Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ldk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A NE2 ASP 9.A OD2 no hydrogen 3.170 N/A ILE 6.A N LEU 3.A O no hydrogen 2.668 N/A TRP 7.A N LEU 3.A O no hydrogen 2.604 N/A LEU 10.A N ILE 6.A O no hydrogen 3.244 N/A LEU 10.A N TRP 7.A O no hydrogen 2.444 N/A ARG 11.A N TRP 7.A O no hydrogen 2.626 N/A ALA 12.A N ASP 8.A O no hydrogen 2.929 N/A ILE 14.A N LEU 10.A O no hydrogen 2.719 N/A GLN 15.A N ARG 11.A O no hydrogen 2.813 N/A GLN 16.A N ALA 12.A O no hydrogen 2.560 N/A VAL 17.A N GLY 13.A O no hydrogen 2.759 N/A TYR 18.A N GLN 15.A O no hydrogen 2.536 N/A TYR 18.A OH SER 90.A OG no hydrogen 2.912 N/A THR 19.A N GLN 16.A O no hydrogen 2.946 N/A THR 19.A OG1 GLN 15.A O no hydrogen 3.052 N/A THR 19.A OG1 GLN 16.A O no hydrogen 3.361 N/A SER 22.A OG ARG 20.A O no hydrogen 3.221 N/A ARG 27.A N ALA 24.A O no hydrogen 2.546 N/A ARG 27.A NH1 ASP 9.A O no hydrogen 3.372 N/A LEU 31.A N ARG 27.A O no hydrogen 2.532 N/A TYR 32.A N TYR 28.A O no hydrogen 2.585 N/A THR 33.A N MET 29.A O no hydrogen 2.641 N/A THR 33.A OG1 MET 29.A O no hydrogen 2.685 N/A HIS 34.A N GLU 30.A O no hydrogen 3.215 N/A VAL 35.A N LEU 31.A O no hydrogen 3.332 N/A TYR 36.A N TYR 32.A O no hydrogen 3.082 N/A ASN 37.A N THR 33.A O no hydrogen 2.446 N/A TYR 38.A N HIS 34.A O no hydrogen 2.736 N/A CYS 39.A N VAL 35.A O no hydrogen 2.813 N/A CYS 39.A SG VAL 35.A O no hydrogen 3.632 N/A THR 40.A N TYR 38.A O no hydrogen 2.734 N/A THR 40.A OG1 TYR 36.A O no hydrogen 2.959 N/A THR 40.A OG1 CYS 39.A O no hydrogen 2.575 N/A SER 41.A OG TYR 38.A O no hydrogen 3.490 N/A SER 41.A OG THR 40.A O no hydrogen 2.321 N/A GLN 42.A NE2 GLN 42.A O no hydrogen 2.886 N/A TYR 49.A N GLY 45.A O no hydrogen 2.903 N/A LYS 50.A N LEU 46.A O no hydrogen 2.650 N/A ARG 51.A N GLU 47.A O no hydrogen 2.704 N/A LEU 52.A N LEU 48.A O no hydrogen 2.868 N/A LYS 53.A N TYR 49.A O no hydrogen 3.105 N/A GLU 54.A N LYS 50.A O no hydrogen 3.419 N/A PHE 55.A N ARG 51.A O no hydrogen 3.116 N/A LEU 56.A N LEU 52.A O no hydrogen 3.067 N/A LYS 57.A N LYS 53.A O no hydrogen 2.853 N/A ASN 58.A N GLU 54.A O no hydrogen 2.649 N/A TYR 59.A N PHE 55.A O no hydrogen 3.250 N/A TYR 59.A OH TYR 18.A O no hydrogen 3.323 N/A LEU 60.A N LEU 56.A O no hydrogen 2.867 N/A THR 61.A N LYS 57.A O no hydrogen 2.748 N/A THR 61.A OG1 LYS 57.A O no hydrogen 2.748 N/A THR 61.A OG1 ASN 58.A O no hydrogen 2.715 N/A ASN 62.A N TYR 59.A O no hydrogen 3.168 N/A GLY 67.A N LEU 64.A O no hydrogen 2.540 N/A GLU 68.A N LEU 64.A O no hydrogen 2.585 N/A LEU 70.A N GLY 67.A O no hydrogen 2.839 N/A VAL 75.A N MET 71.A O no hydrogen 2.399 N/A LYS 77.A N GLU 73.A O no hydrogen 3.446 N/A PHE 78.A N SER 74.A O no hydrogen 3.275 N/A TYR 79.A N VAL 75.A O no hydrogen 2.848 N/A TYR 79.A N LEU 76.A O no hydrogen 2.768 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.510 N/A THR 80.A OG1 LYS 77.A O no hydrogen 3.043 N/A GLN 81.A N LYS 77.A O no hydrogen 2.852 N/A GLN 82.A N PHE 78.A O no hydrogen 3.049 N/A TRP 83.A N TYR 79.A O no hydrogen 2.656 N/A GLU 84.A N THR 80.A O no hydrogen 3.035 N/A ASP 85.A N GLN 81.A O no hydrogen 3.038 N/A TYR 86.A N TRP 83.A O no hydrogen 2.834 N/A TYR 86.A OH ALA 119.A O no hydrogen 3.264 N/A ARG 87.A N TRP 83.A O no hydrogen 2.801 N/A ARG 87.A N GLU 84.A O no hydrogen 3.059 N/A ARG 87.A NE GLU 166.A OE1 no hydrogen 2.490 N/A ARG 87.A NE GLU 166.A OE2 no hydrogen 3.208 N/A PHE 88.A N GLU 84.A O no hydrogen 3.125 N/A SER 89.A OG VAL 17.A O no hydrogen 2.615 N/A SER 90.A N TYR 86.A O no hydrogen 2.565 N/A SER 90.A OG TYR 18.A OH no hydrogen 2.912 N/A SER 90.A OG TYR 86.A O no hydrogen 2.239 N/A LYS 91.A N ARG 87.A O no hydrogen 2.786 N/A VAL 92.A N PHE 88.A O no hydrogen 3.071 N/A LEU 93.A N SER 90.A O no hydrogen 2.999 N/A ASN 94.A N SER 90.A O no hydrogen 3.321 N/A ASN 94.A N LYS 91.A O no hydrogen 2.576 N/A CYS 97.A N ASN 94.A O no hydrogen 2.950 N/A ALA 98.A N GLY 95.A O no hydrogen 2.531 N/A TYR 99.A OH CYS 39.A O no hydrogen 3.424 N/A LEU 100.A N CYS 97.A O no hydrogen 2.772 N/A ASN 101.A N ALA 98.A O no hydrogen 2.688 N/A ARG 107.A N HIS 103.A O no hydrogen 3.231 N/A ARG 107.A NH1 GLN 42.A OE1 no hydrogen 3.253 N/A CYS 109.A SG ARG 106.A O no hydrogen 3.805 N/A CYS 109.A SG GLU 108.A OE1 no hydrogen 3.767 N/A CYS 109.A SG GLU 108.A OE2 no hydrogen 3.778 N/A TYR 113.A N TYR 49.A OH no hydrogen 3.260 N/A TYR 116.A N ASN 94.A OD1 no hydrogen 2.726 N/A TYR 116.A OH GLU 166.A OE2 no hydrogen 2.225 N/A ALA 119.A N ILE 115.A O no hydrogen 2.888 N/A LEU 120.A N TYR 116.A O no hydrogen 3.231 N/A VAL 121.A N SER 117.A O no hydrogen 2.621 N/A THR 122.A N LEU 118.A O no hydrogen 2.384 N/A TRP 123.A N ALA 119.A O no hydrogen 2.838 N/A TRP 123.A NE1 TYR 79.A OH no hydrogen 3.280 N/A ARG 124.A N LEU 120.A O no hydrogen 3.154 N/A ARG 124.A N VAL 121.A O no hydrogen 2.779 N/A CYS 126.A SG CYS 126.A O no hydrogen 2.768 N/A ARG 129.A NE ARG 129.A O no hydrogen 3.262 N/A ASN 132.A ND2 LEU 127.A O no hydrogen 3.322 N/A GLN 134.A NE2 PRO 130.A O no hydrogen 2.946 N/A VAL 135.A N LEU 131.A O no hydrogen 2.449 N/A THR 136.A N ASN 132.A O no hydrogen 2.868 N/A THR 136.A OG1 ASN 132.A O no hydrogen 3.385 N/A THR 136.A OG1 TYR 164.A OH no hydrogen 2.718 N/A ASN 137.A N LYS 133.A O no hydrogen 2.830 N/A ALA 138.A N GLN 134.A O no hydrogen 2.918 N/A VAL 139.A N VAL 135.A O no hydrogen 3.084 N/A LEU 140.A N THR 136.A O no hydrogen 2.719 N/A LYS 141.A N ASN 137.A O no hydrogen 2.763 N/A LEU 142.A N ALA 138.A O no hydrogen 3.192 N/A ILE 143.A N VAL 139.A O no hydrogen 2.896 N/A GLU 144.A N LEU 140.A O no hydrogen 2.921 N/A GLU 144.A N LYS 141.A O no hydrogen 2.668 N/A LYS 145.A N LYS 141.A O no hydrogen 3.131 N/A LYS 145.A N LEU 142.A O no hydrogen 2.482 N/A ARG 147.A N GLU 144.A O no hydrogen 3.093 N/A THR 154.A OG1 THR 151.A O no hydrogen 2.892 N/A ARG 155.A N ILE 152.A O no hydrogen 2.798 N/A ILE 157.A N ASN 153.A O no hydrogen 2.491 N/A SER 158.A N THR 154.A O no hydrogen 2.715 N/A SER 158.A OG THR 154.A O no hydrogen 3.376 N/A GLY 159.A N ARG 155.A O no hydrogen 2.897 N/A VAL 161.A N ILE 157.A O no hydrogen 3.067 N/A GLN 162.A N SER 158.A O no hydrogen 2.777 N/A SER 163.A N VAL 160.A O no hydrogen 2.451 N/A SER 163.A OG TYR 79.A OH no hydrogen 2.695 N/A TYR 164.A N VAL 160.A O no hydrogen 2.863 N/A TYR 164.A OH THR 136.A OG1 no hydrogen 2.718 N/A VAL 165.A N VAL 161.A O no hydrogen 2.912 N/A VAL 165.A N GLN 162.A O no hydrogen 3.010 N/A GLU 166.A N GLN 162.A O no hydrogen 3.011 N/A LEU 167.A N SER 163.A O no hydrogen 2.971 N/A GLY 168.A N VAL 165.A O no hydrogen 2.115 N/A ASN 170.A ND2 GLU 166.A O no hydrogen 2.771 N/A TYR 176.A N TYR 164.A O no hydrogen 3.063 N/A TYR 176.A OH THR 231.A OG1 no hydrogen 2.257 N/A LYS 177.A NZ GLU 181.A OE1 no hydrogen 3.527 N/A GLU 178.A N THR 174.A O no hydrogen 2.443 N/A SER 179.A N VAL 175.A O no hydrogen 2.578 N/A SER 179.A OG VAL 175.A O no hydrogen 3.534 N/A PHE 180.A N TYR 176.A O no hydrogen 2.945 N/A GLU 181.A N TYR 176.A O no hydrogen 2.882 N/A SER 182.A N LYS 177.A O no hydrogen 3.186 N/A GLN 183.A NE2 GLU 178.A O no hydrogen 3.062 N/A PHE 184.A N PHE 180.A O no hydrogen 3.004 N/A LEU 185.A N GLU 181.A O no hydrogen 3.051 N/A ALA 186.A N SER 182.A O no hydrogen 3.041 N/A ASP 187.A N GLN 183.A O no hydrogen 2.639 N/A THR 188.A N PHE 184.A O no hydrogen 2.845 N/A THR 188.A OG1 PHE 184.A O no hydrogen 3.091 N/A GLU 189.A N LEU 185.A O no hydrogen 2.845 N/A ARG 190.A N ALA 186.A O no hydrogen 3.275 N/A ARG 190.A N ASP 187.A O no hydrogen 3.026 N/A PHE 191.A N ASP 187.A O no hydrogen 2.974 N/A TYR 192.A N THR 188.A O no hydrogen 3.317 N/A THR 193.A N ARG 190.A O no hydrogen 2.642 N/A THR 193.A OG1 GLU 189.A O no hydrogen 2.489 N/A THR 193.A OG1 ARG 190.A O no hydrogen 2.864 N/A ARG 194.A N ARG 190.A O no hydrogen 2.952 N/A GLU 195.A N PHE 191.A O no hydrogen 3.083 N/A SER 196.A N TYR 192.A O no hydrogen 2.814 N/A SER 196.A OG TYR 192.A O no hydrogen 2.500 N/A SER 196.A OG THR 193.A O no hydrogen 3.047 N/A SER 196.A OG HIS 247.A NE2 no hydrogen 3.066 N/A GLU 198.A N ARG 194.A O no hydrogen 3.400 N/A PHE 199.A N GLU 195.A O no hydrogen 2.974 N/A LEU 200.A N SER 196.A O no hydrogen 2.903 N/A GLN 201.A N GLU 198.A O no hydrogen 3.084 N/A ASN 203.A ND2 PHE 199.A O no hydrogen 2.681 N/A THR 206.A OG1 THR 206.A O no hydrogen 2.113 N/A TYR 208.A N VAL 205.A O no hydrogen 2.432 N/A TYR 208.A OH LEU 243.A O no hydrogen 2.262 N/A MET 209.A N VAL 205.A O no hydrogen 2.753 N/A LYS 210.A NZ ASP 266.A OD1 no hydrogen 3.232 N/A ALA 212.A N TYR 208.A O no hydrogen 2.420 N/A GLU 213.A N MET 209.A O no hydrogen 2.406 N/A ALA 214.A N LYS 210.A O no hydrogen 3.224 N/A ARG 215.A N LYS 211.A O no hydrogen 3.298 N/A ARG 215.A NH1 GLU 146.A O no hydrogen 2.835 N/A ARG 215.A NH2 GLU 146.A O no hydrogen 3.321 N/A LEU 216.A N ALA 212.A O no hydrogen 3.352 N/A LEU 217.A N GLU 213.A O no hydrogen 3.351 N/A GLU 218.A N ALA 214.A O no hydrogen 2.701 N/A GLU 219.A N ARG 215.A O no hydrogen 2.667 N/A GLN 220.A N LEU 216.A O no hydrogen 2.969 N/A ARG 221.A N LEU 217.A O no hydrogen 2.921 N/A ARG 222.A N GLU 218.A O no hydrogen 3.108 N/A VAL 223.A N GLU 219.A O no hydrogen 3.226 N/A GLN 224.A N GLN 220.A O no hydrogen 3.416 N/A VAL 225.A N ARG 221.A O no hydrogen 2.856 N/A TYR 226.A N ARG 222.A O no hydrogen 2.969 N/A LEU 227.A N ARG 222.A O no hydrogen 3.400 N/A SER 230.A N HIS 228.A ND1 no hydrogen 2.733 N/A SER 230.A OG HIS 228.A ND1 no hydrogen 2.469 N/A THR 231.A N HIS 228.A O no hydrogen 3.025 N/A THR 231.A OG1 TYR 176.A OH no hydrogen 2.257 N/A THR 231.A OG1 HIS 228.A O no hydrogen 3.064 N/A ALA 236.A N GLN 232.A O no hydrogen 2.909 N/A ARG 237.A N ASP 233.A O no hydrogen 2.755 N/A LYS 238.A N GLU 234.A O no hydrogen 2.717 N/A CYS 239.A N LEU 235.A O no hydrogen 2.757 N/A GLU 240.A N ALA 236.A O no hydrogen 3.026 N/A GLN 241.A N ARG 237.A O no hydrogen 3.212 N/A VAL 242.A N LYS 238.A O no hydrogen 3.279 N/A LEU 243.A N CYS 239.A O no hydrogen 2.829 N/A ILE 244.A N GLU 240.A O no hydrogen 2.799 N/A GLU 245.A N GLN 241.A O no hydrogen 2.908 N/A LYS 246.A N GLN 241.A O no hydrogen 3.206 N/A LEU 248.A N GLU 245.A O no hydrogen 1.863 N/A PHE 251.A N HIS 247.A O no hydrogen 2.951 N/A HIS 252.A N LEU 248.A O no hydrogen 3.096 N/A THR 253.A N GLU 249.A O no hydrogen 2.967 N/A THR 253.A OG1 GLU 249.A O no hydrogen 2.900 N/A GLU 254.A N ILE 250.A O no hydrogen 2.640 N/A PHE 255.A N PHE 251.A O no hydrogen 2.810 N/A GLN 256.A NE2 ASP 260.A OD2 no hydrogen 2.650 N/A ASN 257.A N GLU 254.A O no hydrogen 2.362 N/A ASN 257.A ND2 GLU 254.A OE1 no hydrogen 2.467 N/A LEU 258.A N GLU 254.A O no hydrogen 3.236 N/A LEU 259.A N PHE 255.A O no hydrogen 3.114 N/A ASP 260.A N GLN 256.A O no hydrogen 3.285 N/A ASP 260.A N ASN 257.A O no hydrogen 2.682 N/A ALA 261.A N ASN 257.A O no hydrogen 2.760 N/A ASN 264.A N ASP 262.A O no hydrogen 2.431 N/A ASP 266.A N LYS 263.A O no hydrogen 3.030 N/A LEU 267.A N LYS 263.A O no hydrogen 2.868 N/A GLY 268.A N ASN 264.A O no hydrogen 2.433 N/A ARG 269.A N GLU 265.A O no hydrogen 3.343 N/A ARG 269.A NH1 GLU 265.A OE2 no hydrogen 2.871 N/A ARG 269.A NH2 GLU 265.A OE2 no hydrogen 2.609 N/A MET 270.A N ASP 266.A O no hydrogen 3.100 N/A MET 270.A N LEU 267.A O no hydrogen 3.233 N/A TYR 271.A N LEU 267.A O no hydrogen 3.210 N/A TYR 271.A OH ASP 336.A OD2 no hydrogen 2.740 N/A LEU 273.A N ARG 269.A O no hydrogen 2.899 N/A VAL 274.A N MET 270.A O no hydrogen 2.752 N/A SER 275.A OG ASN 272.A O no hydrogen 2.489 N/A ARG 276.A N LEU 273.A O no hydrogen 3.383 N/A ILE 277.A N VAL 274.A O no hydrogen 2.359 N/A GLY 280.A N ILE 277.A O no hydrogen 3.001 N/A LYS 285.A N LEU 281.A O no hydrogen 3.096 N/A LYS 286.A N GLY 282.A O no hydrogen 3.026 N/A LEU 287.A N GLU 283.A O no hydrogen 2.405 N/A LEU 288.A N LEU 284.A O no hydrogen 2.385 N/A GLU 289.A N LYS 285.A O no hydrogen 2.936 N/A THR 290.A N LYS 286.A O no hydrogen 3.129 N/A THR 290.A OG1 LYS 286.A O no hydrogen 3.291 N/A HIS 291.A N LEU 287.A O no hydrogen 3.126 N/A ILE 292.A N LEU 288.A O no hydrogen 3.282 N/A ASN 294.A N THR 290.A O no hydrogen 3.080 N/A GLN 295.A N HIS 291.A O no hydrogen 2.684 N/A GLN 295.A NE2 TYR 325.A OH no hydrogen 3.371 N/A GLY 296.A N ILE 292.A O no hydrogen 2.707 N/A ALA 298.A N ASN 294.A O no hydrogen 2.906 N/A ALA 299.A N GLN 295.A O no hydrogen 2.970 N/A ILE 300.A N GLY 296.A O no hydrogen 3.177 N/A GLU 301.A N ALA 298.A O no hydrogen 2.768 N/A LYS 302.A N ALA 298.A O no hydrogen 2.923 N/A LYS 302.A N ALA 299.A O no hydrogen 3.195 N/A CYS 303.A SG ALA 299.A O no hydrogen 3.150 N/A CYS 303.A SG THR 317.A OG1 no hydrogen 3.305 N/A GLY 304.A N ILE 300.A O no hydrogen 3.121 N/A MET 313.A N ASP 310.A OD1 no hydrogen 2.656 N/A VAL 315.A N LYS 312.A O no hydrogen 2.293 N/A GLN 316.A N LYS 312.A O no hydrogen 2.631 N/A THR 317.A N MET 313.A O no hydrogen 2.626 N/A THR 317.A OG1 MET 313.A O no hydrogen 2.597 N/A VAL 318.A N TYR 314.A O no hydrogen 3.096 N/A LEU 319.A N VAL 315.A O no hydrogen 3.066 N/A LEU 319.A N GLN 316.A O no hydrogen 2.450 N/A ASP 320.A N GLN 316.A O no hydrogen 2.961 N/A VAL 321.A N THR 317.A O no hydrogen 3.398 N/A HIS 322.A N VAL 318.A O no hydrogen 2.969 N/A LYS 323.A N LEU 319.A O no hydrogen 2.790 N/A LYS 324.A N ASP 320.A O no hydrogen 3.096 N/A LYS 324.A NZ ASP 262.A OD1 no hydrogen 2.994 N/A LYS 324.A NZ ASP 262.A OD2 no hydrogen 2.859 N/A TYR 325.A N VAL 321.A O no hydrogen 3.324 N/A ASN 326.A N HIS 322.A O no hydrogen 2.816 N/A ALA 327.A N LYS 323.A O no hydrogen 2.671 N/A LEU 328.A N LYS 324.A O no hydrogen 2.917 N/A VAL 329.A N TYR 325.A O no hydrogen 2.856 N/A MET 330.A N ASN 326.A O no hydrogen 3.270 N/A SER 331.A N ALA 327.A O no hydrogen 3.426 N/A SER 331.A OG ALA 327.A O no hydrogen 2.719 N/A ALA 332.A N LEU 328.A O no hydrogen 2.696 N/A PHE 333.A N LEU 328.A O no hydrogen 3.284 N/A ASN 335.A N VAL 329.A O no hydrogen 2.805 N/A ASP 336.A N PHE 333.A O no hydrogen 2.979 N/A GLY 338.A N ASP 336.A OD1 no hydrogen 2.470 N/A PHE 339.A N ASP 336.A O no hydrogen 3.066 N/A VAL 340.A N ASP 336.A O no hydrogen 3.273 N/A ALA 341.A N ALA 337.A O no hydrogen 2.913 N/A ALA 342.A N GLY 338.A O no hydrogen 3.252 N/A LEU 343.A N PHE 339.A O no hydrogen 2.597 N/A ASP 344.A N VAL 340.A O no hydrogen 2.680 N/A LYS 345.A N ALA 341.A O no hydrogen 2.768 N/A ALA 346.A N ALA 342.A O no hydrogen 3.049 N/A CYS 347.A N LEU 343.A O no hydrogen 2.964 N/A CYS 347.A SG HIS 322.A ND1 no hydrogen 3.955 N/A CYS 347.A SG LEU 343.A O no hydrogen 3.200 N/A GLY 348.A N ASP 344.A O no hydrogen 2.808 N/A ARG 349.A N ALA 346.A O no hydrogen 3.051 N/A PHE 350.A N CYS 347.A O no hydrogen 3.174 N/A ILE 351.A N CYS 347.A O no hydrogen 3.090 N/A ASN 352.A ND2 GLY 348.A O no hydrogen 3.370 N/A ASN 354.A ND2 PHE 350.A O no hydrogen 1.805 N/A THR 357.A N ASN 354.A O no hydrogen 2.810 N/A LYS 358.A N ASN 354.A O no hydrogen 2.892 N/A