Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kre_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 1.A O no hydrogen 3.374 N/A LYS 7.A N GLN 3.A O no hydrogen 2.937 N/A LYS 7.A NZ GLU 4.A OE2 no hydrogen 2.941 N/A ALA 8.A N GLU 4.A O no hydrogen 3.156 N/A ILE 10.A N ARG 6.A O no hydrogen 2.974 N/A ILE 11.A N LYS 7.A O no hydrogen 3.096 N/A ALA 12.A N ALA 8.A O no hydrogen 3.225 N/A ALA 13.A N ASN 9.A O no hydrogen 2.867 N/A ARG 14.A N ILE 10.A O no hydrogen 2.822 N/A SER 15.A N ILE 11.A O no hydrogen 3.079 N/A SER 15.A OG ILE 11.A O no hydrogen 3.032 N/A ALA 17.A N ALA 13.A O no hydrogen 3.210 N/A ASP 18.A N ARG 14.A O no hydrogen 2.978 N/A ALA 19.A N SER 15.A O no hydrogen 3.300 N/A ILE 20.A N VAL 16.A O no hydrogen 3.174 N/A ARG 21.A N ALA 17.A O no hydrogen 2.844 N/A ARG 21.A NE THR 400.A OG1 no hydrogen 3.132 N/A THR 22.A OG1 ALA 19.A O no hydrogen 3.034 N/A SER 23.A N ILE 20.A O no hydrogen 2.986 N/A SER 23.A OG MET 29.A O no hydrogen 2.735 N/A LEU 24.A N ARG 21.A O no hydrogen 3.481 N/A GLY 28.A N GLY 25.A O no hydrogen 3.179 N/A MET 29.A N THR 22.A O no hydrogen 2.452 N/A LYS 31.A NZ ALA 19.A O no hydrogen 3.514 N/A THR 35.A N GLU 39.A O no hydrogen 3.148 N/A THR 35.A OG1 GLU 39.A O no hydrogen 2.818 N/A GLY 38.A N THR 35.A O no hydrogen 3.117 N/A ASP 45.A N SER 43.A OG no hydrogen 3.350 N/A GLY 46.A N THR 79.A OG1 no hydrogen 3.278 N/A HIS 47.A N ASP 45.A OD1 no hydrogen 3.118 N/A THR 48.A OG1 ASP 45.A O no hydrogen 2.877 N/A ILE 49.A N ASP 45.A O no hydrogen 3.258 N/A LEU 50.A N GLY 46.A O no hydrogen 3.260 N/A LYS 51.A N HIS 47.A O no hydrogen 3.320 N/A GLN 52.A N THR 48.A O no hydrogen 3.386 N/A HIS 57.A NE2 ASN 9.A OD1 no hydrogen 2.587 N/A VAL 59.A N HIS 57.A ND1 no hydrogen 3.102 N/A ALA 60.A N HIS 57.A ND1 no hydrogen 3.048 N/A ARG 61.A N HIS 57.A O no hydrogen 3.330 N/A ARG 61.A NE ILE 55.A O no hydrogen 2.472 N/A ARG 61.A NH2 ILE 55.A O no hydrogen 3.113 N/A MET 62.A N VAL 59.A O no hydrogen 3.084 N/A LEU 63.A N ALA 60.A O no hydrogen 3.388 N/A VAL 64.A N ARG 61.A O no hydrogen 3.133 N/A GLU 65.A N ARG 61.A O no hydrogen 3.438 N/A VAL 66.A N MET 62.A O no hydrogen 2.987 N/A SER 67.A N LEU 63.A O no hydrogen 2.943 N/A SER 67.A OG LEU 63.A O no hydrogen 2.831 N/A ALA 68.A N VAL 64.A O no hydrogen 2.881 N/A ALA 69.A N GLU 65.A O no hydrogen 3.006 N/A GLN 70.A N VAL 66.A O no hydrogen 2.683 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 3.511 N/A GLN 70.A NE2 ASP 76.A O no hydrogen 2.845 N/A GLN 70.A NE2 SER 443.A OG no hydrogen 3.050 N/A ASP 71.A N SER 67.A O no hydrogen 3.221 N/A SER 72.A N ALA 68.A O no hydrogen 3.081 N/A SER 72.A OG ALA 68.A O no hydrogen 2.892 N/A GLU 73.A N ALA 69.A O no hydrogen 3.010 N/A GLY 75.A N GLN 70.A O no hydrogen 2.737 N/A SER 80.A OG GLY 77.A O no hydrogen 3.128 N/A VAL 81.A N GLY 77.A O no hydrogen 3.007 N/A LEU 84.A N SER 80.A O no hydrogen 2.962 N/A THR 85.A N VAL 81.A O no hydrogen 3.084 N/A THR 85.A OG1 VAL 81.A O no hydrogen 2.744 N/A GLY 86.A N VAL 82.A O no hydrogen 3.150 N/A ALA 87.A N ILE 83.A O no hydrogen 3.133 N/A LEU 89.A N THR 85.A O no hydrogen 3.288 N/A GLY 90.A N GLY 86.A O no hydrogen 3.058 N/A ALA 91.A N ALA 87.A O no hydrogen 2.954 N/A ALA 92.A N LEU 88.A O no hydrogen 2.957 N/A GLU 93.A N GLY 90.A O no hydrogen 3.334 N/A LEU 96.A N ALA 92.A O no hydrogen 3.134 N/A LYS 98.A N LEU 95.A O no hydrogen 3.191 N/A GLY 99.A N LEU 96.A O no hydrogen 3.348 N/A ILE 100.A N LEU 95.A O no hydrogen 3.312 N/A THR 103.A N HIS 101.A ND1 no hydrogen 3.049 N/A THR 103.A OG1 HIS 101.A ND1 no hydrogen 3.009 N/A ILE 105.A N HIS 101.A O no hydrogen 3.482 N/A ALA 106.A N PRO 102.A O no hydrogen 2.692 N/A ASP 107.A N THR 103.A O no hydrogen 2.675 N/A SER 108.A N ILE 104.A O no hydrogen 2.960 N/A SER 108.A OG ILE 104.A O no hydrogen 2.922 N/A GLN 110.A N ASP 107.A O no hydrogen 3.219 N/A ALA 112.A N SER 108.A O no hydrogen 2.946 N/A ALA 113.A N PHE 109.A O no hydrogen 2.828 N/A LYS 114.A N GLN 110.A O no hydrogen 3.194 N/A ARG 115.A N SER 111.A O no hydrogen 3.122 N/A ARG 115.A NE GLU 375.A OE1 no hydrogen 3.388 N/A ARG 115.A NH2 GLU 375.A OE1 no hydrogen 3.521 N/A ARG 115.A NH2 GLU 375.A OE2 no hydrogen 2.911 N/A SER 116.A N ALA 112.A O no hydrogen 3.032 N/A VAL 117.A N ALA 113.A O no hydrogen 3.203 N/A ASP 118.A N LYS 114.A O no hydrogen 3.338 N/A ILE 119.A N ARG 115.A O no hydrogen 3.010 N/A LEU 120.A N SER 116.A O no hydrogen 3.015 N/A LEU 121.A N VAL 117.A O no hydrogen 2.901 N/A GLU 122.A N ILE 119.A O no hydrogen 3.250 N/A CYS 124.A SG HIS 125.A O no hydrogen 3.868 N/A CYS 124.A SG LEU 357.A O no hydrogen 3.239 N/A HIS 125.A N LEU 357.A O no hydrogen 3.322 N/A SER 128.A OG SER 130.A OG no hydrogen 3.194 N/A SER 130.A OG SER 128.A OG no hydrogen 3.194 N/A GLU 133.A N ASP 131.A OD1 no hydrogen 3.032 N/A GLN 134.A NE2 GLN 134.A O no hydrogen 3.339 N/A ALA 138.A N GLN 134.A O no hydrogen 3.190 N/A ALA 139.A N LEU 135.A O no hydrogen 3.179 N/A SER 140.A N VAL 136.A O no hydrogen 2.993 N/A THR 141.A OG1 ALA 138.A O no hydrogen 2.961 N/A LEU 143.A N SER 140.A O no hydrogen 3.328 N/A SER 144.A N THR 141.A O no hydrogen 3.319 N/A SER 144.A OG SER 140.A O no hydrogen 3.413 N/A SER 145.A OG SER 142.A O no hydrogen 3.264 N/A ILE 147.A N GLU 336.A OE2 no hydrogen 2.897 N/A SER 152.A N SER 149.A O no hydrogen 3.049 N/A SER 152.A OG SER 149.A O no hydrogen 2.385 N/A LEU 155.A N SER 152.A O no hydrogen 3.256 N/A ALA 156.A N SER 152.A O no hydrogen 3.277 N/A VAL 160.A N ALA 156.A O no hydrogen 3.327 N/A ASP 161.A N PRO 157.A O no hydrogen 2.987 N/A SER 162.A OG LEU 158.A O no hydrogen 3.339 N/A SER 162.A OG ALA 159.A O no hydrogen 2.913 N/A VAL 163.A N VAL 160.A O no hydrogen 3.256 N/A LEU 164.A N VAL 160.A O no hydrogen 3.141 N/A SER 167.A OG LEU 164.A O no hydrogen 2.919 N/A SER 171.A OG SER 167.A O no hydrogen 3.246 N/A ASN 177.A N ASP 175.A OD1 no hydrogen 2.818 N/A ILE 179.A N LEU 176.A O no hydrogen 3.074 N/A VAL 182.A N VAL 324.A O no hydrogen 2.553 N/A LYS 183.A NZ ASP 335.A OD1 no hydrogen 3.347 N/A LYS 184.A N ILE 326.A O no hydrogen 3.367 N/A LYS 184.A NZ THR 201.A O no hydrogen 2.856 N/A GLY 186.A N GLY 328.A O no hydrogen 2.703 N/A THR 192.A OG1 ILE 189.A O no hydrogen 3.415 N/A THR 212.A OG1 PRO 211.A O no hydrogen 2.305 N/A LYS 214.A N VAL 297.A O no hydrogen 2.771 N/A LYS 214.A NZ GLU 215.A O no hydrogen 2.760 N/A LYS 216.A N ASP 295.A O no hydrogen 2.644 N/A ALA 217.A N ALA 294.A O no hydrogen 2.945 N/A LYS 218.A NZ GLU 288.A OE2 no hydrogen 2.438 N/A GLN 223.A N ILE 280.A O no hydrogen 3.128 N/A GLN 225.A NE2 GLN 236.A O no hydrogen 3.264 N/A SER 227.A OG PRO 228.A O no hydrogen 3.506 N/A VAL 232.A N LYS 218.A O no hydrogen 3.443 N/A LEU 233.A N MET 258.A O no hydrogen 3.379 N/A ILE 235.A N VAL 260.A O no hydrogen 3.274 N/A LYS 237.A N ILE 263.A O no hydrogen 2.901 N/A ASN 245.A N ILE 226.A O no hydrogen 3.250 N/A LEU 247.A N ASN 245.A OD1 no hydrogen 3.076 N/A LEU 249.A N ASN 245.A O no hydrogen 3.269 N/A HIS 250.A N ASP 246.A O no hydrogen 3.448 N/A PHE 251.A N LEU 247.A O no hydrogen 3.054 N/A LEU 252.A N ALA 248.A O no hydrogen 3.081 N/A SER 253.A N LEU 249.A O no hydrogen 3.124 N/A SER 253.A OG GLY 209.A O no hydrogen 2.653 N/A ASN 256.A N SER 253.A O no hydrogen 3.351 N/A ILE 257.A N LEU 252.A O no hydrogen 3.083 N/A VAL 260.A N LEU 233.A O no hydrogen 3.311 N/A LYS 261.A NZ ASP 262.A OD2 no hydrogen 3.215 N/A ILE 263.A N ILE 235.A O no hydrogen 2.961 N/A ARG 265.A NE LYS 237.A O no hydrogen 3.169 N/A GLU 267.A N GLU 264.A O no hydrogen 3.278 N/A ILE 268.A N ARG 265.A O no hydrogen 3.424 N/A LEU 271.A N GLU 267.A O no hydrogen 2.885 N/A SER 272.A N ILE 268.A O no hydrogen 3.226 N/A SER 272.A OG ILE 268.A O no hydrogen 3.384 N/A SER 272.A OG GLU 269.A O no hydrogen 2.762 N/A LYS 273.A N PHE 270.A O no hydrogen 3.361 N/A GLY 274.A N PHE 270.A O no hydrogen 3.492 N/A LEU 275.A N LEU 271.A O no hydrogen 3.393 N/A GLY 276.A N LYS 273.A O no hydrogen 3.053 N/A CYS 277.A SG ILE 219.A O no hydrogen 3.607 N/A CYS 277.A SG LEU 275.A O no hydrogen 3.779 N/A CYS 277.A SG ARG 290.A O no hydrogen 3.558 N/A ILE 280.A N LEU 221.A O no hydrogen 3.064 N/A PHE 286.A N ILE 283.A O no hydrogen 3.037 N/A LEU 291.A N GLU 288.A O no hydrogen 3.037 N/A ALA 294.A N ALA 217.A O no hydrogen 2.897 N/A VAL 297.A N LYS 214.A O no hydrogen 2.771 N/A ILE 300.A N ILE 307.A O no hydrogen 2.916 N/A SER 302.A OG ASP 191.A OD2 no hydrogen 3.562 N/A SER 305.A N ASP 301.A OD1 no hydrogen 2.413 N/A SER 305.A OG ASP 303.A O no hydrogen 3.502 N/A ARG 309.A N GLU 298.A O no hydrogen 3.046 N/A ARG 309.A NE GLU 298.A OE2 no hydrogen 3.050 N/A ARG 309.A NH2 GLU 298.A OE2 no hydrogen 2.623 N/A ASN 315.A ND2 LEU 275.A O no hydrogen 3.381 N/A ASN 317.A N ASN 315.A OD1 no hydrogen 2.956 N/A ARG 319.A NH2 ASP 178.A OD2 no hydrogen 2.512 N/A THR 321.A N ARG 319.A O no hydrogen 2.780 N/A VAL 324.A N ARG 180.A O no hydrogen 2.638 N/A ILE 326.A N VAL 182.A O no hydrogen 2.623 N/A ARG 327.A NH1 SER 305.A OG no hydrogen 2.476 N/A ARG 327.A NH2 ASP 303.A O no hydrogen 3.148 N/A GLY 328.A N GLY 186.A O no hydrogen 2.950 N/A ILE 333.A N ASN 330.A O no hydrogen 3.240 N/A ASP 335.A N ASN 331.A O no hydrogen 3.346 N/A GLU 336.A N MET 332.A O no hydrogen 3.379 N/A THR 337.A N ILE 333.A O no hydrogen 2.944 N/A THR 337.A OG1 ILE 333.A O no hydrogen 2.734 N/A GLU 338.A N ILE 334.A O no hydrogen 3.160 N/A ARG 339.A N ASP 335.A O no hydrogen 3.260 N/A SER 340.A N GLU 336.A O no hydrogen 3.025 N/A SER 340.A OG GLU 336.A O no hydrogen 3.210 N/A SER 340.A OG THR 337.A O no hydrogen 2.719 N/A LEU 341.A N THR 337.A O no hydrogen 2.958 N/A HIS 342.A N GLU 338.A O no hydrogen 3.014 N/A ASP 343.A N ARG 339.A O no hydrogen 3.319 N/A ALA 344.A N SER 340.A O no hydrogen 3.253 N/A LEU 345.A N LEU 341.A O no hydrogen 3.029 N/A CYS 346.A N HIS 342.A O no hydrogen 3.192 N/A CYS 346.A SG HIS 342.A O no hydrogen 3.238 N/A VAL 347.A N ASP 343.A O no hydrogen 3.185 N/A ILE 348.A N ALA 344.A O no hydrogen 3.195 N/A ARG 349.A N LEU 345.A O no hydrogen 2.795 N/A ARG 349.A NH2 ASP 71.A O no hydrogen 3.221 N/A CYS 350.A N CYS 346.A O no hydrogen 3.009 N/A CYS 350.A SG ALA 74.A O no hydrogen 3.218 N/A CYS 350.A SG CYS 346.A O no hydrogen 3.184 N/A VAL 352.A N ILE 348.A O no hydrogen 3.163 N/A LYS 353.A N ARG 349.A O no hydrogen 3.260 N/A GLU 354.A N CYS 350.A O no hydrogen 3.060 N/A LEU 357.A N HIS 125.A O no hydrogen 3.115 N/A ILE 358.A N GLN 436.A O no hydrogen 3.260 N/A ILE 366.A N ALA 363.A O no hydrogen 3.310 N/A ILE 368.A N PRO 364.A O no hydrogen 3.022 N/A SER 369.A N GLU 365.A O no hydrogen 3.416 N/A SER 369.A OG ALA 391.A O no hydrogen 2.827 N/A SER 369.A OG GLU 395.A OE2 no hydrogen 2.960 N/A ARG 370.A N ILE 366.A O no hydrogen 3.182 N/A ARG 370.A NH2 GLU 421.A OE1 no hydrogen 2.491 N/A ARG 371.A N GLU 367.A O no hydrogen 2.895 N/A ARG 371.A NE GLU 367.A OE2 no hydrogen 3.280 N/A LEU 372.A N ILE 368.A O no hydrogen 3.006 N/A LYS 374.A N ARG 370.A O no hydrogen 3.403 N/A GLU 375.A N ARG 371.A O no hydrogen 2.952 N/A SER 378.A N GLU 375.A O no hydrogen 3.195 N/A MET 379.A N ALA 376.A O no hydrogen 3.405 N/A PHE 385.A N VAL 382.A O no hydrogen 3.241 N/A ILE 386.A N GLN 383.A O no hydrogen 3.189 N/A GLU 389.A N PHE 385.A O no hydrogen 3.363 N/A PHE 390.A N ILE 386.A O no hydrogen 2.750 N/A ALA 391.A N TRP 387.A O no hydrogen 3.138 N/A SER 392.A N GLN 388.A O no hydrogen 3.307 N/A SER 392.A OG GLN 388.A O no hydrogen 3.398 N/A ALA 393.A N GLU 389.A O no hydrogen 3.070 N/A LEU 394.A N ALA 391.A O no hydrogen 3.324 N/A GLU 395.A N SER 392.A O no hydrogen 3.422 N/A THR 399.A N GLU 395.A O no hydrogen 3.259 N/A THR 399.A OG1 GLU 395.A O no hydrogen 2.632 N/A THR 400.A N VAL 396.A O no hydrogen 2.948 N/A THR 400.A OG1 VAL 396.A O no hydrogen 2.809 N/A LEU 401.A N ILE 397.A O no hydrogen 3.250 N/A ALA 402.A N PRO 398.A O no hydrogen 3.284 N/A GLU 403.A N THR 399.A O no hydrogen 3.028 N/A ASN 404.A N THR 400.A O no hydrogen 2.858 N/A ASN 404.A ND2 ARG 21.A O no hydrogen 3.142 N/A ASN 404.A ND2 LEU 24.A O no hydrogen 2.852 N/A GLY 406.A N GLU 403.A O no hydrogen 3.367 N/A VAL 412.A N ASN 408.A O no hydrogen 3.256 N/A THR 414.A N ILE 410.A O no hydrogen 3.292 N/A THR 414.A OG1 ILE 410.A O no hydrogen 3.335 N/A THR 414.A OG1 LYS 411.A O no hydrogen 2.629 N/A GLU 415.A N LYS 411.A O no hydrogen 3.244 N/A LEU 416.A N VAL 412.A O no hydrogen 3.167 N/A LEU 416.A N VAL 413.A O no hydrogen 3.195 N/A ARG 417.A N VAL 413.A O no hydrogen 3.440 N/A SER 418.A N THR 414.A O no hydrogen 3.250 N/A SER 418.A OG THR 414.A O no hydrogen 2.989 N/A LYS 419.A N GLU 415.A O no hydrogen 3.219 N/A HIS 420.A N LEU 416.A O no hydrogen 3.107 N/A TYR 430.A N ASN 428.A OD1 no hydrogen 2.768 N/A HIS 433.A N TYR 430.A O no hydrogen 3.337 N/A ILE 434.A N THR 429.A O no hydrogen 2.883 N/A GLN 436.A N ILE 358.A O no hydrogen 3.036 N/A THR 442.A N VAL 438.A O no hydrogen 2.871 N/A THR 442.A OG1 VAL 438.A O no hydrogen 2.794 N/A SER 443.A N LEU 439.A O no hydrogen 2.789 N/A SER 443.A OG LEU 439.A O no hydrogen 2.935 N/A SER 443.A OG VAL 440.A O no hydrogen 3.176 N/A ALA 444.A N VAL 440.A O no hydrogen 2.929 N/A THR 446.A N THR 442.A O no hydrogen 2.994 N/A THR 446.A OG1 THR 442.A O no hydrogen 2.827 N/A LEU 447.A N SER 443.A O no hydrogen 2.834 N/A ALA 448.A N ALA 444.A O no hydrogen 3.285 N/A SER 449.A N ILE 445.A O no hydrogen 3.087 N/A SER 449.A OG THR 446.A O no hydrogen 2.619 N/A GLU 450.A N THR 446.A O no hydrogen 3.317 N/A CYS 451.A N LEU 447.A O no hydrogen 2.885 N/A VAL 452.A N ALA 448.A O no hydrogen 3.005 N/A LYS 453.A N SER 449.A O no hydrogen 3.256 N/A SER 454.A N GLU 450.A O no hydrogen 3.083 N/A SER 454.A OG GLU 450.A O no hydrogen 3.387 N/A SER 454.A OG CYS 451.A O no hydrogen 2.764 N/A ILE 455.A N CYS 451.A O no hydrogen 3.200 N/A ILE 455.A N VAL 452.A O no hydrogen 3.222 N/A LEU 456.A N VAL 452.A O no hydrogen 3.160 N/A ARG 457.A N LYS 453.A O no hydrogen 3.154 N/A ILE 458.A N ILE 455.A O no hydrogen 3.062 N/A ILE 461.A N ASP 460.A OD1 no hydrogen 2.426 N/A