Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7bu8_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N HIS 144.A NE2 no hydrogen 3.096 N/A ARG 2.A NH2 ARG 2.A O no hydrogen 3.454 N/A SER 7.A OG SER 7.A O no hydrogen 2.464 N/A ASN 8.A ND2 GLY 28.A O no hydrogen 2.969 N/A ASP 10.A N CYS 30.A O no hydrogen 2.920 N/A VAL 12.A N THR 32.A O no hydrogen 2.817 N/A GLY 14.A N MET 34.A O no hydrogen 3.035 N/A THR 19.A OG1 GLY 18.A O no hydrogen 2.631 N/A THR 19.A OG1 ASP 296.A OD1 no hydrogen 2.314 N/A VAL 21.A N LEU 293.A O no hydrogen 2.994 N/A ASP 22.A N SER 433.A OG no hydrogen 3.167 N/A VAL 23.A N CYS 291.A O no hydrogen 2.857 N/A HIS 27.A N GLY 287.A O no hydrogen 3.144 N/A VAL 31.A N ILE 43.A O no hydrogen 2.978 N/A THR 32.A N ASP 10.A O no hydrogen 2.837 N/A THR 32.A OG1 ASP 42.A OD1 no hydrogen 2.569 N/A VAL 33.A N VAL 41.A O no hydrogen 2.897 N/A MET 34.A N VAL 12.A O no hydrogen 3.007 N/A THR 40.A OG1 ILE 359.A O no hydrogen 2.447 N/A VAL 41.A N VAL 33.A O no hydrogen 2.970 N/A ASP 42.A N SER 142.A O no hydrogen 2.441 N/A ILE 43.A N VAL 31.A O no hydrogen 2.871 N/A VAL 46.A N ARG 138.A O no hydrogen 3.016 N/A THR 48.A OG1 HIS 27.A NE2 no hydrogen 2.829 N/A THR 49.A N GLU 136.A O no hydrogen 3.126 N/A THR 49.A OG1 GLU 136.A O no hydrogen 3.434 N/A VAL 50.A N GLY 282.A O no hydrogen 2.883 N/A SER 51.A N ASN 134.A O no hydrogen 3.127 N/A SER 51.A OG ASN 134.A O no hydrogen 3.038 N/A ASN 52.A N ASN 134.A OD1 no hydrogen 3.260 N/A ASN 52.A ND2 ASN 134.A OD1 no hydrogen 3.675 N/A SER 58.A OG MET 125.A O no hydrogen 3.238 N/A SER 58.A OG THR 126.A O no hydrogen 3.437 N/A TYR 59.A OH PHE 218.A O no hydrogen 2.448 N/A CYS 60.A N PRO 224.A O no hydrogen 3.167 N/A CYS 60.A SG LYS 123.A O no hydrogen 3.955 N/A TYR 61.A N LYS 123.A O no hydrogen 3.287 N/A SER 64.A N ALA 120.A O no hydrogen 2.765 N/A SER 64.A OG ALA 120.A O no hydrogen 3.444 N/A ALA 69.A N CYS 116.A O no hydrogen 2.647 N/A SER 70.A OG ALA 69.A O no hydrogen 2.483 N/A SER 70.A OG THR 115.A OG1 no hydrogen 2.915 N/A ASP 71.A N VAL 114.A O no hydrogen 2.988 N/A ARG 73.A N SER 112.A O no hydrogen 3.074 N/A ARG 73.A NE GLN 77.A O no hydrogen 2.817 N/A ARG 73.A NH2 GLN 77.A O no hydrogen 2.734 N/A CYS 74.A SG GLN 77.A OE1 no hydrogen 3.554 N/A TYR 81.A N ASP 71.A OD2 no hydrogen 3.197 N/A GLN 85.A N LEU 82.A O no hydrogen 2.945 N/A SER 86.A N ASP 83.A O no hydrogen 2.955 N/A SER 86.A OG ASP 83.A O no hydrogen 2.657 N/A SER 86.A OG ASP 83.A OD1 no hydrogen 2.937 N/A ASP 87.A N LYS 84.A O no hydrogen 3.007 N/A THR 88.A OG1 ASP 87.A O no hydrogen 2.601 N/A VAL 91.A N ALA 117.A O no hydrogen 2.832 N/A ARG 94.A NE ALA 80.A O no hydrogen 3.146 N/A THR 95.A N LEU 113.A O no hydrogen 2.889 N/A THR 95.A OG1 GLN 253.A OE1 no hydrogen 2.761 N/A VAL 97.A N GLY 111.A O no hydrogen 2.877 N/A ASN 103.A N GLY 100.A O no hydrogen 3.230 N/A ASN 103.A ND2 ASN 103.A O no hydrogen 2.952 N/A GLY 104.A N TRP 101.A O no hydrogen 3.303 N/A GLY 109.A N ARG 99.A O no hydrogen 3.108 N/A GLY 111.A N VAL 97.A O no hydrogen 2.874 N/A SER 112.A OG GLY 78.A O no hydrogen 3.464 N/A LEU 113.A N THR 95.A O no hydrogen 2.867 N/A VAL 114.A N ASP 71.A O no hydrogen 2.938 N/A THR 115.A N LYS 93.A O no hydrogen 3.207 N/A THR 115.A OG1 ALA 69.A O no hydrogen 3.096 N/A THR 115.A OG1 SER 70.A OG no hydrogen 2.915 N/A CYS 116.A N ALA 69.A O no hydrogen 2.839 N/A ALA 117.A N VAL 91.A O no hydrogen 3.043 N/A LYS 118.A N SER 66.A O no hydrogen 2.823 N/A ALA 120.A N SER 64.A O no hydrogen 3.131 N/A CYS 121.A SG LYS 123.A O no hydrogen 3.250 N/A SER 122.A N GLU 62.A O no hydrogen 3.178 N/A SER 122.A OG GLU 62.A O no hydrogen 3.048 N/A LYS 123.A NZ GLU 62.A OE1 no hydrogen 2.869 N/A MET 125.A N TYR 59.A O no hydrogen 3.253 N/A THR 126.A N THR 205.A OG1 no hydrogen 3.429 N/A THR 126.A OG1 THR 205.A OG1 no hydrogen 2.846 N/A LYS 128.A NZ THR 126.A OG1 no hydrogen 2.685 N/A SER 129.A N ALA 54.A O no hydrogen 2.661 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.833 N/A GLU 136.A N THR 49.A O no hydrogen 3.193 N/A TYR 137.A N ILE 169.A O no hydrogen 2.894 N/A ARG 138.A N THR 47.A O no hydrogen 3.179 N/A ILE 139.A N VAL 167.A O no hydrogen 2.883 N/A LEU 141.A N ALA 165.A O no hydrogen 2.857 N/A SER 142.A N ASP 42.A O no hydrogen 2.893 N/A SER 142.A OG ILE 1.A O no hydrogen 2.459 N/A VAL 143.A N ASN 163.A O no hydrogen 2.935 N/A HIS 144.A N THR 40.A O no hydrogen 2.981 N/A SER 146.A OG SER 146.A O no hydrogen 2.638 N/A GLN 147.A NE2 ASN 163.A OD1 no hydrogen 3.344 N/A HIS 148.A N GLN 147.A OE1 no hydrogen 3.420 N/A ILE 152.A N GLY 150.A O no hydrogen 2.807 N/A HIS 158.A N ASN 154.A O no hydrogen 3.227 N/A GLU 159.A N ASP 155.A O no hydrogen 2.727 N/A THR 160.A OG1 THR 156.A O no hydrogen 2.952 N/A ASP 161.A N GLY 157.A O no hydrogen 2.781 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.780 N/A ALA 165.A N LEU 141.A O no hydrogen 2.982 N/A VAL 167.A N ILE 139.A O no hydrogen 2.864 N/A ILE 169.A N TYR 137.A O no hydrogen 2.922 N/A THR 170.A OG1 LEU 135.A O no hydrogen 2.849 N/A SER 173.A OG SER 173.A O no hydrogen 2.467 N/A ALA 178.A N LEU 186.A O no hydrogen 2.887 N/A LEU 180.A N GLY 184.A O no hydrogen 2.995 N/A GLY 184.A N LEU 180.A O no hydrogen 2.751 N/A SER 185.A N LYS 297.A O no hydrogen 2.656 N/A SER 185.A OG GLU 177.A OE2 no hydrogen 2.607 N/A LEU 186.A N ALA 178.A O no hydrogen 2.935 N/A GLY 187.A N LYS 294.A O no hydrogen 2.980 N/A LEU 188.A N ALA 176.A O no hydrogen 2.890 N/A ASP 189.A N ARG 292.A O no hydrogen 2.830 N/A GLU 191.A N LYS 290.A O no hydrogen 2.930 N/A THR 194.A OG1 THR 194.A O no hydrogen 2.414 N/A TYR 202.A N VAL 213.A O no hydrogen 2.802 N/A TYR 203.A OH GLU 276.A O no hydrogen 2.864 N/A LEU 204.A N TRP 211.A O no hydrogen 2.859 N/A THR 205.A OG1 THR 126.A OG1 no hydrogen 2.846 N/A MET 206.A N LYS 209.A O no hydrogen 2.901 N/A TRP 211.A N LEU 204.A O no hydrogen 2.848 N/A LEU 212.A N LEU 273.A O no hydrogen 2.874 N/A VAL 213.A N TYR 202.A O no hydrogen 2.912 N/A LYS 215.A N ASP 200.A O no hydrogen 2.769 N/A LYS 215.A NZ SER 199.A O no hydrogen 3.406 N/A LYS 215.A NZ ASP 200.A OD1 no hydrogen 2.809 N/A PHE 218.A N HIS 214.A O no hydrogen 2.858 N/A HIS 219.A N LYS 215.A O no hydrogen 2.947 N/A ASP 220.A N TRP 217.A O no hydrogen 3.076 N/A LEU 223.A N ILE 221.A O no hydrogen 2.994 N/A ASN 237.A N TRP 225.A O no hydrogen 2.936 N/A LYS 239.A NZ THR 88.A O no hydrogen 3.092 N/A GLU 244.A N VAL 256.A O no hydrogen 2.924 N/A LYS 246.A N THR 254.A O no hydrogen 2.919 N/A ALA 248.A N ARG 252.A O no hydrogen 2.950 N/A LYS 251.A NZ HIS 249.A NE2 no hydrogen 3.413 N/A THR 254.A N LYS 246.A O no hydrogen 2.820 N/A THR 254.A OG1 LYS 246.A O no hydrogen 2.846 N/A LEU 258.A N LEU 242.A O no hydrogen 3.166 N/A VAL 265.A N GLN 261.A O no hydrogen 2.957 N/A HIS 266.A N GLU 262.A O no hydrogen 3.014 N/A THR 267.A N GLY 263.A O no hydrogen 2.936 N/A THR 267.A OG1 GLY 263.A O no hydrogen 3.378 N/A THR 267.A OG1 ALA 264.A O no hydrogen 2.735 N/A ALA 268.A N ALA 264.A O no hydrogen 2.905 N/A LEU 269.A N VAL 265.A O no hydrogen 2.887 N/A LEU 269.A N HIS 266.A O no hydrogen 3.337 N/A ALA 272.A N LEU 269.A O no hydrogen 3.256 N/A ALA 275.A N HIS 210.A O no hydrogen 2.869 N/A GLU 276.A N ARG 283.A O no hydrogen 2.885 N/A ASP 278.A N LYS 281.A O no hydrogen 2.876 N/A ALA 280.A N ASP 278.A O no hydrogen 2.680 N/A LYS 281.A N ASP 278.A O no hydrogen 2.916 N/A LYS 281.A NZ THR 49.A OG1 no hydrogen 3.127 N/A GLY 282.A N VAL 50.A O no hydrogen 2.861 N/A ARG 283.A N GLU 276.A O no hydrogen 2.839 N/A LEU 284.A N THR 48.A O no hydrogen 2.481 N/A LEU 289.A N LEU 25.A O no hydrogen 2.882 N/A LYS 290.A NZ GLU 191.A OE2 no hydrogen 3.175 N/A CYS 291.A N VAL 23.A O no hydrogen 2.883 N/A CYS 291.A SG ARG 292.A O no hydrogen 3.260 N/A ARG 292.A N ASP 189.A O no hydrogen 2.898 N/A ARG 292.A NH1 GLU 191.A OE2 no hydrogen 3.231 N/A LYS 294.A N GLY 187.A O no hydrogen 2.852 N/A LYS 294.A NZ ASP 189.A OD1 no hydrogen 3.189 N/A ARG 299.A N PHE 183.A O no hydrogen 2.580 N/A ARG 299.A NH1 GLY 182.A O no hydrogen 3.320 N/A CYS 308.A N LYS 340.A O no hydrogen 3.334 N/A CYS 308.A SG LYS 340.A O no hydrogen 3.197 N/A THR 313.A OG1 GLN 331.A O no hydrogen 3.567 N/A THR 313.A OG1 GLN 331.A OE1 no hydrogen 3.570 N/A THR 315.A N GLU 329.A O no hydrogen 2.993 N/A THR 315.A OG1 GLU 329.A O no hydrogen 3.455 N/A LYS 316.A NZ THR 315.A OG1 no hydrogen 3.259 N/A THR 321.A N THR 325.A O no hydrogen 3.357 N/A THR 321.A OG1 LEU 322.A O no hydrogen 2.515 N/A THR 321.A OG1 THR 325.A O no hydrogen 3.463 N/A VAL 326.A N LEU 378.A O no hydrogen 2.846 N/A THR 327.A OG1 ALA 319.A O no hydrogen 3.262 N/A THR 327.A OG1 THR 327.A O no hydrogen 2.503 N/A VAL 328.A N LEU 376.A O no hydrogen 2.843 N/A VAL 330.A N MET 374.A O no hydrogen 2.918 N/A GLN 331.A N PHE 312.A O no hydrogen 3.419 N/A TYR 332.A N SER 372.A O no hydrogen 2.970 N/A ALA 333.A N ALA 311.A O no hydrogen 3.163 N/A THR 335.A OG1 GLU 367.A O no hydrogen 3.486 N/A GLY 337.A N ASP 336.A OD1 no hydrogen 2.785 N/A CYS 339.A N GLY 337.A O no hydrogen 2.634 N/A CYS 339.A SG ASP 336.A OD1 no hydrogen 3.783 N/A CYS 339.A SG GLY 337.A O no hydrogen 3.338 N/A LYS 340.A N SER 306.A O no hydrogen 2.664 N/A VAL 341.A N PRO 363.A O no hydrogen 2.900 N/A GLN 344.A N VAL 388.A O no hydrogen 2.888 N/A ALA 346.A N TYR 386.A O no hydrogen 2.924 N/A THR 351.A OG1 GLN 350.A OE1 no hydrogen 2.852 N/A THR 353.A N THR 351.A O no hydrogen 2.361 N/A THR 353.A OG1 GLN 350.A O no hydrogen 2.662 N/A VAL 355.A N MET 345.A O no hydrogen 2.954 N/A ILE 359.A N GLU 377.A O no hydrogen 2.905 N/A THR 360.A N GLU 377.A O no hydrogen 3.433 N/A THR 360.A OG1 GLU 377.A OE1 no hydrogen 2.389 N/A ILE 365.A N CYS 339.A O no hydrogen 3.458 N/A SER 368.A OG GLU 367.A O no hydrogen 2.696 N/A SER 368.A OG GLU 370.A O no hydrogen 2.421 N/A THR 369.A N GLU 367.A O no hydrogen 2.761 N/A THR 369.A OG1 SER 368.A O no hydrogen 2.684 N/A GLU 370.A N SER 368.A OG no hydrogen 3.026 N/A SER 372.A N GLU 370.A O no hydrogen 2.539 N/A MET 374.A N VAL 330.A O no hydrogen 2.893 N/A MET 375.A N GLN 147.A O no hydrogen 3.271 N/A LEU 376.A N VAL 328.A O no hydrogen 2.858 N/A GLU 377.A N THR 360.A OG1 no hydrogen 3.051 N/A LEU 378.A N VAL 326.A O no hydrogen 2.955 N/A ASP 379.A N ARG 357.A O no hydrogen 2.950 N/A SER 385.A N TRP 400.A O no hydrogen 2.882 N/A SER 385.A OG ALA 346.A O no hydrogen 3.514 N/A TYR 386.A N ALA 346.A O no hydrogen 2.879 N/A ILE 387.A N HIS 398.A O no hydrogen 2.851 N/A VAL 388.A N GLN 344.A O no hydrogen 2.945 N/A LYS 395.A NZ THR 397.A OG1 no hydrogen 2.819 N/A HIS 398.A N ILE 387.A O no hydrogen 3.031 N/A HIS 398.A ND1 HIS 399.A O no hydrogen 2.610 N/A HIS 399.A NE2 ASP 384.A OD2 no hydrogen 3.085 N/A TRP 400.A N SER 385.A O no hydrogen 2.894 N/A ARG 402.A NH1 HIS 323.A O no hydrogen 2.702 N/A ARG 402.A NH2 HIS 323.A O no hydrogen 3.552 N/A LYS 409.A N SER 405.A O no hydrogen 3.244 N/A ALA 410.A N THR 406.A O no hydrogen 2.993 N/A PHE 411.A N ILE 407.A O no hydrogen 2.966 N/A GLU 412.A N GLY 408.A O no hydrogen 2.915 N/A ALA 413.A N LYS 409.A O no hydrogen 2.848 N/A THR 414.A N ALA 410.A O no hydrogen 2.905 N/A THR 414.A OG1 ALA 410.A O no hydrogen 2.696 N/A VAL 415.A N PHE 411.A O no hydrogen 2.980 N/A ARG 416.A N GLU 412.A O no hydrogen 2.963 N/A ARG 416.A NH1 ASP 10.A OD1 no hydrogen 2.450 N/A GLY 417.A N ALA 413.A O no hydrogen 2.895 N/A ALA 418.A N THR 414.A O no hydrogen 2.883 N/A LYS 419.A N VAL 415.A O no hydrogen 2.961 N/A ARG 420.A N ARG 416.A O no hydrogen 2.884 N/A MET 421.A N GLY 417.A O no hydrogen 2.863 N/A ALA 422.A N ALA 418.A O no hydrogen 2.916 N/A VAL 423.A N LYS 419.A O no hydrogen 3.025 N/A THR 427.A N LEU 424.A O no hydrogen 3.228 N/A ASP 430.A N THR 427.A O no hydrogen 3.216 N/A PHE 431.A N ALA 428.A O no hydrogen 3.080 N/A SER 433.A OG ASP 22.A OD1 no hydrogen 2.734 N/A GLY 442.A N LEU 438.A O no hydrogen 2.919 N/A LYS 443.A N ASN 439.A O no hydrogen 2.882 N/A GLY 444.A N SER 440.A O no hydrogen 2.914 N/A ILE 445.A N LEU 441.A O no hydrogen 2.961 N/A HIS 446.A N GLY 442.A O no hydrogen 2.932 N/A GLN 447.A N LYS 443.A O no hydrogen 2.794 N/A ILE 448.A N GLY 444.A O no hydrogen 3.002 N/A PHE 449.A N ILE 445.A O no hydrogen 2.946 N/A GLY 450.A N HIS 446.A O no hydrogen 2.850 N/A ALA 451.A N GLN 447.A O no hydrogen 2.908 N/A ALA 452.A N ILE 448.A O no hydrogen 2.988 N/A PHE 453.A N PHE 449.A O no hydrogen 2.881 N/A LYS 454.A N GLY 450.A O no hydrogen 2.880 N/A SER 455.A N ALA 451.A O no hydrogen 2.925 N/A SER 455.A OG ALA 451.A O no hydrogen 3.310 N/A SER 455.A OG ALA 452.A O no hydrogen 2.721 N/A LEU 456.A N ALA 452.A O no hydrogen 2.972 N/A PHE 457.A N PHE 453.A O no hydrogen 2.860 N/A TRP 462.A NE1 SER 499.A O no hydrogen 2.553 N/A SER 464.A OG SER 461.A O no hydrogen 2.494 N/A GLN 465.A N SER 461.A O no hydrogen 3.042 N/A ILE 466.A N TRP 462.A O no hydrogen 2.992 N/A LEU 467.A N PHE 463.A O no hydrogen 2.971 N/A ILE 468.A N SER 464.A O no hydrogen 2.944 N/A GLY 469.A N GLN 465.A O no hydrogen 2.737 N/A THR 470.A N ILE 466.A O no hydrogen 2.918 N/A THR 470.A OG1 ILE 466.A O no hydrogen 2.903 N/A THR 470.A OG1 LEU 467.A O no hydrogen 2.786 N/A LEU 471.A N LEU 467.A O no hydrogen 2.982 N/A LEU 472.A N ILE 468.A O no hydrogen 2.919 N/A MET 473.A N GLY 469.A O no hydrogen 2.883 N/A TRP 474.A N THR 470.A O no hydrogen 2.941 N/A LEU 475.A N LEU 471.A O no hydrogen 3.086 N/A GLY 476.A N LEU 472.A O no hydrogen 2.884 N/A LEU 477.A N TRP 474.A O no hydrogen 3.250 N/A ASN 478.A N LEU 475.A O no hydrogen 3.015 N/A MET 487.A N SER 483.A O no hydrogen 2.671 N/A CYS 488.A N ILE 484.A O no hydrogen 2.914 N/A CYS 488.A SG LEU 472.A O no hydrogen 3.257 N/A LEU 489.A N SER 485.A O no hydrogen 2.870 N/A ALA 490.A N LEU 486.A O no hydrogen 2.918 N/A LEU 491.A N MET 487.A O no hydrogen 2.935 N/A GLY 492.A N CYS 488.A O no hydrogen 2.922 N/A GLY 493.A N LEU 489.A O no hydrogen 2.912 N/A VAL 494.A N ALA 490.A O no hydrogen 2.920 N/A LEU 495.A N LEU 491.A O no hydrogen 2.967 N/A ILE 496.A N GLY 492.A O no hydrogen 2.957 N/A PHE 497.A N GLY 493.A O no hydrogen 2.901 N/A LEU 498.A N VAL 494.A O no hydrogen 2.895 N/A SER 499.A N LEU 495.A O no hydrogen 2.973 N/A SER 499.A OG LEU 495.A O no hydrogen 3.520 N/A SER 499.A OG ILE 496.A O no hydrogen 2.352 N/A THR 500.A N ILE 496.A O no hydrogen 2.968 N/A THR 500.A OG1 ILE 496.A O no hydrogen 3.312 N/A THR 500.A OG1 PHE 497.A O no hydrogen 2.784 N/A ALA 501.A N PHE 497.A O no hydrogen 3.077 N/A