Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hkd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N GLY 124.A O no hydrogen 3.251 N/A SER 5.A N ARG 54.A O no hydrogen 3.014 N/A ILE 6.A N LEU 126.A O no hydrogen 2.752 N/A HIS 7.A N VAL 56.A O no hydrogen 3.025 N/A VAL 8.A N PHE 128.A O no hydrogen 2.958 N/A GLY 9.A N VAL 58.A O no hydrogen 2.884 N/A VAL 13.A N GLY 9.A O no hydrogen 2.887 N/A GLN 14.A N GLN 10.A O no hydrogen 3.094 N/A ILE 15.A N ALA 11.A O no hydrogen 2.966 N/A GLY 16.A N GLY 12.A O no hydrogen 2.791 N/A ASN 17.A N VAL 13.A O no hydrogen 2.744 N/A ALA 18.A N GLN 14.A O no hydrogen 3.149 N/A ALA 18.A N ILE 15.A O no hydrogen 3.006 N/A CYS 19.A N GLY 16.A O no hydrogen 2.739 N/A CYS 19.A SG ILE 15.A O no hydrogen 3.873 N/A TRP 20.A N GLY 16.A O no hydrogen 2.630 N/A GLU 21.A N ASN 17.A O no hydrogen 3.372 N/A TYR 23.A N CYS 19.A O no hydrogen 2.744 N/A TYR 23.A OH THR 229.A OG1 no hydrogen 3.312 N/A CYS 24.A N TRP 20.A O no hydrogen 2.914 N/A LEU 25.A N GLU 21.A O no hydrogen 3.150 N/A GLU 26.A N LEU 22.A O no hydrogen 3.276 N/A HIS 27.A N TYR 23.A O no hydrogen 3.055 N/A GLY 28.A N LEU 25.A O no hydrogen 3.048 N/A ILE 29.A N CYS 24.A O no hydrogen 3.034 N/A GLN 30.A N GLN 34.A O no hydrogen 3.222 N/A GLY 33.A N GLN 30.A O no hydrogen 2.787 N/A PHE 39.A N ASP 37.A O no hydrogen 3.262 N/A PHE 42.A N PHE 39.A O no hydrogen 3.436 N/A SER 44.A N VAL 52.A O no hydrogen 2.915 N/A THR 46.A N SER 44.A O no hydrogen 2.851 N/A LYS 50.A NZ GLN 75.A O no hydrogen 3.358 N/A HIS 51.A ND1 LYS 50.A O no hydrogen 2.635 N/A ARG 54.A N PHE 42.A O no hydrogen 2.971 N/A ARG 54.A NH1 ASN 40.A O no hydrogen 2.885 N/A ARG 54.A NH2 ASN 40.A O no hydrogen 2.798 N/A VAL 56.A N SER 5.A O no hydrogen 2.797 N/A PHE 57.A N GLN 81.A O no hydrogen 2.919 N/A VAL 58.A N HIS 7.A O no hydrogen 3.094 N/A ASP 59.A N ILE 83.A O no hydrogen 3.189 N/A LEU 60.A N ASP 59.A OD2 no hydrogen 2.958 N/A THR 63.A OG1 GLU 61.A OE1 no hydrogen 2.838 N/A ILE 65.A N PRO 62.A O no hydrogen 3.169 N/A GLU 67.A N THR 63.A O no hydrogen 3.297 N/A VAL 68.A N ILE 65.A O no hydrogen 3.287 N/A GLY 71.A N GLU 67.A O no hydrogen 3.251 N/A ARG 74.A N GLY 71.A O no hydrogen 3.320 N/A LEU 76.A N TYR 73.A O no hydrogen 2.512 N/A GLN 81.A N HIS 78.A O no hydrogen 2.401 N/A ILE 83.A N PHE 57.A O no hydrogen 2.705 N/A GLU 87.A N GLY 85.A O no hydrogen 3.032 N/A ALA 89.A N ASP 88.A OD1 no hydrogen 2.544 N/A ALA 90.A N ASP 88.A OD1 no hydrogen 3.135 N/A TYR 93.A N ASN 176.A OD1 no hydrogen 3.058 N/A TYR 93.A OH SER 141.A OG no hydrogen 3.105 N/A TYR 93.A OH THR 183.A OG1 no hydrogen 2.959 N/A ARG 95.A NE ASP 88.A O no hydrogen 3.239 N/A ARG 95.A NH1 GLU 401.A OE1 no hydrogen 2.918 N/A ARG 95.A NH2 ASP 88.A O no hydrogen 3.281 N/A GLY 96.A N ASN 92.A O no hydrogen 3.088 N/A HIS 97.A N TYR 93.A O no hydrogen 2.719 N/A HIS 97.A ND1 TYR 93.A OH no hydrogen 2.609 N/A TYR 98.A N ALA 94.A O no hydrogen 2.762 N/A TYR 98.A OH GLU 407.A OE1 no hydrogen 2.724 N/A TYR 98.A OH GLU 407.A OE2 no hydrogen 2.847 N/A THR 99.A N ARG 95.A O no hydrogen 3.315 N/A THR 99.A OG1 GLU 401.A O no hydrogen 3.222 N/A THR 99.A OG1 GLU 401.A OE2 no hydrogen 3.460 N/A ILE 100.A N ARG 95.A O no hydrogen 2.892 N/A ILE 104.A N GLY 101.A O no hydrogen 2.930 N/A ILE 105.A N GLY 101.A O no hydrogen 3.321 N/A LEU 107.A N ILE 104.A O no hydrogen 2.743 N/A VAL 108.A N ILE 104.A O no hydrogen 3.047 N/A LEU 109.A N ILE 105.A O no hydrogen 2.976 N/A ASP 110.A N LEU 107.A O no hydrogen 3.191 N/A ARG 111.A N LEU 107.A O no hydrogen 2.904 N/A ILE 112.A N VAL 108.A O no hydrogen 2.951 N/A ARG 113.A N LEU 109.A O no hydrogen 3.400 N/A LYS 114.A N ASP 110.A O no hydrogen 3.129 N/A LEU 115.A N ILE 112.A O no hydrogen 2.873 N/A ALA 116.A N ILE 112.A O no hydrogen 3.102 N/A ASP 117.A N LYS 114.A O no hydrogen 3.207 N/A CYS 119.A SG LEU 115.A O no hydrogen 3.340 N/A THR 120.A N GLU 2.A OE2 no hydrogen 2.745 N/A THR 120.A OG1 GLU 2.A OE2 no hydrogen 3.523 N/A GLN 123.A N GLU 2.A O no hydrogen 3.069 N/A PHE 125.A N SER 155.A O no hydrogen 2.969 N/A LEU 126.A N ILE 4.A O no hydrogen 3.004 N/A VAL 127.A N LEU 157.A O no hydrogen 2.924 N/A PHE 128.A N ILE 6.A O no hydrogen 2.677 N/A HIS 129.A N PHE 159.A O no hydrogen 3.259 N/A PHE 131.A N ILE 161.A O no hydrogen 3.114 N/A SER 137.A N GLY 133.A O no hydrogen 3.034 N/A SER 137.A OG GLY 133.A O no hydrogen 2.848 N/A SER 137.A OG GLY 134.A O no hydrogen 3.132 N/A GLY 138.A N GLY 134.A O no hydrogen 2.908 N/A PHE 139.A N THR 135.A O no hydrogen 2.733 N/A THR 140.A OG1 GLY 136.A O no hydrogen 2.487 N/A SER 141.A N SER 137.A O no hydrogen 3.184 N/A SER 141.A OG TYR 93.A OH no hydrogen 3.105 N/A LEU 142.A N GLY 138.A O no hydrogen 3.217 N/A LEU 143.A N PHE 139.A O no hydrogen 2.584 N/A MET 144.A N THR 140.A O no hydrogen 2.985 N/A GLU 145.A N SER 141.A O no hydrogen 3.243 N/A ARG 146.A N LEU 142.A O no hydrogen 3.255 N/A LEU 147.A N LEU 143.A O no hydrogen 2.661 N/A SER 148.A N MET 144.A O no hydrogen 2.767 N/A VAL 149.A N ARG 146.A O no hydrogen 2.795 N/A ASP 150.A N ARG 146.A O no hydrogen 2.868 N/A TYR 151.A N LEU 147.A O no hydrogen 2.988 N/A LYS 154.A NZ LEU 122.A O no hydrogen 3.538 N/A LYS 156.A N ASP 189.A OD1 no hydrogen 3.451 N/A LYS 156.A NZ HIS 187.A O no hydrogen 3.084 N/A LEU 157.A N PHE 125.A O no hydrogen 2.874 N/A GLU 158.A N CYS 190.A O no hydrogen 3.158 N/A PHE 159.A N VAL 127.A O no hydrogen 3.073 N/A SER 160.A N PHE 192.A O no hydrogen 2.941 N/A ILE 161.A N HIS 129.A O no hydrogen 3.124 N/A TYR 162.A OH ALA 377.A O no hydrogen 3.403 N/A SER 168.A OG ALA 170.A O no hydrogen 3.498 N/A SER 168.A OG GLU 173.A OE2 no hydrogen 2.565 N/A THR 169.A N SER 168.A OG no hydrogen 2.593 N/A ALA 170.A N SER 168.A OG no hydrogen 3.261 N/A ASN 176.A ND2 ASN 91.A O no hydrogen 3.264 N/A SER 177.A N GLU 173.A O no hydrogen 3.293 N/A SER 177.A OG GLU 173.A O no hydrogen 3.194 N/A SER 177.A OG PRO 174.A O no hydrogen 3.341 N/A ILE 178.A N PRO 174.A O no hydrogen 3.173 N/A LEU 179.A N TYR 175.A O no hydrogen 2.863 N/A THR 180.A N ASN 176.A O no hydrogen 3.083 N/A THR 180.A OG1 SER 137.A O no hydrogen 3.021 N/A THR 181.A N SER 177.A O no hydrogen 2.823 N/A HIS 182.A N LEU 179.A O no hydrogen 3.093 N/A HIS 182.A ND1 ASP 414.A OD2 no hydrogen 2.896 N/A HIS 182.A NE2 GLU 410.A OE2 no hydrogen 3.248 N/A THR 183.A N LEU 179.A O no hydrogen 3.451 N/A THR 183.A OG1 TYR 93.A OH no hydrogen 2.959 N/A THR 183.A OG1 SER 141.A OG no hydrogen 3.072 N/A THR 183.A OG1 LEU 179.A O no hydrogen 3.331 N/A THR 183.A OG1 THR 180.A O no hydrogen 3.433 N/A THR 184.A N THR 180.A O no hydrogen 2.664 N/A HIS 187.A N THR 184.A O no hydrogen 3.117 N/A ASP 189.A N LYS 156.A O no hydrogen 3.030 N/A CYS 190.A SG HIS 256.A O no hydrogen 4.040 N/A PHE 192.A N GLU 158.A O no hydrogen 2.829 N/A VAL 194.A N SER 160.A O no hydrogen 2.850 N/A ASP 195.A N MET 292.A O no hydrogen 3.034 N/A ASN 196.A N TYR 162.A O no hydrogen 3.044 N/A GLU 197.A N ASP 195.A OD1 no hydrogen 2.781 N/A ILE 199.A N ASP 195.A O no hydrogen 3.197 N/A ILE 199.A N ASN 196.A O no hydrogen 3.064 N/A TYR 200.A N ASN 196.A O no hydrogen 2.816 N/A ASP 201.A N GLU 197.A O no hydrogen 2.889 N/A ILE 202.A N ALA 198.A O no hydrogen 3.057 N/A CYS 203.A N ILE 199.A O no hydrogen 3.289 N/A CYS 203.A SG ILE 199.A O no hydrogen 3.097 N/A ARG 204.A N TYR 200.A O no hydrogen 3.354 N/A ARG 204.A N ASP 201.A O no hydrogen 3.088 N/A ARG 205.A N ASP 201.A O no hydrogen 3.141 N/A ARG 205.A N ILE 202.A O no hydrogen 3.257 N/A ARG 205.A NH2 ASP 201.A OD1 no hydrogen 3.291 N/A ASN 206.A N ILE 202.A O no hydrogen 2.558 N/A ASN 206.A ND2 ILE 202.A O no hydrogen 2.976 N/A LEU 207.A N CYS 203.A O no hydrogen 3.185 N/A ILE 209.A N CYS 203.A O no hydrogen 3.259 N/A THR 213.A N ASN 216.A OD1 no hydrogen 3.365 N/A THR 213.A OG1 ASN 216.A OD1 no hydrogen 3.029 N/A TYR 214.A OH VAL 167.A O no hydrogen 3.316 N/A LEU 217.A N THR 213.A O no hydrogen 3.151 N/A ASN 218.A N TYR 214.A O no hydrogen 2.685 N/A ARG 219.A NH1 GLU 21.A OE1 no hydrogen 2.794 N/A ILE 221.A N LEU 217.A O no hydrogen 3.194 N/A GLY 222.A N ASN 218.A O no hydrogen 2.729 N/A GLN 223.A N ARG 219.A O no hydrogen 3.234 N/A GLN 223.A NE2 THR 351.A O no hydrogen 2.975 N/A ILE 224.A N LEU 220.A O no hydrogen 3.322 N/A ILE 224.A N ILE 221.A O no hydrogen 2.874 N/A VAL 225.A N ILE 221.A O no hydrogen 2.836 N/A SER 226.A N GLY 222.A O no hydrogen 3.167 N/A SER 226.A OG GLU 26.A OE1 no hydrogen 3.153 N/A SER 226.A OG GLU 26.A OE2 no hydrogen 3.161 N/A SER 227.A N ILE 224.A O no hydrogen 2.836 N/A ILE 228.A N ILE 224.A O no hydrogen 2.953 N/A ILE 228.A N VAL 225.A O no hydrogen 2.666 N/A THR 229.A N VAL 225.A O no hydrogen 2.806 N/A THR 229.A OG1 TYR 23.A OH no hydrogen 3.312 N/A THR 229.A OG1 VAL 225.A O no hydrogen 3.258 N/A SER 231.A OG ILE 228.A O no hydrogen 3.012 N/A LEU 232.A N THR 229.A O no hydrogen 2.792 N/A ARG 233.A N ALA 230.A O no hydrogen 2.997 N/A ARG 233.A NE HIS 27.A NE2 no hydrogen 3.143 N/A ARG 233.A NH1 SER 226.A O no hydrogen 3.420 N/A PHE 234.A N ALA 230.A O no hydrogen 3.520 N/A ASN 239.A ND2 ASN 248.A OD1 no hydrogen 3.322 N/A VAL 240.A N GLU 244.A OE1 no hydrogen 3.258 N/A GLU 244.A N ASP 241.A O no hydrogen 3.030 N/A GLU 244.A N ASP 241.A OD1 no hydrogen 3.208 N/A PHE 245.A N LEU 242.A O no hydrogen 3.104 N/A GLN 246.A N THR 243.A O no hydrogen 3.232 N/A THR 247.A N THR 243.A O no hydrogen 3.180 N/A ASN 248.A N GLU 244.A O no hydrogen 3.002 N/A VAL 250.A N GLN 246.A O no hydrogen 2.783 N/A ARG 254.A NH1 ASP 421.A OD2 no hydrogen 2.721 N/A LEU 259.A N SER 369.A O no hydrogen 2.526 N/A ALA 268.A N ASP 357.A O no hydrogen 3.102 N/A LYS 270.A N SER 267.A O no hydrogen 2.614 N/A HIS 273.A N LYS 270.A O no hydrogen 2.974 N/A ILE 281.A N SER 277.A O no hydrogen 3.237 N/A THR 282.A OG1 VAL 278.A O no hydrogen 2.847 N/A THR 282.A OG1 TYR 309.A OH no hydrogen 2.904 N/A ASN 283.A N ALA 279.A O no hydrogen 3.055 N/A ALA 284.A N ILE 281.A O no hydrogen 3.017 N/A CYS 285.A N ILE 281.A O no hydrogen 3.364 N/A CYS 285.A N THR 282.A O no hydrogen 2.971 N/A CYS 285.A SG ILE 281.A O no hydrogen 3.802 N/A ASN 290.A N GLU 287.A O no hydrogen 2.800 N/A LYS 294.A N ASP 195.A OD2 no hydrogen 3.077 N/A CYS 295.A SG GLN 291.A OE1 no hydrogen 4.028 N/A CYS 295.A SG VAL 293.A O no hydrogen 3.589 N/A ARG 298.A N ASP 296.A OD1 no hydrogen 3.329 N/A TYR 302.A N GLN 332.A O no hydrogen 2.941 N/A MET 303.A N ASN 370.A O no hydrogen 3.278 N/A CYS 306.A N LEU 368.A O no hydrogen 3.038 N/A CYS 306.A SG LYS 342.A O no hydrogen 3.615 N/A LEU 307.A N LYS 342.A O no hydrogen 3.063 N/A TYR 309.A N GLY 344.A O no hydrogen 2.661 N/A TYR 309.A OH THR 282.A OG1 no hydrogen 2.904 N/A ARG 310.A N ALA 364.A O no hydrogen 2.918 N/A ARG 310.A NE GLN 348.A O no hydrogen 3.462 N/A ARG 310.A NH2 GLN 348.A O no hydrogen 3.415 N/A GLY 311.A N ASN 346.A O no hydrogen 2.688 N/A ASP 312.A N GLN 362.A O no hydrogen 3.314 N/A ASP 317.A N VAL 314.A O no hydrogen 3.090 N/A ASN 319.A N PRO 315.A O no hydrogen 3.180 N/A ALA 321.A N ASP 317.A O no hydrogen 3.222 N/A ILE 322.A N VAL 318.A O no hydrogen 2.997 N/A ALA 323.A N ASN 319.A O no hydrogen 2.888 N/A THR 324.A N ALA 320.A O no hydrogen 3.384 N/A THR 324.A N ALA 321.A O no hydrogen 3.133 N/A THR 324.A OG1 ALA 320.A O no hydrogen 3.203 N/A THR 324.A OG1 ALA 321.A O no hydrogen 3.429 N/A ILE 325.A N ILE 322.A O no hydrogen 2.564 N/A LYS 326.A N ILE 322.A O no hydrogen 3.245 N/A LYS 326.A N ALA 323.A O no hydrogen 3.256 N/A THR 327.A N ALA 323.A O no hydrogen 3.416 N/A ARG 329.A N ILE 325.A O no hydrogen 3.105 N/A CYS 337.A SG MET 303.A O no hydrogen 3.475 N/A PHE 341.A N CYS 305.A O no hydrogen 2.892 N/A LYS 342.A N CYS 305.A O no hydrogen 3.349 N/A GLY 344.A N LEU 307.A O no hydrogen 2.906 N/A ASN 346.A N TYR 309.A O no hydrogen 3.132 N/A GLY 356.A N VAL 353.A O no hydrogen 2.847 N/A ALA 359.A N ILE 266.A O no hydrogen 2.879 N/A ARG 363.A NH2 ASP 312.A OD2 no hydrogen 3.420 N/A ALA 364.A N ARG 310.A O no hydrogen 2.766 N/A CYS 366.A SG CYS 366.A O no hydrogen 2.703 N/A LEU 368.A N CYS 306.A O no hydrogen 2.931 N/A SER 369.A N LEU 259.A O no hydrogen 2.883 N/A SER 369.A OG LEU 259.A O no hydrogen 3.399 N/A ASN 370.A N ALA 304.A O no hydrogen 2.889 N/A THR 371.A OG1 LYS 301.A O no hydrogen 3.550 N/A THR 372.A N LYS 301.A O no hydrogen 3.100 N/A THR 372.A OG1 LYS 301.A O no hydrogen 3.104 N/A ALA 373.A N THR 371.A OG1 no hydrogen 3.003 N/A GLU 376.A N ALA 373.A O no hydrogen 2.837 N/A TRP 378.A N ALA 375.A O no hydrogen 3.175 N/A ARG 380.A N GLU 376.A O no hydrogen 3.079 N/A HIS 383.A N ALA 379.A O no hydrogen 2.817 N/A LYS 384.A N LEU 381.A O no hydrogen 2.644 N/A ASP 386.A N ASP 382.A O no hydrogen 2.660 N/A LEU 387.A N HIS 383.A O no hydrogen 2.909 N/A MET 388.A N LYS 384.A O no hydrogen 3.023 N/A MET 388.A N PHE 385.A O no hydrogen 3.283 N/A TYR 389.A N PHE 385.A O no hydrogen 3.033 N/A TYR 389.A OH GLU 405.A O no hydrogen 2.671 N/A ALA 390.A N ASP 386.A O no hydrogen 3.151 N/A LYS 391.A N MET 388.A O no hydrogen 2.583 N/A ARG 392.A N TYR 389.A O no hydrogen 2.769 N/A ARG 392.A NE TYR 389.A O no hydrogen 2.965 N/A ARG 392.A NH1 GLU 405.A OE2 no hydrogen 3.324 N/A ARG 392.A NH2 TYR 389.A O no hydrogen 3.506 N/A VAL 395.A N ARG 392.A O no hydrogen 2.634 N/A TRP 397.A N PHE 394.A O no hydrogen 3.166 N/A TYR 398.A N VAL 395.A O no hydrogen 2.619 N/A TYR 398.A OH ASN 176.A OD1 no hydrogen 2.630 N/A VAL 399.A N VAL 395.A O no hydrogen 3.379 N/A GLY 400.A N HIS 396.A O no hydrogen 2.978 N/A GLY 402.A N TYR 398.A O no hydrogen 3.131 N/A MET 403.A N TYR 398.A O no hydrogen 3.202 N/A GLU 407.A N GLU 404.A O no hydrogen 2.786 N/A GLU 410.A N GLY 406.A O no hydrogen 2.906 N/A ALA 411.A N PHE 408.A O no hydrogen 2.963 N/A ARG 412.A N PHE 408.A O no hydrogen 3.175 N/A ARG 412.A NH1 ARG 412.A O no hydrogen 3.346 N/A GLU 413.A N SER 409.A O no hydrogen 3.038 N/A ASP 414.A N ALA 411.A O no hydrogen 3.057 N/A MET 415.A N ALA 411.A O no hydrogen 3.319 N/A ALA 416.A N ARG 412.A O no hydrogen 2.793 N/A ALA 417.A N GLU 413.A O no hydrogen 3.084 N/A LEU 418.A N ASP 414.A O no hydrogen 2.690 N/A GLU 419.A N MET 415.A O no hydrogen 2.699 N/A LYS 420.A N ALA 417.A O no hydrogen 3.179 N/A ASP 421.A N ALA 417.A O no hydrogen 3.069 N/A TYR 422.A N LEU 418.A O no hydrogen 2.981 N/A GLU 423.A N GLU 419.A O no hydrogen 3.344 N/A GLU 424.A N LYS 420.A O no hydrogen 2.813 N/A GLY 426.A N GLU 423.A O no hydrogen 3.269 N/A