Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2duu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ASP 28.A O no hydrogen 3.198 N/A ARG 4.A N ASP 93.A OD1 no hydrogen 3.074 N/A ARG 4.A NE TRP 90.A O no hydrogen 2.892 N/A ARG 4.A NE ASP 91.A O no hydrogen 2.638 N/A ARG 4.A NH2 TRP 90.A O no hydrogen 2.920 N/A VAL 5.A N GLU 30.A O no hydrogen 2.816 N/A ALA 6.A N LEU 94.A O no hydrogen 3.002 N/A ILE 7.A N ALA 33.A O no hydrogen 2.980 N/A ASN 8.A N ILE 96.A O no hydrogen 2.737 N/A ASN 8.A ND2 GLU 97.A OE1 no hydrogen 2.783 N/A GLY 9.A N ASN 35.A O no hydrogen 2.829 N/A ARG 12.A NH2 ASP 50.A OD2 no hydrogen 2.379 N/A ARG 15.A N GLY 11.A O no hydrogen 2.885 N/A ARG 15.A NE PHE 10.A O no hydrogen 3.282 N/A ASN 16.A N ARG 12.A O no hydrogen 3.033 N/A PHE 17.A N ILE 13.A O no hydrogen 2.765 N/A LEU 18.A N GLY 14.A O no hydrogen 3.007 N/A ARG 19.A N ARG 15.A O no hydrogen 3.142 N/A ARG 19.A NH1 GLY 54.A O no hydrogen 3.193 N/A ARG 19.A NH2 GLY 54.A O no hydrogen 3.040 N/A CYS 20.A N ASN 16.A O no hydrogen 2.978 N/A CYS 20.A SG ASN 16.A O no hydrogen 3.369 N/A TRP 21.A N PHE 17.A O no hydrogen 3.004 N/A TRP 21.A NE1 THR 27.A OG1 no hydrogen 2.766 N/A PHE 22.A N LEU 18.A O no hydrogen 2.968 N/A ARG 24.A N TRP 21.A O no hydrogen 2.963 N/A ARG 24.A NH1 CYS 20.A O no hydrogen 3.483 N/A ARG 24.A NH2 GLN 308.A O no hydrogen 3.145 N/A ARG 24.A NH2 ASP 312.A OD1 no hydrogen 2.746 N/A THR 27.A OG1 LEU 29.A O no hydrogen 3.378 N/A THR 27.A OG1 GLU 315.A OE2 no hydrogen 2.652 N/A ASP 28.A N GLU 315.A OE1 no hydrogen 2.999 N/A LEU 29.A N THR 27.A OG1 no hydrogen 2.793 N/A GLU 30.A N ILE 3.A O no hydrogen 2.921 N/A VAL 32.A N VAL 5.A O no hydrogen 2.890 N/A ILE 34.A N LYS 75.A O no hydrogen 2.783 N/A ASN 35.A N ILE 7.A O no hydrogen 2.860 N/A ASN 35.A ND2 ASN 8.A OD1 no hydrogen 2.777 N/A ASN 35.A ND2 ASP 79.A O no hydrogen 2.848 N/A ASN 36.A N VAL 77.A O no hydrogen 2.823 N/A SER 38.A OG ASN 36.A OD1 no hydrogen 2.611 N/A SER 38.A OG ASP 39.A O no hydrogen 3.335 N/A ARG 41.A N ASP 39.A OD1 no hydrogen 2.728 N/A THR 42.A N ASP 39.A OD1 no hydrogen 2.431 N/A THR 42.A OG1 ASP 39.A OD1 no hydrogen 3.107 N/A THR 42.A OG1 ASP 39.A OD2 no hydrogen 3.498 N/A ALA 43.A N ASP 39.A O no hydrogen 3.140 N/A HIS 45.A N ARG 41.A O no hydrogen 2.932 N/A LEU 46.A N THR 42.A O no hydrogen 2.955 N/A LEU 47.A N ALA 43.A O no hydrogen 2.922 N/A GLU 48.A N ALA 44.A O no hydrogen 3.186 N/A GLU 48.A N HIS 45.A O no hydrogen 3.158 N/A TYR 49.A N HIS 45.A O no hydrogen 2.934 N/A VAL 52.A N ASP 50.A OD2 no hydrogen 3.458 N/A LEU 53.A N ASP 50.A OD1 no hydrogen 2.991 N/A GLY 54.A N ASP 50.A O no hydrogen 2.853 N/A ARG 55.A NH1 TYR 49.A OH no hydrogen 3.371 N/A PHE 56.A N GLU 48.A O no hydrogen 2.692 N/A SER 61.A N THR 68.A O no hydrogen 2.838 N/A SER 61.A OG THR 68.A O no hydrogen 3.211 N/A ASN 65.A N ASP 63.A OD1 no hydrogen 3.183 N/A ILE 67.A N MET 74.A O no hydrogen 3.254 N/A THR 68.A N SER 61.A O no hydrogen 2.738 N/A VAL 69.A N LYS 72.A O no hydrogen 2.982 N/A ASN 70.A N ASP 59.A O no hydrogen 2.865 N/A LYS 72.A N ASN 70.A O no hydrogen 2.684 N/A LYS 72.A NZ GLU 30.A OE2 no hydrogen 2.884 N/A MET 74.A N ILE 67.A O no hydrogen 2.969 N/A LYS 75.A N VAL 32.A O no hydrogen 2.797 N/A ILE 76.A N ASN 65.A O no hydrogen 2.642 N/A VAL 77.A N ILE 34.A O no hydrogen 3.044 N/A CYS 78.A SG ASN 36.A O no hydrogen 3.595 N/A ASP 79.A N ASN 35.A OD1 no hydrogen 2.884 N/A LEU 83.A N ASN 81.A OD1 no hydrogen 3.282 N/A ASN 84.A N ASN 81.A O no hydrogen 2.863 N/A LEU 85.A N PRO 82.A O no hydrogen 2.919 N/A TRP 87.A NE1 HIS 111.A ND1 no hydrogen 2.760 N/A LYS 88.A N ALA 114.A O no hydrogen 2.869 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.397 N/A TRP 90.A N PRO 86.A O no hydrogen 2.979 N/A ASP 91.A N LYS 88.A O no hydrogen 2.989 N/A ILE 92.A N TRP 87.A O no hydrogen 2.979 N/A ASP 93.A N ARG 4.A O no hydrogen 2.894 N/A LEU 94.A N ARG 4.A O no hydrogen 3.116 N/A VAL 95.A N LYS 118.A O no hydrogen 2.792 N/A ILE 96.A N ALA 6.A O no hydrogen 2.826 N/A GLU 97.A N LEU 120.A O no hydrogen 2.948 N/A SER 98.A N ASN 8.A O no hydrogen 2.996 N/A SER 98.A OG ASN 8.A O no hydrogen 2.939 N/A THR 99.A N GLU 97.A OE2 no hydrogen 2.668 N/A THR 99.A OG1 GLU 97.A OE2 no hydrogen 2.691 N/A VAL 101.A N THR 99.A OG1 no hydrogen 3.168 N/A GLY 107.A N THR 104.A OG1 no hydrogen 3.084 N/A ALA 108.A N THR 104.A O no hydrogen 2.986 N/A SER 109.A N ALA 105.A O no hydrogen 2.919 N/A SER 109.A OG ALA 105.A O no hydrogen 2.680 N/A SER 109.A OG GLU 106.A O no hydrogen 2.940 N/A LYS 110.A N GLY 107.A O no hydrogen 3.019 N/A HIS 111.A N ALA 108.A O no hydrogen 3.184 N/A HIS 111.A NE2 GLU 97.A OE1 no hydrogen 3.072 N/A ILE 112.A N SER 109.A O no hydrogen 2.819 N/A GLN 113.A N SER 109.A O no hydrogen 3.128 N/A ALA 114.A N LYS 110.A O no hydrogen 3.027 N/A GLY 115.A N ILE 112.A O no hydrogen 2.713 N/A ALA 116.A N HIS 111.A O no hydrogen 2.993 N/A LYS 118.A N ASP 93.A O no hydrogen 2.794 N/A LYS 118.A NZ TYR 142.A OH no hydrogen 2.922 N/A LYS 118.A NZ HIS 144.A O no hydrogen 2.917 N/A LYS 118.A NZ PHE 147.A O no hydrogen 2.802 N/A VAL 119.A N ALA 148.A O no hydrogen 2.971 N/A LEU 120.A N VAL 95.A O no hydrogen 3.001 N/A ILE 121.A N ILE 150.A O no hydrogen 2.687 N/A THR 122.A N GLU 97.A O no hydrogen 2.947 N/A THR 122.A OG1 GLU 97.A O no hydrogen 3.040 N/A LYS 126.A N VAL 103.A O no hydrogen 2.810 N/A GLY 131.A N VAL 149.A O no hydrogen 3.155 N/A TYR 133.A N SER 151.A O no hydrogen 2.940 N/A VAL 134.A N ASN 138.A OD1 no hydrogen 2.769 N/A GLY 136.A N ASP 139.A OD1 no hydrogen 3.083 N/A VAL 137.A N VAL 134.A O no hydrogen 2.780 N/A ASN 138.A N VAL 134.A O no hydrogen 3.246 N/A ASN 138.A ND2 THR 132.A O no hydrogen 3.185 N/A GLU 141.A N ASN 138.A O no hydrogen 2.995 N/A TYR 142.A N ASP 139.A O no hydrogen 3.327 N/A ASP 146.A N ARG 143.A O no hydrogen 2.853 N/A ILE 150.A N VAL 119.A O no hydrogen 2.895 N/A SER 151.A N GLY 131.A O no hydrogen 2.569 N/A SER 151.A OG ALA 123.A O no hydrogen 2.560 N/A ASN 152.A N ILE 121.A O no hydrogen 3.182 N/A ASN 152.A ND2 TYR 133.A O no hydrogen 3.058 N/A ALA 153.A N SER 151.A OG no hydrogen 2.953 N/A SER 154.A OG THR 157.A OG1 no hydrogen 3.246 N/A CYS 155.A SG ASN 302.A O no hydrogen 3.566 N/A THR 156.A OG1 TYR 300.A OH no hydrogen 2.738 N/A THR 157.A N SER 154.A OG no hydrogen 3.381 N/A THR 157.A OG1 SER 154.A OG no hydrogen 3.246 N/A ASN 158.A N SER 154.A O no hydrogen 2.859 N/A CYS 159.A N THR 156.A O no hydrogen 2.906 N/A CYS 159.A SG SER 279.A OG no hydrogen 3.578 N/A LEU 160.A N THR 156.A O no hydrogen 2.868 N/A ALA 161.A N THR 157.A O no hydrogen 2.865 N/A ALA 164.A N LEU 160.A O no hydrogen 2.961 N/A LYS 165.A N ALA 161.A O no hydrogen 2.830 N/A VAL 166.A N PRO 162.A O no hydrogen 3.074 N/A LEU 167.A N VAL 163.A O no hydrogen 2.885 N/A HIS 168.A N ALA 164.A O no hydrogen 2.750 N/A HIS 168.A NE2 GLU 209.A OE1 no hydrogen 2.998 N/A ASP 169.A N LYS 165.A O no hydrogen 2.755 N/A ASN 170.A N VAL 166.A O no hydrogen 2.813 N/A ASN 170.A ND2 VAL 166.A O no hydrogen 2.644 N/A PHE 171.A N LEU 167.A O no hydrogen 2.719 N/A GLY 172.A N LEU 167.A O no hydrogen 3.312 N/A ILE 173.A N HIS 168.A ND1 no hydrogen 2.893 N/A ILE 174.A N GLN 234.A O no hydrogen 3.014 N/A LYS 175.A NZ GLN 234.A OE1 no hydrogen 2.448 N/A GLY 176.A N LYS 213.A O no hydrogen 2.866 N/A THR 177.A N VAL 232.A O no hydrogen 2.844 N/A THR 177.A OG1 ASN 215.A O no hydrogen 3.310 N/A MET 178.A N ASN 215.A O no hydrogen 2.790 N/A THR 179.A N ASP 230.A O no hydrogen 2.984 N/A THR 180.A N ILE 217.A O no hydrogen 2.994 N/A THR 180.A OG1 VAL 228.A O no hydrogen 3.445 N/A THR 180.A OG1 TYR 300.A OH no hydrogen 3.320 N/A THR 181.A N VAL 228.A O no hydrogen 3.051 N/A HIS 182.A N LEU 219.A O no hydrogen 3.033 N/A SER 183.A N SER 227.A OG no hydrogen 3.130 N/A SER 183.A OG ASN 225.A O no hydrogen 2.518 N/A SER 183.A OG VAL 226.A O no hydrogen 3.420 N/A TYR 184.A OH PRO 222.A O no hydrogen 3.326 N/A VAL 190.A N ALA 187.A O no hydrogen 3.233 N/A ASN 191.A ND2 ALA 187.A O no hydrogen 2.718 N/A VAL 193.A N ARG 220.A O no hydrogen 2.734 N/A THR 195.A N ALA 218.A O no hydrogen 2.900 N/A ALA 202.A N GLY 198.A O no hydrogen 2.635 N/A VAL 203.A N ALA 199.A O no hydrogen 3.169 N/A ALA 204.A N LYS 201.A O no hydrogen 2.734 N/A LEU 205.A N ALA 202.A O no hydrogen 2.820 N/A LEU 210.A N ILE 207.A O no hydrogen 2.799 N/A LYS 211.A N PRO 208.A O no hydrogen 2.946 N/A LYS 213.A N LEU 210.A O no hydrogen 2.919 N/A LYS 213.A NZ ILE 173.A O no hydrogen 2.789 N/A ILE 217.A N MET 178.A O no hydrogen 3.037 N/A ALA 218.A N THR 195.A O no hydrogen 3.005 N/A LEU 219.A N THR 180.A O no hydrogen 2.795 N/A ARG 220.A N VAL 193.A O no hydrogen 2.697 N/A VAL 221.A N HIS 182.A O no hydrogen 3.080 N/A SER 227.A N TYR 300.A O no hydrogen 2.793 N/A SER 227.A OG ASN 302.A OD1 no hydrogen 2.735 N/A VAL 228.A N THR 181.A O no hydrogen 3.264 N/A VAL 229.A N ALA 298.A O no hydrogen 2.705 N/A ASP 230.A N THR 179.A O no hydrogen 2.970 N/A LEU 231.A N VAL 296.A O no hydrogen 2.763 N/A VAL 232.A N THR 177.A O no hydrogen 2.871 N/A VAL 233.A N VAL 294.A O no hydrogen 2.668 N/A GLN 234.A N LYS 175.A O no hydrogen 2.981 N/A VAL 235.A N ASP 292.A O no hydrogen 2.987 N/A GLU 236.A N PHE 171.A O no hydrogen 2.992 N/A GLU 236.A N GLY 172.A O no hydrogen 2.950 N/A LYS 237.A N PHE 171.A O no hydrogen 3.090 N/A THR 239.A N GLY 291.A O no hydrogen 2.587 N/A GLN 243.A N ILE 240.A O no hydrogen 2.672 N/A VAL 244.A N ILE 240.A O no hydrogen 3.081 N/A VAL 244.A N THR 241.A O no hydrogen 3.144 N/A ASN 245.A N THR 241.A O no hydrogen 3.135 N/A ASN 245.A ND2 THR 286.A OG1 no hydrogen 2.489 N/A GLU 246.A N GLU 242.A O no hydrogen 3.136 N/A VAL 247.A N GLN 243.A O no hydrogen 3.210 N/A LEU 248.A N VAL 244.A O no hydrogen 3.319 N/A GLN 249.A N ASN 245.A O no hydrogen 3.101 N/A LYS 250.A N GLU 246.A O no hydrogen 3.064 N/A ALA 251.A N VAL 247.A O no hydrogen 2.964 N/A SER 252.A N LEU 248.A O no hydrogen 3.157 N/A SER 252.A OG GLN 249.A O no hydrogen 2.724 N/A GLN 253.A N LYS 250.A O no hydrogen 2.886 N/A THR 254.A N ALA 251.A O no hydrogen 3.183 N/A THR 254.A OG1 LYS 250.A O no hydrogen 2.902 N/A MET 256.A N ALA 251.A O no hydrogen 2.714 N/A LYS 257.A N THR 254.A O no hydrogen 2.613 N/A ILE 259.A N MET 256.A O no hydrogen 2.938 N/A ILE 260.A N MET 256.A O no hydrogen 2.917 N/A LYS 261.A N SER 279.A O no hydrogen 2.934 N/A SER 263.A N VAL 281.A O no hydrogen 2.995 N/A VAL 268.A N ASP 271.A OD2 no hydrogen 2.835 N/A ASP 271.A N VAL 268.A O no hydrogen 3.009 N/A PHE 272.A N SER 269.A O no hydrogen 2.799 N/A ARG 273.A N SER 270.A O no hydrogen 2.965 N/A GLY 274.A N ASP 301.A OD2 no hydrogen 2.845 N/A THR 275.A N PHE 272.A O no hydrogen 3.267 N/A THR 275.A OG1 PHE 272.A O no hydrogen 2.882 N/A GLU 277.A N GLU 277.A OE2 no hydrogen 2.737 N/A SER 278.A N ILE 259.A O no hydrogen 3.046 N/A SER 279.A OG CYS 159.A O no hydrogen 2.787 N/A ILE 280.A N TRP 299.A O no hydrogen 2.708 N/A VAL 281.A N LYS 261.A O no hydrogen 2.750 N/A ASP 282.A N ILE 297.A O no hydrogen 3.182 N/A SER 283.A N SER 263.A O no hydrogen 3.075 N/A SER 283.A OG SER 263.A O no hydrogen 3.057 N/A SER 284.A OG ASP 282.A OD2 no hydrogen 2.689 N/A LEU 285.A N ASP 282.A O no hydrogen 2.847 N/A THR 286.A N SER 283.A O no hydrogen 2.911 N/A THR 286.A OG1 SER 283.A O no hydrogen 3.028 N/A LEU 287.A N LYS 295.A O no hydrogen 3.298 N/A MET 289.A N LEU 293.A O no hydrogen 2.889 N/A ASP 292.A N MET 289.A O no hydrogen 3.276 N/A LEU 293.A N MET 289.A O no hydrogen 3.176 N/A VAL 294.A N VAL 233.A O no hydrogen 2.675 N/A LYS 295.A N LEU 287.A O no hydrogen 3.006 N/A LYS 295.A NZ ASP 230.A OD2 no hydrogen 3.398 N/A VAL 296.A N LEU 231.A O no hydrogen 2.706 N/A ALA 298.A N VAL 229.A O no hydrogen 3.054 N/A TRP 299.A N ILE 280.A O no hydrogen 2.613 N/A TRP 299.A NE1 ASP 282.A OD1 no hydrogen 3.338 N/A TYR 300.A N SER 227.A O no hydrogen 2.949 N/A TYR 300.A OH THR 180.A OG1 no hydrogen 3.320 N/A ASN 302.A ND2 ASN 225.A O no hydrogen 2.593 N/A TRP 304.A NE1 ASP 276.A OD1 no hydrogen 3.114 N/A TYR 306.A OH ALA 153.A O no hydrogen 2.698 N/A SER 307.A N GLU 303.A O no hydrogen 2.978 N/A SER 307.A OG GLU 303.A O no hydrogen 2.811 N/A GLN 308.A N TRP 304.A O no hydrogen 3.010 N/A GLN 308.A NE2 ASP 276.A OD1 no hydrogen 2.802 N/A ARG 309.A N GLY 305.A O no hydrogen 2.996 N/A ARG 309.A NE ASP 312.A OD2 no hydrogen 2.894 N/A ARG 309.A NH1 ASP 276.A O no hydrogen 2.820 N/A ARG 309.A NH1 SER 278.A OG no hydrogen 3.120 N/A ARG 309.A NH2 ASP 312.A OD2 no hydrogen 2.972 N/A VAL 310.A N TYR 306.A O no hydrogen 2.898 N/A VAL 311.A N SER 307.A O no hydrogen 3.046 N/A ASP 312.A N GLN 308.A O no hydrogen 3.035 N/A LEU 313.A N ARG 309.A O no hydrogen 3.041 N/A ALA 314.A N VAL 310.A O no hydrogen 3.005 N/A GLU 315.A N VAL 311.A O no hydrogen 2.918 N/A LEU 316.A N ASP 312.A O no hydrogen 2.956 N/A ALA 317.A N LEU 313.A O no hydrogen 2.790 N/A ALA 318.A N ALA 314.A O no hydrogen 2.883 N/A ALA 318.A N GLU 315.A O no hydrogen 3.137 N/A ARG 319.A N GLU 315.A O no hydrogen 2.913 N/A SER 321.A N ALA 318.A O no hydrogen 2.799 N/A