Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9avj_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 HIS 21.A O no hydrogen 3.319 N/A ARG 2.A NH1 GLU 74.A OE1 no hydrogen 2.877 N/A GLY 3.A N VAL 75.A O no hydrogen 2.951 N/A ARG 4.A N LYS 16.A O no hydrogen 3.065 N/A ARG 4.A NH1 GLU 18.A OE1 no hydrogen 2.612 N/A VAL 5.A N MET 73.A O no hydrogen 3.102 N/A ILE 6.A N ASP 14.A O no hydrogen 3.020 N/A GLN 7.A N ASP 14.A O no hydrogen 3.007 N/A MET 9.A N VAL 12.A O no hydrogen 3.110 N/A VAL 13.A N THR 60.A O no hydrogen 2.944 N/A ASP 14.A N GLN 7.A O no hydrogen 2.863 N/A VAL 15.A N VAL 58.A O no hydrogen 2.919 N/A LYS 16.A N ARG 4.A O no hydrogen 2.936 N/A LYS 16.A NZ ASP 55.A OD2 no hydrogen 3.142 N/A PHE 17.A N ASP 56.A O no hydrogen 2.771 N/A ASN 19.A ND2 ASN 19.A O no hydrogen 2.581 N/A ASN 27.A N ALA 24.A O no hydrogen 3.415 N/A ALA 28.A N ALA 80.A O no hydrogen 3.326 N/A LEU 29.A N LEU 47.A O no hydrogen 2.942 N/A LYS 30.A N ILE 76.A O no hydrogen 2.871 N/A ILE 31.A N LEU 45.A O no hydrogen 2.849 N/A HIS 33.A N ILE 43.A O no hydrogen 2.913 N/A ALA 35.A N ASP 42.A OD1 no hydrogen 2.419 N/A ARG 36.A N GLU 40.A OE1 no hydrogen 2.755 N/A ARG 36.A NE GLU 40.A OE2 no hydrogen 3.030 N/A ARG 36.A NH2 GLU 40.A OE2 no hydrogen 2.779 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.736 N/A ASN 39.A N ASN 37.A OD1 no hydrogen 2.945 N/A ASN 39.A ND2 ASN 37.A OD1 no hydrogen 2.836 N/A GLU 40.A N ASN 37.A O no hydrogen 3.254 N/A ILE 43.A N HIS 33.A O no hydrogen 2.914 N/A LEU 45.A N ILE 31.A O no hydrogen 2.933 N/A LEU 47.A N LEU 29.A O no hydrogen 2.867 N/A ALA 50.A N ARG 59.A O no hydrogen 2.919 N/A LEU 53.A N THR 57.A O no hydrogen 3.195 N/A VAL 58.A N VAL 15.A O no hydrogen 2.883 N/A ARG 59.A NE ASP 14.A OD1 no hydrogen 2.829 N/A ARG 59.A NH2 ASP 14.A OD2 no hydrogen 3.524 N/A THR 60.A N VAL 13.A O no hydrogen 2.875 N/A THR 60.A OG1 VAL 13.A O no hydrogen 3.189 N/A ILE 61.A N GLU 48.A O no hydrogen 2.905 N/A ALA 62.A N PRO 11.A O no hydrogen 2.852 N/A GLY 72.A N VAL 5.A O no hydrogen 3.244 N/A VAL 75.A N GLY 3.A O no hydrogen 2.849 N/A ILE 76.A N LYS 30.A O no hydrogen 2.914 N/A THR 78.A N ALA 28.A O no hydrogen 3.073 N/A THR 78.A OG1 ALA 28.A O no hydrogen 2.971 N/A SER 83.A OG PRO 81.A O no hydrogen 3.465 N/A VAL 84.A N ASP 115.A O no hydrogen 2.911 N/A VAL 86.A N ARG 113.A O no hydrogen 2.910 N/A THR 90.A N GLY 87.A O no hydrogen 3.413 N/A THR 90.A OG1 PRO 85.A O no hydrogen 2.568 N/A LEU 91.A N GLU 88.A O no hydrogen 3.408 N/A GLY 92.A N THR 210.A O no hydrogen 2.725 N/A ARG 93.A NH1 GLU 105.A OE1 no hydrogen 3.521 N/A ARG 93.A NH2 ASP 103.A OD1 no hydrogen 3.191 N/A ARG 93.A NH2 ASP 103.A OD2 no hydrogen 2.172 N/A ARG 93.A NH2 GLU 105.A OE1 no hydrogen 2.735 N/A PHE 95.A N MET 212.A O no hydrogen 2.887 N/A ASN 96.A N GLU 100.A O no hydrogen 2.926 N/A GLY 99.A N ASN 96.A O no hydrogen 3.073 N/A GLU 100.A N ASN 96.A OD1 no hydrogen 3.031 N/A ILE 102.A N VAL 94.A O no hydrogen 2.773 N/A GLU 105.A N ASP 103.A OD1 no hydrogen 2.933 N/A ASP 115.A N VAL 84.A O no hydrogen 2.902 N/A ILE 117.A N ILE 82.A O no hydrogen 3.110 N/A LYS 123.A N GLU 126.A OE2 no hydrogen 2.910 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.689 N/A ILE 133.A N GLU 132.A OE1 no hydrogen 2.598 N/A THR 136.A N ASP 142.A OD1 no hydrogen 3.022 N/A THR 136.A N ASP 142.A OD2 no hydrogen 2.799 N/A THR 136.A OG1 ASP 142.A OD1 no hydrogen 2.685 N/A THR 136.A OG1 ASP 142.A OD2 no hydrogen 3.496 N/A GLY 137.A N ASP 142.A OD2 no hydrogen 2.582 N/A ILE 138.A N THR 136.A OG1 no hydrogen 3.270 N/A LYS 139.A N GLN 411.A OE1 no hydrogen 2.923 N/A LYS 139.A NZ PHE 408.A O no hydrogen 2.369 N/A ASP 142.A N ILE 138.A O no hydrogen 2.983 N/A LEU 143.A N VAL 140.A O no hydrogen 3.256 N/A LEU 144.A N VAL 140.A O no hydrogen 2.935 N/A LYS 149.A N GLU 132.A O no hydrogen 2.882 N/A GLY 151.A N ILE 148.A O no hydrogen 3.167 N/A LYS 152.A N ASP 325.A OD2 no hydrogen 2.905 N/A LYS 152.A NZ GLN 288.A O no hydrogen 2.996 N/A LYS 152.A NZ GLN 288.A OE1 no hydrogen 3.077 N/A LYS 152.A NZ ILE 291.A O no hydrogen 3.416 N/A ILE 153.A N SER 301.A O no hydrogen 2.935 N/A GLY 154.A N ALA 326.A O no hydrogen 3.175 N/A LEU 155.A N GLN 303.A O no hydrogen 2.904 N/A PHE 156.A N THR 328.A O no hydrogen 3.064 N/A GLY 157.A N ILE 305.A O no hydrogen 2.939 N/A ALA 159.A N ASP 310.A OD1 no hydrogen 3.472 N/A LYS 163.A NZ ASN 252.A OD1 no hydrogen 3.094 N/A THR 164.A OG1 GLU 189.A OE1 no hydrogen 3.174 N/A ILE 167.A N LYS 163.A O no hydrogen 2.947 N/A GLN 168.A N THR 164.A O no hydrogen 2.900 N/A GLU 169.A N VAL 165.A O no hydrogen 2.916 N/A LEU 170.A N LEU 166.A O no hydrogen 2.917 N/A ILE 171.A N ILE 167.A O no hydrogen 2.981 N/A HIS 172.A N GLN 168.A O no hydrogen 2.911 N/A ASN 173.A N GLU 169.A O no hydrogen 2.902 N/A ILE 174.A N LEU 170.A O no hydrogen 2.957 N/A GLN 176.A NE2 HIS 172.A O no hydrogen 3.378 N/A GLU 177.A N ILE 174.A O no hydrogen 3.077 N/A HIS 178.A N ILE 174.A O no hydrogen 2.821 N/A GLY 180.A N HIS 178.A ND1 no hydrogen 3.064 N/A ILE 181.A N ASP 245.A O no hydrogen 2.998 N/A SER 182.A N LYS 209.A O no hydrogen 3.339 N/A SER 182.A OG GLY 180.A O no hydrogen 3.532 N/A VAL 183.A N LEU 247.A O no hydrogen 2.903 N/A ALA 185.A N PHE 249.A O no hydrogen 2.887 N/A VAL 187.A N ASP 251.A O no hydrogen 2.973 N/A ARG 190.A NH1 GLU 193.A OE2 no hydrogen 3.270 N/A ARG 190.A NH2 GLU 189.A OE1 no hydrogen 3.457 N/A ARG 192.A NH2 GLU 193.A OE2 no hydrogen 2.600 N/A GLY 194.A N ARG 190.A O no hydrogen 3.494 N/A ASN 195.A N THR 191.A O no hydrogen 2.919 N/A ASP 196.A N ARG 192.A O no hydrogen 2.926 N/A LEU 197.A N GLU 193.A O no hydrogen 2.908 N/A TYR 198.A OH ASP 103.A OD2 no hydrogen 2.416 N/A GLU 200.A N ASP 196.A O no hydrogen 2.996 N/A MET 201.A N LEU 197.A O no hydrogen 2.851 N/A LYS 202.A N TYR 198.A O no hydrogen 2.877 N/A LYS 202.A NZ HIS 199.A ND1 no hydrogen 3.010 N/A ASP 203.A N HIS 199.A O no hydrogen 3.032 N/A SER 204.A N GLU 200.A O no hydrogen 2.867 N/A SER 204.A OG GLU 200.A O no hydrogen 2.664 N/A GLY 205.A N MET 201.A O no hydrogen 3.280 N/A LYS 209.A N VAL 206.A O no hydrogen 2.925 N/A THR 210.A N ILE 207.A O no hydrogen 3.496 N/A THR 210.A OG1 VAL 206.A O no hydrogen 3.125 N/A ALA 211.A N SER 182.A O no hydrogen 3.340 N/A MET 212.A N ARG 93.A O no hydrogen 2.959 N/A PHE 214.A N PHE 95.A O no hydrogen 3.016 N/A ASN 218.A ND2 ASN 218.A O no hydrogen 2.756 N/A GLY 222.A N ALA 62.A O no hydrogen 3.113 N/A ALA 223.A N PRO 220.A O no hydrogen 3.403 N/A ARG 224.A NE GLU 219.A O no hydrogen 2.800 N/A ARG 224.A NH2 GLU 219.A O no hydrogen 3.047 N/A MET 225.A N PRO 221.A O no hydrogen 2.935 N/A ARG 226.A NE GLU 48.A OE1 no hydrogen 2.881 N/A ARG 226.A NE GLU 48.A OE2 no hydrogen 2.968 N/A ARG 226.A NH2 GLU 48.A OE1 no hydrogen 2.446 N/A VAL 227.A N ALA 223.A O no hydrogen 2.953 N/A THR 230.A N ARG 226.A O no hydrogen 3.039 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.924 N/A THR 233.A N LEU 229.A O no hydrogen 2.863 N/A THR 233.A OG1 LEU 229.A O no hydrogen 2.521 N/A MET 234.A N THR 230.A O no hydrogen 3.072 N/A ALA 235.A N GLY 231.A O no hydrogen 2.938 N/A GLU 236.A N LEU 232.A O no hydrogen 2.856 N/A PHE 238.A N MET 234.A O no hydrogen 3.073 N/A ARG 239.A N ALA 235.A O no hydrogen 2.893 N/A ARG 239.A NE ASP 240.A OD2 no hydrogen 2.865 N/A ARG 239.A NH2 ASP 240.A OD2 no hydrogen 2.842 N/A ASP 240.A N GLU 236.A O no hydrogen 2.895 N/A GLU 241.A N TYR 237.A O no hydrogen 3.399 N/A GLY 243.A N PHE 238.A O no hydrogen 2.994 N/A GLN 244.A N GLN 244.A OE1 no hydrogen 2.958 N/A LEU 247.A N ILE 181.A O no hydrogen 2.893 N/A LEU 248.A N THR 300.A O no hydrogen 2.909 N/A PHE 249.A N VAL 183.A O no hydrogen 2.911 N/A ILE 250.A N ILE 302.A O no hydrogen 2.907 N/A ASP 251.A N ALA 185.A O no hydrogen 2.919 N/A ASN 252.A ND2 ASP 251.A OD1 no hydrogen 2.366 N/A ILE 253.A N ALA 304.A O no hydrogen 3.255 N/A PHE 256.A N ILE 253.A O no hydrogen 2.903 N/A THR 257.A OG1 PHE 254.A O no hydrogen 3.271 N/A GLN 258.A N PHE 254.A O no hydrogen 2.876 N/A ALA 259.A N ARG 255.A O no hydrogen 2.894 N/A GLY 260.A N PHE 256.A O no hydrogen 3.435 N/A SER 261.A N THR 257.A O no hydrogen 3.254 N/A SER 261.A N GLN 258.A O no hydrogen 2.943 N/A SER 261.A OG GLN 258.A O no hydrogen 2.604 N/A GLU 262.A N ALA 259.A O no hydrogen 2.947 N/A VAL 263.A N ALA 259.A O no hydrogen 3.440 N/A SER 264.A N SER 261.A O no hydrogen 2.925 N/A SER 264.A OG SER 261.A O no hydrogen 2.466 N/A LEU 266.A N VAL 263.A O no hydrogen 2.949 N/A LEU 267.A N VAL 263.A O no hydrogen 3.176 N/A LEU 267.A N SER 264.A O no hydrogen 2.929 N/A ARG 269.A NH2 GLU 283.A OE2 no hydrogen 3.523 N/A GLY 275.A N SER 272.A O no hydrogen 2.706 N/A TYR 276.A OH ASP 314.A OD1 no hydrogen 3.036 N/A TYR 276.A OH ASP 314.A OD2 no hydrogen 2.633 N/A GLN 277.A N GLN 277.A OE1 no hydrogen 2.698 N/A GLN 277.A NE2 THR 257.A O no hydrogen 3.694 N/A GLN 277.A NE2 GLU 283.A OE1 no hydrogen 2.892 N/A THR 279.A OG1 GLU 283.A OE2 no hydrogen 2.551 N/A GLU 283.A N THR 279.A O no hydrogen 2.972 N/A MET 284.A N LEU 280.A O no hydrogen 2.939 N/A GLY 285.A N ALA 281.A O no hydrogen 2.895 N/A GLN 286.A NE2 THR 282.A O no hydrogen 3.603 N/A LEU 287.A N MET 284.A O no hydrogen 3.088 N/A GLN 288.A N MET 284.A O no hydrogen 2.943 N/A GLU 289.A N GLY 285.A O no hydrogen 3.221 N/A ARG 290.A N LEU 287.A O no hydrogen 3.151 N/A ARG 290.A NE GLU 236.A OE2 no hydrogen 2.608 N/A ARG 290.A NH2 ILE 117.A O no hydrogen 2.250 N/A ARG 290.A NH2 GLU 236.A OE2 no hydrogen 3.158 N/A SER 293.A OG GLY 150.A O no hydrogen 2.656 N/A THR 294.A N GLY 297.A O no hydrogen 3.006 N/A THR 294.A OG1 GLY 297.A O no hydrogen 3.401 N/A ALA 295.A N GLU 126.A O no hydrogen 3.121 N/A GLY 297.A N THR 294.A OG1 no hydrogen 3.392 N/A SER 298.A OG ASP 245.A OD1 no hydrogen 2.853 N/A THR 300.A N VAL 246.A O no hydrogen 3.000 N/A SER 301.A N GLY 151.A O no hydrogen 3.458 N/A SER 301.A OG LEU 248.A O no hydrogen 3.327 N/A ILE 302.A N LEU 248.A O no hydrogen 2.902 N/A GLN 303.A N ILE 153.A O no hydrogen 2.898 N/A ALA 304.A N ILE 250.A O no hydrogen 2.971 N/A ILE 305.A N LEU 155.A O no hydrogen 2.836 N/A VAL 307.A N GLY 157.A O no hydrogen 2.630 N/A TYR 312.A OH LEU 330.A O no hydrogen 3.171 N/A TYR 312.A OH GLU 331.A OE2 no hydrogen 2.942 N/A THR 313.A N ASP 311.A OD1 no hydrogen 3.319 N/A THR 313.A OG1 ASP 311.A OD1 no hydrogen 3.215 N/A ASP 314.A N TYR 312.A O no hydrogen 2.828 N/A ALA 318.A N ASP 314.A O no hydrogen 2.973 N/A THR 319.A N PRO 315.A O no hydrogen 2.892 N/A THR 319.A OG1 PRO 315.A O no hydrogen 2.648 N/A THR 320.A N ALA 316.A O no hydrogen 2.940 N/A PHE 321.A N PRO 317.A O no hydrogen 2.909 N/A SER 322.A OG THR 319.A O no hydrogen 3.257 N/A HIS 323.A N THR 320.A O no hydrogen 3.521 N/A ASP 325.A N LYS 152.A O no hydrogen 3.247 N/A THR 327.A N THR 349.A O no hydrogen 3.221 N/A THR 328.A N GLY 154.A O no hydrogen 3.300 N/A ASN 329.A N SER 348.A OG no hydrogen 3.225 N/A GLU 331.A N ALA 342.A O no hydrogen 3.335 N/A ARG 332.A NE ALA 159.A O no hydrogen 3.142 N/A ALA 335.A N GLU 331.A O no hydrogen 3.283 N/A GLU 336.A N ARG 332.A O no hydrogen 2.919 N/A MET 337.A N LYS 333.A O no hydrogen 2.915 N/A ASP 344.A N ASN 329.A O no hydrogen 3.114 N/A SER 348.A OG ASP 344.A O no hydrogen 3.436 N/A THR 349.A N THR 327.A O no hydrogen 3.357 N/A ARG 351.A N ASP 325.A O no hydrogen 3.466 N/A ALA 354.A N ALA 352.A O no hydrogen 2.538 N/A GLU 356.A N GLU 356.A OE2 no hydrogen 2.474 N/A ILE 357.A N ALA 354.A O no hydrogen 3.197 N/A VAL 358.A N ALA 354.A O no hydrogen 3.295 N/A GLY 359.A N PRO 355.A O no hydrogen 3.240 N/A HIS 362.A NE2 LEU 143.A O no hydrogen 2.839 N/A TYR 363.A OH LEU 353.A O no hydrogen 3.383 N/A ALA 366.A N HIS 362.A O no hydrogen 2.988 N/A ARG 367.A N TYR 363.A O no hydrogen 2.879 N/A LYS 368.A N GLN 364.A O no hydrogen 2.917 N/A VAL 369.A N VAL 365.A O no hydrogen 2.983 N/A GLN 370.A N ALA 366.A O no hydrogen 2.913 N/A GLN 371.A N ARG 367.A O no hydrogen 2.866 N/A THR 372.A N LYS 368.A O no hydrogen 2.931 N/A THR 372.A OG1 LYS 368.A O no hydrogen 2.899 N/A LEU 373.A N VAL 369.A O no hydrogen 2.960 N/A GLN 374.A N GLN 370.A O no hydrogen 2.931 N/A ARG 375.A N GLN 371.A O no hydrogen 2.886 N/A TYR 376.A N THR 372.A O no hydrogen 2.967 N/A TYR 376.A OH GLN 380.A OE1 no hydrogen 2.940 N/A LYS 377.A N GLN 374.A O no hydrogen 3.330 N/A GLN 380.A N TYR 376.A O no hydrogen 2.965 N/A ILE 382.A N GLU 378.A O no hydrogen 2.944 N/A ILE 383.A N LEU 379.A O no hydrogen 2.923 N/A ALA 384.A N ASP 381.A O no hydrogen 3.153 N/A ILE 385.A N ILE 382.A O no hydrogen 3.154 N/A LEU 386.A N ILE 382.A O no hydrogen 2.916 N/A GLY 387.A N ILE 383.A O no hydrogen 3.311 N/A ASP 389.A N GLU 390.A OE1 no hydrogen 3.250 N/A GLU 390.A N GLU 390.A OE1 no hydrogen 2.533 N/A GLU 394.A N ASP 393.A OD1 no hydrogen 2.759 N/A LYS 396.A N SER 392.A O no hydrogen 2.887 N/A LYS 396.A NZ MET 388.A O no hydrogen 3.175 N/A LYS 396.A NZ ASP 389.A OD2 no hydrogen 3.289 N/A LEU 397.A N ASP 393.A O no hydrogen 2.919 N/A VAL 398.A N ASP 395.A O no hydrogen 3.103 N/A HIS 400.A N LYS 396.A O no hydrogen 2.892 N/A ARG 401.A N LEU 397.A O no hydrogen 2.958 N/A ALA 402.A N VAL 398.A O no hydrogen 2.846 N/A ARG 403.A N VAL 399.A O no hydrogen 2.945 N/A ARG 404.A NH1 HIS 400.A O no hydrogen 3.019 N/A ARG 404.A NH2 LEU 447.A O no hydrogen 2.981 N/A ILE 405.A N ARG 401.A O no hydrogen 2.955 N/A GLN 406.A N ALA 402.A O no hydrogen 2.882 N/A PHE 407.A N ARG 403.A O no hydrogen 2.915 N/A PHE 408.A N ARG 404.A O no hydrogen 2.927 N/A LEU 409.A N GLN 406.A O no hydrogen 3.206 N/A SER 410.A N PHE 407.A O no hydrogen 3.134 N/A SER 410.A OG PHE 407.A O no hydrogen 2.850 N/A GLN 411.A N TYR 340.A O no hydrogen 3.286 N/A GLN 411.A NE2 GLY 137.A O no hydrogen 3.106 N/A HIS 414.A NE2 SER 425.A O no hydrogen 3.018 N/A GLN 418.A N GLN 418.A OE1 no hydrogen 2.350 N/A THR 420.A N ALA 416.A O no hydrogen 2.708 N/A THR 420.A OG1 ALA 416.A O no hydrogen 2.743 N/A GLY 421.A N GLU 417.A O no hydrogen 2.604 N/A GLN 422.A N THR 420.A OG1 no hydrogen 3.311 N/A SER 425.A OG ASN 412.A OD1 no hydrogen 3.240 N/A TYR 426.A OH ASN 173.A OD1 no hydrogen 2.732 N/A VAL 429.A N GLU 135.A OE2 no hydrogen 3.130 N/A THR 432.A N PRO 428.A O no hydrogen 3.217 N/A THR 432.A OG1 VAL 429.A O no hydrogen 2.747 N/A VAL 433.A N VAL 429.A O no hydrogen 3.015 N/A ARG 434.A N LYS 430.A O no hydrogen 2.936 N/A GLY 435.A N GLU 431.A O no hydrogen 2.799 N/A PHE 436.A N THR 432.A O no hydrogen 3.019 N/A LYS 437.A N VAL 433.A O no hydrogen 2.981 N/A LYS 437.A NZ GLU 441.A OE1 no hydrogen 2.750 N/A GLU 438.A N ARG 434.A O no hydrogen 3.003 N/A ILE 439.A N GLY 435.A O no hydrogen 2.893 N/A LEU 440.A N PHE 436.A O no hydrogen 3.000 N/A GLU 441.A N GLU 438.A O no hydrogen 2.826 N/A TYR 444.A OH GLU 438.A OE1 no hydrogen 2.698 N/A GLU 449.A N GLU 449.A OE2 no hydrogen 2.633 N/A ALA 451.A N PRO 448.A O no hydrogen 3.217 N/A PHE 452.A N GLU 449.A O no hydrogen 2.923 N/A ARG 453.A NH1 GLY 338.A O no hydrogen 2.513 N/A LEU 454.A N SER 410.A OG no hydrogen 2.648 N/A GLU 460.A N ARG 457.A O no hydrogen 3.019 N/A VAL 461.A N ILE 458.A O no hydrogen 2.938 N/A LYS 464.A N GLU 460.A O no hydrogen 2.974 N/A ALA 465.A N VAL 461.A O no hydrogen 3.012 N/A LYS 466.A N VAL 462.A O no hydrogen 3.080 N/A LYS 466.A NZ GLU 463.A OE2 no hydrogen 2.952 N/A ALA 467.A N GLU 463.A O no hydrogen 2.640 N/A MET 468.A N LYS 464.A O no hydrogen 2.780 N/A