Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u86_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 6.A N ALA 3.A O no hydrogen 2.866 N/A ASN 7.A N ALA 3.A O no hydrogen 2.910 N/A ARG 9.A N HIS 6.A O no hydrogen 3.406 N/A SER 10.A OG VAL 77.A O no hydrogen 2.510 N/A LEU 12.A N HIS 8.A O no hydrogen 2.986 N/A CYS 14.A N SER 10.A O no hydrogen 2.915 N/A CYS 14.A SG SER 10.A O no hydrogen 3.280 N/A LEU 15.A N GLN 11.A O no hydrogen 2.916 N/A ALA 16.A N LEU 12.A O no hydrogen 2.862 N/A THR 17.A N PHE 13.A O no hydrogen 2.895 N/A THR 17.A OG1 PHE 13.A O no hydrogen 2.779 N/A TYR 18.A N CYS 14.A O no hydrogen 2.931 N/A TYR 18.A OH ASP 53.A OD1 no hydrogen 2.237 N/A ALA 19.A N LEU 15.A O no hydrogen 2.904 N/A GLY 20.A N ALA 16.A O no hydrogen 2.850 N/A LEU 21.A N THR 17.A O no hydrogen 2.898 N/A HIS 22.A N TYR 18.A O no hydrogen 2.971 N/A HIS 22.A NE2 ASP 53.A OD1 no hydrogen 3.081 N/A VAL 23.A N ALA 19.A O no hydrogen 2.906 N/A LEU 24.A N GLY 20.A O no hydrogen 2.867 N/A LEU 25.A N LEU 21.A O no hydrogen 2.944 N/A PHE 26.A N HIS 22.A O no hydrogen 2.860 N/A GLY 27.A N VAL 23.A O no hydrogen 2.921 N/A LEU 28.A N LEU 24.A O no hydrogen 2.857 N/A ALA 29.A N LEU 25.A O no hydrogen 2.911 N/A ALA 30.A N PHE 26.A O no hydrogen 2.895 N/A SER 31.A N GLY 27.A O no hydrogen 2.908 N/A SER 31.A OG LEU 28.A O no hydrogen 3.133 N/A ALA 32.A N LEU 28.A O no hydrogen 3.265 N/A ALA 38.A N LEU 36.A O no hydrogen 3.215 N/A SER 39.A OG ALA 104.A O no hydrogen 3.030 N/A LYS 44.A N VAL 40.A O no hydrogen 2.864 N/A GLY 45.A N MET 41.A O no hydrogen 2.954 N/A CYS 46.A N VAL 42.A O no hydrogen 2.946 N/A CYS 46.A SG VAL 42.A O no hydrogen 3.133 N/A GLY 47.A N ALA 43.A O no hydrogen 2.857 N/A GLN 48.A N LYS 44.A O no hydrogen 2.977 N/A CYS 49.A N GLY 45.A O no hydrogen 3.014 N/A CYS 49.A SG GLY 45.A O no hydrogen 3.340 N/A LEU 50.A N CYS 46.A O no hydrogen 2.865 N/A ASN 51.A N GLY 47.A O no hydrogen 2.901 N/A PHE 52.A N GLN 48.A O no hydrogen 3.065 N/A ASP 53.A N CYS 49.A O no hydrogen 2.944 N/A CYS 54.A N LEU 50.A O no hydrogen 2.909 N/A SER 55.A N PHE 52.A O no hydrogen 3.322 N/A SER 55.A OG ASN 51.A O no hydrogen 2.434 N/A SER 55.A OG PHE 52.A O no hydrogen 2.394 N/A PHE 56.A N PHE 52.A O no hydrogen 3.027 N/A ILE 57.A N ASP 53.A O no hydrogen 2.919 N/A LEU 60.A N PHE 56.A O no hydrogen 3.096 N/A MET 61.A N ALA 58.A O no hydrogen 2.996 N/A ARG 63.A NH1 ARG 63.A O no hydrogen 3.278 N/A ARG 63.A NH1 ASP 282.A OD2 no hydrogen 3.548 N/A ARG 63.A NH2 ASP 282.A OD2 no hydrogen 3.000 N/A LEU 66.A N LEU 62.A O no hydrogen 2.896 N/A THR 67.A OG1 ARG 64.A O no hydrogen 3.177 N/A LEU 69.A N CYS 65.A O no hydrogen 2.894 N/A ARG 70.A N LEU 66.A O no hydrogen 2.863 N/A ARG 70.A NE ASP 81.A OD2 no hydrogen 2.887 N/A ARG 70.A NH2 ASP 81.A OD1 no hydrogen 3.392 N/A THR 72.A OG1 LEU 69.A O no hydrogen 3.356 N/A LEU 74.A N THR 72.A OG1 no hydrogen 3.131 N/A ALA 75.A N THR 72.A O no hydrogen 2.802 N/A GLN 76.A N THR 72.A O no hydrogen 2.973 N/A VAL 77.A N TRP 73.A O no hydrogen 2.909 N/A LEU 78.A N LEU 74.A O no hydrogen 3.248 N/A ASN 83.A ND2 LEU 60.A O no hydrogen 3.092 N/A GLN 85.A NE2 GLN 82.A OE1 no hydrogen 2.145 N/A PHE 86.A N GLN 82.A O no hydrogen 2.750 N/A HIS 87.A N ASN 83.A O no hydrogen 2.907 N/A GLN 88.A N ILE 84.A O no hydrogen 2.930 N/A MET 90.A N PHE 86.A O no hydrogen 2.918 N/A GLY 91.A N HIS 87.A O no hydrogen 2.877 N/A TYR 92.A N GLN 88.A O no hydrogen 2.922 N/A VAL 93.A N LEU 89.A O no hydrogen 2.936 N/A VAL 94.A N MET 90.A O no hydrogen 2.887 N/A VAL 95.A N GLY 91.A O no hydrogen 2.975 N/A GLY 96.A N TYR 92.A O no hydrogen 2.952 N/A LEU 97.A N VAL 93.A O no hydrogen 2.851 N/A SER 98.A N VAL 94.A O no hydrogen 2.895 N/A SER 98.A OG VAL 95.A O no hydrogen 3.217 N/A LEU 99.A N VAL 95.A O no hydrogen 2.940 N/A VAL 100.A N GLY 96.A O no hydrogen 3.006 N/A HIS 101.A N LEU 97.A O no hydrogen 2.835 N/A THR 102.A N SER 98.A O no hydrogen 2.894 N/A THR 102.A OG1 SER 98.A O no hydrogen 2.930 N/A VAL 103.A N LEU 99.A O no hydrogen 2.952 N/A ALA 104.A N VAL 100.A O no hydrogen 2.859 N/A HIS 105.A N HIS 101.A O no hydrogen 2.941 N/A THR 106.A N THR 102.A O no hydrogen 2.856 N/A THR 106.A OG1 THR 102.A O no hydrogen 2.835 N/A VAL 107.A N VAL 103.A O no hydrogen 2.946 N/A ASN 108.A N ALA 104.A O no hydrogen 2.907 N/A PHE 109.A N HIS 105.A O no hydrogen 2.848 N/A VAL 110.A N THR 106.A O no hydrogen 2.907 N/A LEU 111.A N VAL 107.A O no hydrogen 2.906 N/A GLN 112.A N ASN 108.A O no hydrogen 2.905 N/A ALA 113.A N VAL 110.A O no hydrogen 3.050 N/A THR 120.A N SER 116.A O no hydrogen 2.932 N/A THR 120.A OG1 SER 116.A O no hydrogen 2.714 N/A GLY 121.A N ALA 117.A O no hydrogen 2.851 N/A VAL 122.A N SER 118.A O no hydrogen 2.939 N/A ALA 123.A N PRO 119.A O no hydrogen 2.985 N/A LEU 124.A N THR 120.A O no hydrogen 2.897 N/A LEU 125.A N GLY 121.A O no hydrogen 2.861 N/A LEU 126.A N VAL 122.A O no hydrogen 2.965 N/A LEU 127.A N ALA 123.A O no hydrogen 2.945 N/A LEU 128.A N LEU 124.A O no hydrogen 2.889 N/A LEU 129.A N LEU 125.A O no hydrogen 2.933 N/A LEU 130.A N LEU 126.A O no hydrogen 2.918 N/A MET 131.A N LEU 127.A O no hydrogen 2.921 N/A PHE 132.A N LEU 128.A O no hydrogen 2.890 N/A ILE 133.A N LEU 129.A O no hydrogen 2.901 N/A CYS 134.A N LEU 130.A O no hydrogen 2.859 N/A SER 135.A N PHE 132.A O no hydrogen 3.481 N/A SER 135.A OG MET 131.A O no hydrogen 2.453 N/A SER 136.A N ILE 133.A O no hydrogen 3.503 N/A SER 136.A OG PHE 132.A O no hydrogen 3.448 N/A ARG 140.A NE GLU 238.A OE2 no hydrogen 2.473 N/A ARG 140.A NH2 GLU 238.A OE1 no hydrogen 3.182 N/A ARG 140.A NH2 GLU 238.A OE2 no hydrogen 3.058 N/A ARG 141.A N SER 137.A O no hydrogen 2.890 N/A SER 142.A OG CYS 138.A O no hydrogen 3.486 N/A HIS 144.A N SER 142.A O no hydrogen 2.654 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.668 N/A TRP 150.A N GLU 146.A O no hydrogen 3.207 N/A THR 151.A N VAL 147.A O no hydrogen 2.916 N/A THR 151.A OG1 CYS 134.A O no hydrogen 3.411 N/A THR 151.A OG1 VAL 147.A O no hydrogen 2.770 N/A HIS 152.A N PHE 148.A O no hydrogen 2.865 N/A LEU 153.A N TRP 150.A O no hydrogen 2.810 N/A SER 154.A OG THR 151.A O no hydrogen 3.439 N/A LEU 156.A N LEU 153.A O no hydrogen 3.354 N/A VAL 158.A N SER 154.A O no hydrogen 2.937 N/A TRP 159.A N TYR 155.A O no hydrogen 2.900 N/A TRP 159.A NE1 CYS 54.A O no hydrogen 2.696 N/A LEU 160.A N LEU 156.A O no hydrogen 2.870 N/A LEU 161.A N LEU 157.A O no hydrogen 2.902 N/A LEU 162.A N VAL 158.A O no hydrogen 2.901 N/A ILE 163.A N TRP 159.A O no hydrogen 2.922 N/A ILE 163.A N LEU 160.A O no hydrogen 3.196 N/A HIS 165.A N LEU 162.A O no hydrogen 3.370 N/A GLY 166.A N LEU 162.A O no hydrogen 3.124 N/A PHE 169.A N GLY 166.A O no hydrogen 3.418 N/A LEU 173.A N PHE 169.A O no hydrogen 2.910 N/A GLY 177.A N LEU 173.A O no hydrogen 2.644 N/A ILE 178.A N LEU 174.A O no hydrogen 3.100 N/A LEU 179.A N VAL 175.A O no hydrogen 2.950 N/A PHE 180.A N PRO 176.A O no hydrogen 2.856 N/A PHE 181.A N GLY 177.A O no hydrogen 2.941 N/A LEU 182.A N ILE 178.A O no hydrogen 2.855 N/A GLU 183.A N LEU 179.A O no hydrogen 2.923 N/A LYS 184.A N PHE 180.A O no hydrogen 2.905 N/A ALA 185.A N PHE 181.A O no hydrogen 2.895 N/A ILE 186.A N LEU 182.A O no hydrogen 2.889 N/A GLY 187.A N GLU 183.A O no hydrogen 3.230 N/A SER 191.A N LEU 188.A O no hydrogen 3.231 N/A ALA 194.A N ILE 281.A O no hydrogen 3.245 N/A VAL 196.A N ALA 194.A O no hydrogen 2.629 N/A MET 199.A N LEU 212.A O no hydrogen 2.830 N/A GLU 200.A N LEU 212.A O no hydrogen 2.964 N/A ASN 202.A N HIS 210.A O no hydrogen 2.894 N/A SER 206.A OG ARG 358.A O no hydrogen 3.246 N/A SER 206.A OG GLU 361.A OE1 no hydrogen 3.544 N/A SER 206.A OG GLU 361.A OE2 no hydrogen 3.439 N/A THR 209.A N ILE 258.A O no hydrogen 2.919 N/A HIS 210.A N ASN 202.A O no hydrogen 2.862 N/A LEU 211.A N LEU 256.A O no hydrogen 2.850 N/A LEU 212.A N GLU 200.A O no hydrogen 2.886 N/A ILE 213.A N ILE 254.A O no hydrogen 2.920 N/A LYS 214.A N CYS 197.A O no hydrogen 2.917 N/A ARG 215.A NE PHE 219.A O no hydrogen 2.918 N/A ARG 215.A NH1 PRO 248.A O no hydrogen 2.782 N/A ARG 215.A NH1 GLN 250.A O no hydrogen 2.794 N/A ARG 215.A NH2 PHE 219.A O no hydrogen 2.583 N/A TYR 221.A OH SER 246.A O no hydrogen 3.360 N/A TYR 221.A OH SER 246.A OG no hydrogen 2.850 N/A ARG 222.A N ASP 225.A OD2 no hydrogen 3.307 N/A TYR 226.A N TYR 285.A O no hydrogen 2.872 N/A LEU 227.A N PHE 242.A O no hydrogen 2.893 N/A ASN 230.A ND2 ARG 236.A O no hydrogen 3.671 N/A ILE 234.A N ILE 231.A O no hydrogen 2.785 N/A ALA 235.A N ILE 231.A O no hydrogen 3.211 N/A HIS 240.A N LEU 229.A O no hydrogen 2.939 N/A PHE 242.A N LEU 227.A O no hydrogen 2.871 N/A ILE 244.A N ASP 225.A O no hydrogen 3.001 N/A SER 245.A N TRP 255.A O no hydrogen 3.406 N/A SER 245.A OG HIS 257.A ND1 no hydrogen 2.430 N/A SER 246.A OG TYR 221.A OH no hydrogen 2.850 N/A GLN 250.A N ALA 247.A O no hydrogen 2.882 N/A GLN 250.A NE2 THR 253.A OG1 no hydrogen 2.985 N/A LYS 251.A NZ PRO 248.A O no hydrogen 3.539 N/A THR 253.A OG1 ASP 252.A OD2 no hydrogen 3.438 N/A ILE 254.A N ILE 213.A O no hydrogen 2.863 N/A LEU 256.A N LEU 211.A O no hydrogen 2.918 N/A HIS 257.A ND1 SER 245.A OG no hydrogen 2.430 N/A ILE 258.A N THR 209.A O no hydrogen 2.884 N/A ARG 259.A NH2 GLN 261.A OE1 no hydrogen 3.178 N/A SER 260.A N LYS 207.A O no hydrogen 2.953 N/A GLN 261.A N THR 265.A OG1 no hydrogen 3.238 N/A THR 265.A OG1 ARG 259.A O no hydrogen 3.297 N/A ASN 266.A ND2 GLY 262.A O no hydrogen 3.642 N/A LEU 268.A N TRP 264.A O no hydrogen 2.831 N/A GLU 270.A N ASN 266.A O no hydrogen 2.930 N/A SER 271.A N ARG 267.A O no hydrogen 2.855 N/A SER 271.A OG ARG 267.A O no hydrogen 3.139 N/A SER 271.A OG LEU 268.A O no hydrogen 2.950 N/A PHE 272.A N LEU 268.A O no hydrogen 3.008 N/A LYS 273.A N TYR 269.A O no hydrogen 2.881 N/A LYS 273.A NZ TYR 269.A OH no hydrogen 3.331 N/A ASN 276.A ND2 ILE 198.A O no hydrogen 3.508 N/A CYS 279.A N VAL 196.A O no hydrogen 3.397 N/A TYR 280.A N ASN 230.A O no hydrogen 2.966 N/A TYR 285.A N TYR 226.A O no hydrogen 2.968 N/A TYR 285.A OH ASP 282.A OD2 no hydrogen 3.062 N/A THR 289.A OG1 PRO 223.A O no hydrogen 3.263 N/A ARG 291.A NH2 PRO 288.A O no hydrogen 3.194 N/A ILE 292.A N THR 289.A O no hydrogen 3.114 N/A ALA 294.A N ARG 290.A O no hydrogen 2.931 N/A SER 295.A OG GLN 417.A OE1 no hydrogen 3.388 N/A HIS 297.A ND1 HIS 297.A O no hydrogen 2.390 N/A HIS 297.A NE2 GLU 411.A OE2 no hydrogen 2.433 N/A VAL 299.A N GLN 417.A O no hydrogen 3.470 N/A LEU 300.A N ASP 349.A O no hydrogen 2.872 N/A ILE 301.A N PHE 419.A O no hydrogen 2.882 N/A GLY 302.A N ILE 351.A O no hydrogen 2.892 N/A ALA 303.A N CYS 421.A O no hydrogen 2.915 N/A GLY 304.A N ILE 353.A O no hydrogen 3.210 N/A ALA 311.A N THR 308.A O no hydrogen 3.070 N/A SER 312.A OG SER 246.A O no hydrogen 3.069 N/A ILE 313.A N PRO 309.A O no hydrogen 2.909 N/A LEU 314.A N PHE 310.A O no hydrogen 2.879 N/A GLN 315.A N ALA 311.A O no hydrogen 2.955 N/A SER 316.A N SER 312.A O no hydrogen 2.927 N/A SER 316.A OG GLU 249.A OE1 no hydrogen 2.964 N/A SER 316.A OG GLU 249.A OE2 no hydrogen 3.078 N/A ILE 317.A N ILE 313.A O no hydrogen 2.874 N/A MET 318.A N LEU 314.A O no hydrogen 2.955 N/A TYR 319.A N GLN 315.A O no hydrogen 2.888 N/A ARG 320.A N SER 316.A O no hydrogen 2.942 N/A ARG 320.A NE GLU 249.A OE2 no hydrogen 3.394 N/A HIS 321.A N ILE 317.A O no hydrogen 2.915 N/A GLN 322.A N MET 318.A O no hydrogen 2.910 N/A GLN 322.A NE2 GLU 377.A OE2 no hydrogen 2.696 N/A LYS 323.A N TYR 319.A O no hydrogen 2.920 N/A ARG 324.A N HIS 321.A O no hydrogen 3.174 N/A ARG 324.A NH1 LEU 345.A O no hydrogen 2.963 N/A CYS 328.A N HIS 333.A O no hydrogen 2.728 N/A CYS 328.A SG SER 330.A OG no hydrogen 3.073 N/A TRP 335.A N HIS 326.A O no hydrogen 2.919 N/A GLU 337.A N ARG 324.A O no hydrogen 3.327 N/A ASN 342.A N GLN 340.A O no hydrogen 2.731 N/A MET 343.A N ASN 342.A OD1 no hydrogen 2.523 N/A LYS 344.A N PHE 293.A O no hydrogen 2.570 N/A LYS 347.A NZ ASP 349.A OD1 no hydrogen 3.428 N/A LYS 347.A NZ GLU 385.A OE2 no hydrogen 2.946 N/A VAL 348.A N PHE 383.A O no hydrogen 2.765 N/A ASP 349.A N ALA 298.A O no hydrogen 2.944 N/A PHE 350.A N GLU 385.A O no hydrogen 2.887 N/A ILE 351.A N LEU 300.A O no hydrogen 2.909 N/A TRP 352.A N HIS 387.A O no hydrogen 2.901 N/A ILE 353.A N GLY 302.A O no hydrogen 2.910 N/A GLN 357.A N ASP 356.A OD2 no hydrogen 2.580 N/A SER 365.A N GLU 361.A O no hydrogen 2.942 N/A SER 365.A OG GLU 361.A O no hydrogen 3.238 N/A LEU 366.A N TRP 362.A O no hydrogen 2.871 N/A LEU 367.A N PHE 363.A O no hydrogen 2.923 N/A THR 368.A N VAL 364.A O no hydrogen 2.891 N/A THR 368.A OG1 VAL 364.A O no hydrogen 2.827 N/A LYS 369.A N SER 365.A O no hydrogen 2.904 N/A LEU 370.A N LEU 366.A O no hydrogen 2.976 N/A GLU 371.A N LEU 367.A O no hydrogen 2.898 N/A MET 372.A N THR 368.A O no hydrogen 2.903 N/A ASP 373.A N LYS 369.A O no hydrogen 2.884 N/A GLN 374.A N LEU 370.A O no hydrogen 2.986 N/A GLN 374.A NE2 GLU 371.A OE1 no hydrogen 2.719 N/A GLU 377.A N GLN 374.A O no hydrogen 3.301 N/A ALA 378.A N ALA 375.A O no hydrogen 2.989 N/A GLN 379.A N GLN 379.A OE1 no hydrogen 2.561 N/A PHE 383.A N GLN 374.A OE1 no hydrogen 3.441 N/A GLU 385.A N VAL 348.A O no hydrogen 2.920 N/A HIS 387.A N PHE 350.A O no hydrogen 2.906 N/A TYR 389.A N TRP 352.A O no hydrogen 2.910 N/A THR 391.A OG1 ASN 354.A O no hydrogen 2.470 N/A THR 391.A OG1 MET 390.A O no hydrogen 2.510 N/A THR 394.A OG1 MET 388.A O no hydrogen 3.410 N/A LYS 403.A NZ LYS 403.A O no hydrogen 2.534 N/A VAL 404.A N ASP 400.A O no hydrogen 2.935 N/A PHE 405.A N TRP 401.A O no hydrogen 2.878 N/A GLN 406.A N SER 402.A O no hydrogen 2.904 N/A LYS 407.A N LYS 403.A O no hydrogen 2.908 N/A VAL 408.A N VAL 404.A O no hydrogen 2.927 N/A ALA 409.A N PHE 405.A O no hydrogen 2.885 N/A ALA 410.A N LYS 407.A O no hydrogen 3.208 N/A LYS 413.A NZ GLU 411.A OE1 no hydrogen 3.420 N/A PHE 419.A N VAL 299.A O no hydrogen 2.904 N/A CYS 421.A N ILE 301.A O no hydrogen 2.912 N/A CYS 421.A SG GLY 306.A O no hydrogen 3.167 N/A CYS 421.A SG PHE 446.A O no hydrogen 2.971 N/A CYS 421.A SG PHE 446.A OXT no hydrogen 3.518 N/A ALA 425.A N ASN 7.A OD1 no hydrogen 3.086 N/A ALA 427.A N SER 423.A O no hydrogen 2.957 N/A LYS 428.A N PRO 424.A O no hydrogen 2.915 N/A VAL 429.A N ALA 425.A O no hydrogen 3.003 N/A LEU 430.A N LEU 426.A O no hydrogen 2.854 N/A LYS 431.A N ALA 427.A O no hydrogen 2.902 N/A GLY 432.A N LYS 428.A O no hydrogen 2.939 N/A HIS 433.A N VAL 429.A O no hydrogen 2.938 N/A HIS 433.A ND1 VAL 429.A O no hydrogen 2.912 N/A CYS 434.A N LYS 431.A O no hydrogen 3.323 N/A CYS 434.A SG PHE 439.A O no hydrogen 3.015 N/A GLU 435.A N LYS 431.A O no hydrogen 2.920 N/A PHE 437.A N CYS 434.A O no hydrogen 3.237 N/A PHE 439.A N CYS 434.A O no hydrogen 3.376 N/A ARG 440.A N VAL 416.A O no hydrogen 3.352 N/A PHE 442.A N VAL 418.A O no hydrogen 2.782 N/A GLN 443.A NE2 GLY 422.A O no hydrogen 3.585 N/A GLU 444.A N PHE 420.A O no hydrogen 2.974 N/A GLU 444.A N GLU 444.A OE1 no hydrogen 3.211 N/A