Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dok_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 108.A OD2 no hydrogen 3.153 N/A LYS 5.A N GLN 76.A OE1 no hydrogen 2.790 N/A LYS 7.A N ARG 74.A O no hydrogen 2.861 N/A LYS 7.A NZ LYS 73.A O no hydrogen 2.727 N/A MET 10.A N LYS 7.A O no hydrogen 2.869 N/A VAL 15.A N ASN 51.A O no hydrogen 3.061 N/A GLN 17.A NE2 TRP 18.A O no hydrogen 2.956 N/A GLN 17.A NE2 VAL 54.A O no hydrogen 2.803 N/A THR 21.A OG1 GLU 23.A OE2 no hydrogen 3.385 N/A LYS 24.A NZ THR 21.A OG1 no hydrogen 3.109 N/A LYS 24.A NZ GLU 23.A OE2 no hydrogen 3.275 N/A LYS 24.A NZ GLU 375.A OE1 no hydrogen 3.210 N/A LYS 24.A NZ GLU 375.A OE2 no hydrogen 2.688 N/A ILE 25.A N THR 21.A O no hydrogen 2.834 N/A LYS 26.A N GLU 22.A O no hydrogen 3.102 N/A LEU 28.A N LYS 24.A O no hydrogen 3.118 N/A VAL 29.A N ILE 25.A O no hydrogen 2.874 N/A GLU 30.A N LYS 26.A O no hydrogen 2.998 N/A ILE 31.A N ALA 27.A O no hydrogen 2.839 N/A CYS 32.A N LEU 28.A O no hydrogen 2.654 N/A THR 33.A N VAL 29.A O no hydrogen 2.767 N/A THR 33.A OG1 VAL 29.A O no hydrogen 3.248 N/A THR 33.A OG1 GLU 30.A O no hydrogen 2.806 N/A GLU 34.A N GLU 30.A O no hydrogen 3.072 N/A MET 35.A N ILE 31.A O no hydrogen 3.055 N/A GLU 36.A N CYS 32.A O no hydrogen 2.834 N/A LYS 37.A N THR 33.A O no hydrogen 3.155 N/A LYS 37.A NZ THR 33.A O no hydrogen 3.021 N/A LYS 37.A NZ GLU 36.A OE2 no hydrogen 3.258 N/A GLU 38.A N GLU 34.A O no hydrogen 3.046 N/A GLY 39.A N GLU 36.A O no hydrogen 2.859 N/A LYS 40.A N MET 35.A O no hydrogen 3.029 N/A SER 42.A N GLN 132.A O no hydrogen 3.358 N/A SER 42.A OG ASN 134.A OD1 no hydrogen 2.640 N/A LYS 43.A NZ GLU 36.A OE1 no hydrogen 3.407 N/A LYS 43.A NZ GLU 36.A OE2 no hydrogen 3.435 N/A ILE 44.A N ARG 130.A O no hydrogen 2.964 N/A ASN 48.A N GLY 45.A O no hydrogen 3.435 N/A ASN 48.A ND2 LYS 113.A O no hydrogen 2.772 N/A ASN 48.A ND2 GLN 132.A OE1 no hydrogen 3.281 N/A TYR 50.A N ASN 48.A OD1 no hydrogen 2.792 N/A TYR 50.A OH ASP 11.A OD1 no hydrogen 2.800 N/A ASN 51.A N PRO 13.A O no hydrogen 2.737 N/A THR 52.A N ALA 116.A O no hydrogen 3.085 N/A VAL 54.A N GLN 17.A OE1 no hydrogen 2.818 N/A PHE 55.A N LEU 65.A O no hydrogen 2.871 N/A ILE 57.A N ARG 63.A O no hydrogen 3.050 N/A LYS 58.A NZ THR 60.A O no hydrogen 2.516 N/A ARG 63.A N ILE 57.A O no hydrogen 2.847 N/A ARG 63.A NE ASP 97.A OD1 no hydrogen 3.454 N/A ARG 63.A NH2 ASP 97.A OD1 no hydrogen 3.335 N/A LYS 64.A NZ TYR 133.A OH no hydrogen 3.008 N/A LEU 65.A N PHE 55.A O no hydrogen 2.767 N/A ASP 67.A N PRO 53.A O no hydrogen 3.045 N/A ARG 69.A N ASP 67.A OD2 no hydrogen 2.811 N/A ARG 69.A NE ASP 67.A OD1 no hydrogen 2.988 N/A ARG 69.A NE ASP 67.A OD2 no hydrogen 2.988 N/A ARG 69.A NH1 PRO 383.A O no hydrogen 2.624 N/A ARG 69.A NH2 ASP 67.A OD1 no hydrogen 2.775 N/A ASN 72.A N PHE 68.A O no hydrogen 2.499 N/A ASN 72.A ND2 GLY 139.A O no hydrogen 3.268 N/A LYS 73.A N ARG 69.A O no hydrogen 3.124 N/A LYS 73.A NZ GLU 70.A OE1 no hydrogen 2.970 N/A LYS 73.A NZ GLU 70.A OE2 no hydrogen 2.932 N/A ARG 74.A N GLU 70.A O no hydrogen 2.853 N/A ARG 74.A NH2 GLU 70.A OE2 no hydrogen 3.099 N/A THR 75.A N ASN 72.A O no hydrogen 3.085 N/A THR 75.A OG1 LEU 71.A O no hydrogen 2.701 N/A GLN 76.A N LYS 5.A O no hydrogen 3.075 N/A GLN 76.A NE2 ASP 77.A O no hydrogen 3.219 N/A LEU 87.A N PRO 84.A O no hydrogen 2.797 N/A LYS 88.A NZ ALA 85.A O no hydrogen 2.998 N/A LYS 89.A N GLY 86.A O no hydrogen 2.583 N/A ASN 90.A N LEU 87.A O no hydrogen 3.175 N/A LYS 91.A N SER 178.A O no hydrogen 3.269 N/A SER 92.A OG LYS 91.A O no hydrogen 2.514 N/A VAL 93.A N LEU 205.A O no hydrogen 2.772 N/A THR 94.A N VAL 176.A O no hydrogen 2.808 N/A THR 94.A OG1 HIS 185.A NE2 no hydrogen 2.942 N/A LEU 96.A N LEU 174.A O no hydrogen 2.798 N/A VAL 98.A N ASP 172.A O no hydrogen 2.650 N/A GLY 99.A N ASP 97.A OD2 no hydrogen 3.097 N/A ALA 101.A N VAL 98.A O no hydrogen 3.352 N/A TYR 102.A N GLY 99.A O no hydrogen 3.163 N/A SER 104.A OG ALA 101.A O no hydrogen 3.042 N/A LEU 107.A N ASN 134.A O no hydrogen 3.066 N/A ASP 110.A N ASP 108.A OD1 no hydrogen 3.232 N/A PHE 111.A N ASP 108.A O no hydrogen 2.875 N/A ARG 112.A NH2 ASN 134.A O no hydrogen 2.753 N/A TYR 114.A N PHE 111.A O no hydrogen 2.984 N/A THR 115.A N ARG 112.A O no hydrogen 2.516 N/A THR 115.A OG1 ARG 112.A O no hydrogen 2.740 N/A ALA 116.A N LYS 113.A O no hydrogen 3.048 N/A PHE 117.A N TYR 131.A O no hydrogen 2.923 N/A ILE 119.A N ILE 129.A O no hydrogen 3.048 N/A SER 121.A OG THR 126.A O no hydrogen 2.667 N/A ASN 124.A N SER 121.A O no hydrogen 3.051 N/A GLU 125.A N ILE 122.A O no hydrogen 3.321 N/A THR 126.A OG1 PRO 127.A O no hydrogen 2.398 N/A ILE 129.A N ILE 119.A O no hydrogen 2.915 N/A ARG 130.A NH1 TYR 50.A O no hydrogen 3.001 N/A ARG 130.A NH1 THR 118.A OG1 no hydrogen 3.281 N/A ARG 130.A NH2 TYR 50.A O no hydrogen 3.107 N/A TYR 131.A N PHE 117.A O no hydrogen 3.198 N/A TYR 131.A OH GLU 36.A OE2 no hydrogen 3.271 N/A GLN 132.A N SER 42.A O no hydrogen 3.148 N/A TYR 133.A N THR 115.A OG1 no hydrogen 2.688 N/A ASN 134.A N LYS 40.A O no hydrogen 2.771 N/A LEU 136.A N VAL 105.A O no hydrogen 2.985 N/A GLY 139.A N ASP 172.A OD2 no hydrogen 3.163 N/A TRP 140.A NE1 THR 75.A OG1 no hydrogen 2.843 N/A LYS 141.A N ASN 72.A OD1 no hydrogen 2.834 N/A LYS 141.A NZ ASN 72.A O no hydrogen 3.441 N/A LYS 141.A NZ THR 75.A O no hydrogen 2.456 N/A LYS 141.A NZ ASP 77.A OD2 no hydrogen 3.224 N/A SER 143.A N TRP 140.A O no hydrogen 3.109 N/A SER 143.A OG PRO 137.A O no hydrogen 2.879 N/A ILE 146.A N GLY 142.A O no hydrogen 3.297 N/A PHE 147.A N SER 143.A O no hydrogen 2.975 N/A PHE 147.A N PRO 144.A O no hydrogen 3.280 N/A GLN 148.A N ALA 145.A O no hydrogen 2.813 N/A GLN 148.A NE2 PRO 144.A O no hydrogen 3.020 N/A MET 151.A N PHE 147.A O no hydrogen 2.913 N/A THR 152.A N GLN 148.A O no hydrogen 3.023 N/A THR 152.A OG1 SER 149.A O no hydrogen 2.766 N/A LYS 153.A N SER 149.A O no hydrogen 3.171 N/A ILE 154.A N SER 150.A O no hydrogen 3.363 N/A LEU 155.A N THR 152.A O no hydrogen 2.589 N/A GLU 156.A N THR 152.A O no hydrogen 2.872 N/A PHE 158.A N LEU 155.A O no hydrogen 2.849 N/A ARG 159.A N GLU 156.A O no hydrogen 2.595 N/A LYS 160.A N GLU 156.A O no hydrogen 2.980 N/A GLN 161.A N PRO 157.A O no hydrogen 3.313 N/A GLN 161.A NE2 PRO 157.A O no hydrogen 2.766 N/A ASN 162.A N PHE 158.A O no hydrogen 2.968 N/A VAL 166.A N GLY 177.A O no hydrogen 2.615 N/A TYR 168.A N TYR 175.A O no hydrogen 2.832 N/A TYR 168.A OH GLY 355.A O no hydrogen 3.119 N/A TYR 170.A N ASP 173.A O no hydrogen 3.167 N/A ASP 173.A N TYR 170.A O no hydrogen 2.681 N/A LEU 174.A N LEU 96.A O no hydrogen 2.811 N/A TYR 175.A N TYR 168.A O no hydrogen 2.865 N/A VAL 176.A N THR 94.A O no hydrogen 2.806 N/A GLY 177.A N VAL 166.A O no hydrogen 2.481 N/A SER 178.A N SER 92.A O no hydrogen 3.254 N/A SER 178.A OG HIS 185.A ND1 no hydrogen 2.959 N/A LEU 180.A N SER 178.A OG no hydrogen 3.382 N/A GLY 183.A N GLU 181.A OE1 no hydrogen 2.926 N/A HIS 185.A N GLU 181.A O no hydrogen 2.665 N/A HIS 185.A ND1 SER 178.A OG no hydrogen 2.959 N/A HIS 185.A NE2 THR 94.A OG1 no hydrogen 2.942 N/A ARG 186.A N ILE 182.A O no hydrogen 2.801 N/A THR 187.A N GLY 183.A O no hydrogen 2.962 N/A THR 187.A OG1 GLY 183.A O no hydrogen 2.697 N/A THR 187.A OG1 GLN 184.A O no hydrogen 3.054 N/A LYS 188.A N GLN 184.A O no hydrogen 3.309 N/A ILE 189.A N HIS 185.A O no hydrogen 2.882 N/A ILE 189.A N ARG 186.A O no hydrogen 3.167 N/A GLU 190.A N ARG 186.A O no hydrogen 3.054 N/A GLU 191.A N THR 187.A O no hydrogen 2.954 N/A LEU 192.A N ILE 189.A O no hydrogen 2.645 N/A ARG 193.A N ILE 189.A O no hydrogen 2.648 N/A GLN 194.A N GLU 190.A O no hydrogen 2.860 N/A GLN 194.A NE2 GLU 190.A OE1 no hydrogen 2.547 N/A HIS 195.A N GLU 191.A O no hydrogen 3.390 N/A LEU 196.A N LEU 192.A O no hydrogen 2.828 N/A LEU 197.A N ARG 193.A O no hydrogen 2.574 N/A ARG 198.A N GLN 194.A O no hydrogen 3.256 N/A THR 203.A OG1 THR 203.A O no hydrogen 2.479 N/A LEU 205.A N VAL 93.A O no hydrogen 2.839 N/A ASP 208.A N ASN 90.A O no hydrogen 3.289 N/A LYS 209.A N HIS 206.A O no hydrogen 2.883 N/A TRP 210.A N PRO 207.A O no hydrogen 3.377 N/A THR 211.A OG1 GLN 213.A OE1 no hydrogen 3.250 N/A VAL 216.A N LEU 400.A O no hydrogen 2.890 N/A THR 224.A N ASP 227.A OD1 no hydrogen 3.215 N/A VAL 225.A N GLU 262.A O no hydrogen 3.131 N/A ASN 226.A N LEU 260.A O no hydrogen 3.150 N/A ASP 227.A N THR 224.A OG1 no hydrogen 3.198 N/A ILE 228.A N THR 224.A O no hydrogen 3.013 N/A GLN 229.A N VAL 225.A O no hydrogen 2.957 N/A LYS 230.A N ASN 226.A O no hydrogen 2.877 N/A LEU 231.A N ASP 227.A O no hydrogen 2.894 N/A VAL 232.A N ILE 228.A O no hydrogen 2.734 N/A GLY 233.A N GLN 229.A O no hydrogen 2.887 N/A GLY 233.A N LYS 230.A O no hydrogen 2.945 N/A LYS 234.A N LYS 230.A O no hydrogen 3.012 N/A LEU 235.A N LEU 231.A O no hydrogen 2.970 N/A ASN 236.A N VAL 232.A O no hydrogen 3.074 N/A TRP 237.A N GLY 233.A O no hydrogen 3.004 N/A ALA 238.A N LYS 234.A O no hydrogen 2.861 N/A SER 239.A N ASN 236.A O no hydrogen 2.704 N/A SER 239.A OG ASN 236.A O no hydrogen 2.389 N/A GLN 240.A N TRP 237.A O no hydrogen 2.757 N/A ILE 241.A N ALA 238.A O no hydrogen 2.885 N/A TYR 242.A N ALA 238.A O no hydrogen 3.296 N/A TYR 242.A OH GLU 283.A O no hydrogen 2.819 N/A ILE 245.A N TYR 242.A O no hydrogen 3.481 N/A LYS 246.A N ASN 277.A OD1 no hydrogen 3.246 N/A ARG 248.A NH2 GLU 273.A OE1 no hydrogen 2.934 N/A GLN 249.A N GLU 273.A OE1 no hydrogen 2.746 N/A LEU 250.A N GLU 273.A OE2 no hydrogen 3.160 N/A CYS 251.A N VAL 247.A O no hydrogen 2.813 N/A LYS 252.A N GLN 249.A O no hydrogen 3.287 N/A ARG 255.A N LYS 252.A O no hydrogen 2.781 N/A THR 257.A OG1 THR 257.A O no hydrogen 2.433 N/A GLU 262.A N ALA 259.A O no hydrogen 2.778 N/A ILE 264.A N TRP 223.A O no hydrogen 2.859 N/A ALA 270.A N THR 267.A OG1 no hydrogen 3.009 N/A GLU 271.A N THR 267.A O no hydrogen 2.857 N/A LEU 272.A N GLU 268.A O no hydrogen 2.974 N/A GLU 273.A N GLU 269.A O no hydrogen 3.032 N/A LEU 274.A N ALA 270.A O no hydrogen 3.088 N/A ALA 275.A N GLU 271.A O no hydrogen 2.867 N/A GLU 276.A N LEU 272.A O no hydrogen 2.447 N/A ASN 277.A N GLU 273.A O no hydrogen 2.811 N/A ASN 277.A ND2 LYS 246.A O no hydrogen 2.877 N/A ARG 278.A N LEU 274.A O no hydrogen 2.725 N/A ARG 278.A NH1 LEU 217.A O no hydrogen 3.201 N/A ARG 278.A NH1 PRO 218.A O no hydrogen 3.326 N/A ARG 278.A NH2 PRO 218.A O no hydrogen 3.498 N/A GLU 279.A N ALA 275.A O no hydrogen 2.995 N/A ILE 280.A N GLU 276.A O no hydrogen 2.987 N/A LEU 281.A N ASN 277.A O no hydrogen 3.171 N/A LYS 282.A N GLU 279.A O no hydrogen 3.213 N/A ASP 291.A N GLN 314.A OE1 no hydrogen 3.019 N/A SER 293.A N ASP 291.A OD1 no hydrogen 2.451 N/A SER 293.A OG ASP 291.A OD1 no hydrogen 2.730 N/A SER 293.A OG ASP 291.A OD2 no hydrogen 3.096 N/A LYS 294.A N ASP 291.A O no hydrogen 3.122 N/A ILE 297.A N TYR 313.A O no hydrogen 2.780 N/A ALA 298.A N LYS 359.A O no hydrogen 2.702 N/A GLU 299.A N GLN 311.A O no hydrogen 2.954 N/A GLN 301.A N THR 309.A O no hydrogen 2.896 N/A GLN 301.A NE2 GLU 299.A OE2 no hydrogen 3.451 N/A GLN 301.A NE2 GLN 311.A OE1 no hydrogen 2.987 N/A LYS 302.A NZ ASP 335.A OD1 no hydrogen 2.345 N/A LYS 302.A NZ ASP 335.A OD2 no hydrogen 3.248 N/A GLN 303.A N GLN 307.A O no hydrogen 3.073 N/A GLN 307.A N GLY 304.A O no hydrogen 2.961 N/A TRP 308.A N TYR 325.A O no hydrogen 2.682 N/A TRP 308.A NE1 GLN 338.A OE1 no hydrogen 2.800 N/A THR 309.A N GLN 301.A O no hydrogen 3.047 N/A THR 309.A OG1 GLN 301.A O no hydrogen 3.461 N/A THR 309.A OG1 GLN 301.A OE1 no hydrogen 2.668 N/A THR 309.A OG1 GLN 303.A OE1 no hydrogen 2.822 N/A TYR 310.A N GLY 323.A O no hydrogen 2.799 N/A TYR 310.A OH GLU 349.A OE1 no hydrogen 2.814 N/A GLN 311.A N GLU 299.A O no hydrogen 2.936 N/A GLN 311.A NE2 GLN 301.A OE1 no hydrogen 3.216 N/A ILE 312.A N LYS 321.A O no hydrogen 2.953 N/A TYR 313.A N ILE 297.A O no hydrogen 2.781 N/A TYR 313.A OH GLU 299.A OE1 no hydrogen 3.385 N/A GLN 314.A NE2 ASP 291.A O no hydrogen 2.885 N/A GLN 314.A NE2 ASP 295.A O no hydrogen 3.035 N/A LYS 318.A N GLU 315.A O no hydrogen 2.863 N/A ASN 319.A ND2 TYR 398.A OH no hydrogen 3.213 N/A LEU 320.A N ILE 312.A O no hydrogen 2.905 N/A LYS 321.A N ILE 312.A O no hydrogen 3.380 N/A GLY 323.A N TYR 310.A O no hydrogen 2.968 N/A LYS 324.A NZ GLU 401.A O no hydrogen 3.302 N/A TYR 325.A N TRP 308.A O no hydrogen 2.685 N/A ARG 327.A N GLY 306.A O no hydrogen 2.604 N/A ARG 327.A NH1 MET 328.A O no hydrogen 2.436 N/A ALA 331.A N MET 328.A O no hydrogen 3.245 N/A ASN 334.A N ALA 331.A O no hydrogen 2.601 N/A LYS 337.A N ASN 334.A OD1 no hydrogen 2.883 N/A GLN 338.A N ASN 334.A O no hydrogen 3.278 N/A GLN 338.A NE2 ALA 331.A O no hydrogen 3.133 N/A LEU 339.A N ASP 335.A O no hydrogen 3.023 N/A THR 340.A N VAL 336.A O no hydrogen 3.021 N/A THR 340.A OG1 VAL 336.A O no hydrogen 3.441 N/A THR 340.A OG1 LYS 337.A O no hydrogen 2.945 N/A GLU 341.A N LYS 337.A O no hydrogen 2.850 N/A ALA 342.A N GLN 338.A O no hydrogen 2.578 N/A VAL 343.A N LEU 339.A O no hydrogen 2.647 N/A GLN 344.A N THR 340.A O no hydrogen 2.897 N/A GLN 344.A NE2 TYR 376.A O no hydrogen 2.969 N/A LYS 345.A N GLU 341.A O no hydrogen 2.993 N/A ILE 346.A N ALA 342.A O no hydrogen 2.800 N/A THR 347.A N VAL 343.A O no hydrogen 2.830 N/A THR 347.A OG1 VAL 343.A O no hydrogen 2.709 N/A THR 348.A N GLN 344.A O no hydrogen 2.927 N/A THR 348.A OG1 LYS 345.A O no hydrogen 2.546 N/A GLU 349.A N LYS 345.A O no hydrogen 3.028 N/A SER 350.A N ILE 346.A O no hydrogen 3.014 N/A SER 350.A OG LYS 356.A O no hydrogen 2.453 N/A ILE 351.A N THR 347.A O no hydrogen 3.043 N/A VAL 352.A N THR 348.A O no hydrogen 2.815 N/A ILE 353.A N GLU 349.A O no hydrogen 2.843 N/A TRP 354.A N SER 350.A O no hydrogen 2.849 N/A GLY 355.A N ILE 351.A O no hydrogen 2.583 N/A LYS 356.A NZ LYS 294.A O no hydrogen 2.803 N/A THR 357.A OG1 TYR 170.A OH no hydrogen 2.913 N/A LYS 359.A N LEU 296.A O no hydrogen 2.787 N/A LYS 359.A NZ GLU 386.A OE1 no hydrogen 3.139 N/A PHE 360.A N GLU 384.A O no hydrogen 2.750 N/A LYS 361.A N ALA 298.A O no hydrogen 2.992 N/A LYS 361.A NZ GLU 386.A OE2 no hydrogen 3.430 N/A LEU 362.A N GLU 386.A O no hydrogen 2.798 N/A LYS 366.A NZ GLU 370.A OE1 no hydrogen 2.709 N/A TRP 369.A N GLN 365.A O no hydrogen 3.041 N/A GLU 370.A N LYS 366.A O no hydrogen 2.843 N/A THR 371.A N GLU 367.A O no hydrogen 2.964 N/A THR 371.A OG1 GLU 367.A O no hydrogen 3.042 N/A TRP 372.A N TRP 369.A O no hydrogen 3.402 N/A TRP 373.A N TRP 369.A O no hydrogen 2.933 N/A THR 374.A OG1 GLU 375.A OE2 no hydrogen 3.354 N/A TYR 376.A N TRP 373.A O no hydrogen 3.435 N/A TRP 377.A N THR 374.A O no hydrogen 2.836 N/A TRP 377.A NE1 TRP 381.A O no hydrogen 2.953 N/A GLN 378.A N GLN 344.A OE1 no hydrogen 2.997 N/A THR 380.A OG1 ASP 173.A OD1 no hydrogen 2.974 N/A TRP 381.A NE1 ASP 173.A OD2 no hydrogen 3.095 N/A GLU 386.A N PHE 360.A O no hydrogen 2.795 N/A VAL 388.A N LEU 362.A O no hydrogen 2.883 N/A VAL 394.A N PRO 391.A O no hydrogen 3.258 N/A LEU 396.A N PRO 392.A O no hydrogen 3.295 N/A TRP 397.A N LEU 393.A O no hydrogen 2.844 N/A TYR 398.A N VAL 394.A O no hydrogen 3.210 N/A GLN 399.A N LYS 395.A O no hydrogen 3.026 N/A LEU 400.A N TRP 397.A O no hydrogen 3.151 N/A GLU 401.A N TYR 398.A O no hydrogen 3.027 N/A LYS 402.A N PRO 214.A O no hydrogen 2.894 N/A