Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jle_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N VAL 5.A O no hydrogen 3.016 N/A LYS 10.A N ARG 80.A O no hydrogen 2.838 N/A LYS 10.A NZ LYS 79.A O no hydrogen 2.905 N/A MET 13.A N LYS 10.A O no hydrogen 3.051 N/A VAL 18.A N ASN 54.A O no hydrogen 3.092 N/A GLN 20.A NE2 TRP 21.A O no hydrogen 2.842 N/A GLN 20.A NE2 VAL 57.A O no hydrogen 3.119 N/A LYS 27.A N THR 24.A OG1 no hydrogen 3.235 N/A LYS 27.A NZ GLU 378.A OE2 no hydrogen 2.420 N/A ILE 28.A N THR 24.A O no hydrogen 3.001 N/A LYS 29.A N GLU 25.A O no hydrogen 2.670 N/A ALA 30.A N GLU 26.A O no hydrogen 2.867 N/A LEU 31.A N LYS 27.A O no hydrogen 2.950 N/A VAL 32.A N ILE 28.A O no hydrogen 2.897 N/A GLU 33.A N LYS 29.A O no hydrogen 2.914 N/A ILE 34.A N ALA 30.A O no hydrogen 2.656 N/A CYS 35.A N LEU 31.A O no hydrogen 2.555 N/A THR 36.A N VAL 32.A O no hydrogen 3.070 N/A THR 36.A N GLU 33.A O no hydrogen 2.994 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.783 N/A GLU 37.A N GLU 33.A O no hydrogen 3.337 N/A MET 38.A N ILE 34.A O no hydrogen 3.364 N/A GLU 39.A N CYS 35.A O no hydrogen 3.109 N/A LYS 40.A N THR 36.A O no hydrogen 2.920 N/A GLU 41.A N GLU 37.A O no hydrogen 2.666 N/A GLY 42.A N GLU 39.A O no hydrogen 2.989 N/A ILE 44.A N MET 38.A O no hydrogen 3.346 N/A SER 45.A N GLN 139.A O no hydrogen 3.340 N/A SER 45.A OG ASN 141.A OD1 no hydrogen 3.097 N/A LYS 46.A NZ GLU 39.A OE1 no hydrogen 3.312 N/A ILE 47.A N ARG 137.A O no hydrogen 2.921 N/A ASN 51.A ND2 LYS 120.A O no hydrogen 3.382 N/A ASN 54.A N PRO 16.A O no hydrogen 2.778 N/A VAL 57.A N GLN 20.A OE1 no hydrogen 2.904 N/A PHE 58.A N LEU 71.A O no hydrogen 2.803 N/A ILE 60.A N ARG 69.A O no hydrogen 2.695 N/A LYS 61.A NZ THR 66.A O no hydrogen 2.995 N/A THR 66.A OG1 ASP 64.A O no hydrogen 3.433 N/A ARG 69.A N ILE 60.A O no hydrogen 2.574 N/A LEU 71.A N PHE 58.A O no hydrogen 3.101 N/A ASP 73.A N PRO 56.A O no hydrogen 2.936 N/A ASN 78.A N PHE 74.A O no hydrogen 2.517 N/A ASN 78.A ND2 GLY 146.A O no hydrogen 3.117 N/A LYS 79.A N ARG 75.A O no hydrogen 2.906 N/A ARG 80.A N LEU 77.A O no hydrogen 2.383 N/A ARG 80.A NH1 ASP 14.A O no hydrogen 3.244 N/A ARG 80.A NH2 GLU 76.A OE2 no hydrogen 2.961 N/A THR 81.A N LEU 77.A O no hydrogen 2.940 N/A THR 81.A N ASN 78.A O no hydrogen 3.178 N/A THR 81.A OG1 LEU 77.A O no hydrogen 3.106 N/A GLN 82.A N LYS 8.A O no hydrogen 3.201 N/A GLY 93.A N PRO 91.A O no hydrogen 2.278 N/A LYS 96.A N GLY 93.A O no hydrogen 2.416 N/A LYS 97.A N GLY 93.A O no hydrogen 3.139 N/A LYS 97.A N LEU 94.A O no hydrogen 3.312 N/A LYS 97.A NZ ASP 171.A O no hydrogen 2.682 N/A LYS 97.A NZ ASP 186.A OD1 no hydrogen 3.038 N/A SER 99.A OG LYS 98.A O no hydrogen 2.559 N/A VAL 100.A N LEU 208.A O no hydrogen 3.118 N/A THR 101.A N VAL 183.A O no hydrogen 2.739 N/A THR 101.A OG1 HIS 192.A NE2 no hydrogen 2.691 N/A THR 101.A OG1 GLU 207.A OE2 no hydrogen 3.372 N/A LEU 103.A N LEU 181.A O no hydrogen 2.651 N/A VAL 105.A N ASP 179.A O no hydrogen 2.825 N/A GLY 106.A N ASP 104.A OD2 no hydrogen 3.389 N/A ASP 107.A N ASP 107.A OD2 no hydrogen 2.327 N/A ALA 108.A N VAL 105.A O no hydrogen 2.828 N/A TYR 109.A N GLY 106.A O no hydrogen 2.629 N/A TYR 109.A OH MET 178.A O no hydrogen 2.634 N/A PHE 110.A N ASP 107.A O no hydrogen 2.878 N/A SER 111.A N ALA 108.A O no hydrogen 3.366 N/A SER 111.A OG ALA 108.A O no hydrogen 2.624 N/A VAL 112.A N TYR 109.A O no hydrogen 2.973 N/A LEU 114.A N ASN 141.A O no hydrogen 2.757 N/A ASP 117.A N ASP 115.A OD1 no hydrogen 3.368 N/A PHE 118.A N ASP 115.A O no hydrogen 3.099 N/A ARG 119.A N ASP 115.A O no hydrogen 3.384 N/A ARG 119.A NE LEU 114.A O no hydrogen 2.889 N/A ARG 119.A NH2 LEU 114.A O no hydrogen 3.113 N/A TYR 121.A N PHE 118.A O no hydrogen 2.849 N/A THR 122.A N ARG 119.A O no hydrogen 2.913 N/A THR 122.A OG1 ARG 119.A O no hydrogen 2.537 N/A ALA 123.A N LYS 120.A O no hydrogen 3.293 N/A ILE 126.A N ILE 136.A O no hydrogen 2.779 N/A SER 128.A OG THR 133.A O no hydrogen 2.539 N/A ASN 131.A N SER 128.A O no hydrogen 3.034 N/A GLU 132.A N ILE 129.A O no hydrogen 3.305 N/A THR 133.A N SER 128.A OG no hydrogen 3.035 N/A THR 133.A OG1 PRO 134.A O no hydrogen 2.629 N/A ILE 136.A N ILE 126.A O no hydrogen 2.437 N/A ARG 137.A NE GLY 48.A O no hydrogen 3.278 N/A ARG 137.A NH2 ASN 51.A O no hydrogen 3.015 N/A ARG 137.A NH2 TYR 53.A O no hydrogen 2.437 N/A TYR 138.A N PHE 124.A O no hydrogen 3.267 N/A GLN 139.A NE2 ASN 51.A OD1 no hydrogen 3.623 N/A TYR 140.A N THR 122.A OG1 no hydrogen 3.015 N/A ASN 141.A N LYS 43.A O no hydrogen 2.814 N/A ASN 141.A ND2 SER 45.A OG no hydrogen 3.332 N/A LEU 143.A N VAL 112.A O no hydrogen 2.900 N/A GLN 145.A NE2 ASP 179.A OD1 no hydrogen 2.785 N/A GLY 146.A N ASP 179.A OD2 no hydrogen 3.053 N/A TRP 147.A NE1 THR 81.A OG1 no hydrogen 3.098 N/A LYS 148.A N ASN 78.A OD1 no hydrogen 2.959 N/A LYS 148.A NZ THR 81.A O no hydrogen 2.878 N/A LYS 148.A NZ ASP 83.A OD2 no hydrogen 2.510 N/A SER 150.A OG PRO 144.A O no hydrogen 2.784 N/A ILE 153.A N GLY 149.A O no hydrogen 3.138 N/A PHE 154.A N SER 150.A O no hydrogen 3.061 N/A GLN 155.A NE2 PRO 151.A O no hydrogen 2.764 N/A GLN 155.A NE2 GLN 176.A OE1 no hydrogen 2.914 N/A MET 158.A N PHE 154.A O no hydrogen 3.249 N/A THR 159.A N GLN 155.A O no hydrogen 2.999 N/A THR 159.A OG1 GLN 155.A O no hydrogen 3.448 N/A THR 159.A OG1 SER 156.A O no hydrogen 2.375 N/A LYS 160.A N SER 156.A O no hydrogen 3.280 N/A ILE 161.A N SER 157.A O no hydrogen 2.927 N/A LEU 162.A N MET 158.A O no hydrogen 3.022 N/A GLU 163.A N THR 159.A O no hydrogen 2.764 N/A PHE 165.A N LEU 162.A O no hydrogen 2.695 N/A ARG 166.A N LEU 162.A O no hydrogen 2.778 N/A ARG 166.A NH2 ILE 174.A O no hydrogen 2.924 N/A LYS 167.A N GLU 163.A O no hydrogen 2.380 N/A ASN 169.A N PHE 165.A O no hydrogen 2.532 N/A VAL 173.A N GLY 184.A O no hydrogen 2.675 N/A TYR 175.A N CYS 182.A O no hydrogen 2.527 N/A ASP 180.A N TYR 177.A O no hydrogen 2.717 N/A CYS 182.A N TYR 175.A O no hydrogen 2.398 N/A VAL 183.A N THR 101.A O no hydrogen 2.698 N/A GLY 184.A N VAL 173.A O no hydrogen 2.656 N/A SER 185.A N SER 99.A O no hydrogen 3.124 N/A SER 185.A OG HIS 192.A ND1 no hydrogen 2.635 N/A GLU 188.A N GLN 191.A OE1 no hydrogen 2.992 N/A GLY 190.A N GLU 188.A OE1 no hydrogen 2.782 N/A HIS 192.A N GLU 188.A O no hydrogen 2.963 N/A HIS 192.A ND1 SER 185.A OG no hydrogen 2.635 N/A HIS 192.A NE2 THR 101.A OG1 no hydrogen 2.691 N/A ARG 193.A N ILE 189.A O no hydrogen 3.161 N/A THR 194.A N GLY 190.A O no hydrogen 2.966 N/A THR 194.A OG1 GLY 190.A O no hydrogen 2.816 N/A ILE 196.A N HIS 192.A O no hydrogen 2.941 N/A GLU 197.A N ARG 193.A O no hydrogen 3.125 N/A GLU 198.A N THR 194.A O no hydrogen 2.937 N/A LEU 199.A N LYS 195.A O no hydrogen 2.946 N/A ARG 200.A N ILE 196.A O no hydrogen 2.597 N/A ARG 200.A NH1 GLU 197.A OE1 no hydrogen 3.278 N/A GLN 201.A N GLU 197.A O no hydrogen 2.772 N/A HIS 202.A N GLU 198.A O no hydrogen 2.815 N/A LEU 203.A N LEU 199.A O no hydrogen 3.163 N/A LEU 204.A N ARG 200.A O no hydrogen 2.799 N/A ARG 205.A N GLN 201.A O no hydrogen 2.586 N/A TRP 206.A N LEU 203.A O no hydrogen 2.690 N/A LEU 208.A N VAL 100.A O no hydrogen 2.774 N/A LYS 212.A N HIS 209.A O no hydrogen 2.892 N/A GLN 216.A NE2 THR 214.A O no hydrogen 3.430 N/A VAL 219.A N LEU 403.A O no hydrogen 2.803 N/A ASP 224.A N ASP 224.A OD2 no hydrogen 2.273 N/A THR 227.A N ASP 230.A OD1 no hydrogen 3.379 N/A VAL 228.A N GLU 265.A O no hydrogen 3.039 N/A ASN 229.A N LEU 263.A O no hydrogen 3.223 N/A ASN 229.A ND2 GLN 232.A OE1 no hydrogen 3.453 N/A ASP 230.A N THR 227.A OG1 no hydrogen 2.909 N/A ILE 231.A N THR 227.A O no hydrogen 2.976 N/A GLN 232.A N VAL 228.A O no hydrogen 2.974 N/A LYS 233.A N ASN 229.A O no hydrogen 2.829 N/A LEU 234.A N ASP 230.A O no hydrogen 3.170 N/A VAL 235.A N ILE 231.A O no hydrogen 2.726 N/A GLY 236.A N GLN 232.A O no hydrogen 2.956 N/A LYS 237.A N LYS 233.A O no hydrogen 3.092 N/A LEU 238.A N LEU 234.A O no hydrogen 2.990 N/A ASN 239.A N VAL 235.A O no hydrogen 2.792 N/A TRP 240.A N GLY 236.A O no hydrogen 3.177 N/A TRP 240.A N LYS 237.A O no hydrogen 3.066 N/A ALA 241.A N LYS 237.A O no hydrogen 2.799 N/A SER 242.A N LEU 238.A O no hydrogen 2.971 N/A SER 242.A OG ASN 239.A O no hydrogen 2.550 N/A GLN 243.A N TRP 240.A O no hydrogen 2.779 N/A ILE 244.A N ALA 241.A O no hydrogen 2.584 N/A TYR 245.A N ALA 241.A O no hydrogen 2.979 N/A TYR 245.A OH GLU 286.A O no hydrogen 2.818 N/A ILE 248.A N TYR 245.A O no hydrogen 3.239 N/A LYS 249.A N ASN 280.A OD1 no hydrogen 2.747 N/A GLN 252.A N GLU 276.A OE1 no hydrogen 2.909 N/A GLN 252.A NE2 GLU 272.A OE1 no hydrogen 3.462 N/A CYS 254.A N VAL 250.A O no hydrogen 3.240 N/A CYS 254.A SG VAL 250.A O no hydrogen 3.051 N/A LYS 255.A NZ GLN 252.A OE1 no hydrogen 3.061 N/A ARG 258.A N LYS 255.A O no hydrogen 2.869 N/A THR 260.A OG1 THR 260.A O no hydrogen 2.580 N/A GLU 265.A N ALA 262.A O no hydrogen 3.066 N/A ILE 267.A N TRP 226.A O no hydrogen 2.710 N/A THR 270.A OG1 GLU 272.A OE1 no hydrogen 3.506 N/A ALA 273.A N THR 270.A OG1 no hydrogen 3.141 N/A GLU 274.A N THR 270.A O no hydrogen 2.686 N/A LEU 275.A N GLU 271.A O no hydrogen 2.993 N/A GLU 276.A N GLU 272.A O no hydrogen 2.529 N/A LEU 277.A N ALA 273.A O no hydrogen 2.878 N/A ALA 278.A N GLU 274.A O no hydrogen 3.383 N/A GLU 279.A N LEU 275.A O no hydrogen 2.487 N/A ASN 280.A N GLU 276.A O no hydrogen 2.883 N/A ASN 280.A ND2 LYS 249.A O no hydrogen 2.632 N/A ARG 281.A N LEU 277.A O no hydrogen 2.542 N/A ARG 281.A NH2 PRO 221.A O no hydrogen 2.946 N/A GLU 282.A N ALA 278.A O no hydrogen 3.013 N/A ILE 283.A N GLU 279.A O no hydrogen 3.262 N/A LEU 284.A N ASN 280.A O no hydrogen 3.071 N/A LYS 285.A N GLU 282.A O no hydrogen 2.945 N/A ASP 294.A N GLN 317.A OE1 no hydrogen 2.697 N/A SER 296.A N ASP 294.A OD1 no hydrogen 2.462 N/A LYS 297.A N ASP 294.A O no hydrogen 2.979 N/A LYS 297.A N ASP 294.A OD1 no hydrogen 3.024 N/A LYS 297.A NZ GLU 318.A OE1 no hydrogen 2.618 N/A ILE 300.A N TYR 316.A O no hydrogen 2.616 N/A ALA 301.A N LYS 362.A O no hydrogen 2.926 N/A GLU 302.A N GLN 314.A O no hydrogen 3.023 N/A ILE 303.A N LYS 364.A O no hydrogen 3.466 N/A GLN 304.A N THR 312.A O no hydrogen 2.734 N/A GLN 304.A NE2 GLU 302.A OE2 no hydrogen 2.844 N/A GLN 304.A NE2 GLN 314.A OE1 no hydrogen 3.018 N/A LYS 305.A NZ ASP 338.A OD1 no hydrogen 2.561 N/A GLN 306.A N GLN 310.A O no hydrogen 3.103 N/A GLN 306.A NE2 LYS 398.A O no hydrogen 3.405 N/A GLN 310.A N GLY 307.A O no hydrogen 2.472 N/A TRP 311.A N TYR 328.A O no hydrogen 2.969 N/A TRP 311.A NE1 GLN 341.A OE1 no hydrogen 3.156 N/A THR 312.A N GLN 304.A O no hydrogen 2.941 N/A THR 312.A OG1 GLN 304.A OE1 no hydrogen 2.876 N/A TYR 313.A N GLY 326.A O no hydrogen 2.670 N/A GLN 314.A N GLU 302.A O no hydrogen 2.935 N/A GLN 314.A NE2 GLN 304.A OE1 no hydrogen 2.845 N/A ILE 315.A N LYS 324.A O no hydrogen 2.873 N/A TYR 316.A N ILE 300.A O no hydrogen 2.814 N/A GLN 317.A NE2 ASP 294.A O no hydrogen 2.568 N/A GLN 317.A NE2 LYS 297.A O no hydrogen 2.838 N/A LYS 321.A N GLU 318.A O no hydrogen 2.949 N/A ASN 322.A ND2 TYR 401.A OH no hydrogen 3.038 N/A LEU 323.A N ILE 315.A O no hydrogen 2.788 N/A LYS 324.A N ILE 315.A O no hydrogen 3.194 N/A THR 325.A OG1 GLN 216.A O no hydrogen 3.043 N/A THR 325.A OG1 GLU 404.A OE2 no hydrogen 3.148 N/A GLY 326.A N TYR 313.A O no hydrogen 2.696 N/A TYR 328.A N TRP 311.A O no hydrogen 2.671 N/A TYR 328.A OH GLU 344.A OE1 no hydrogen 2.965 N/A ARG 330.A N GLY 309.A O no hydrogen 3.119 N/A MET 331.A N GLU 344.A OE1 no hydrogen 3.302 N/A ASN 337.A N ALA 334.A O no hydrogen 2.699 N/A ASN 337.A ND2 TYR 379.A OH no hydrogen 2.741 N/A LYS 340.A N ASN 337.A OD1 no hydrogen 3.171 N/A GLN 341.A N ASN 337.A O no hydrogen 3.140 N/A GLN 341.A NE2 ALA 334.A O no hydrogen 3.045 N/A GLN 341.A NE2 HIS 335.A O no hydrogen 3.047 N/A GLN 341.A NE2 ASN 337.A O no hydrogen 3.458 N/A LEU 342.A N ASP 338.A O no hydrogen 2.957 N/A THR 343.A N VAL 339.A O no hydrogen 2.912 N/A THR 343.A OG1 VAL 339.A O no hydrogen 2.168 N/A THR 343.A OG1 LYS 340.A O no hydrogen 2.803 N/A GLU 344.A N LYS 340.A O no hydrogen 2.653 N/A ALA 345.A N GLN 341.A O no hydrogen 2.682 N/A VAL 346.A N LEU 342.A O no hydrogen 2.816 N/A GLN 347.A N THR 343.A O no hydrogen 3.207 N/A GLN 347.A NE2 THR 343.A O no hydrogen 3.283 N/A GLN 347.A NE2 TYR 379.A O no hydrogen 3.209 N/A LYS 348.A N GLU 344.A O no hydrogen 2.941 N/A ILE 349.A N ALA 345.A O no hydrogen 2.844 N/A ILE 349.A N VAL 346.A O no hydrogen 3.108 N/A THR 350.A N VAL 346.A O no hydrogen 2.849 N/A THR 350.A OG1 VAL 346.A O no hydrogen 2.824 N/A THR 351.A N GLN 347.A O no hydrogen 2.746 N/A THR 351.A OG1 GLN 347.A O no hydrogen 2.717 N/A SER 353.A N ILE 349.A O no hydrogen 2.892 N/A SER 353.A OG ILE 349.A O no hydrogen 2.560 N/A ILE 354.A N THR 350.A O no hydrogen 3.169 N/A ILE 354.A N THR 351.A O no hydrogen 3.108 N/A VAL 355.A N THR 351.A O no hydrogen 3.002 N/A ILE 356.A N GLU 352.A O no hydrogen 2.886 N/A TRP 357.A N SER 353.A O no hydrogen 3.270 N/A GLY 358.A N ILE 354.A O no hydrogen 2.379 N/A LYS 359.A N SER 353.A O no hydrogen 3.196 N/A LYS 359.A NZ PRO 295.A O no hydrogen 3.539 N/A LYS 359.A NZ LYS 297.A O no hydrogen 3.009 N/A LYS 362.A N LEU 299.A O no hydrogen 2.899 N/A LYS 362.A NZ GLU 389.A OE1 no hydrogen 3.460 N/A PHE 363.A N GLU 387.A O no hydrogen 2.683 N/A LYS 364.A N ALA 301.A O no hydrogen 3.066 N/A LYS 364.A NZ GLU 389.A OE1 no hydrogen 3.248 N/A LYS 364.A NZ GLU 389.A OE2 no hydrogen 2.938 N/A LEU 365.A N GLU 389.A O no hydrogen 2.857 N/A TRP 372.A N GLN 368.A O no hydrogen 2.924 N/A GLU 373.A N LYS 369.A O no hydrogen 2.779 N/A THR 374.A N GLU 370.A O no hydrogen 3.061 N/A THR 374.A N THR 371.A O no hydrogen 3.032 N/A THR 374.A OG1 GLU 370.A O no hydrogen 2.500 N/A TRP 375.A N TRP 372.A O no hydrogen 3.374 N/A TRP 376.A N TRP 372.A O no hydrogen 3.040 N/A GLU 378.A N TRP 375.A O no hydrogen 2.917 N/A TYR 379.A N TRP 376.A O no hydrogen 2.716 N/A TRP 380.A N THR 377.A O no hydrogen 3.473 N/A GLN 381.A N GLN 347.A OE1 no hydrogen 2.850 N/A THR 383.A OG1 ASP 180.A OD2 no hydrogen 3.046 N/A GLU 389.A N PHE 363.A O no hydrogen 3.076 N/A VAL 391.A N LEU 365.A O no hydrogen 2.710 N/A LEU 399.A N PRO 395.A O no hydrogen 3.198 N/A TRP 400.A N LEU 396.A O no hydrogen 2.931 N/A TYR 401.A N VAL 397.A O no hydrogen 3.238 N/A LEU 403.A N TRP 400.A O no hydrogen 2.641 N/A LYS 405.A NZ GLN 216.A OE1 no hydrogen 2.788 N/A