Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j84_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 THR 57.A O no hydrogen 2.569 N/A LYS 4.A NZ GLU 31.A OE2 no hydrogen 3.509 N/A ILE 5.A N GLU 31.A O no hydrogen 2.926 N/A PHE 6.A N LYS 59.A O no hydrogen 2.867 N/A ILE 7.A N TRP 33.A O no hydrogen 2.954 N/A HIS 9.A ND1 ASP 14.A O no hydrogen 3.324 N/A HIS 9.A NE2 ASP 35.A OD1 no hydrogen 2.295 N/A THR 11.A OG1 HIS 9.A NE2 no hydrogen 2.806 N/A THR 11.A OG1 ASP 35.A OD1 no hydrogen 3.212 N/A THR 11.A OG1 ASP 35.A OD2 no hydrogen 2.311 N/A GLU 13.A N ALA 10.A O no hydrogen 2.850 N/A ASP 14.A N ALA 10.A O no hydrogen 3.082 N/A PHE 17.A N ASP 16.A OD1 no hydrogen 2.728 N/A THR 18.A OG1 HIS 9.A ND1 no hydrogen 2.588 N/A THR 18.A OG1 ASP 14.A O no hydrogen 2.758 N/A ARG 19.A N ASP 15.A O no hydrogen 2.883 N/A TRP 20.A N ASP 16.A O no hydrogen 2.945 N/A LEU 21.A N PHE 17.A O no hydrogen 2.886 N/A SER 22.A N THR 18.A O no hydrogen 2.870 N/A SER 22.A OG THR 18.A O no hydrogen 2.319 N/A SER 22.A OG ARG 19.A O no hydrogen 2.796 N/A LEU 23.A N ARG 19.A O no hydrogen 2.991 N/A LYS 24.A N TRP 20.A O no hydrogen 2.908 N/A LEU 25.A N LEU 21.A O no hydrogen 2.863 N/A ILE 26.A N SER 22.A O no hydrogen 2.919 N/A GLY 27.A N LEU 23.A O no hydrogen 2.912 N/A LEU 28.A N LYS 24.A O no hydrogen 3.301 N/A GLY 29.A N ILE 26.A O no hydrogen 3.242 N/A TYR 30.A N LEU 25.A O no hydrogen 3.019 N/A TRP 33.A N ILE 5.A O no hydrogen 2.870 N/A CYS 34.A SG HIS 9.A NE2 no hydrogen 3.591 N/A CYS 34.A SG ASP 35.A OD1 no hydrogen 3.155 N/A PHE 38.A N ASP 35.A O no hydrogen 3.274 N/A ASP 44.A N ASP 44.A OD1 no hydrogen 2.402 N/A SER 47.A OG ASP 44.A O no hydrogen 2.659 N/A THR 48.A N ASP 44.A O no hydrogen 3.316 N/A THR 48.A OG1 PHE 45.A O no hydrogen 2.756 N/A ILE 49.A N PHE 45.A O no hydrogen 2.912 N/A GLU 50.A N TRP 46.A O no hydrogen 2.891 N/A LYS 51.A N SER 47.A O no hydrogen 2.901 N/A LYS 51.A NZ GLU 55.A OE2 no hydrogen 2.399 N/A GLU 52.A N THR 48.A O no hydrogen 2.929 N/A ILE 53.A N ILE 49.A O no hydrogen 2.914 N/A ARG 54.A N GLU 50.A O no hydrogen 2.886 N/A GLU 55.A N LYS 51.A O no hydrogen 2.953 N/A ASN 56.A N GLU 52.A O no hydrogen 2.919 N/A THR 57.A OG1 LYS 4.A O no hydrogen 3.284 N/A THR 57.A OG1 LYS 59.A O no hydrogen 2.223 N/A CYS 58.A N LYS 4.A O no hydrogen 2.861 N/A ILE 62.A N ILE 95.A O no hydrogen 2.930 N/A SER 64.A N LEU 97.A O no hydrogen 2.900 N/A SER 64.A OG SER 64.A O no hydrogen 2.329 N/A SER 64.A OG LEU 97.A O no hydrogen 3.448 N/A SER 65.A OG ASP 14.A OD2 no hydrogen 3.172 N/A GLY 68.A N SER 65.A OG no hydrogen 3.127 N/A ASN 69.A N THR 66.A O no hydrogen 3.348 N/A ASN 69.A ND2 ASP 107.A O no hydrogen 2.546 N/A LEU 75.A N ARG 71.A O no hydrogen 2.904 N/A LYS 76.A N GLU 72.A O no hydrogen 2.902 N/A LYS 76.A NZ GLY 73.A O no hydrogen 3.533 N/A GLU 77.A N GLY 73.A O no hydrogen 2.962 N/A LEU 78.A N VAL 74.A O no hydrogen 2.888 N/A ALA 79.A N LEU 75.A O no hydrogen 2.893 N/A VAL 80.A N LYS 76.A O no hydrogen 2.960 N/A ALA 81.A N GLU 77.A O no hydrogen 2.887 N/A THR 82.A N LEU 78.A O no hydrogen 2.860 N/A THR 82.A OG1 LEU 78.A O no hydrogen 3.332 N/A THR 82.A OG1 ALA 79.A O no hydrogen 2.372 N/A LYS 83.A N ALA 79.A O no hydrogen 2.956 N/A VAL 84.A N VAL 80.A O no hydrogen 2.928 N/A LYS 85.A N ALA 81.A O no hydrogen 2.830 N/A LYS 86.A N THR 82.A O no hydrogen 2.881 N/A LYS 86.A NZ THR 82.A O no hydrogen 3.475 N/A HIS 87.A N LYS 83.A O no hydrogen 2.939 N/A LEU 88.A N VAL 84.A O no hydrogen 2.875 N/A MET 92.A N ASP 90.A OD1 no hydrogen 2.983 N/A LEU 97.A N ILE 62.A O no hydrogen 2.869 N/A ILE 99.A N LEU 97.A O no hydrogen 3.066 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.365 N/A ASN 102.A N ASP 100.A OD1 no hydrogen 3.056 N/A ASP 107.A N ASP 106.A OD1 no hydrogen 2.785 N/A GLU 111.A N ASN 109.A OD1 no hydrogen 3.059 N/A ILE 112.A N ASN 109.A O no hydrogen 3.183 N/A VAL 113.A N ASN 109.A O no hydrogen 3.099 N/A LEU 115.A N ILE 112.A O no hydrogen 3.170 N/A ILE 118.A N PRO 96.A O no hydrogen 3.433 N/A LYS 121.A N ASP 119.A OD1 no hydrogen 2.832 N/A LYS 122.A N ASP 119.A OD1 no hydrogen 3.433 N/A LYS 122.A NZ ASP 119.A OD2 no hydrogen 2.628 N/A LYS 126.A N SER 123.A OG no hydrogen 3.179 N/A LYS 126.A NZ ASP 130.A OD2 no hydrogen 3.206 N/A GLY 127.A N SER 123.A O no hydrogen 3.184 N/A LEU 128.A N TRP 124.A O no hydrogen 2.875 N/A GLN 129.A N ALA 125.A O no hydrogen 2.892 N/A ASP 130.A N LYS 126.A O no hydrogen 2.915 N/A LEU 131.A N GLY 127.A O no hydrogen 2.879 N/A LEU 132.A N LEU 128.A O no hydrogen 2.862 N/A ASP 133.A N GLN 129.A O no hydrogen 2.945 N/A ALA 134.A N ASP 130.A O no hydrogen 2.912 N/A PHE 135.A N LEU 131.A O no hydrogen 2.855 N/A GLU 136.A N LEU 132.A O no hydrogen 2.924 N/A LYS 137.A N ASP 133.A O no hydrogen 2.910 N/A LYS 137.A N ALA 134.A O no hydrogen 3.216 N/A LYS 137.A NZ GLN 138.A OE1 no hydrogen 3.408 N/A GLN 138.A N ALA 134.A O no hydrogen 3.340 N/A ASN 139.A N GLU 136.A O no hydrogen 3.186 N/A VAL 140.A N PHE 135.A O no hydrogen 2.664 N/A ASP 146.A N GLY 27.A O no hydrogen 3.159 N/A LYS 149.A N ASP 146.A O no hydrogen 3.329 N/A ASN 151.A N HIS 147.A O no hydrogen 2.911 N/A LEU 152.A N SER 148.A O no hydrogen 2.899 N/A LEU 153.A N LYS 149.A O no hydrogen 2.909 N/A TYR 154.A N SER 150.A O no hydrogen 2.893 N/A GLN 155.A N ASN 151.A O no hydrogen 3.181 N/A GLN 156.A N LEU 152.A O no hydrogen 3.270 N/A PHE 158.A N TYR 154.A O no hydrogen 3.078 N/A LYS 162.A NZ ASP 161.A OD1 no hydrogen 2.624 N/A ILE 165.A N SER 415.A O no hydrogen 2.868 N/A LYS 167.A NZ SER 415.A OG no hydrogen 2.719 N/A GLU 169.A N GLY 412.A O no hydrogen 2.928 N/A TYR 171.A N PHE 410.A O no hydrogen 2.876 N/A TYR 171.A OH GLU 169.A OE2 no hydrogen 2.784 N/A SER 173.A OG LEU 408.A O no hydrogen 2.318 N/A ASN 174.A ND2 VAL 337.A O no hydrogen 2.612 N/A PHE 176.A N LEU 335.A O no hydrogen 2.927 N/A ILE 178.A N PRO 333.A O no hydrogen 3.289 N/A ILE 179.A N LEU 402.A O no hydrogen 2.540 N/A ASN 183.A N GLU 399.A OE1 no hydrogen 3.165 N/A LEU 185.A N ILE 241.A O no hydrogen 2.899 N/A ARG 186.A N THR 216.A O no hydrogen 2.918 N/A ARG 186.A NE GLU 184.A OE2 no hydrogen 2.522 N/A ARG 186.A NH1 PHE 217.A O no hydrogen 2.995 N/A ARG 186.A NH1 ALA 218.A O no hydrogen 2.486 N/A PHE 187.A N ILE 239.A O no hydrogen 2.867 N/A HIS 188.A N LEU 214.A O no hydrogen 2.878 N/A ARG 189.A N TYR 233.A OH no hydrogen 2.756 N/A ARG 189.A NE ASP 191.A OD2 no hydrogen 3.326 N/A ARG 189.A NH1 TYR 213.A OH no hydrogen 3.465 N/A ARG 193.A N TYR 190.A O no hydrogen 2.895 N/A ARG 193.A NE TYR 190.A O no hydrogen 2.896 N/A ARG 193.A NH2 TYR 190.A O no hydrogen 3.290 N/A ARG 201.A NE ASP 199.A OD1 no hydrogen 3.078 N/A THR 202.A N ASP 199.A O no hydrogen 3.452 N/A THR 202.A OG1 ASP 199.A O no hydrogen 3.077 N/A LEU 203.A N VAL 200.A O no hydrogen 2.967 N/A ARG 209.A NH2 PRO 195.A O no hydrogen 2.795 N/A LYS 211.A NZ TYR 210.A OH no hydrogen 2.585 N/A GLU 212.A N GLU 212.A OE1 no hydrogen 2.694 N/A TYR 213.A N TYR 210.A O no hydrogen 2.893 N/A LEU 214.A N HIS 188.A O no hydrogen 2.905 N/A CYS 215.A SG ILE 208.A O no hydrogen 3.264 N/A THR 216.A N ARG 186.A O no hydrogen 2.934 N/A ALA 218.A N THR 216.A OG1 no hydrogen 2.869 N/A TYR 221.A OH GLU 231.A O no hydrogen 2.720 N/A TYR 221.A OH TYR 233.A O no hydrogen 3.001 N/A ASP 222.A N TRP 219.A O no hydrogen 3.279 N/A GLN 226.A N GLN 226.A OE1 no hydrogen 2.679 N/A LYS 229.A NZ PRO 228.A O no hydrogen 2.780 N/A THR 230.A OG1 LEU 227.A O no hydrogen 3.221 N/A THR 230.A OG1 PRO 228.A O no hydrogen 3.398 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.651 N/A TYR 233.A N THR 230.A O no hydrogen 3.156 N/A ASN 234.A N GLU 237.A OE2 no hydrogen 2.879 N/A GLY 235.A N ASN 234.A OD1 no hydrogen 2.600 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.583 N/A SER 238.A OG GLY 235.A O no hydrogen 2.909 N/A ILE 239.A N PHE 187.A O no hydrogen 2.914 N/A ILE 241.A N LEU 185.A O no hydrogen 2.929 N/A THR 243.A N ASN 183.A O no hydrogen 3.134 N/A THR 243.A OG1 PRO 182.A O no hydrogen 2.619 N/A SER 244.A OG SER 242.A OG no hydrogen 3.204 N/A ASP 245.A N SER 242.A OG no hydrogen 3.375 N/A ILE 246.A N SER 242.A O no hydrogen 2.896 N/A LEU 247.A N THR 243.A O no hydrogen 2.921 N/A SER 248.A N SER 244.A O no hydrogen 3.157 N/A GLY 249.A N ASP 245.A O no hydrogen 3.490 N/A THR 253.A N ILE 256.A O no hydrogen 3.417 N/A THR 253.A OG1 ASP 254.A OD2 no hydrogen 3.120 N/A ARG 257.A N GLU 260.A OE2 no hydrogen 2.449 N/A ARG 257.A NH1 ASP 254.A O no hydrogen 2.733 N/A ARG 257.A NH2 ASP 254.A O no hydrogen 2.680 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.669 N/A CYS 261.A SG ILE 246.A O no hydrogen 3.723 N/A CYS 261.A SG ASN 258.A O no hydrogen 3.167 N/A CYS 261.A SG ASN 258.A OD1 no hydrogen 3.540 N/A GLN 262.A NE2 LEU 247.A O no hydrogen 3.578 N/A LEU 264.A N GLU 260.A O no hydrogen 2.920 N/A ILE 265.A N CYS 261.A O no hydrogen 2.916 N/A VAL 266.A N GLN 262.A O no hydrogen 2.892 N/A GLN 267.A N ARG 263.A O no hydrogen 2.931 N/A LEU 268.A N LEU 264.A O no hydrogen 2.907 N/A ILE 269.A N ILE 265.A O no hydrogen 2.879 N/A ASN 270.A N VAL 266.A O no hydrogen 2.938 N/A LYS 271.A N GLN 267.A O no hydrogen 2.933 N/A ALA 272.A N LEU 268.A O no hydrogen 2.870 N/A PHE 273.A N ILE 269.A O no hydrogen 2.924 N/A GLU 274.A N ASN 270.A O no hydrogen 2.949 N/A LEU 275.A N LYS 271.A O no hydrogen 2.901 N/A ARG 276.A N ALA 272.A O no hydrogen 2.883 N/A MET 277.A N PHE 273.A O no hydrogen 2.952 N/A LYS 278.A N LEU 275.A O no hydrogen 3.112 N/A LYS 280.A NZ LEU 384.A O no hydrogen 2.294 N/A LYS 280.A NZ ASP 386.A OD1 no hydrogen 3.408 N/A ARG 283.A N TRP 294.A O no hydrogen 2.907 N/A ARG 283.A NH1 GLU 296.A OE2 no hydrogen 2.326 N/A GLU 284.A N GLU 284.A OE1 no hydrogen 2.545 N/A TYR 285.A N ALA 292.A O no hydrogen 2.855 N/A GLN 286.A N GLN 286.A OE1 no hydrogen 2.582 N/A MET 287.A N THR 290.A O no hydrogen 3.125 N/A THR 290.A OG1 SER 324.A OG no hydrogen 2.762 N/A ALA 292.A N TYR 285.A O no hydrogen 2.912 N/A TYR 293.A N ILE 323.A O no hydrogen 3.023 N/A TRP 294.A N ARG 283.A O no hydrogen 2.916 N/A GLY 298.A N ASP 303.A OD1 no hydrogen 2.700 N/A LYS 299.A NZ ASN 281.A O no hydrogen 2.702 N/A LYS 302.A NZ GLU 301.A OE1 no hydrogen 3.401 N/A LYS 302.A NZ GLU 301.A OE2 no hydrogen 2.391 N/A ASP 303.A N LEU 300.A O no hydrogen 3.375 N/A LYS 304.A N GLU 301.A O no hydrogen 2.826 N/A PHE 305.A N ILE 308.A O no hydrogen 2.936 N/A GLY 312.A N TRP 319.A O no hydrogen 2.924 N/A GLN 314.A N LYS 317.A O no hydrogen 2.913 N/A LYS 317.A N GLN 314.A O no hydrogen 2.906 N/A LYS 317.A NZ GLN 314.A OE1 no hydrogen 2.372 N/A TYR 318.A N THR 344.A O no hydrogen 2.902 N/A TRP 319.A N GLY 312.A O no hydrogen 2.885 N/A HIS 320.A N ILE 342.A O no hydrogen 2.891 N/A PHE 321.A N LEU 310.A O no hydrogen 2.745 N/A GLY 322.A N HIS 340.A O no hydrogen 2.907 N/A ILE 323.A N TYR 293.A O no hydrogen 3.185 N/A SER 324.A N SER 338.A O no hydrogen 2.915 N/A SER 324.A OG THR 290.A OG1 no hydrogen 2.762 N/A SER 324.A OG PHE 291.A O no hydrogen 2.720 N/A ALA 326.A N MET 336.A O no hydrogen 2.949 N/A GLY 327.A N ASN 270.A OD1 no hydrogen 2.887 N/A LYS 328.A N VAL 334.A O no hydrogen 2.923 N/A VAL 334.A N LYS 328.A O no hydrogen 2.903 N/A LEU 335.A N PHE 176.A O no hydrogen 2.906 N/A MET 336.A N ALA 326.A O no hydrogen 2.840 N/A VAL 337.A N ASN 174.A O no hydrogen 3.250 N/A SER 338.A N SER 324.A O no hydrogen 2.866 N/A SER 338.A OG SER 324.A O no hydrogen 3.262 N/A SER 338.A OG HIS 340.A NE2 no hydrogen 2.821 N/A HIS 340.A N GLY 322.A O no hydrogen 2.885 N/A HIS 340.A NE2 SER 338.A OG no hydrogen 2.821 N/A ILE 342.A N HIS 320.A O no hydrogen 2.920 N/A THR 344.A N TYR 318.A O no hydrogen 2.896 N/A THR 344.A OG1 HIS 320.A NE2 no hydrogen 2.582 N/A LYS 354.A NZ LYS 352.A O no hydrogen 3.507 N/A SER 355.A OG SER 353.A OG no hydrogen 2.512 N/A HIS 358.A N LYS 354.A O no hydrogen 2.927 N/A SER 359.A N SER 355.A O no hydrogen 2.906 N/A SER 359.A OG SER 355.A O no hydrogen 3.151 N/A SER 359.A OG ILE 356.A O no hydrogen 2.868 N/A SER 360.A N ILE 356.A O no hydrogen 2.907 N/A ARG 361.A N GLN 357.A O no hydrogen 2.914 N/A ARG 362.A NH1 HIS 358.A ND1 no hydrogen 3.496 N/A GLN 364.A N SER 360.A O no hydrogen 2.905 N/A GLN 364.A N ARG 361.A O no hydrogen 3.276 N/A GLY 365.A N ARG 361.A O no hydrogen 2.905 N/A ASN 367.A N ASN 367.A OD1 no hydrogen 2.365 N/A TRP 368.A N GLY 365.A O no hydrogen 3.259 N/A TRP 373.A N ASN 370.A O no hydrogen 3.265 N/A ARG 374.A N ASN 370.A O no hydrogen 2.920 N/A ARG 374.A NE GLU 375.A OE1 no hydrogen 2.740 N/A ARG 374.A NH2 GLU 375.A OE1 no hydrogen 2.790 N/A ARG 374.A NH2 GLU 375.A OE2 no hydrogen 3.149 N/A GLU 375.A N ASP 371.A O no hydrogen 2.936 N/A LEU 377.A N TRP 373.A O no hydrogen 2.935 N/A LEU 378.A N ARG 374.A O no hydrogen 2.919 N/A ALA 379.A N GLU 375.A O no hydrogen 2.879 N/A PHE 380.A N LYS 376.A O no hydrogen 2.920 N/A ILE 381.A N LEU 377.A O no hydrogen 2.953 N/A ARG 382.A N LEU 378.A O no hydrogen 2.878 N/A PHE 383.A N ALA 379.A O no hydrogen 2.886 N/A LEU 384.A N PHE 380.A O no hydrogen 2.934 N/A SER 385.A N ARG 382.A O no hydrogen 3.151 N/A SER 385.A OG ASP 387.A O no hydrogen 2.727 N/A SER 385.A OG ALA 390.A O no hydrogen 2.810 N/A ILE 391.A N ILE 403.A O no hydrogen 2.871 N/A LEU 393.A N ILE 401.A O no hydrogen 2.890 N/A GLY 396.A N GLU 399.A O no hydrogen 2.687 N/A SER 397.A OG ASP 222.A OD2 no hydrogen 2.233 N/A ILE 401.A N LEU 393.A O no hydrogen 2.888 N/A LEU 402.A N SER 180.A O no hydrogen 3.395 N/A ILE 403.A N ILE 391.A O no hydrogen 2.924 N/A SER 404.A N PRO 177.A O no hydrogen 2.830 N/A SER 404.A OG LYS 406.A O no hydrogen 3.121 N/A ASN 405.A ND2 SER 385.A OG no hydrogen 2.983 N/A LEU 408.A N TRP 175.A O no hydrogen 2.987 N/A GLY 412.A N GLU 169.A O no hydrogen 2.888 N/A SER 415.A N ILE 165.A O no hydrogen 2.920 N/A SER 415.A OG TYR 416.A O no hydrogen 3.294 N/A THR 423.A N GLU 421.A OE2 no hydrogen 3.168 N/A THR 423.A OG1 GLU 421.A OE2 no hydrogen 2.305 N/A GLU 425.A N GLU 425.A OE1 no hydrogen 2.746 N/A GLU 426.A N THR 423.A O no hydrogen 2.772 N/A GLU 427.A N GLU 427.A OE1 no hydrogen 2.789 N/A SER 428.A OG GLU 425.A O no hydrogen 2.398 N/A VAL 429.A N GLU 426.A O no hydrogen 2.668 N/A LEU 430.A N GLU 426.A O no hydrogen 2.742 N/A ASP 432.A N VAL 429.A O no hydrogen 2.878 N/A ASN 435.A N ASP 432.A O no hydrogen 2.808 N/A THR 440.A N GLU 437.A OE2 no hydrogen 3.502 N/A THR 440.A OG1 GLU 437.A OE2 no hydrogen 3.051 N/A THR 440.A OG1 GLU 445.A OE2 no hydrogen 3.402 N/A GLU 445.A N GLU 441.A O no hydrogen 2.951 N/A LEU 446.A N ASP 442.A O no hydrogen 3.333 N/A GLU 447.A N LEU 443.A O no hydrogen 3.215 N/A ASP 448.A N ASP 444.A O no hydrogen 2.805 N/A ILE 449.A N LEU 446.A O no hydrogen 3.329 N/A