Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1dtd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH LEU 275.A O no hydrogen 2.640 N/A HIS 7.A ND1 GLU 11.A OE1 no hydrogen 2.733 N/A HIS 7.A NE2 ASN 2.A O no hydrogen 2.745 N/A THR 8.A N GLU 11.A OE1 no hydrogen 3.231 N/A THR 8.A OG1 GLU 10.A OE1 no hydrogen 3.516 N/A GLU 11.A N THR 8.A OG1 no hydrogen 3.120 N/A ILE 12.A N THR 8.A O no hydrogen 2.960 N/A SER 13.A N LEU 9.A O no hydrogen 2.970 N/A SER 13.A OG LEU 9.A O no hydrogen 3.067 N/A GLN 14.A N GLU 10.A O no hydrogen 3.077 N/A GLU 15.A N GLU 11.A O no hydrogen 3.090 N/A MET 16.A N ILE 12.A O no hydrogen 3.003 N/A ASP 17.A N SER 13.A O no hydrogen 2.977 N/A ASN 18.A N GLN 14.A O no hydrogen 2.814 N/A LEU 19.A N GLU 15.A O no hydrogen 2.843 N/A VAL 20.A N MET 16.A O no hydrogen 3.188 N/A ALA 21.A N ASP 17.A O no hydrogen 3.045 N/A GLU 22.A N ASN 18.A O no hydrogen 2.993 N/A HIS 23.A N VAL 20.A O no hydrogen 3.340 N/A LEU 26.A N HIS 23.A O no hydrogen 3.247 N/A VAL 27.A N HIS 23.A O no hydrogen 3.064 N/A SER 28.A N LYS 45.A O no hydrogen 2.984 N/A LYS 29.A NZ ASP 17.A OD1 no hydrogen 2.651 N/A VAL 30.A N VAL 43.A O no hydrogen 2.895 N/A ASN 31.A ND2 GLY 33.A O no hydrogen 3.188 N/A ILE 32.A N MET 41.A O no hydrogen 2.996 N/A GLY 33.A N ASN 31.A OD1 no hydrogen 2.861 N/A SER 35.A N ARG 39.A O no hydrogen 2.688 N/A SER 35.A OG ARG 39.A O no hydrogen 3.478 N/A SER 35.A OG ASP 107.A OD1 no hydrogen 2.596 N/A SER 35.A OG ASP 107.A OD2 no hydrogen 3.286 N/A PHE 36.A N GLU 169.A OE2 no hydrogen 3.119 N/A GLU 37.A N ASP 107.A OD2 no hydrogen 2.877 N/A ASN 38.A N SER 35.A O no hydrogen 2.874 N/A ARG 39.A N SER 35.A OG no hydrogen 2.768 N/A ARG 39.A NH2 GLU 37.A OE1 no hydrogen 2.825 N/A ARG 39.A NH2 ASP 107.A OD1 no hydrogen 3.124 N/A MET 41.A N GLY 33.A O no hydrogen 2.904 N/A VAL 43.A N VAL 30.A O no hydrogen 2.848 N/A LEU 44.A N LEU 100.A O no hydrogen 2.804 N/A LYS 45.A N SER 28.A O no hydrogen 2.827 N/A LYS 45.A NZ ASP 97.A OD2 no hydrogen 3.156 N/A PHE 46.A N ILE 98.A O no hydrogen 2.838 N/A SER 47.A N LEU 26.A O no hydrogen 2.940 N/A SER 47.A OG ASP 97.A OD1 no hydrogen 2.733 N/A THR 48.A OG1 TYR 83.A OH no hydrogen 3.351 N/A GLY 49.A N SER 47.A OG no hydrogen 3.150 N/A LYS 52.A NZ GLY 49.A O no hydrogen 2.850 N/A LYS 52.A NZ LEU 93.A O no hydrogen 3.487 N/A LYS 52.A NZ ASP 94.A O no hydrogen 3.101 N/A ALA 54.A N LYS 182.A O no hydrogen 2.948 N/A ILE 55.A N ASP 97.A O no hydrogen 2.928 N/A TRP 56.A N ALA 185.A O no hydrogen 2.907 N/A TRP 56.A NE1 ASP 58.A OD1 no hydrogen 2.819 N/A LEU 57.A N PHE 99.A O no hydrogen 2.861 N/A ASP 58.A N ILE 187.A O no hydrogen 2.952 N/A ALA 59.A N LEU 101.A O no hydrogen 2.972 N/A HIS 62.A NE2 ASP 136.A OD1 no hydrogen 2.594 N/A ALA 63.A N ARG 120.A O no hydrogen 3.258 N/A ARG 64.A NH2 MET 118.A O no hydrogen 2.964 N/A GLU 65.A N HIS 62.A O no hydrogen 3.210 N/A TRP 66.A N ARG 64.A O no hydrogen 2.922 N/A TRP 66.A NE1 SER 112.A OG no hydrogen 3.003 N/A THR 68.A N GLU 65.A O no hydrogen 2.915 N/A THR 68.A OG1 GLU 65.A O no hydrogen 2.836 N/A THR 68.A OG1 GLN 69.A OE1 no hydrogen 3.342 N/A GLN 69.A N GLN 69.A OE1 no hydrogen 2.810 N/A GLN 69.A NE2 ALA 63.A O no hydrogen 3.506 N/A ALA 70.A N TRP 66.A O no hydrogen 3.318 N/A THR 71.A N VAL 67.A O no hydrogen 2.956 N/A THR 71.A OG1 VAL 67.A O no hydrogen 2.854 N/A ALA 72.A N THR 68.A O no hydrogen 2.971 N/A LEU 73.A N GLN 69.A O no hydrogen 3.041 N/A TRP 74.A N ALA 70.A O no hydrogen 3.092 N/A THR 75.A N THR 71.A O no hydrogen 2.926 N/A THR 75.A OG1 THR 71.A O no hydrogen 2.847 N/A ALA 76.A N ALA 72.A O no hydrogen 3.045 N/A ASN 77.A N LEU 73.A O no hydrogen 3.293 N/A LYS 78.A N TRP 74.A O no hydrogen 2.872 N/A LYS 78.A NZ ASP 82.A OD2 no hydrogen 2.968 N/A ILE 79.A N THR 75.A O no hydrogen 2.975 N/A VAL 80.A N ALA 76.A O no hydrogen 3.364 N/A SER 81.A N ASN 77.A O no hydrogen 2.958 N/A SER 81.A OG ASN 77.A O no hydrogen 2.861 N/A ASP 82.A N LYS 78.A O no hydrogen 3.011 N/A TYR 83.A N ILE 79.A O no hydrogen 2.957 N/A GLY 84.A N THR 90.A OG1 no hydrogen 2.811 N/A LYS 85.A N ASP 82.A O no hydrogen 2.989 N/A ASP 86.A N ASP 82.A O no hydrogen 3.034 N/A SER 88.A N ASP 86.A OD1 no hydrogen 3.098 N/A SER 88.A OG GLU 296.A OE2 no hydrogen 3.109 N/A ILE 89.A N ASP 86.A OD2 no hydrogen 2.962 N/A THR 90.A N ASP 86.A O no hydrogen 3.277 N/A THR 90.A OG1 ASP 86.A O no hydrogen 2.704 N/A SER 91.A N PRO 87.A O no hydrogen 3.064 N/A SER 91.A OG PRO 87.A O no hydrogen 3.301 N/A SER 91.A OG SER 88.A O no hydrogen 3.185 N/A ILE 92.A N SER 88.A O no hydrogen 2.929 N/A LEU 93.A N ILE 89.A O no hydrogen 3.028 N/A ASP 94.A N THR 90.A O no hydrogen 3.114 N/A ALA 95.A N SER 91.A O no hydrogen 3.362 N/A LEU 96.A N ILE 92.A O no hydrogen 2.871 N/A ASP 97.A N PRO 53.A O no hydrogen 2.984 N/A ILE 98.A N PHE 46.A O no hydrogen 3.042 N/A PHE 99.A N ILE 55.A O no hydrogen 2.873 N/A LEU 100.A N LEU 44.A O no hydrogen 2.878 N/A LEU 101.A N LEU 57.A O no hydrogen 2.940 N/A THR 104.A N ALA 59.A O no hydrogen 2.997 N/A THR 104.A OG1 ALA 59.A O no hydrogen 2.802 N/A ASN 105.A ND2 ILE 61.A O no hydrogen 3.131 N/A ASN 105.A ND2 LYS 121.A O no hydrogen 3.013 N/A GLY 108.A N ASN 105.A OD1 no hydrogen 3.095 N/A TYR 109.A N ASN 105.A O no hydrogen 3.016 N/A TYR 109.A OH HIS 7.A O no hydrogen 2.769 N/A VAL 110.A N PRO 106.A O no hydrogen 3.010 N/A PHE 111.A N ASP 107.A O no hydrogen 3.063 N/A SER 112.A N GLY 108.A O no hydrogen 2.889 N/A SER 112.A OG TYR 109.A O no hydrogen 2.701 N/A GLN 113.A N TYR 109.A O no hydrogen 3.057 N/A GLN 113.A N VAL 110.A O no hydrogen 3.083 N/A GLN 113.A NE2 HIS 7.A O no hydrogen 3.646 N/A THR 114.A N PHE 111.A O no hydrogen 3.314 N/A THR 114.A OG1 VAL 110.A O no hydrogen 2.965 N/A THR 114.A OG1 PHE 111.A O no hydrogen 3.549 N/A LYS 115.A N PHE 111.A O no hydrogen 2.842 N/A ASN 116.A N PHE 111.A O no hydrogen 3.060 N/A ARG 117.A NH1 ARG 64.A O no hydrogen 2.971 N/A ARG 117.A NH1 ARG 117.A O no hydrogen 2.943 N/A ARG 117.A NH2 PHE 273.A O no hydrogen 2.939 N/A TRP 119.A N ASN 116.A O no hydrogen 3.097 N/A TRP 119.A NE1 THR 122.A O no hydrogen 3.190 N/A ARG 120.A NE ASP 136.A OD2 no hydrogen 3.046 N/A ARG 120.A NE ASP 157.A O no hydrogen 3.035 N/A ARG 120.A NH1 ASP 136.A OD2 no hydrogen 2.541 N/A LYS 121.A NZ VAL 133.A O no hydrogen 3.200 N/A LYS 121.A NZ GLY 134.A O no hydrogen 2.960 N/A LYS 121.A NZ SER 156.A O no hydrogen 3.022 N/A THR 122.A N VAL 135.A O no hydrogen 2.984 N/A THR 122.A OG1 SER 124.A OG no hydrogen 3.330 N/A THR 122.A OG1 VAL 135.A O no hydrogen 3.345 N/A THR 122.A OG1 GLU 167.A OE1 no hydrogen 2.841 N/A SER 124.A OG THR 122.A OG1 no hydrogen 3.330 N/A SER 124.A OG GLU 167.A OE1 no hydrogen 2.672 N/A LYS 125.A NZ SER 130.A O no hydrogen 3.388 N/A LYS 125.A NZ CYS 132.A O no hydrogen 2.724 N/A CYS 132.A N SER 130.A OG no hydrogen 2.964 N/A GLY 134.A N SER 124.A O no hydrogen 2.814 N/A VAL 135.A N THR 122.A OG1 no hydrogen 3.046 N/A ASP 136.A N TYR 159.A O no hydrogen 2.804 N/A ASN 138.A N ASP 136.A OD1 no hydrogen 2.841 N/A ARG 139.A N ASP 136.A O no hydrogen 3.025 N/A ARG 139.A NE GLY 149.A O no hydrogen 2.764 N/A ARG 139.A NH1 ASN 138.A O no hydrogen 3.118 N/A ASN 140.A ND2 HIS 160.A O no hydrogen 2.889 N/A ASN 140.A ND2 SER 163.A O no hydrogen 3.295 N/A ASN 140.A ND2 SER 166.A OG no hydrogen 3.151 N/A TRP 141.A N GLY 246.A O no hydrogen 2.930 N/A ALA 143.A N TRP 141.A O no hydrogen 2.940 N/A GLY 147.A N GLY 144.A O no hydrogen 3.093 N/A ALA 150.A N GLY 147.A O no hydrogen 3.370 N/A SER 151.A N SER 158.A O no hydrogen 3.030 N/A SER 151.A OG SER 156.A OG no hydrogen 3.356 N/A SER 152.A OG HIS 160.A NE2 no hydrogen 2.726 N/A ASN 153.A N SER 151.A OG no hydrogen 3.076 N/A CYS 155.A N ASN 153.A OD1 no hydrogen 3.057 N/A SER 156.A N ASN 153.A O no hydrogen 2.998 N/A SER 156.A OG SER 151.A OG no hydrogen 3.356 N/A SER 156.A OG ASN 153.A O no hydrogen 3.501 N/A TYR 159.A N SER 156.A O no hydrogen 3.380 N/A HIS 160.A N SER 151.A O no hydrogen 3.088 N/A HIS 160.A ND1 GLY 161.A O no hydrogen 2.590 N/A HIS 160.A NE2 SER 152.A OG no hydrogen 2.726 N/A ASN 165.A N ASN 140.A O no hydrogen 2.797 N/A SER 166.A N SER 163.A O no hydrogen 3.115 N/A SER 166.A OG SER 163.A O no hydrogen 3.325 N/A SER 166.A OG GLU 167.A OE2 no hydrogen 2.950 N/A GLU 167.A N ASN 140.A OD1 no hydrogen 3.128 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.826 N/A LYS 171.A N GLU 167.A O no hydrogen 2.949 N/A LYS 171.A NZ ASP 175.A OD1 no hydrogen 3.051 N/A LYS 171.A NZ ASP 175.A OD2 no hydrogen 2.677 N/A SER 172.A N VAL 168.A O no hydrogen 2.962 N/A SER 172.A OG VAL 168.A O no hydrogen 2.768 N/A ILE 173.A N GLU 169.A O no hydrogen 3.402 N/A VAL 174.A N VAL 170.A O no hydrogen 3.050 N/A ASP 175.A N LYS 171.A O no hydrogen 2.908 N/A PHE 176.A N SER 172.A O no hydrogen 3.197 N/A ILE 177.A N ILE 173.A O no hydrogen 2.973 N/A LYS 178.A N VAL 174.A O no hydrogen 2.995 N/A SER 179.A N ASP 175.A O no hydrogen 2.919 N/A SER 179.A OG ASP 175.A O no hydrogen 3.518 N/A HIS 180.A N PHE 176.A O no hydrogen 2.863 N/A GLY 181.A N ILE 177.A O no hydrogen 3.186 N/A LYS 184.A N ALA 54.A O no hydrogen 2.814 N/A LYS 184.A NZ TYR 303.A O no hydrogen 2.949 N/A PHE 186.A N TYR 259.A O no hydrogen 2.843 N/A ILE 187.A N TRP 56.A O no hydrogen 2.887 N/A ILE 188.A N PHE 261.A O no hydrogen 3.046 N/A LEU 189.A N ASP 58.A O no hydrogen 2.882 N/A HIS 190.A N PHE 263.A O no hydrogen 2.875 N/A SER 191.A N GLU 65.A OE1 no hydrogen 2.856 N/A SER 193.A N LEU 265.A O no hydrogen 3.218 N/A SER 193.A OG TYR 192.A O no hydrogen 2.553 N/A GLN 194.A N LEU 265.A O no hydrogen 3.240 N/A LEU 195.A N GLU 264.A O no hydrogen 3.026 N/A LEU 196.A N LYS 233.A O no hydrogen 2.883 N/A MET 197.A N ALA 262.A O no hydrogen 2.820 N/A PHE 198.A N GLY 235.A O no hydrogen 3.348 N/A TYR 200.A OH ASP 254.A OD2 no hydrogen 2.715 N/A GLY 201.A N ASP 250.A OD1 no hydrogen 3.041 N/A GLY 201.A N ASP 250.A OD2 no hydrogen 2.860 N/A TYR 202.A N ASP 250.A OD2 no hydrogen 2.821 N/A TYR 202.A OH ASP 254.A OD1 no hydrogen 2.878 N/A ASP 209.A N TYR 253.A OH no hydrogen 3.401 N/A PHE 210.A N LEU 207.A O no hydrogen 3.215 N/A LEU 213.A N ASP 209.A O no hydrogen 2.955 N/A SER 214.A N PHE 210.A O no hydrogen 2.922 N/A GLU 215.A N ASP 211.A O no hydrogen 3.100 N/A VAL 216.A N GLU 212.A O no hydrogen 2.969 N/A ALA 217.A N LEU 213.A O no hydrogen 2.883 N/A GLN 218.A N SER 214.A O no hydrogen 2.964 N/A LYS 219.A N GLU 215.A O no hydrogen 3.013 N/A LYS 219.A NZ SER 223.A OG no hydrogen 2.758 N/A ALA 220.A N VAL 216.A O no hydrogen 2.973 N/A ALA 221.A N ALA 217.A O no hydrogen 3.007 N/A GLN 222.A N GLN 218.A O no hydrogen 3.016 N/A SER 223.A N LYS 219.A O no hydrogen 3.044 N/A SER 223.A OG LYS 219.A O no hydrogen 3.077 N/A LEU 224.A N ALA 220.A O no hydrogen 2.890 N/A SER 225.A N ALA 221.A O no hydrogen 2.987 N/A ARG 226.A N GLN 222.A O no hydrogen 3.312 N/A ARG 226.A N SER 223.A O no hydrogen 3.314 N/A LEU 227.A N LEU 224.A O no hydrogen 3.489 N/A GLY 229.A N SER 225.A O no hydrogen 2.826 N/A THR 230.A OG1 GLU 286.A OE1 no hydrogen 3.214 N/A THR 230.A OG1 GLU 286.A OE2 no hydrogen 3.254 N/A LYS 233.A N GLN 194.A O no hydrogen 3.122 N/A GLY 235.A N LEU 196.A O no hydrogen 3.374 N/A ILE 237.A N PHE 198.A O no hydrogen 3.106 N/A CYS 238.A N TYR 200.A O no hydrogen 2.857 N/A SER 239.A N PRO 236.A O no hydrogen 3.176 N/A VAL 240.A N PRO 236.A O no hydrogen 3.082 N/A ILE 241.A N ILE 237.A O no hydrogen 3.038 N/A TYR 242.A N ILE 237.A O no hydrogen 3.330 N/A ALA 244.A N GLY 201.A O no hydrogen 2.966 N/A SER 245.A N PRO 148.A O no hydrogen 3.086 N/A SER 245.A OG PRO 148.A O no hydrogen 2.758 N/A GLY 246.A N ALA 143.A O no hydrogen 2.956 N/A SER 248.A N ASN 138.A OD1 no hydrogen 3.041 N/A SER 248.A OG ASN 138.A OD1 no hydrogen 3.533 N/A TRP 251.A N GLY 247.A O no hydrogen 3.251 N/A SER 252.A N SER 248.A O no hydrogen 2.906 N/A SER 252.A OG SER 248.A O no hydrogen 3.481 N/A SER 252.A OG ILE 249.A O no hydrogen 3.088 N/A SER 252.A OG SER 260.A OG no hydrogen 2.817 N/A TYR 253.A N ILE 249.A O no hydrogen 3.008 N/A TYR 253.A OH ASP 209.A OD2 no hydrogen 2.498 N/A ASP 254.A N ASP 250.A O no hydrogen 3.028 N/A TYR 255.A N TRP 251.A O no hydrogen 2.954 N/A TYR 255.A N SER 252.A O no hydrogen 3.135 N/A GLY 256.A N TYR 253.A O no hydrogen 2.930 N/A ILE 257.A N SER 252.A O no hydrogen 2.903 N/A LYS 258.A N TYR 303.A OH no hydrogen 2.941 N/A LYS 258.A NZ GLU 212.A OE2 no hydrogen 3.302 N/A LYS 258.A NZ TYR 259.A OH no hydrogen 3.475 N/A TYR 259.A OH GLU 212.A OE1 no hydrogen 2.667 N/A SER 260.A N LYS 258.A O no hydrogen 3.106 N/A SER 260.A OG SER 252.A OG no hydrogen 2.817 N/A SER 260.A OG ILE 257.A O no hydrogen 2.744 N/A PHE 261.A N PHE 186.A O no hydrogen 2.939 N/A ALA 262.A N MET 197.A O no hydrogen 2.871 N/A PHE 263.A N ILE 188.A O no hydrogen 3.022 N/A GLU 264.A N LEU 195.A O no hydrogen 2.840 N/A LEU 265.A N HIS 190.A O no hydrogen 2.803 N/A ARG 266.A NE GLU 286.A OE2 no hydrogen 2.871 N/A ARG 266.A NH1 GLN 279.A OE1 no hydrogen 3.090 N/A ARG 266.A NH2 GLU 286.A OE1 no hydrogen 2.960 N/A GLY 269.A N ASP 267.A OD1 no hydrogen 2.792 N/A TYR 271.A N ASP 267.A OD2 no hydrogen 2.737 N/A GLY 272.A N ASP 267.A OD1 no hydrogen 2.983 N/A LEU 274.A N TYR 271.A O no hydrogen 3.160 N/A GLN 279.A N PRO 276.A O no hydrogen 2.936 N/A ILE 280.A N ALA 277.A O no hydrogen 3.000 N/A THR 283.A N GLN 279.A O no hydrogen 3.144 N/A THR 283.A OG1 GLN 279.A O no hydrogen 2.846 N/A ALA 284.A N ILE 280.A O no hydrogen 2.892 N/A GLU 285.A N LEU 281.A O no hydrogen 2.844 N/A GLU 286.A N PRO 282.A O no hydrogen 3.224 N/A THR 287.A N THR 283.A O no hydrogen 3.039 N/A THR 287.A OG1 THR 283.A O no hydrogen 2.658 N/A TRP 288.A N ALA 284.A O no hydrogen 2.989 N/A LEU 289.A N GLU 286.A O no hydrogen 3.207 N/A LEU 291.A N THR 287.A O no hydrogen 2.851 N/A LYS 292.A N TRP 288.A O no hydrogen 2.826 N/A LYS 292.A NZ ASP 86.A OD2 no hydrogen 3.437 N/A ALA 293.A N LEU 289.A O no hydrogen 3.188 N/A ILE 294.A N GLY 290.A O no hydrogen 3.230 N/A MET 295.A N LEU 291.A O no hydrogen 3.000 N/A GLU 296.A N LYS 292.A O no hydrogen 2.823 N/A HIS 297.A N ALA 293.A O no hydrogen 3.295 N/A HIS 297.A NE2 GLU 212.A OE1 no hydrogen 2.643 N/A VAL 298.A N ILE 294.A O no hydrogen 3.025 N/A ARG 299.A N MET 295.A O no hydrogen 2.875 N/A ARG 299.A NE ASP 300.A OD1 no hydrogen 2.832 N/A ARG 299.A NH1 ASP 300.A OD1 no hydrogen 3.431 N/A ARG 299.A NH1 ASP 300.A OD2 no hydrogen 3.088 N/A ASP 300.A N GLU 296.A O no hydrogen 2.909 N/A HIS 301.A N HIS 297.A O no hydrogen 3.024 N/A HIS 301.A N VAL 298.A O no hydrogen 3.283 N/A TYR 303.A OH LYS 184.A O no hydrogen 2.720 N/A