Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jle_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG SER 5.A OG no hydrogen 2.613 N/A ILE 3.A N LEU 199.A O no hydrogen 2.914 N/A SER 5.A N ASP 15.A OD1 no hydrogen 2.567 N/A SER 5.A OG SER 2.A OG no hydrogen 2.613 N/A ILE 6.A N PHE 197.A O no hydrogen 3.222 N/A VAL 7.A N ILE 14.A O no hydrogen 2.916 N/A TYR 8.A N ASN 37.A OD1 no hydrogen 2.893 N/A LYS 9.A N ASP 12.A O no hydrogen 2.890 N/A ILE 14.A N VAL 7.A O no hydrogen 2.903 N/A LEU 16.A N SER 5.A O no hydrogen 2.984 N/A SER 17.A N ASP 15.A OD1 no hydrogen 3.303 N/A SER 17.A OG ILE 3.A O no hydrogen 2.314 N/A SER 17.A OG ASP 15.A OD1 no hydrogen 3.204 N/A SER 17.A OG ASP 15.A OD2 no hydrogen 2.534 N/A LYS 22.A N ILE 52.A O no hydrogen 2.947 N/A LYS 22.A NZ ILE 23.A O no hydrogen 2.593 N/A ASN 24.A N GLU 50.A O no hydrogen 2.916 N/A GLY 26.A N THR 48.A O no hydrogen 2.854 N/A ARG 28.A NH2 TYR 30.A OH no hydrogen 2.915 N/A TYR 30.A N LYS 40.A O no hydrogen 3.487 N/A ILE 34.A N ASP 32.A OD1 no hydrogen 3.384 N/A GLN 38.A N ASP 35.A O no hydrogen 2.722 N/A ILE 39.A N ILE 194.A O no hydrogen 2.798 N/A LYS 40.A N TYR 30.A O no hydrogen 3.340 N/A LEU 41.A N ILE 192.A O no hydrogen 2.908 N/A ASN 43.A ND2 CYS 185.A O no hydrogen 3.170 N/A ASN 43.A ND2 ASP 187.A O no hydrogen 2.326 N/A LEU 44.A N ILE 42.A O no hydrogen 2.962 N/A SER 47.A OG ILE 42.A O no hydrogen 3.400 N/A THR 48.A OG1 GLU 45.A O no hydrogen 2.898 N/A ILE 49.A N PHE 180.A O no hydrogen 2.901 N/A GLU 50.A N ASN 24.A O no hydrogen 2.929 N/A VAL 51.A N ILE 178.A O no hydrogen 3.050 N/A ILE 52.A N LYS 22.A O no hydrogen 2.731 N/A LEU 53.A N ASN 176.A O no hydrogen 2.991 N/A LYS 54.A NZ TYR 19.A O no hydrogen 2.614 N/A ILE 57.A N LYS 54.A O no hydrogen 2.851 N/A TYR 59.A OH GLU 64.A O no hydrogen 2.329 N/A PHE 66.A N ASN 146.A O no hydrogen 2.964 N/A SER 67.A N PHE 200.A O no hydrogen 2.901 N/A SER 67.A OG LYS 202.A O no hydrogen 2.669 N/A THR 68.A N ILE 144.A O no hydrogen 2.905 N/A THR 68.A OG1 ASN 198.A O no hydrogen 3.364 N/A SER 69.A N ASN 198.A O no hydrogen 2.930 N/A PHE 70.A N VAL 142.A O no hydrogen 2.905 N/A TRP 71.A N LYS 195.A O no hydrogen 2.745 N/A TRP 71.A NE1 GLN 216.A OE1 no hydrogen 2.709 N/A ILE 72.A N ILE 140.A O no hydrogen 2.897 N/A LYS 73.A N MET 193.A O no hydrogen 2.948 N/A LYS 73.A NZ ASN 137.A OD1 no hydrogen 2.450 N/A LYS 76.A N GLY 415.A O no hydrogen 3.245 N/A LYS 76.A NZ ASN 276.A OD1 no hydrogen 3.394 N/A LYS 76.A NZ TRP 416.A O no hydrogen 3.309 N/A TYR 77.A OH TYR 87.A OH no hydrogen 2.644 N/A ASN 82.A N SER 79.A O no hydrogen 3.459 N/A ASN 82.A ND2 ASP 187.A OD2 no hydrogen 2.514 N/A LEU 83.A N LYS 80.A O no hydrogen 3.030 N/A ASN 85.A ND2 ILE 81.A O no hydrogen 3.430 N/A TYR 87.A N LEU 103.A O no hydrogen 2.994 N/A TYR 87.A OH TYR 77.A OH no hydrogen 2.644 N/A THR 88.A N ASP 183.A O no hydrogen 2.533 N/A THR 88.A OG1 SER 102.A OG no hydrogen 3.057 N/A ILE 89.A N VAL 101.A O no hydrogen 3.119 N/A ILE 90.A N VAL 101.A O no hydrogen 2.970 N/A CYS 92.A N TRP 99.A O no hydrogen 2.880 N/A CYS 92.A SG SER 175.A O no hydrogen 3.447 N/A GLU 94.A N SER 97.A O no hydrogen 2.873 N/A SER 97.A N GLU 94.A O no hydrogen 2.921 N/A SER 97.A OG GLN 113.A O no hydrogen 3.208 N/A GLY 98.A N GLN 113.A O no hydrogen 2.894 N/A LYS 100.A N THR 111.A O no hydrogen 2.927 N/A LYS 100.A NZ THR 111.A OG1 no hydrogen 2.393 N/A VAL 101.A N ILE 90.A O no hydrogen 2.924 N/A SER 102.A N ILE 109.A O no hydrogen 2.958 N/A SER 102.A OG GLU 86.A OE2 no hydrogen 3.174 N/A SER 102.A OG THR 88.A OG1 no hydrogen 3.057 N/A LEU 103.A N TYR 87.A O no hydrogen 2.848 N/A ASN 104.A N GLU 107.A O no hydrogen 2.917 N/A TYR 105.A OH ILE 273.A O no hydrogen 2.478 N/A GLU 107.A N ASN 104.A O no hydrogen 2.879 N/A ILE 108.A N PHE 124.A O no hydrogen 2.920 N/A ILE 109.A N SER 102.A O no hydrogen 2.902 N/A TRP 110.A N VAL 122.A O no hydrogen 2.862 N/A THR 111.A N LYS 100.A O no hydrogen 2.869 N/A THR 111.A OG1 LYS 100.A O no hydrogen 2.886 N/A LEU 112.A N GLN 120.A O no hydrogen 2.898 N/A GLN 113.A N GLY 98.A O no hydrogen 2.913 N/A GLN 113.A NE2 ASN 96.A OD1 no hydrogen 2.825 N/A ASP 114.A N ASN 118.A O no hydrogen 3.414 N/A ASN 115.A N ASN 171.A O no hydrogen 2.836 N/A LYS 116.A NZ ASN 115.A OD1 no hydrogen 3.010 N/A GLN 117.A N ASP 114.A O no hydrogen 3.236 N/A ASN 118.A N ASP 114.A OD1 no hydrogen 2.595 N/A GLN 120.A N LEU 112.A O no hydrogen 2.914 N/A ARG 121.A N GLN 120.A OE1 no hydrogen 3.280 N/A VAL 122.A N TRP 110.A O no hydrogen 2.890 N/A VAL 123.A N ASP 162.A OD2 no hydrogen 3.356 N/A PHE 124.A N ILE 108.A O no hydrogen 2.889 N/A LYS 125.A NZ TYR 126.A O no hydrogen 3.547 N/A TYR 126.A N GLY 106.A O no hydrogen 2.978 N/A MET 129.A N SER 127.A OG no hydrogen 2.947 N/A TYR 135.A N SER 133.A OG no hydrogen 2.872 N/A ILE 136.A N SER 133.A OG no hydrogen 2.886 N/A ASN 137.A N ILE 74.A O no hydrogen 3.021 N/A ASN 137.A ND2 ASP 413.A OD2 no hydrogen 3.542 N/A ARG 138.A N TYR 135.A O no hydrogen 3.395 N/A ARG 138.A NH1 SER 133.A O no hydrogen 3.106 N/A ILE 140.A N ILE 72.A O no hydrogen 2.898 N/A PHE 141.A N ASN 157.A OD1 no hydrogen 2.861 N/A VAL 142.A N PHE 70.A O no hydrogen 2.893 N/A THR 143.A N TYR 155.A O no hydrogen 2.995 N/A THR 143.A OG1 THR 68.A O no hydrogen 2.628 N/A ILE 144.A N THR 68.A O no hydrogen 2.856 N/A THR 145.A N LYS 153.A O no hydrogen 2.936 N/A THR 145.A OG1 LYS 153.A O no hydrogen 3.451 N/A ASN 146.A N PHE 66.A O no hydrogen 2.872 N/A ASN 146.A ND2 PHE 66.A O no hydrogen 3.465 N/A ASN 147.A N LYS 151.A O no hydrogen 2.916 N/A ASN 147.A ND2 GLU 203.A OE1 no hydrogen 2.988 N/A ARG 148.A N ASN 65.A OD1 no hydrogen 2.601 N/A ARG 148.A NH1 TYR 59.A OH no hydrogen 2.798 N/A ARG 148.A NH2 GLY 170.A O no hydrogen 2.340 N/A LEU 149.A N ASN 147.A OD1 no hydrogen 2.831 N/A THR 150.A N ASN 147.A O no hydrogen 3.334 N/A THR 150.A N ASN 147.A OD1 no hydrogen 2.655 N/A SER 152.A N LYS 164.A O no hydrogen 2.858 N/A SER 152.A OG THR 145.A O no hydrogen 3.063 N/A SER 152.A OG ASN 146.A OD1 no hydrogen 2.446 N/A LYS 153.A N THR 145.A O no hydrogen 2.882 N/A LYS 153.A NZ TYR 155.A OH no hydrogen 3.346 N/A ILE 154.A N ASP 162.A O no hydrogen 2.971 N/A TYR 155.A N THR 143.A O no hydrogen 2.900 N/A ILE 156.A N ARG 159.A O no hydrogen 3.026 N/A ASN 157.A N PHE 141.A O no hydrogen 2.843 N/A ARG 159.A N ILE 156.A O no hydrogen 3.224 N/A ARG 159.A NH2 TYR 135.A OH no hydrogen 3.287 N/A ILE 161.A N ILE 154.A O no hydrogen 3.309 N/A GLN 163.A N ASP 162.A OD1 no hydrogen 2.683 N/A LYS 164.A N SER 152.A O no hydrogen 2.928 N/A LYS 164.A NZ ASP 162.A OD1 no hydrogen 3.277 N/A LEU 169.A N ILE 166.A O no hydrogen 3.171 N/A GLY 170.A N ASP 114.A OD2 no hydrogen 3.138 N/A HIS 173.A N SER 97.A OG no hydrogen 2.978 N/A HIS 173.A ND1 ASN 60.A OD1 no hydrogen 2.840 N/A SER 175.A N CYS 92.A O no hydrogen 3.008 N/A ILE 178.A N VAL 51.A O no hydrogen 2.821 N/A MET 179.A N ASN 91.A O no hydrogen 3.208 N/A PHE 180.A N ILE 49.A O no hydrogen 2.928 N/A LYS 181.A N ILE 89.A O no hydrogen 3.349 N/A LYS 181.A NZ GLU 45.A O no hydrogen 3.327 N/A LYS 181.A NZ GLU 45.A OE1 no hydrogen 2.335 N/A ASP 183.A N THR 88.A O no hydrogen 2.691 N/A CYS 185.A SG ASP 187.A O no hydrogen 3.562 N/A ARG 190.A NH1 PRO 75.A O no hydrogen 3.125 N/A ARG 190.A NH1 LYS 76.A O no hydrogen 3.098 N/A ARG 190.A NH2 LYS 76.A O no hydrogen 2.707 N/A ILE 192.A N LEU 41.A O no hydrogen 2.905 N/A MET 193.A N LYS 73.A O no hydrogen 3.031 N/A ILE 194.A N ILE 39.A O no hydrogen 2.733 N/A LYS 195.A N TRP 71.A O no hydrogen 2.770 N/A ASN 198.A N SER 69.A O no hydrogen 2.891 N/A ASN 198.A ND2 SER 5.A OG no hydrogen 2.897 N/A LEU 199.A N LEU 4.A O no hydrogen 3.038 N/A PHE 200.A N SER 67.A O no hydrogen 2.884 N/A LYS 202.A NZ GLU 208.A OE2 no hydrogen 3.462 N/A LEU 204.A N SER 67.A OG no hydrogen 3.263 N/A ASN 205.A N GLU 208.A OE1 no hydrogen 3.182 N/A GLU 208.A N ASN 205.A OD1 no hydrogen 2.888 N/A ILE 209.A N ASN 205.A O no hydrogen 3.145 N/A LYS 210.A N GLU 206.A O no hydrogen 2.909 N/A ASP 211.A N LYS 207.A O no hydrogen 2.931 N/A LEU 212.A N GLU 208.A O no hydrogen 2.894 N/A TYR 213.A N ILE 209.A O no hydrogen 2.894 N/A ASP 214.A N LYS 210.A O no hydrogen 2.962 N/A SER 215.A N ASP 211.A O no hydrogen 2.888 N/A GLN 216.A N LEU 212.A O no hydrogen 2.943 N/A GLN 216.A NE2 ASN 198.A OD1 no hydrogen 2.932 N/A SER 217.A N ASP 214.A O no hydrogen 3.334 N/A SER 217.A OG TYR 213.A O no hydrogen 2.319 N/A ILE 221.A N ASN 218.A O no hydrogen 3.097 N/A LEU 222.A N VAL 299.A O no hydrogen 3.256 N/A LYS 223.A NZ SER 217.A O no hydrogen 2.349 N/A LYS 223.A NZ ASN 218.A O no hydrogen 3.125 N/A ASP 224.A N ASN 228.A O no hydrogen 3.170 N/A PHE 225.A N PHE 409.A O no hydrogen 2.462 N/A TRP 226.A NE1 PRO 411.A O no hydrogen 2.753 N/A GLY 227.A N ASP 224.A O no hydrogen 3.205 N/A LEU 230.A N LEU 222.A O no hydrogen 3.332 N/A GLN 231.A N TYR 236.A OH no hydrogen 3.066 N/A GLN 231.A NE2 TYR 229.A O no hydrogen 3.136 N/A TYR 232.A N ASN 297.A O no hydrogen 3.131 N/A ASP 233.A N ILE 287.A O no hydrogen 2.784 N/A LYS 234.A NZ TYR 236.A OH no hydrogen 2.940 N/A TYR 237.A N ILE 410.A O no hydrogen 2.914 N/A LEU 239.A N GLU 408.A O no hydrogen 2.957 N/A LYS 246.A NZ ASP 243.A OD1 no hydrogen 3.086 N/A LYS 246.A NZ ASP 243.A OD2 no hydrogen 2.549 N/A TYR 247.A N LYS 262.A O no hydrogen 2.862 N/A ASP 249.A N TYR 260.A O no hydrogen 2.870 N/A GLY 254.A N ALA 333.A O no hydrogen 3.066 N/A GLY 257.A N GLY 254.A O no hydrogen 3.099 N/A TYR 258.A N ASN 251.A OD1 no hydrogen 3.308 N/A TYR 260.A N ASP 249.A O no hydrogen 2.911 N/A LEU 261.A N ALA 384.A O no hydrogen 2.848 N/A LYS 262.A N TYR 247.A O no hydrogen 2.882 N/A ARG 265.A N ASN 245.A O no hydrogen 2.905 N/A ARG 265.A NE PRO 244.A O no hydrogen 3.259 N/A ARG 265.A NH1 THR 278.A O no hydrogen 2.750 N/A GLY 266.A N GLU 281.A OE2 no hydrogen 2.493 N/A VAL 268.A N ASN 276.A O no hydrogen 3.084 N/A THR 270.A N TYR 274.A O no hydrogen 3.005 N/A ASN 276.A ND2 GLN 128.A O no hydrogen 3.477 N/A ASN 276.A ND2 VAL 130.A O no hydrogen 2.726 N/A SER 277.A N ASN 131.A O no hydrogen 2.927 N/A SER 277.A OG GLY 266.A O no hydrogen 3.132 N/A THR 278.A N GLY 266.A O no hydrogen 2.981 N/A THR 278.A OG1 GLU 281.A OE2 no hydrogen 2.655 N/A LEU 279.A N GLU 418.A OE1 no hydrogen 3.128 N/A TYR 280.A N GLU 418.A OE1 no hydrogen 3.258 N/A TYR 280.A N GLU 418.A OE2 no hydrogen 3.467 N/A PHE 285.A N TYR 236.A O no hydrogen 2.631 N/A LYS 288.A N TYR 306.A O no hydrogen 2.596 N/A LYS 288.A NZ ASP 233.A OD1 no hydrogen 2.446 N/A ALA 291.A N ARG 304.A O no hydrogen 3.226 N/A SER 292.A OG ASN 294.A OD1 no hydrogen 3.501 N/A SER 292.A OG ASP 303.A OD2 no hydrogen 2.881 N/A VAL 299.A N LEU 230.A O no hydrogen 2.892 N/A ASN 301.A N GLY 220.A O no hydrogen 3.205 N/A ASN 302.A N MET 348.A O no hydrogen 2.875 N/A VAL 305.A N VAL 346.A O no hydrogen 2.870 N/A TYR 306.A N LYS 288.A O no hydrogen 2.587 N/A ASN 308.A N ILE 286.A O no hydrogen 2.666 N/A ASN 308.A ND2 GLU 315.A OE1 no hydrogen 3.399 N/A VAL 309.A N TYR 316.A O no hydrogen 2.953 N/A VAL 310.A N LYS 284.A O no hydrogen 3.221 N/A VAL 311.A N LYS 314.A O no hydrogen 2.864 N/A LYS 314.A N VAL 311.A O no hydrogen 2.904 N/A TYR 316.A N VAL 309.A O no hydrogen 2.819 N/A ARG 317.A N LEU 334.A O no hydrogen 3.114 N/A LEU 318.A N ILE 307.A O no hydrogen 3.290 N/A ALA 319.A N SER 332.A O no hydrogen 2.938 N/A THR 320.A OG1 ILE 330.A O no hydrogen 2.204 N/A SER 323.A N ASN 321.A OD1 no hydrogen 3.410 N/A GLN 324.A NE2 ASN 321.A O no hydrogen 2.527 N/A LEU 331.A N LEU 386.A O no hydrogen 3.197 N/A SER 332.A N ALA 319.A O no hydrogen 2.865 N/A SER 332.A OG ILE 255.A O no hydrogen 3.442 N/A SER 332.A OG GLY 257.A O no hydrogen 3.013 N/A SER 332.A OG LEU 331.A O no hydrogen 2.787 N/A LEU 334.A N ARG 317.A O no hydrogen 2.954 N/A ASP 338.A N GLU 335.A O no hydrogen 3.027 N/A LEU 342.A N VAL 339.A O no hydrogen 3.256 N/A VAL 346.A N VAL 305.A O no hydrogen 3.085 N/A VAL 347.A N ASN 363.A O no hydrogen 2.836 N/A MET 348.A N ASP 303.A O no hydrogen 2.912 N/A LYS 349.A N LYS 361.A O no hydrogen 2.919 N/A SER 350.A OG SER 219.A O no hydrogen 3.238 N/A ASP 352.A N ILE 356.A O no hydrogen 3.057 N/A GLY 355.A N ASP 352.A O no hydrogen 3.074 N/A ILE 356.A N ASP 352.A OD1 no hydrogen 2.324 N/A ASN 358.A N SER 350.A O no hydrogen 3.031 N/A ASN 358.A ND2 ILE 356.A O no hydrogen 3.539 N/A LYS 361.A N LYS 349.A O no hydrogen 2.961 N/A ASN 363.A N VAL 347.A O no hydrogen 2.925 N/A LEU 364.A N GLY 373.A O no hydrogen 2.851 N/A GLN 365.A N VAL 345.A O no hydrogen 2.882 N/A ASP 366.A N ASN 370.A O no hydrogen 3.108 N/A GLY 369.A N ASP 366.A O no hydrogen 3.418 N/A ASN 370.A N ASP 366.A OD1 no hydrogen 2.347 N/A GLY 373.A N LEU 364.A O no hydrogen 2.987 N/A ILE 375.A N MET 362.A O no hydrogen 2.922 N/A GLY 376.A N VAL 387.A O no hydrogen 2.893 N/A HIS 378.A N LYS 385.A O no hydrogen 2.926 N/A TYR 380.A N ILE 383.A O no hydrogen 2.901 N/A TYR 380.A OH GLU 328.A O no hydrogen 2.273 N/A ILE 383.A N TYR 380.A O no hydrogen 2.858 N/A LYS 385.A N HIS 378.A O no hydrogen 2.881 N/A LEU 386.A N MET 259.A O no hydrogen 3.040 N/A VAL 387.A N GLY 376.A O no hydrogen 2.882 N/A SER 389.A N PHE 374.A O no hydrogen 2.940 N/A ASN 390.A ND2 ASP 371.A O no hydrogen 2.582 N/A ASN 393.A ND2 ASN 390.A OD1 no hydrogen 3.031 N/A ARG 394.A N ASN 390.A O no hydrogen 2.892 N/A GLN 395.A N TRP 391.A O no hydrogen 2.991 N/A VAL 396.A N TYR 392.A O no hydrogen 2.910 N/A GLY 397.A N ASN 393.A O no hydrogen 2.890 N/A LYS 398.A N ARG 394.A O no hydrogen 2.928 N/A LYS 398.A NZ GLN 395.A OE1 no hydrogen 3.103 N/A ALA 399.A N VAL 396.A O no hydrogen 3.027 N/A SER 400.A N GLN 395.A O no hydrogen 2.605 N/A CYS 405.A SG THR 402.A OG1 no hydrogen 3.111 N/A TRP 407.A N CYS 360.A O no hydrogen 2.818 N/A TRP 407.A NE1 ILE 375.A O no hydrogen 2.908 N/A GLU 408.A N LEU 239.A O no hydrogen 2.881 N/A ILE 410.A N TYR 237.A O no hydrogen 2.908 N/A ASP 413.A N TYR 280.A OH no hydrogen 3.025 N/A ASP 414.A N ASP 413.A OD1 no hydrogen 2.916 N/A TRP 416.A N ASP 413.A O no hydrogen 3.418 N/A