878 N/A LEU 617.A N ASP 613.A O no hydrogen 2.930 N/A GLN 618.A N LEU 614.A O no hydrogen 2.958 N/A PHE 619.A N ALA 615.A O no hydrogen 2.916 N/A LEU 620.A N LEU 616.A O no hydrogen 2.888 N/A GLY 621.A N LEU 617.A O no hydrogen 2.914 N/A ASP 622.A N GLN 618.A O no hydrogen 2.952 N/A ASP 622.A N PHE 619.A O no hydrogen 3.024 N/A GLY 623.A N PHE 619.A O no hydrogen 3.406 N/A LEU 628.A N GLU 624.A O no hydrogen 2.940 N/A GLU 629.A N THR 625.A O no hydrogen 2.877 N/A THR 630.A N GLN 626.A O no hydrogen 2.899 N/A VAL 631.A N LYS 627.A O no hydrogen 2.932 N/A TRP 632.A N LEU 628.A O no hydrogen 2.921 N/A LEU 633.A N GLU 629.A O no hydrogen 2.588 N/A SER 634.A OG THR 630.A O no hydrogen 3.542 N/A ILE 636.A N GLY 577.A O no hydrogen 2.715 N/A CYS 637.A N GLY 577.A O no hydrogen 2.996 N/A