Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kle_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG SER 1.A O no hydrogen 2.587 N/A THR 5.A OG1 ASP 119.A OD1 no hydrogen 3.450 N/A LYS 11.A NZ ARG 81.A O no hydrogen 2.591 N/A LYS 18.A NZ ASP 15.A OD2 no hydrogen 2.998 N/A VAL 19.A N ASN 55.A O no hydrogen 3.335 N/A GLN 21.A NE2 TRP 22.A O no hydrogen 3.154 N/A GLN 21.A NE2 VAL 58.A O no hydrogen 2.882 N/A ILE 29.A N THR 25.A O no hydrogen 2.940 N/A LYS 30.A N GLU 26.A O no hydrogen 3.002 N/A ALA 31.A N GLU 27.A O no hydrogen 2.870 N/A LEU 32.A N LYS 28.A O no hydrogen 2.935 N/A VAL 33.A N ILE 29.A O no hydrogen 2.781 N/A GLU 34.A N LYS 30.A O no hydrogen 3.150 N/A ILE 35.A N ALA 31.A O no hydrogen 2.910 N/A CYS 36.A N LEU 32.A O no hydrogen 3.001 N/A THR 37.A N VAL 33.A O no hydrogen 2.928 N/A THR 37.A OG1 GLU 34.A O no hydrogen 2.628 N/A GLU 38.A N GLU 34.A O no hydrogen 3.279 N/A MET 39.A N ILE 35.A O no hydrogen 3.184 N/A GLU 40.A N CYS 36.A O no hydrogen 2.968 N/A LYS 41.A N THR 37.A O no hydrogen 2.929 N/A LYS 41.A N GLU 38.A O no hydrogen 2.433 N/A LYS 41.A NZ GLU 38.A OE2 no hydrogen 2.836 N/A GLU 42.A N GLU 38.A O no hydrogen 2.654 N/A LYS 44.A N MET 39.A O no hydrogen 2.641 N/A LYS 44.A NZ GLU 42.A OE1 no hydrogen 3.003 N/A ILE 45.A N MET 39.A O no hydrogen 3.255 N/A SER 46.A N GLN 143.A O no hydrogen 3.071 N/A SER 46.A OG ASN 145.A OD1 no hydrogen 2.808 N/A ILE 48.A N ARG 141.A O no hydrogen 2.836 N/A GLY 49.A N GLU 51.A OE2 no hydrogen 2.866 N/A ASN 52.A ND2 LYS 124.A O no hydrogen 2.859 N/A ASN 52.A ND2 GLN 143.A OE1 no hydrogen 3.336 N/A TYR 54.A N ASN 52.A OD1 no hydrogen 2.690 N/A ASN 55.A N PRO 17.A O no hydrogen 2.895 N/A ASN 55.A ND2 VAL 19.A O no hydrogen 3.203 N/A VAL 58.A N GLN 21.A OE1 no hydrogen 3.107 N/A PHE 59.A N LEU 72.A O no hydrogen 2.873 N/A ILE 61.A N ARG 70.A O no hydrogen 3.258 N/A SER 66.A N LYS 63.A O no hydrogen 3.223 N/A SER 66.A OG LYS 64.A O no hydrogen 3.286 N/A ARG 70.A N ILE 61.A O no hydrogen 3.046 N/A ARG 70.A NH1 GLN 149.A OE1 no hydrogen 2.567 N/A LYS 71.A NZ TYR 144.A OH no hydrogen 2.668 N/A LEU 72.A N PHE 59.A O no hydrogen 2.829 N/A ASP 74.A N PRO 57.A O no hydrogen 3.032 N/A ARG 76.A NE ASP 74.A OD1 no hydrogen 2.837 N/A ARG 76.A NH1 PRO 402.A O no hydrogen 2.772 N/A ARG 76.A NH2 ASP 74.A OD2 no hydrogen 2.820 N/A ASN 79.A N PHE 75.A O no hydrogen 2.610 N/A LYS 80.A N ARG 76.A O no hydrogen 3.332 N/A LYS 80.A NZ GLU 77.A OE1 no hydrogen 3.278 N/A LYS 80.A NZ GLU 403.A OE2 no hydrogen 3.549 N/A ARG 81.A N GLU 77.A O no hydrogen 3.414 N/A THR 82.A N LEU 78.A O no hydrogen 2.844 N/A THR 82.A N ASN 79.A O no hydrogen 3.069 N/A THR 82.A OG1 LEU 78.A O no hydrogen 2.583 N/A THR 82.A OG1 ASN 79.A O no hydrogen 3.267 N/A TRP 86.A N THR 82.A O no hydrogen 3.454 N/A TRP 86.A NE1 ASN 79.A O no hydrogen 3.169 N/A GLU 87.A N GLN 83.A O no hydrogen 2.711 N/A VAL 88.A N ASP 84.A O no hydrogen 2.980 N/A GLN 89.A N ASP 84.A O no hydrogen 3.133 N/A GLN 89.A NE2 ASP 84.A OD2 no hydrogen 2.855 N/A LEU 90.A N PHE 85.A O no hydrogen 3.105 N/A HIS 94.A NE2 VAL 371.A O no hydrogen 2.871 N/A LYS 100.A N GLY 97.A O no hydrogen 2.561 N/A LYS 101.A N GLY 97.A O no hydrogen 3.156 N/A LYS 102.A N SER 189.A O no hydrogen 3.249 N/A SER 103.A N SER 189.A O no hydrogen 3.043 N/A SER 103.A OG LYS 102.A O no hydrogen 2.692 N/A SER 103.A OG HIS 225.A ND1 no hydrogen 2.756 N/A VAL 104.A N LEU 224.A O no hydrogen 2.899 N/A THR 105.A N VAL 187.A O no hydrogen 2.667 N/A THR 105.A OG1 HIS 196.A NE2 no hydrogen 3.212 N/A VAL 106.A N TYR 222.A OH no hydrogen 2.959 N/A LEU 107.A N LEU 185.A O no hydrogen 2.893 N/A VAL 109.A N LEU 107.A O no hydrogen 2.925 N/A ALA 112.A N VAL 109.A O no hydrogen 2.932 N/A TYR 113.A N GLY 110.A O no hydrogen 2.937 N/A TYR 113.A OH MET 182.A O no hydrogen 2.875 N/A SER 115.A N ALA 112.A O no hydrogen 2.994 N/A SER 115.A OG ALA 112.A O no hydrogen 2.515 N/A VAL 116.A N TYR 113.A O no hydrogen 3.166 N/A LEU 118.A N ASN 145.A O no hydrogen 2.759 N/A ARG 123.A N GLU 120.A O no hydrogen 3.155 N/A ARG 123.A NE ASP 119.A O no hydrogen 3.084 N/A LYS 124.A NZ ASP 121.A O no hydrogen 2.834 N/A TYR 125.A N PHE 122.A O no hydrogen 3.175 N/A THR 126.A N ARG 123.A O no hydrogen 2.902 N/A THR 126.A OG1 ARG 123.A O no hydrogen 2.653 N/A PHE 128.A N TYR 142.A O no hydrogen 2.817 N/A THR 129.A OG1 ASN 55.A OD1 no hydrogen 2.727 N/A ILE 130.A N ILE 140.A O no hydrogen 2.671 N/A SER 132.A OG THR 137.A O no hydrogen 3.066 N/A ASN 135.A N SER 132.A O no hydrogen 3.102 N/A GLU 136.A N ILE 133.A O no hydrogen 3.105 N/A THR 137.A N SER 132.A OG no hydrogen 3.142 N/A THR 137.A OG1 PRO 138.A O no hydrogen 3.006 N/A ILE 140.A N ILE 130.A O no hydrogen 3.048 N/A ARG 141.A NE GLY 49.A O no hydrogen 2.709 N/A ARG 141.A NH1 TYR 54.A O no hydrogen 3.468 N/A ARG 141.A NH1 ASN 55.A OD1 no hydrogen 2.587 N/A ARG 141.A NH1 THR 129.A OG1 no hydrogen 2.761 N/A ARG 141.A NH2 TYR 54.A O no hydrogen 3.117 N/A TYR 142.A N PHE 128.A O no hydrogen 3.019 N/A GLN 143.A N SER 46.A O no hydrogen 3.062 N/A TYR 144.A N THR 126.A OG1 no hydrogen 2.938 N/A ASN 145.A N LYS 44.A O no hydrogen 2.839 N/A LEU 147.A N VAL 116.A O no hydrogen 3.179 N/A TRP 151.A NE1 THR 82.A OG1 no hydrogen 2.959 N/A LYS 152.A N ASN 79.A OD1 no hydrogen 2.622 N/A SER 154.A N TRP 151.A O no hydrogen 3.176 N/A SER 154.A OG PRO 148.A O no hydrogen 2.898 N/A ILE 157.A N GLY 153.A O no hydrogen 3.168 N/A PHE 158.A N SER 154.A O no hydrogen 3.258 N/A GLN 159.A NE2 GLN 180.A OE1 no hydrogen 3.195 N/A SER 160.A OG ILE 157.A O no hydrogen 3.410 N/A MET 162.A N PHE 158.A O no hydrogen 2.750 N/A THR 163.A N GLN 159.A O no hydrogen 3.050 N/A THR 163.A OG1 GLN 159.A O no hydrogen 2.848 N/A THR 163.A OG1 SER 160.A O no hydrogen 2.737 N/A ILE 165.A N SER 161.A O no hydrogen 3.065 N/A LEU 166.A N MET 162.A O no hydrogen 2.981 N/A LEU 166.A N THR 163.A O no hydrogen 3.000 N/A GLU 167.A N THR 163.A O no hydrogen 2.896 N/A GLU 167.A N LYS 164.A O no hydrogen 3.133 N/A LYS 170.A N LEU 166.A O no hydrogen 2.742 N/A LYS 171.A N GLU 167.A O no hydrogen 2.957 N/A LYS 171.A N PRO 168.A O no hydrogen 2.514 N/A GLN 172.A N PRO 168.A O no hydrogen 3.148 N/A GLN 172.A NE2 ASN 173.A OD1 no hydrogen 2.786 N/A ASN 173.A N PHE 169.A O no hydrogen 3.103 N/A VAL 177.A N GLY 188.A O no hydrogen 2.950 N/A TYR 179.A N TYR 186.A O no hydrogen 2.818 N/A TYR 181.A N ASP 184.A O no hydrogen 3.102 N/A TYR 181.A OH THR 376.A OG1 no hydrogen 2.792 N/A ASP 184.A N TYR 181.A O no hydrogen 3.054 N/A LEU 185.A N LEU 107.A O no hydrogen 3.055 N/A TYR 186.A N TYR 179.A O no hydrogen 2.671 N/A VAL 187.A N THR 105.A O no hydrogen 2.596 N/A GLY 188.A N VAL 177.A O no hydrogen 2.802 N/A SER 189.A N SER 103.A O no hydrogen 2.788 N/A SER 189.A OG HIS 196.A ND1 no hydrogen 2.638 N/A LEU 191.A N SER 189.A OG no hydrogen 3.201 N/A HIS 196.A N GLU 192.A O no hydrogen 2.504 N/A HIS 196.A ND1 SER 189.A OG no hydrogen 2.638 N/A HIS 196.A NE2 THR 105.A OG1 no hydrogen 3.212 N/A ARG 197.A N ILE 193.A O no hydrogen 2.854 N/A ARG 197.A NH2 GLU 223.A OE2 no hydrogen 2.762 N/A THR 198.A N GLY 194.A O no hydrogen 3.221 N/A THR 198.A OG1 GLY 194.A O no hydrogen 2.654 N/A LYS 199.A N GLN 195.A O no hydrogen 2.855 N/A LYS 199.A NZ GLU 202.A OE1 no hydrogen 3.524 N/A ILE 200.A N HIS 196.A O no hydrogen 2.914 N/A GLU 201.A N ARG 197.A O no hydrogen 2.762 N/A GLU 202.A N THR 198.A O no hydrogen 2.773 N/A LEU 203.A N LYS 199.A O no hydrogen 2.920 N/A ARG 204.A N ILE 200.A O no hydrogen 2.747 N/A GLN 205.A N GLU 201.A O no hydrogen 3.157 N/A GLN 205.A NE2 GLU 201.A OE1 no hydrogen 2.975 N/A HIS 206.A N GLU 202.A O no hydrogen 2.724 N/A LEU 207.A N LEU 203.A O no hydrogen 2.921 N/A LEU 208.A N ARG 204.A O no hydrogen 3.079 N/A ARG 209.A N GLN 205.A O no hydrogen 3.184 N/A ARG 209.A NE ARG 209.A O no hydrogen 3.087 N/A TRP 210.A N LEU 207.A O no hydrogen 2.836 N/A GLY 211.A N LEU 208.A O no hydrogen 2.878 N/A LEU 212.A N LEU 207.A O no hydrogen 3.165 N/A LYS 218.A N ASP 65.A O no hydrogen 2.603 N/A LEU 224.A N VAL 104.A O no hydrogen 2.921 N/A HIS 225.A ND1 SER 103.A OG no hydrogen 2.756 N/A ASP 227.A N HIS 225.A O no hydrogen 2.502 N/A LYS 228.A N HIS 225.A O no hydrogen 3.241 N/A GLN 232.A N THR 341.A O no hydrogen 3.061 N/A THR 243.A OG1 ASP 246.A OD1 no hydrogen 2.341 N/A VAL 244.A N GLU 281.A O no hydrogen 3.260 N/A ASN 245.A N LEU 279.A O no hydrogen 3.402 N/A ASP 246.A N THR 243.A OG1 no hydrogen 3.192 N/A ILE 247.A N THR 243.A O no hydrogen 2.975 N/A GLN 248.A N VAL 244.A O no hydrogen 2.823 N/A LYS 249.A N ASN 245.A O no hydrogen 2.932 N/A LEU 250.A N ASP 246.A O no hydrogen 2.736 N/A VAL 251.A N ILE 247.A O no hydrogen 2.785 N/A GLY 252.A N GLN 248.A O no hydrogen 2.777 N/A LYS 253.A N LYS 249.A O no hydrogen 3.079 N/A LYS 253.A NZ VAL 235.A O no hydrogen 3.420 N/A LYS 253.A NZ GLN 418.A O no hydrogen 3.429 N/A LEU 254.A N LEU 250.A O no hydrogen 2.973 N/A ASN 255.A N VAL 251.A O no hydrogen 2.763 N/A TRP 256.A N GLY 252.A O no hydrogen 2.929 N/A ALA 257.A N LYS 253.A O no hydrogen 2.562 N/A SER 258.A N LEU 254.A O no hydrogen 2.815 N/A SER 258.A OG ASN 255.A O no hydrogen 2.323 N/A GLN 259.A N TRP 256.A O no hydrogen 3.008 N/A ILE 260.A N ALA 257.A O no hydrogen 2.622 N/A TYR 261.A N ALA 257.A O no hydrogen 3.126 N/A LYS 265.A N ASN 296.A OD1 no hydrogen 2.949 N/A ARG 267.A NE GLN 268.A OE1 no hydrogen 3.319 N/A GLN 268.A N GLU 292.A OE2 no hydrogen 2.914 N/A LEU 269.A N GLU 292.A OE1 no hydrogen 2.671 N/A SER 270.A N VAL 266.A O no hydrogen 2.923 N/A SER 270.A OG VAL 266.A O no hydrogen 3.352 N/A LYS 271.A N ARG 267.A O no hydrogen 3.329 N/A LEU 272.A N LEU 269.A O no hydrogen 2.879 N/A LEU 273.A N SER 270.A O no hydrogen 2.877 N/A ARG 274.A N LYS 271.A O no hydrogen 2.781 N/A LYS 277.A NZ ARG 274.A O no hydrogen 3.413 N/A LYS 277.A NZ GLY 275.A O no hydrogen 3.306 N/A ILE 283.A N TRP 242.A O no hydrogen 2.717 N/A ALA 289.A N THR 286.A OG1 no hydrogen 3.103 N/A GLU 290.A N THR 286.A O no hydrogen 2.758 N/A LEU 291.A N GLU 287.A O no hydrogen 3.102 N/A GLU 292.A N GLU 288.A O no hydrogen 3.208 N/A LEU 293.A N ALA 289.A O no hydrogen 2.847 N/A ALA 294.A N GLU 290.A O no hydrogen 3.006 N/A GLU 295.A N LEU 291.A O no hydrogen 2.520 N/A ASN 296.A N GLU 292.A O no hydrogen 2.600 N/A ASN 296.A ND2 LYS 265.A O no hydrogen 2.647 N/A ARG 297.A N LEU 293.A O no hydrogen 2.757 N/A ARG 297.A NH2 PRO 237.A O no hydrogen 3.525 N/A GLU 298.A N ALA 294.A O no hydrogen 3.081 N/A GLU 298.A N GLU 295.A O no hydrogen 3.202 N/A ILE 299.A N GLU 295.A O no hydrogen 3.441 N/A LEU 300.A N ASN 296.A O no hydrogen 3.320 N/A LYS 301.A N GLU 298.A O no hydrogen 2.997 N/A ASP 310.A N GLN 333.A OE1 no hydrogen 2.747 N/A SER 312.A N ASP 310.A OD1 no hydrogen 2.917 N/A SER 312.A OG ASP 310.A OD1 no hydrogen 3.139 N/A SER 312.A OG ASP 310.A OD2 no hydrogen 2.941 N/A LYS 313.A N ASP 310.A O no hydrogen 2.978 N/A LYS 313.A NZ GLU 334.A OE2 no hydrogen 2.872 N/A ILE 316.A N TYR 332.A O no hydrogen 2.915 N/A ALA 317.A N LYS 378.A O no hydrogen 2.779 N/A GLU 318.A N GLN 330.A O no hydrogen 2.855 N/A GLN 320.A N THR 328.A O no hydrogen 2.602 N/A LYS 321.A NZ ASP 354.A OD1 no hydrogen 3.331 N/A LYS 321.A NZ ASP 354.A OD2 no hydrogen 2.537 N/A GLN 322.A N GLN 326.A O no hydrogen 3.231 N/A GLN 322.A NE2 THR 328.A OG1 no hydrogen 3.255 N/A GLN 326.A N GLY 323.A O no hydrogen 2.983 N/A TRP 327.A N TYR 344.A O no hydrogen 2.938 N/A TRP 327.A NE1 GLN 357.A OE1 no hydrogen 2.808 N/A THR 328.A N GLN 320.A O no hydrogen 3.132 N/A THR 328.A OG1 GLN 320.A OE1 no hydrogen 3.371 N/A TYR 329.A N GLY 342.A O no hydrogen 3.291 N/A TYR 329.A OH GLU 368.A OE1 no hydrogen 2.468 N/A GLN 330.A N GLU 318.A O no hydrogen 2.883 N/A GLN 330.A NE2 GLN 320.A OE1 no hydrogen 2.661 N/A ILE 331.A N LYS 340.A O no hydrogen 3.092 N/A TYR 332.A N ILE 316.A O no hydrogen 2.948 N/A TYR 332.A OH GLU 318.A OE2 no hydrogen 2.522 N/A GLN 333.A NE2 ASP 310.A O no hydrogen 2.862 N/A GLN 333.A NE2 LYS 313.A O no hydrogen 3.475 N/A GLN 333.A NE2 ASP 314.A O no hydrogen 3.273 N/A LYS 337.A N GLU 334.A O no hydrogen 3.038 N/A LEU 339.A N ILE 331.A O no hydrogen 2.624 N/A LYS 340.A N ILE 331.A O no hydrogen 3.338 N/A THR 341.A OG1 GLN 232.A O no hydrogen 3.365 N/A GLY 342.A N TYR 329.A O no hydrogen 3.335 N/A TYR 344.A N TRP 327.A O no hydrogen 2.909 N/A TYR 344.A OH GLU 360.A OE1 no hydrogen 2.994 N/A THR 352.A OG1 THR 352.A O no hydrogen 2.541 N/A LYS 356.A N ASN 353.A OD1 no hydrogen 3.283 N/A GLN 357.A N ASN 353.A O no hydrogen 3.124 N/A LEU 358.A N ASP 354.A O no hydrogen 3.437 N/A THR 359.A N VAL 355.A O no hydrogen 3.068 N/A THR 359.A OG1 VAL 355.A O no hydrogen 3.435 N/A GLU 360.A N LYS 356.A O no hydrogen 2.711 N/A ALA 361.A N GLN 357.A O no hydrogen 2.557 N/A VAL 362.A N LEU 358.A O no hydrogen 2.558 N/A GLN 363.A N THR 359.A O no hydrogen 3.206 N/A GLN 363.A NE2 THR 359.A O no hydrogen 3.265 N/A LYS 364.A N GLU 360.A O no hydrogen 2.933 N/A ILE 365.A N ALA 361.A O no hydrogen 2.918 N/A THR 366.A N VAL 362.A O no hydrogen 2.979 N/A THR 366.A OG1 VAL 362.A O no hydrogen 2.542 N/A THR 367.A N GLN 363.A O no hydrogen 3.097 N/A THR 367.A OG1 LYS 364.A O no hydrogen 2.918 N/A GLU 368.A N LYS 364.A O no hydrogen 3.323 N/A SER 369.A N ILE 365.A O no hydrogen 3.150 N/A SER 369.A OG ILE 365.A O no hydrogen 2.723 N/A ILE 370.A N THR 366.A O no hydrogen 2.826 N/A VAL 371.A N THR 367.A O no hydrogen 2.656 N/A ILE 372.A N GLU 368.A O no hydrogen 2.950 N/A TRP 373.A N SER 369.A O no hydrogen 2.687 N/A GLY 374.A N SER 369.A O no hydrogen 3.080 N/A GLY 374.A N ILE 370.A O no hydrogen 2.621 N/A LYS 375.A NZ LYS 313.A O no hydrogen 3.491 N/A THR 376.A OG1 TYR 181.A OH no hydrogen 2.792 N/A LYS 378.A N LEU 315.A O no hydrogen 2.454 N/A LYS 378.A NZ GLU 405.A OE1 no hydrogen 3.148 N/A PHE 379.A N GLU 403.A O no hydrogen 3.148 N/A LYS 380.A N ALA 317.A O no hydrogen 2.901 N/A LYS 380.A NZ GLU 405.A OE2 no hydrogen 2.546 N/A LEU 381.A N GLU 405.A O no hydrogen 2.611 N/A ILE 383.A N LEU 381.A O no hydrogen 3.019 N/A TRP 388.A N GLN 384.A O no hydrogen 3.129 N/A GLU 389.A N LYS 385.A O no hydrogen 2.748 N/A THR 390.A N THR 387.A O no hydrogen 3.254 N/A THR 390.A OG1 GLU 386.A O no hydrogen 2.857 N/A TRP 391.A N TRP 388.A O no hydrogen 2.941 N/A TRP 392.A N TRP 388.A O no hydrogen 3.024 N/A TYR 395.A N TRP 392.A O no hydrogen 3.210 N/A TRP 396.A NE1 TRP 400.A O no hydrogen 3.088 N/A GLN 397.A N GLN 363.A OE1 no hydrogen 3.296 N/A GLN 397.A NE2 LYS 62.A O no hydrogen 3.279 N/A VAL 407.A N LEU 381.A O no hydrogen 3.166 N/A LYS 414.A N PRO 411.A O no hydrogen 2.443 N/A HIS 424.A N ASP 240.A OD1 no hydrogen 3.275 N/A HIS 424.A N ASP 240.A OD2 no hydrogen 3.131 N/A