Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLN 123.A OE1 no hydrogen 3.201 N/A GLU 2.A N GLY 121.A O no hydrogen 3.298 N/A ILE 4.A N GLY 124.A O no hydrogen 3.217 N/A SER 5.A N ARG 54.A O no hydrogen 2.989 N/A ILE 6.A N LEU 126.A O no hydrogen 2.948 N/A HIS 7.A N VAL 56.A O no hydrogen 2.747 N/A VAL 8.A N PHE 128.A O no hydrogen 3.114 N/A GLY 9.A N VAL 58.A O no hydrogen 2.678 N/A GLN 14.A N GLN 10.A O no hydrogen 2.631 N/A ILE 15.A N ALA 11.A O no hydrogen 2.864 N/A GLY 16.A N GLY 12.A O no hydrogen 2.765 N/A ASN 17.A N VAL 13.A O no hydrogen 2.610 N/A ALA 18.A N ILE 15.A O no hydrogen 2.959 N/A CYS 19.A N GLY 16.A O no hydrogen 2.668 N/A CYS 19.A SG ILE 15.A O no hydrogen 3.560 N/A CYS 19.A SG GLY 16.A O no hydrogen 3.884 N/A TRP 20.A N GLY 16.A O no hydrogen 2.875 N/A TYR 23.A N CYS 19.A O no hydrogen 2.713 N/A TYR 23.A OH THR 229.A OG1 no hydrogen 3.154 N/A CYS 24.A N TRP 20.A O no hydrogen 2.768 N/A CYS 24.A SG TRP 20.A O no hydrogen 3.456 N/A LEU 25.A N GLU 21.A O no hydrogen 3.048 N/A GLU 26.A N LEU 22.A O no hydrogen 2.894 N/A HIS 27.A N TYR 23.A O no hydrogen 3.003 N/A ILE 29.A N CYS 24.A O no hydrogen 3.085 N/A GLN 30.A N GLN 34.A O no hydrogen 2.777 N/A GLY 33.A N GLN 30.A O no hydrogen 2.703 N/A ASN 40.A ND2 PHE 43.A O no hydrogen 2.948 N/A THR 41.A OG1 LEU 232.A O no hydrogen 2.698 N/A PHE 42.A N PHE 39.A O no hydrogen 3.380 N/A PHE 43.A N PHE 39.A O no hydrogen 3.366 N/A SER 44.A N VAL 52.A O no hydrogen 2.889 N/A SER 44.A OG VAL 52.A O no hydrogen 3.429 N/A THR 46.A N SER 44.A O no hydrogen 2.936 N/A LYS 50.A NZ GLN 75.A O no hydrogen 2.809 N/A ARG 54.A N PHE 42.A O no hydrogen 2.880 N/A ALA 55.A N PRO 53.A O no hydrogen 2.888 N/A VAL 56.A N SER 5.A O no hydrogen 2.888 N/A PHE 57.A N GLN 81.A O no hydrogen 3.003 N/A VAL 58.A N HIS 7.A O no hydrogen 2.759 N/A ASP 59.A N ILE 83.A O no hydrogen 2.899 N/A LEU 60.A N ASP 59.A OD2 no hydrogen 2.645 N/A GLU 67.A N THR 63.A O no hydrogen 3.105 N/A GLU 67.A N VAL 64.A O no hydrogen 3.067 N/A VAL 68.A N VAL 64.A O no hydrogen 3.394 N/A ARG 69.A N ILE 65.A O no hydrogen 3.400 N/A THR 70.A N GLU 67.A O no hydrogen 3.067 N/A GLY 71.A N GLU 67.A O no hydrogen 3.298 N/A TYR 73.A OH GLU 21.A OE2 no hydrogen 2.939 N/A LEU 76.A N TYR 73.A O no hydrogen 2.921 N/A GLN 81.A N HIS 78.A O no hydrogen 3.023 N/A LEU 82.A N PRO 79.A O no hydrogen 3.378 N/A ILE 83.A N PHE 57.A O no hydrogen 2.598 N/A GLU 87.A N GLY 85.A O no hydrogen 2.838 N/A ALA 89.A N ASP 88.A OD1 no hydrogen 3.021 N/A ASN 92.A N ALA 89.A O no hydrogen 3.298 N/A TYR 93.A N ASN 176.A OD1 no hydrogen 2.725 N/A TYR 93.A OH THR 183.A OG1 no hydrogen 2.854 N/A ARG 95.A NH2 GLU 87.A OE2 no hydrogen 3.042 N/A GLY 96.A N ASN 92.A O no hydrogen 3.118 N/A HIS 97.A N TYR 93.A O no hydrogen 2.648 N/A TYR 98.A N ALA 94.A O no hydrogen 2.819 N/A TYR 98.A OH GLU 407.A OE1 no hydrogen 2.665 N/A TYR 98.A OH GLU 407.A OE2 no hydrogen 3.290 N/A THR 99.A OG1 GLU 401.A OE2 no hydrogen 2.901 N/A ILE 100.A N ARG 95.A O no hydrogen 3.007 N/A GLY 101.A N ARG 95.A O no hydrogen 3.506 N/A LYS 102.A N TYR 98.A O no hydrogen 3.411 N/A GLU 103.A N ILE 100.A O no hydrogen 3.273 N/A ILE 104.A N GLY 101.A O no hydrogen 3.125 N/A VAL 108.A N ILE 104.A O no hydrogen 2.999 N/A LEU 109.A N ILE 105.A O no hydrogen 3.321 N/A ARG 111.A N LEU 107.A O no hydrogen 2.915 N/A ARG 111.A N VAL 108.A O no hydrogen 2.977 N/A ILE 112.A N VAL 108.A O no hydrogen 2.808 N/A ARG 113.A N LEU 109.A O no hydrogen 3.082 N/A LYS 114.A N ARG 111.A O no hydrogen 2.796 N/A LEU 115.A N ILE 112.A O no hydrogen 3.052 N/A ALA 116.A N ILE 112.A O no hydrogen 3.006 N/A ASP 117.A N ARG 113.A O no hydrogen 3.080 N/A GLN 118.A N LEU 115.A O no hydrogen 3.119 N/A GLN 118.A NE2 LYS 114.A O no hydrogen 3.547 N/A CYS 119.A N ALA 116.A O no hydrogen 3.170 N/A CYS 119.A SG LEU 115.A O no hydrogen 3.060 N/A THR 120.A OG1 GLU 2.A OE2 no hydrogen 3.256 N/A PHE 125.A N SER 155.A O no hydrogen 2.868 N/A LEU 126.A N ILE 4.A O no hydrogen 2.858 N/A VAL 127.A N LEU 157.A O no hydrogen 2.818 N/A PHE 128.A N ILE 6.A O no hydrogen 2.913 N/A HIS 129.A N PHE 159.A O no hydrogen 3.083 N/A SER 130.A OG GLY 132.A O no hydrogen 3.290 N/A PHE 131.A N ILE 161.A O no hydrogen 3.080 N/A SER 137.A N GLY 133.A O no hydrogen 3.395 N/A SER 137.A OG GLY 133.A O no hydrogen 2.590 N/A SER 137.A OG GLY 134.A O no hydrogen 3.131 N/A GLY 138.A N GLY 134.A O no hydrogen 2.846 N/A PHE 139.A N THR 135.A O no hydrogen 2.960 N/A THR 140.A OG1 GLY 136.A O no hydrogen 2.577 N/A SER 141.A N SER 137.A O no hydrogen 3.346 N/A LEU 142.A N GLY 138.A O no hydrogen 3.360 N/A LEU 143.A N PHE 139.A O no hydrogen 2.964 N/A MET 144.A N THR 140.A O no hydrogen 2.718 N/A GLU 145.A N SER 141.A O no hydrogen 3.119 N/A ARG 146.A N LEU 142.A O no hydrogen 3.173 N/A LEU 147.A N LEU 143.A O no hydrogen 2.697 N/A SER 148.A N MET 144.A O no hydrogen 3.138 N/A SER 148.A OG MET 144.A O no hydrogen 3.400 N/A VAL 149.A N ARG 146.A O no hydrogen 3.291 N/A ASP 150.A N ARG 146.A O no hydrogen 2.919 N/A TYR 151.A N LEU 147.A O no hydrogen 2.757 N/A LYS 154.A NZ LEU 122.A O no hydrogen 3.090 N/A LYS 156.A N ASP 189.A OD1 no hydrogen 2.748 N/A LYS 156.A NZ SER 148.A OG no hydrogen 2.923 N/A LYS 156.A NZ HIS 187.A O no hydrogen 3.090 N/A LEU 157.A N PHE 125.A O no hydrogen 2.953 N/A GLU 158.A N CYS 190.A O no hydrogen 3.065 N/A PHE 159.A N VAL 127.A O no hydrogen 2.781 N/A SER 160.A N PHE 192.A O no hydrogen 3.105 N/A ILE 161.A N HIS 129.A O no hydrogen 3.079 N/A TYR 162.A N VAL 194.A O no hydrogen 2.720 N/A TYR 162.A OH ALA 377.A O no hydrogen 3.012 N/A SER 168.A OG GLU 173.A OE2 no hydrogen 2.385 N/A ASN 176.A N VAL 172.A O no hydrogen 3.379 N/A ASN 176.A ND2 ASN 91.A O no hydrogen 2.877 N/A SER 177.A N GLU 173.A O no hydrogen 2.978 N/A SER 177.A OG GLU 173.A O no hydrogen 3.114 N/A ILE 178.A N PRO 174.A O no hydrogen 2.970 N/A LEU 179.A N TYR 175.A O no hydrogen 2.766 N/A THR 180.A N ASN 176.A O no hydrogen 3.042 N/A THR 180.A OG1 SER 137.A O no hydrogen 3.266 N/A THR 181.A N SER 177.A O no hydrogen 2.982 N/A HIS 182.A N ILE 178.A O no hydrogen 3.331 N/A HIS 182.A ND1 ASP 414.A OD2 no hydrogen 2.704 N/A HIS 182.A NE2 GLU 410.A OE2 no hydrogen 2.783 N/A THR 183.A N LEU 179.A O no hydrogen 3.459 N/A THR 183.A OG1 TYR 93.A OH no hydrogen 2.854 N/A THR 183.A OG1 LEU 179.A O no hydrogen 2.790 N/A THR 183.A OG1 THR 180.A O no hydrogen 3.568 N/A THR 184.A N THR 180.A O no hydrogen 2.691 N/A HIS 187.A N THR 184.A O no hydrogen 2.901 N/A HIS 187.A ND1 THR 183.A O no hydrogen 3.166 N/A SER 188.A N THR 184.A O no hydrogen 3.128 N/A SER 188.A OG GLU 158.A OE2 no hydrogen 3.102 N/A ASP 189.A N LYS 156.A O no hydrogen 2.813 N/A CYS 190.A SG HIS 256.A O no hydrogen 3.808 N/A ALA 191.A N HIS 256.A O no hydrogen 3.153 N/A PHE 192.A N GLU 158.A O no hydrogen 2.626 N/A VAL 194.A N SER 160.A O no hydrogen 2.700 N/A ASP 195.A N MET 292.A O no hydrogen 2.774 N/A ASN 196.A N TYR 162.A O no hydrogen 3.064 N/A GLU 197.A N ASP 195.A OD1 no hydrogen 2.784 N/A ILE 199.A N ASP 195.A O no hydrogen 3.028 N/A TYR 200.A N ASN 196.A O no hydrogen 2.908 N/A ASP 201.A N GLU 197.A O no hydrogen 2.661 N/A ILE 202.A N ALA 198.A O no hydrogen 2.731 N/A CYS 203.A SG ILE 199.A O no hydrogen 3.249 N/A CYS 203.A SG ASN 216.A O no hydrogen 4.030 N/A ARG 204.A N ASP 201.A O no hydrogen 3.207 N/A ARG 205.A N ASP 201.A O no hydrogen 3.067 N/A ASN 206.A N ILE 202.A O no hydrogen 2.850 N/A ASN 206.A ND2 ILE 202.A O no hydrogen 3.482 N/A ILE 209.A N CYS 203.A O no hydrogen 3.153 N/A THR 213.A N ASN 216.A OD1 no hydrogen 3.214 N/A THR 213.A OG1 ASN 216.A OD1 no hydrogen 2.750 N/A TYR 214.A OH VAL 167.A O no hydrogen 3.249 N/A ASN 216.A ND2 ASP 357.A OD1 no hydrogen 3.212 N/A LEU 217.A N THR 213.A O no hydrogen 3.368 N/A ASN 218.A N TYR 214.A O no hydrogen 2.544 N/A ARG 219.A N THR 215.A O no hydrogen 3.265 N/A ARG 219.A NH1 GLU 21.A OE1 no hydrogen 2.682 N/A ILE 221.A N LEU 217.A O no hydrogen 3.100 N/A GLY 222.A N ASN 218.A O no hydrogen 2.730 N/A GLN 223.A N ARG 219.A O no hydrogen 3.123 N/A GLN 223.A NE2 THR 351.A O no hydrogen 2.625 N/A ILE 224.A N LEU 220.A O no hydrogen 3.136 N/A VAL 225.A N ILE 221.A O no hydrogen 2.729 N/A SER 226.A N GLY 222.A O no hydrogen 2.748 N/A SER 226.A OG GLU 26.A OE2 no hydrogen 2.855 N/A SER 227.A N GLN 223.A O no hydrogen 2.876 N/A SER 227.A OG GLN 223.A O no hydrogen 3.524 N/A ILE 228.A N ILE 224.A O no hydrogen 3.189 N/A ILE 228.A N VAL 225.A O no hydrogen 3.104 N/A THR 229.A N VAL 225.A O no hydrogen 3.075 N/A THR 229.A OG1 TYR 23.A OH no hydrogen 3.154 N/A THR 229.A OG1 VAL 225.A O no hydrogen 2.849 N/A THR 229.A OG1 SER 226.A O no hydrogen 3.214 N/A ALA 230.A N SER 226.A O no hydrogen 2.761 N/A SER 231.A OG ILE 228.A O no hydrogen 2.873 N/A LEU 232.A N THR 229.A O no hydrogen 2.384 N/A ARG 233.A N THR 229.A O no hydrogen 3.177 N/A ARG 233.A N ALA 230.A O no hydrogen 2.976 N/A ARG 233.A NE HIS 27.A NE2 no hydrogen 3.044 N/A ARG 233.A NH1 SER 226.A O no hydrogen 3.323 N/A ARG 233.A NH2 GLU 26.A OE2 no hydrogen 2.149 N/A PHE 234.A N ALA 230.A O no hydrogen 2.908 N/A ASP 235.A N SER 231.A O no hydrogen 3.143 N/A VAL 240.A N GLU 244.A OE1 no hydrogen 2.657 N/A THR 243.A OG1 ASP 241.A OD1 no hydrogen 3.522 N/A GLU 244.A N ASP 241.A O no hydrogen 2.813 N/A PHE 245.A N LEU 242.A O no hydrogen 3.057 N/A THR 247.A N THR 243.A O no hydrogen 2.978 N/A THR 247.A OG1 THR 243.A O no hydrogen 3.140 N/A ASN 248.A N GLU 244.A O no hydrogen 2.716 N/A LEU 249.A N PHE 245.A O no hydrogen 2.752 N/A VAL 250.A N GLN 246.A O no hydrogen 3.034 N/A ARG 254.A NH2 ASP 414.A OD1 no hydrogen 2.282 N/A LEU 259.A N SER 369.A O no hydrogen 2.729 N/A SER 267.A OG GLU 269.A OE1 no hydrogen 3.294 N/A ALA 268.A N ASP 357.A O no hydrogen 2.853 N/A LYS 270.A N SER 267.A O no hydrogen 2.742 N/A LYS 270.A NZ SER 267.A OG no hydrogen 3.334 N/A HIS 273.A N LYS 270.A O no hydrogen 2.769 N/A GLU 280.A N SER 277.A OG no hydrogen 3.019 N/A ILE 281.A N SER 277.A O no hydrogen 3.076 N/A THR 282.A N VAL 278.A O no hydrogen 3.407 N/A THR 282.A OG1 VAL 278.A O no hydrogen 2.671 N/A THR 282.A OG1 TYR 309.A OH no hydrogen 2.446 N/A ASN 283.A N ALA 279.A O no hydrogen 2.950 N/A ALA 284.A N GLU 280.A O no hydrogen 3.212 N/A CYS 285.A N THR 282.A O no hydrogen 3.161 N/A CYS 285.A SG ILE 281.A O no hydrogen 3.499 N/A PHE 286.A N ASN 283.A O no hydrogen 3.209 N/A GLU 287.A N ALA 284.A O no hydrogen 3.217 N/A ALA 289.A N GLU 287.A OE2 no hydrogen 3.228 N/A ASN 290.A N GLU 287.A O no hydrogen 2.841 N/A GLN 291.A N PRO 288.A O no hydrogen 2.780 N/A LYS 294.A N ASP 195.A OD2 no hydrogen 3.111 N/A CYS 295.A SG GLN 291.A OE1 no hydrogen 4.040 N/A CYS 295.A SG VAL 293.A O no hydrogen 3.507 N/A ASP 296.A N GLU 376.A OE2 no hydrogen 3.053 N/A HIS 299.A ND1 GLU 376.A OE1 no hydrogen 2.903 N/A LYS 301.A N THR 372.A OG1 no hydrogen 2.871 N/A TYR 302.A N GLN 332.A O no hydrogen 2.799 N/A MET 303.A N ASN 370.A O no hydrogen 3.071 N/A CYS 306.A SG LYS 342.A O no hydrogen 3.894 N/A TYR 309.A N GLY 344.A O no hydrogen 2.705 N/A TYR 309.A OH THR 282.A OG1 no hydrogen 2.446 N/A ARG 310.A N ALA 364.A O no hydrogen 2.873 N/A ARG 310.A NE GLN 348.A O no hydrogen 3.525 N/A ARG 310.A NH1 GLU 26.A OE2 no hydrogen 2.995 N/A ARG 310.A NH2 GLN 348.A O no hydrogen 3.530 N/A GLY 311.A N ASN 346.A O no hydrogen 2.596 N/A ASP 317.A N VAL 314.A O no hydrogen 3.006 N/A VAL 318.A N VAL 314.A O no hydrogen 3.441 N/A ASN 319.A N PRO 315.A O no hydrogen 2.720 N/A ALA 320.A N LYS 316.A O no hydrogen 3.223 N/A ALA 321.A N ASP 317.A O no hydrogen 2.597 N/A ILE 322.A N VAL 318.A O no hydrogen 2.904 N/A ALA 323.A N ASN 319.A O no hydrogen 3.155 N/A THR 324.A N ALA 321.A O no hydrogen 3.036 N/A THR 324.A OG1 ALA 321.A O no hydrogen 3.069 N/A ILE 325.A N ALA 321.A O no hydrogen 3.366 N/A LYS 326.A N ILE 322.A O no hydrogen 3.259 N/A THR 327.A N ALA 323.A O no hydrogen 3.259 N/A THR 327.A OG1 ALA 323.A O no hydrogen 3.248 N/A LYS 328.A N THR 324.A O no hydrogen 3.290 N/A VAL 334.A N TYR 302.A O no hydrogen 2.876 N/A CYS 337.A SG MET 303.A O no hydrogen 3.422 N/A LYS 342.A N CYS 305.A O no hydrogen 3.490 N/A GLY 344.A N LEU 307.A O no hydrogen 2.884 N/A ASN 346.A N TYR 309.A O no hydrogen 2.997 N/A GLN 348.A NE2 PRO 349.A O no hydrogen 3.212 N/A THR 351.A OG1 GLU 26.A OE1 no hydrogen 2.962 N/A GLY 356.A N VAL 353.A O no hydrogen 2.848 N/A ALA 359.A N ILE 266.A O no hydrogen 3.103 N/A ARG 363.A NH1 ASP 312.A O no hydrogen 2.045 N/A ARG 363.A NH2 ASP 312.A OD2 no hydrogen 3.437 N/A ALA 364.A N ARG 310.A O no hydrogen 2.995 N/A LEU 368.A N CYS 306.A O no hydrogen 3.128 N/A SER 369.A N LEU 259.A O no hydrogen 3.097 N/A ASN 370.A N ALA 304.A O no hydrogen 3.174 N/A THR 371.A OG1 LYS 301.A O no hydrogen 2.996 N/A THR 372.A N LYS 301.A O no hydrogen 2.939 N/A ALA 373.A N THR 371.A OG1 no hydrogen 3.253 N/A ILE 374.A N THR 371.A O no hydrogen 3.388 N/A ALA 375.A N THR 372.A O no hydrogen 3.351 N/A GLU 376.A N ALA 373.A O no hydrogen 2.892 N/A ALA 377.A N ILE 374.A O no hydrogen 2.796 N/A TRP 378.A N ALA 375.A O no hydrogen 2.919 N/A ALA 379.A N ALA 375.A O no hydrogen 3.175 N/A ALA 379.A N GLU 376.A O no hydrogen 3.092 N/A ARG 380.A N GLU 376.A O no hydrogen 3.046 N/A ASP 382.A N TRP 378.A O no hydrogen 3.180 N/A HIS 383.A N ALA 379.A O no hydrogen 2.671 N/A PHE 385.A N LEU 381.A O no hydrogen 2.888 N/A ASP 386.A N ASP 382.A O no hydrogen 2.750 N/A LEU 387.A N HIS 383.A O no hydrogen 3.153 N/A LEU 387.A N LYS 384.A O no hydrogen 2.827 N/A MET 388.A N LYS 384.A O no hydrogen 3.142 N/A TYR 389.A N PHE 385.A O no hydrogen 2.949 N/A TYR 389.A OH GLU 405.A O no hydrogen 3.190 N/A ALA 390.A N ASP 386.A O no hydrogen 2.881 N/A LYS 391.A N MET 388.A O no hydrogen 2.843 N/A ARG 392.A N TYR 389.A O no hydrogen 2.845 N/A ARG 392.A NE TYR 389.A O no hydrogen 3.073 N/A VAL 395.A N ARG 392.A O no hydrogen 2.553 N/A TRP 397.A N PHE 394.A O no hydrogen 2.944 N/A TYR 398.A N VAL 395.A O no hydrogen 2.713 N/A TYR 398.A OH ASN 176.A OD1 no hydrogen 3.045 N/A VAL 399.A N VAL 395.A O no hydrogen 3.191 N/A GLU 401.A N TYR 398.A O no hydrogen 2.843 N/A GLY 402.A N VAL 399.A O no hydrogen 3.045 N/A MET 403.A N TYR 398.A O no hydrogen 3.218 N/A GLU 407.A N GLU 404.A O no hydrogen 2.910 N/A PHE 408.A N GLU 405.A O no hydrogen 3.243 N/A SER 409.A N GLU 405.A O no hydrogen 3.501 N/A GLU 410.A N GLY 406.A O no hydrogen 3.060 N/A ALA 411.A N GLU 407.A O no hydrogen 3.339 N/A ARG 412.A N PHE 408.A O no hydrogen 3.059 N/A ARG 412.A NH1 ARG 412.A O no hydrogen 2.867 N/A ARG 412.A NH2 ASP 386.A OD2 no hydrogen 2.973 N/A GLU 413.A N SER 409.A O no hydrogen 2.984 N/A ASP 414.A N GLU 410.A O no hydrogen 3.320 N/A ASP 414.A N ALA 411.A O no hydrogen 3.099 N/A MET 415.A N ALA 411.A O no hydrogen 3.024 N/A ALA 416.A N ARG 412.A O no hydrogen 2.936 N/A ALA 417.A N GLU 413.A O no hydrogen 3.267 N/A LEU 418.A N ASP 414.A O no hydrogen 2.805 N/A GLU 419.A N MET 415.A O no hydrogen 3.158 N/A LYS 420.A N ALA 416.A O no hydrogen 2.815 N/A LYS 420.A NZ GLU 424.A OE2 no hydrogen 3.522 N/A ASP 421.A N ALA 417.A O no hydrogen 2.865 N/A TYR 422.A N LEU 418.A O no hydrogen 2.874 N/A GLU 423.A N LYS 420.A O no hydrogen 3.062 N/A GLU 424.A N LYS 420.A O no hydrogen 2.951 N/A GLU 424.A N ASP 421.A O no hydrogen 2.936 N/A GLY 426.A N GLU 423.A O no hydrogen 3.391 N/A