Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xth_AK.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASP 3.A O no hydrogen 2.616 N/A GLU 5.A N SER 17.A O no hydrogen 2.960 N/A THR 7.A N ILE 15.A O no hydrogen 2.850 N/A THR 7.A OG1 GLU 5.A O no hydrogen 3.475 N/A THR 7.A OG1 PHE 6.A O no hydrogen 2.665 N/A THR 7.A OG1 HIS 193.A NE2 no hydrogen 2.859 N/A GLY 12.A N LEU 9.A O no hydrogen 2.738 N/A ILE 15.A N THR 7.A O no hydrogen 2.753 N/A ALA 16.A N LEU 186.A O no hydrogen 2.909 N/A SER 17.A OG VAL 191.A O no hydrogen 2.833 N/A LEU 18.A N GLY 188.A O no hydrogen 3.368 N/A SER 25.A OG CYS 91.A O no hydrogen 3.047 N/A SER 25.A OG LEU 92.A O no hydrogen 3.503 N/A ILE 27.A N VAL 89.A O no hydrogen 2.966 N/A GLY 28.A N ILE 187.A O no hydrogen 2.889 N/A LEU 29.A N TYR 87.A O no hydrogen 2.885 N/A PHE 30.A N ALA 185.A O no hydrogen 2.889 N/A ILE 31.A N MET 85.A O no hydrogen 2.886 N/A LYS 32.A N ARG 183.A O no hydrogen 3.254 N/A TYR 37.A N GLY 34.A O no hydrogen 3.478 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.776 N/A SER 41.A OG ASP 39.A OD1 no hydrogen 2.523 N/A SER 41.A OG ASP 39.A OD2 no hydrogen 2.958 N/A THR 46.A N GLU 38.A OE2 no hydrogen 3.315 N/A THR 46.A OG1 GLU 38.A OE2 no hydrogen 3.219 N/A LEU 48.A N GLY 44.A O no hydrogen 3.360 N/A LEU 49.A N THR 45.A O no hydrogen 2.897 N/A ARG 50.A N THR 46.A O no hydrogen 2.928 N/A ARG 50.A NE HIS 47.A ND1 no hydrogen 3.407 N/A ARG 50.A NH2 HIS 47.A ND1 no hydrogen 2.921 N/A THR 52.A OG1 LEU 48.A O no hydrogen 3.542 N/A THR 52.A OG1 LEU 49.A O no hydrogen 2.590 N/A SER 53.A OG ARG 50.A O no hydrogen 3.350 N/A LEU 55.A N THR 52.A O no hydrogen 3.001 N/A THR 56.A OG1 THR 57.A O no hydrogen 3.339 N/A THR 56.A OG1 ALA 60.A O no hydrogen 2.564 N/A THR 57.A N ALA 60.A O no hydrogen 2.821 N/A THR 57.A OG1 ASN 105.A OD1 no hydrogen 2.816 N/A LYS 58.A N ALA 109.A O no hydrogen 3.406 N/A ALA 60.A N THR 57.A O no hydrogen 3.438 N/A SER 62.A OG SER 54.A O no hydrogen 2.698 N/A PHE 63.A N SER 61.A OG no hydrogen 3.363 N/A ILE 65.A N SER 61.A O no hydrogen 2.918 N/A THR 66.A N SER 62.A O no hydrogen 2.916 N/A THR 66.A OG1 SER 62.A O no hydrogen 3.095 N/A ARG 67.A N PHE 63.A O no hydrogen 2.924 N/A GLY 68.A N LYS 64.A O no hydrogen 2.900 N/A ILE 69.A N ILE 65.A O no hydrogen 2.920 N/A GLU 70.A N THR 66.A O no hydrogen 2.937 N/A ALA 71.A N ARG 67.A O no hydrogen 2.898 N/A VAL 72.A N GLY 68.A O no hydrogen 2.943 N/A GLY 73.A N ILE 69.A O no hydrogen 3.083 N/A GLY 73.A N GLU 70.A O no hydrogen 3.002 N/A LYS 75.A N GLU 90.A O no hydrogen 2.943 N/A LYS 75.A NZ GLU 90.A OE1 no hydrogen 2.673 N/A SER 77.A N THR 88.A O no hydrogen 2.885 N/A THR 81.A N ASN 84.A O no hydrogen 2.822 N/A MET 85.A N ILE 31.A O no hydrogen 2.902 N/A ALA 86.A N THR 79.A O no hydrogen 2.885 N/A TYR 87.A N LEU 29.A O no hydrogen 2.928 N/A THR 88.A N SER 77.A O no hydrogen 2.904 N/A VAL 89.A N ILE 27.A O no hydrogen 2.882 N/A GLU 90.A N LYS 75.A O no hydrogen 2.904 N/A CYS 91.A N SER 25.A O no hydrogen 2.918 N/A CYS 91.A SG SER 25.A O no hydrogen 4.035 N/A CYS 91.A SG SER 25.A OG no hydrogen 3.041 N/A CYS 91.A SG LEU 92.A O no hydrogen 3.604 N/A ARG 93.A N PRO 23.A O no hydrogen 3.266 N/A ARG 93.A NE SER 22.A O no hydrogen 2.770 N/A ARG 93.A NH1 GLU 19.A OE2 no hydrogen 3.560 N/A ARG 93.A NH1 GLY 190.A O no hydrogen 2.491 N/A ARG 93.A NH2 SER 22.A O no hydrogen 2.875 N/A ASP 95.A N LEU 92.A O no hydrogen 2.941 N/A ILE 98.A N ASP 95.A O no hydrogen 2.959 N/A LEU 99.A N ASP 95.A O no hydrogen 3.319 N/A MET 100.A N VAL 96.A O no hydrogen 2.942 N/A GLU 101.A N ILE 98.A O no hydrogen 2.924 N/A PHE 102.A N LEU 99.A O no hydrogen 2.933 N/A LEU 103.A N LEU 99.A O no hydrogen 2.850 N/A LEU 104.A N MET 100.A O no hydrogen 3.079 N/A VAL 106.A N PHE 102.A O no hydrogen 2.830 N/A THR 107.A N LEU 103.A O no hydrogen 3.304 N/A THR 107.A N LEU 104.A O no hydrogen 2.937 N/A THR 108.A N ASN 105.A O no hydrogen 2.990 N/A THR 108.A OG1 LEU 104.A O no hydrogen 2.807 N/A THR 108.A OG1 ASN 105.A O no hydrogen 3.166 N/A ALA 109.A N ASN 105.A O no hydrogen 3.334 N/A ARG 113.A N GLU 111.A O no hydrogen 2.852 N/A ARG 113.A NH2 GLU 111.A OE1 no hydrogen 3.554 N/A VAL 117.A N ARG 113.A O no hydrogen 3.059 N/A ALA 118.A N ARG 114.A O no hydrogen 2.935 N/A ASP 119.A N TRP 115.A O no hydrogen 2.914 N/A LEU 120.A N GLU 116.A O no hydrogen 2.925 N/A LEU 120.A N VAL 117.A O no hydrogen 2.955 N/A GLN 121.A N VAL 117.A O no hydrogen 2.950 N/A GLN 123.A N LEU 120.A O no hydrogen 3.154 N/A GLN 123.A NE2 GLN 123.A O no hydrogen 3.332 N/A LEU 124.A N GLN 121.A O no hydrogen 3.016 N/A LYS 125.A N PRO 122.A O no hydrogen 3.127 N/A ASP 127.A N GLN 123.A O no hydrogen 2.957 N/A LYS 128.A N LEU 124.A O no hydrogen 2.915 N/A LYS 128.A NZ CYS 158.A O no hydrogen 3.341 N/A ALA 129.A N LYS 125.A O no hydrogen 2.922 N/A VAL 130.A N ILE 126.A O no hydrogen 2.920 N/A ALA 131.A N ASP 127.A O no hydrogen 2.936 N/A PHE 132.A N LYS 128.A O no hydrogen 3.299 N/A PHE 132.A N ALA 129.A O no hydrogen 3.130 N/A GLN 133.A N VAL 130.A O no hydrogen 3.229 N/A GLN 133.A NE2 GLN 133.A O no hydrogen 3.593 N/A GLN 136.A N GLN 136.A OE1 no hydrogen 2.658 N/A THR 137.A N ASN 134.A O no hydrogen 3.292 N/A THR 137.A OG1 ALA 131.A O no hydrogen 2.908 N/A THR 137.A OG1 ASN 134.A O no hydrogen 2.674 N/A VAL 139.A N PRO 135.A O no hydrogen 2.906 N/A VAL 139.A N GLN 136.A O no hydrogen 3.049 N/A ILE 140.A N GLN 136.A O no hydrogen 2.906 N/A GLU 141.A N THR 137.A O no hydrogen 2.949 N/A ASN 142.A ND2 HIS 138.A O no hydrogen 3.542 N/A LEU 143.A N VAL 139.A O no hydrogen 2.880 N/A HIS 144.A N ILE 140.A O no hydrogen 2.975 N/A ALA 146.A N ASN 142.A O no hydrogen 2.929 N/A ALA 147.A N HIS 144.A O no hydrogen 2.934 N/A TYR 148.A N HIS 144.A O no hydrogen 3.073 N/A ARG 149.A N ASN 218.A O no hydrogen 2.689 N/A ALA 153.A N ASN 150.A O no hydrogen 3.309 N/A ASN 154.A N ALA 151.A O no hydrogen 3.486 N/A ASN 154.A ND2 GLU 38.A O no hydrogen 2.755 N/A ARG 162.A N PRO 159.A O no hydrogen 2.985 N/A ILE 163.A N ASP 160.A O no hydrogen 3.367 N/A LYS 165.A N ARG 162.A O no hydrogen 3.242 N/A LYS 165.A NZ TYR 161.A O no hydrogen 2.304 N/A GLU 170.A N THR 167.A O no hydrogen 3.192 N/A LEU 171.A N THR 167.A O no hydrogen 3.406 N/A HIS 172.A N SER 168.A O no hydrogen 2.910 N/A TYR 173.A N GLU 169.A O no hydrogen 2.935 N/A PHE 174.A N GLU 170.A O no hydrogen 2.937 N/A VAL 175.A N LEU 171.A O no hydrogen 2.906 N/A GLN 176.A N HIS 172.A O no hydrogen 2.929 N/A ASN 177.A N TYR 173.A O no hydrogen 2.981 N/A ASN 177.A ND2 TYR 173.A O no hydrogen 2.401 N/A HIS 178.A N VAL 175.A O no hydrogen 3.402 N/A PHE 179.A N VAL 175.A O no hydrogen 2.962 N/A THR 180.A OG1 LEU 210.A O no hydrogen 3.309 N/A SER 181.A OG ASN 11.A OD1 no hydrogen 3.449 N/A SER 181.A OG ARG 207.A O no hydrogen 3.294 N/A ARG 183.A N THR 180.A O no hydrogen 3.012 N/A ARG 183.A NH1 TYR 37.A OH no hydrogen 3.503 N/A MET 184.A N SER 181.A O no hydrogen 3.283 N/A ALA 185.A N PHE 30.A O no hydrogen 2.923 N/A LEU 186.A N VAL 14.A O no hydrogen 2.914 N/A ILE 187.A N GLY 28.A O no hydrogen 2.898 N/A GLY 188.A N ALA 16.A O no hydrogen 3.217 N/A HIS 193.A NE2 THR 7.A OG1 no hydrogen 2.859 N/A LEU 196.A N SER 192.A O no hydrogen 3.349 N/A LYS 197.A N HIS 193.A O no hydrogen 2.966 N/A LYS 197.A N PRO 194.A O no hydrogen 3.235 N/A GLN 198.A N VAL 195.A O no hydrogen 3.167 N/A GLN 198.A NE2 GLN 198.A O no hydrogen 3.383 N/A VAL 199.A N VAL 195.A O no hydrogen 2.890 N/A ALA 200.A N LEU 196.A O no hydrogen 2.940 N/A GLU 201.A N GLN 198.A O no hydrogen 3.051 N/A GLN 202.A NE2 GLU 101.A OE1 no hydrogen 3.559 N/A PHE 203.A N ALA 200.A O no hydrogen 3.335 N/A LEU 204.A N GLU 201.A O no hydrogen 3.200 N/A SER 213.A OG LEU 212.A O no hydrogen 2.569 N/A TYR 219.A OH VAL 238.A O no hydrogen 3.389 N/A TYR 219.A OH GLN 401.A O no hydrogen 3.041 N/A ARG 220.A N ALA 147.A O no hydrogen 2.413 N/A ARG 220.A NH1 ALA 145.A O no hydrogen 3.526 N/A ILE 224.A N MET 404.A O no hydrogen 3.250 N/A ARG 225.A NH2 GLU 223.A OE1 no hydrogen 3.132 N/A GLN 227.A NE2 ASN 228.A O no hydrogen 3.655 N/A GLN 227.A NE2 ASN 409.A O no hydrogen 2.757 N/A GLN 227.A NE2 ASN 409.A OD1 no hydrogen 3.485 N/A ASN 228.A N GLY 408.A O no hydrogen 2.674 N/A LEU 232.A N ASP 230.A OD1 no hydrogen 3.093 N/A HIS 234.A N SER 407.A O no hydrogen 2.879 N/A ALA 235.A N THR 306.A O no hydrogen 2.912 N/A VAL 238.A N SER 403.A O no hydrogen 2.900 N/A ALA 239.A N PHE 302.A O no hydrogen 2.868 N/A SER 241.A N GLY 300.A O no hydrogen 2.919 N/A ALA 249.A N SER 246.A O no hydrogen 3.127 N/A ALA 249.A N SER 246.A OG no hydrogen 3.212 N/A ALA 251.A N ALA 247.A O no hydrogen 2.925 N/A PHE 252.A N GLU 248.A O no hydrogen 2.925 N/A SER 253.A N ALA 249.A O no hydrogen 2.925 N/A SER 253.A OG ALA 249.A O no hydrogen 2.867 N/A VAL 254.A N ASN 250.A O no hydrogen 2.930 N/A LEU 255.A N ALA 251.A O no hydrogen 2.897 N/A GLN 256.A N PHE 252.A O no hydrogen 2.897 N/A GLN 256.A NE2 HIS 257.A NE2 no hydrogen 3.158 N/A HIS 257.A N SER 253.A O no hydrogen 3.010 N/A VAL 258.A N VAL 254.A O no hydrogen 2.891 N/A LEU 259.A N GLN 256.A O no hydrogen 2.966 N/A ALA 261.A N GLN 256.A O no hydrogen 3.221 N/A SER 273.A N ASN 270.A O no hydrogen 3.013 N/A SER 273.A N ASN 270.A OD1 no hydrogen 3.259 N/A SER 273.A OG LEU 259.A O no hydrogen 3.034 N/A HIS 274.A NE2 ASP 336.A OD2 no hydrogen 2.909 N/A ALA 278.A N HIS 274.A O no hydrogen 2.906 N/A VAL 279.A N LEU 275.A O no hydrogen 2.927 N/A ALA 280.A N HIS 276.A O no hydrogen 2.899 N/A ALA 282.A N VAL 279.A O no hydrogen 2.862 N/A THR 283.A N VAL 279.A O no hydrogen 2.805 N/A THR 283.A OG1 VAL 279.A O no hydrogen 3.390 N/A ASP 288.A N ILE 307.A O no hydrogen 2.887 N/A SER 290.A N TYR 305.A O no hydrogen 2.921 N/A ALA 294.A N LEU 301.A O no hydrogen 2.902 N/A SER 299.A OG GLU 240.A OE2 no hydrogen 3.009 N/A SER 299.A OG GLY 300.A O no hydrogen 3.517 N/A GLY 300.A N SER 241.A O no hydrogen 2.921 N/A LEU 301.A N ALA 294.A O no hydrogen 2.947 N/A PHE 302.A N ALA 239.A O no hydrogen 2.937 N/A GLY 303.A N PHE 292.A O no hydrogen 2.895 N/A TYR 305.A N SER 290.A O no hydrogen 2.857 N/A THR 306.A N ALA 235.A O no hydrogen 2.900 N/A ILE 307.A N ASP 288.A O no hydrogen 2.907 N/A SER 308.A N VAL 233.A O no hydrogen 2.940 N/A ALA 312.A N GLN 309.A O no hydrogen 2.993 N/A ASP 315.A N ALA 312.A O no hydrogen 3.092 N/A VAL 316.A N ALA 312.A O no hydrogen 2.996 N/A ILE 317.A N ALA 313.A O no hydrogen 2.943 N/A ALA 319.A N ASP 315.A O no hydrogen 2.930 N/A ALA 320.A N VAL 316.A O no hydrogen 2.909 N/A TYR 321.A N ILE 317.A O no hydrogen 2.925 N/A ASN 322.A N LYS 318.A O no hydrogen 2.906 N/A GLN 323.A N ALA 319.A O no hydrogen 2.939 N/A LYS 325.A N TYR 321.A O no hydrogen 2.929 N/A THR 326.A N ASN 322.A O no hydrogen 2.928 N/A THR 326.A OG1 GLN 323.A O no hydrogen 2.692 N/A ALA 328.A N VAL 324.A O no hydrogen 2.907 N/A GLN 329.A N THR 326.A O no hydrogen 3.185 N/A GLY 330.A N ILE 327.A O no hydrogen 2.912 N/A ASN 331.A N THR 326.A O no hydrogen 3.348 N/A GLN 338.A NE2 GLN 338.A O no hydrogen 3.458 N/A ALA 339.A N THR 335.A O no hydrogen 2.936 N/A ALA 340.A N ASP 336.A O no hydrogen 2.891 N/A LYS 341.A N VAL 337.A O no hydrogen 2.916 N/A LYS 341.A NZ ILE 382.A O no hydrogen 2.302 N/A ASN 342.A N GLN 338.A O no hydrogen 2.957 N/A LYS 343.A N ALA 339.A O no hydrogen 2.921 N/A LEU 344.A N ALA 340.A O no hydrogen 2.903 N/A LYS 345.A N LYS 341.A O no hydrogen 2.971 N/A ALA 346.A N ASN 342.A O no hydrogen 2.948 N/A GLY 347.A N LYS 343.A O no hydrogen 2.888 N/A TYR 348.A N LEU 344.A O no hydrogen 2.911 N/A LEU 349.A N LYS 345.A O no hydrogen 2.977 N/A MET 350.A N ALA 346.A O no hydrogen 2.925 N/A SER 351.A N GLY 347.A O no hydrogen 2.927 N/A SER 351.A OG TYR 348.A O no hydrogen 2.645 N/A VAL 352.A N TYR 348.A O no hydrogen 2.942 N/A CYS 357.A SG GLU 356.A OE1 no hydrogen 3.736 N/A PHE 358.A N SER 354.A O no hydrogen 2.797 N/A LEU 359.A N SER 355.A O no hydrogen 2.908 N/A GLU 360.A N GLU 356.A O no hydrogen 2.953 N/A GLU 361.A N CYS 357.A O no hydrogen 2.880 N/A VAL 362.A N PHE 358.A O no hydrogen 2.895 N/A GLY 363.A N LEU 359.A O no hydrogen 2.961 N/A SER 364.A N GLU 360.A O no hydrogen 2.934 N/A SER 364.A OG GLU 360.A O no hydrogen 2.875 N/A GLN 365.A N GLU 361.A O no hydrogen 2.939 N/A ALA 366.A N VAL 362.A O no hydrogen 2.885 N/A LEU 367.A N GLY 363.A O no hydrogen 2.973 N/A ALA 369.A N GLN 365.A O no hydrogen 3.055 N/A GLY 370.A N ALA 366.A O no hydrogen 3.227 N/A THR 377.A N PRO 374.A O no hydrogen 2.851 N/A VAL 378.A N PRO 374.A O no hydrogen 3.278 N/A LEU 379.A N PRO 375.A O no hydrogen 2.901 N/A GLN 380.A N SER 376.A O no hydrogen 2.947 N/A GLN 381.A N THR 377.A O no hydrogen 3.477 N/A ILE 382.A N VAL 378.A O no hydrogen 2.893 N/A ASP 383.A N LEU 379.A O no hydrogen 2.909 N/A SER 384.A N GLN 381.A O no hydrogen 3.225 N/A ILE 391.A N ASN 387.A O no hydrogen 2.932 N/A ASN 392.A N ALA 388.A O no hydrogen 2.896 N/A ASN 392.A ND2 ALA 388.A O no hydrogen 2.309 N/A ALA 393.A N ASP 389.A O no hydrogen 2.912 N/A ALA 394.A N ILE 390.A O no hydrogen 2.929 N/A LYS 395.A N ILE 391.A O no hydrogen 2.913 N/A LYS 395.A NZ ALA 328.A O no hydrogen 2.883 N/A LYS 396.A N ASN 392.A O no hydrogen 2.908 N/A LYS 396.A NZ GLU 248.A OE2 no hydrogen 3.154 N/A PHE 397.A N ALA 393.A O no hydrogen 2.924 N/A VAL 398.A N ALA 394.A O no hydrogen 2.932 N/A SER 399.A N LYS 395.A O no hydrogen 2.906 N/A SER 399.A OG LYS 395.A O no hydrogen 2.802 N/A GLY 400.A N LYS 396.A O no hydrogen 3.170 N/A LYS 402.A NZ PHE 397.A O no hydrogen 2.667 N/A LYS 402.A NZ GLY 400.A O no hydrogen 2.838 N/A SER 403.A N VAL 238.A O no hydrogen 2.906 N/A SER 403.A OG ALA 146.A O no hydrogen 3.394 N/A SER 403.A OG TYR 219.A OH no hydrogen 2.737 N/A SER 403.A OG ARG 220.A O no hydrogen 2.513 N/A SER 407.A OG GLU 226.A OE1 no hydrogen 2.310 N/A VAL 416.A N GLU 223.A OE2 no hydrogen 1.924 N/A GLU 418.A N PHE 415.A O no hydrogen 2.895 N/A