Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 87.A O no hydrogen 3.010 N/A TRP 4.A N VAL 89.A O no hydrogen 2.834 N/A GLY 6.A N VAL 91.A O no hydrogen 2.850 N/A THR 7.A N GLU 97.A OE2 no hydrogen 2.868 N/A THR 7.A OG1 GLU 97.A OE1 no hydrogen 2.622 N/A THR 7.A OG1 GLU 97.A OE2 no hydrogen 3.512 N/A ALA 9.A N GLY 6.A O no hydrogen 3.058 N/A VAL 10.A N THR 7.A O no hydrogen 3.064 N/A LEU 14.A N PRO 11.A O no hydrogen 3.248 N/A SER 17.A N HIS 116.A O no hydrogen 3.319 N/A SER 17.A OG LEU 115.A O no hydrogen 2.781 N/A ALA 18.A N LYS 48.A O no hydrogen 2.948 N/A VAL 19.A N HIS 119.A O no hydrogen 2.832 N/A THR 20.A N ILE 50.A O no hydrogen 2.897 N/A THR 20.A OG1 VAL 121.A O no hydrogen 2.847 N/A GLY 22.A N VAL 52.A O no hydrogen 2.953 N/A VAL 27.A N PHE 24.A O no hydrogen 3.137 N/A HIS 28.A N HIS 31.A ND1 no hydrogen 3.134 N/A ARG 29.A N ALA 182.A O no hydrogen 3.074 N/A ARG 29.A NH1 ASP 157.A OD2 no hydrogen 3.221 N/A ARG 29.A NH1 TRP 181.A O no hydrogen 3.001 N/A ARG 29.A NH2 ASP 157.A OD2 no hydrogen 2.719 N/A HIS 31.A N HIS 28.A ND1 no hydrogen 3.247 N/A GLN 32.A N HIS 28.A O no hydrogen 2.974 N/A GLN 32.A NE2 VAL 27.A O no hydrogen 2.845 N/A GLN 32.A NE2 LEU 183.A O no hydrogen 2.941 N/A LYS 33.A N ARG 29.A O no hydrogen 3.303 N/A LEU 34.A N GLY 30.A O no hydrogen 3.400 N/A ILE 35.A N HIS 31.A O no hydrogen 2.985 N/A ASN 36.A N GLN 32.A O no hydrogen 2.747 N/A ALA 37.A N LYS 33.A O no hydrogen 3.108 N/A THR 38.A N LEU 34.A O no hydrogen 3.088 N/A THR 38.A OG1 LEU 34.A O no hydrogen 2.710 N/A VAL 39.A N ILE 35.A O no hydrogen 2.875 N/A GLU 40.A N ASN 36.A O no hydrogen 3.024 N/A LYS 41.A N ALA 37.A O no hydrogen 3.170 N/A LYS 41.A NZ GLU 44.A OE1 no hydrogen 2.664 N/A ALA 42.A N THR 38.A O no hydrogen 2.968 N/A ARG 43.A N VAL 39.A O no hydrogen 2.968 N/A ARG 43.A NE GLU 40.A OE2 no hydrogen 3.269 N/A ARG 43.A NH2 GLU 40.A OE2 no hydrogen 2.865 N/A GLU 44.A N GLU 40.A O no hydrogen 3.036 N/A VAL 45.A N LYS 41.A O no hydrogen 3.159 N/A GLY 46.A N ARG 43.A O no hydrogen 3.135 N/A ALA 47.A N ALA 42.A O no hydrogen 2.741 N/A LYS 48.A N ASN 16.A O no hydrogen 3.464 N/A LYS 48.A NZ ASP 2.A OD2 no hydrogen 3.039 N/A ALA 49.A N ASP 87.A OD2 no hydrogen 2.912 N/A ILE 50.A N ALA 18.A O no hydrogen 2.835 N/A MET 51.A N GLY 88.A O no hydrogen 2.925 N/A VAL 52.A N THR 20.A O no hydrogen 2.790 N/A THR 53.A N LEU 90.A O no hydrogen 2.873 N/A THR 53.A OG1 GLY 22.A O no hydrogen 2.976 N/A THR 53.A OG1 VAL 23.A O no hydrogen 2.841 N/A PHE 54.A N THR 53.A OG1 no hydrogen 2.779 N/A ASP 55.A N ILE 92.A O no hydrogen 3.154 N/A VAL 59.A N HIS 57.A ND1 no hydrogen 3.165 N/A SER 60.A N HIS 57.A O no hydrogen 2.801 N/A SER 60.A OG HIS 57.A O no hydrogen 2.732 N/A VAL 61.A N PRO 58.A O no hydrogen 3.329 N/A PHE 62.A N VAL 59.A O no hydrogen 3.111 N/A LEU 63.A N VAL 59.A O no hydrogen 2.827 N/A ARG 66.A N LEU 63.A O no hydrogen 2.994 N/A ARG 66.A NE.A PRO 64.A O no hydrogen 3.024 N/A ARG 66.A NH2.A PRO 64.A O no hydrogen 2.719 N/A GLY 70.A N THR 216.A O no hydrogen 3.073 N/A ILE 71.A N ASP 25.A OD2 no hydrogen 2.949 N/A THR 72.A N ASP 25.A OD1 no hydrogen 3.243 N/A THR 72.A OG1 THR 73.A O no hydrogen 3.168 N/A GLU 76.A N THR 73.A OG1 no hydrogen 3.126 N/A ARG 77.A N THR 73.A O no hydrogen 2.998 N/A ARG 77.A NH1 THR 53.A OG1 no hydrogen 2.837 N/A ARG 77.A NH1 PHE 54.A O no hydrogen 3.127 N/A PHE 78.A N LEU 74.A O no hydrogen 2.994 N/A ALA 79.A N ALA 75.A O no hydrogen 3.097 N/A LEU 80.A N GLU 76.A O no hydrogen 2.808 N/A ALA 81.A N ARG 77.A O no hydrogen 2.889 N/A GLU 82.A N PHE 78.A O no hydrogen 2.958 N/A SER 83.A N ALA 79.A O no hydrogen 3.040 N/A SER 83.A OG LEU 80.A O no hydrogen 2.693 N/A PHE 84.A N LEU 80.A O no hydrogen 3.193 N/A PHE 84.A N ALA 81.A O no hydrogen 3.234 N/A GLY 85.A N GLU 82.A O no hydrogen 2.983 N/A ILE 86.A N ALA 81.A O no hydrogen 3.105 N/A ASP 87.A N ALA 49.A O no hydrogen 2.858 N/A GLY 88.A N ALA 49.A O no hydrogen 3.297 N/A VAL 89.A N ASP 2.A O no hydrogen 2.918 N/A LEU 90.A N MET 51.A O no hydrogen 2.797 N/A VAL 91.A N TRP 4.A O no hydrogen 2.827 N/A ILE 92.A N THR 53.A O no hydrogen 2.851 N/A THR 95.A N ASP 93.A OD1 no hydrogen 2.905 N/A THR 95.A OG1 ASP 93.A OD1 no hydrogen 2.883 N/A THR 95.A OG1 ASP 93.A OD2 no hydrogen 3.284 N/A ARG 96.A N ASP 93.A O no hydrogen 2.805 N/A GLU 97.A N ASP 93.A O no hydrogen 3.096 N/A SER 99.A OG PHE 94.A O no hydrogen 2.983 N/A SER 102.A OG GLU 104.A OE1 no hydrogen 3.344 N/A LYS 105.A N SER 102.A OG no hydrogen 3.121 N/A TYR 106.A N SER 102.A O no hydrogen 2.759 N/A VAL 107.A N PRO 103.A O no hydrogen 3.116 N/A GLU 108.A N GLU 104.A O no hydrogen 3.060 N/A PHE 109.A N LYS 105.A O no hydrogen 2.897 N/A LEU 110.A N TYR 106.A O no hydrogen 2.877 N/A LEU 111.A N VAL 107.A O no hydrogen 3.008 N/A GLU 112.A N VAL 107.A O no hydrogen 3.207 N/A ASP 113.A N GLU 108.A O no hydrogen 2.915 N/A THR 114.A N PHE 109.A O no hydrogen 3.043 N/A THR 114.A OG1 PHE 109.A O no hydrogen 2.680 N/A LEU 115.A N LEU 110.A O no hydrogen 3.143 N/A HIS 116.A N GLU 112.A O no hydrogen 2.978 N/A ALA 117.A N LEU 111.A O no hydrogen 2.878 N/A SER 118.A N SER 17.A O no hydrogen 2.898 N/A SER 118.A OG ASN 16.A OD1 no hydrogen 2.921 N/A SER 118.A OG SER 17.A O no hydrogen 3.433 N/A HIS 119.A ND1 THR 148.A OG1 no hydrogen 2.632 N/A VAL 120.A N THR 148.A O no hydrogen 3.034 N/A VAL 121.A N VAL 19.A O no hydrogen 2.686 N/A VAL 122.A N ASP 150.A O no hydrogen 3.115 N/A ALA 124.A N ILE 152.A O no hydrogen 2.970 N/A PHE 126.A N GLY 123.A O no hydrogen 3.059 N/A PHE 128.A N GLY 134.A O no hydrogen 3.015 N/A GLU 130.A N THR 101.A O no hydrogen 2.809 N/A ALA 132.A N GLY 129.A O no hydrogen 2.995 N/A ALA 133.A N GLU 130.A O no hydrogen 3.177 N/A GLY 134.A N PHE 128.A O no hydrogen 2.834 N/A THR 135.A N SER 138.A OG no hydrogen 3.140 N/A THR 135.A OG1 SER 138.A OG no hydrogen 3.075 N/A SER 138.A N THR 135.A OG1 no hydrogen 3.107 N/A SER 138.A OG THR 135.A OG1 no hydrogen 3.075 N/A LEU 139.A N THR 135.A O no hydrogen 2.957 N/A ARG 140.A N ALA 136.A O no hydrogen 3.264 N/A GLN 141.A N ASP 137.A O no hydrogen 3.237 N/A ILE 142.A N SER 138.A O no hydrogen 2.779 N/A CYS 143.A N LEU 139.A O no hydrogen 2.964 N/A GLN 144.A N GLN 141.A O no hydrogen 3.418 N/A ARG 146.A N GLN 144.A O no hydrogen 2.709 N/A ARG 146.A NE GLU 112.A OE2 no hydrogen 2.805 N/A ARG 146.A NH2 GLU 112.A OE1 no hydrogen 3.158 N/A ARG 146.A NH2 GLU 112.A OE2 no hydrogen 3.218 N/A LEU 147.A N CYS 143.A O no hydrogen 3.497 N/A THR 148.A N SER 118.A O no hydrogen 3.278 N/A THR 148.A OG1 SER 118.A O no hydrogen 3.278 N/A THR 148.A OG1 HIS 119.A ND1 no hydrogen 2.632 N/A ASP 150.A N VAL 120.A O no hydrogen 2.970 N/A ILE 152.A N VAL 122.A O no hydrogen 2.896 N/A ASP 157.A N VAL 160.A O no hydrogen 2.972 N/A VAL 160.A N ASP 157.A O no hydrogen 2.898 N/A ARG 161.A NE ASP 156.A OD1 no hydrogen 2.801 N/A ILE 162.A N LEU 155.A O no hydrogen 2.796 N/A SER 163.A N THR 166.A OG1 no hydrogen 2.923 N/A SER 163.A OG THR 166.A OG1 no hydrogen 3.283 N/A SER 164.A OG ASP 25.A O no hydrogen 2.696 N/A THR 166.A N SER 163.A OG no hydrogen 3.092 N/A THR 166.A OG1 ARG 161.A O no hydrogen 2.726 N/A THR 166.A OG1 SER 163.A O no hydrogen 2.914 N/A THR 166.A OG1 SER 163.A OG no hydrogen 3.283 N/A VAL 167.A N SER 163.A O no hydrogen 3.102 N/A ARG 168.A N SER 164.A O no hydrogen 2.950 N/A ARG 168.A NE LEU 69.A O no hydrogen 2.697 N/A ARG 168.A NH2 ASP 25.A OD2 no hydrogen 2.708 N/A GLU 169.A N THR 165.A O no hydrogen 3.009 N/A PHE 170.A N THR 166.A O no hydrogen 2.980 N/A LEU 171.A N VAL 167.A O no hydrogen 3.019 N/A SER 172.A N ARG 168.A O no hydrogen 2.989 N/A GLU 173.A N GLU 169.A O no hydrogen 3.104 N/A GLU 173.A N PHE 170.A O no hydrogen 3.114 N/A GLY 174.A N LEU 171.A O no hydrogen 2.929 N/A ASP 175.A N PHE 170.A O no hydrogen 2.914 N/A ARG 178.A N ASP 175.A OD1 no hydrogen 3.207 N/A ARG 178.A NH1 GLU 158.A OE1 no hydrogen 3.326 N/A ARG 178.A NH2 GLU 158.A OE1 no hydrogen 2.679 N/A ALA 179.A N ASP 175.A O no hydrogen 3.084 N/A ASN 180.A N VAL 176.A O no hydrogen 2.780 N/A ASN 180.A ND2 PHE 284.A O no hydrogen 2.807 N/A TRP 181.A N ALA 177.A O no hydrogen 2.941 N/A ALA 182.A N ARG 178.A O no hydrogen 2.976 N/A LEU 183.A N ALA 179.A O no hydrogen 2.906 N/A GLY 184.A N ASN 180.A O no hydrogen 2.872 N/A ARG 185.A NH1 GLY 26.A O no hydrogen 2.930 N/A ARG 185.A NH1 VAL 27.A O no hydrogen 3.361 N/A ARG 185.A NH2 GLY 26.A O no hydrogen 2.783 N/A HIS 186.A ND1 GLU 283.A OE1 no hydrogen 3.285 N/A HIS 186.A NE2 ASP 318.A OD1 no hydrogen 2.899 N/A PHE 187.A N ASN 180.A OD1 no hydrogen 2.735 N/A TYR 188.A OH GLU 76.A OE1 no hydrogen 2.600 N/A VAL 189.A N VAL 282.A O no hydrogen 3.012 N/A GLY 191.A N VAL 280.A O no hydrogen 3.079 N/A VAL 193.A N HIS 278.A O no hydrogen 2.820 N/A VAL 194.A N ASN 210.A O no hydrogen 2.915 N/A ARG 199.A NH1 GLY 198.A O no hydrogen 2.814 N/A GLY 200.A N ASP 274.A OD2 no hydrogen 2.866 N/A PHE 206.A N GLU 203.A O no hydrogen 3.417 N/A THR 208.A N SER 266.A O no hydrogen 2.852 N/A ALA 209.A N SER 266.A O no hydrogen 3.328 N/A GLN 211.A N VAL 264.A O no hydrogen 2.991 N/A GLN 211.A NE2 GLY 191.A O no hydrogen 2.947 N/A PHE 213.A N ARG 262.A O no hydrogen 2.893 N/A VAL 217.A N HIS 214.A O no hydrogen 3.096 N/A ALA 218.A N GLY 70.A O no hydrogen 3.013 N/A ALA 221.A N LEU 171.A O no hydrogen 3.094 N/A GLY 223.A N VAL 254.A O no hydrogen 2.953 N/A VAL 224.A N ARG 289.A O no hydrogen 2.778 N/A TYR 225.A N ILE 252.A O no hydrogen 2.780 N/A TYR 225.A OH ALA 221.A O no hydrogen 2.618 N/A ALA 226.A N ASP 286.A O no hydrogen 2.805 N/A GLY 227.A N ALA 250.A O no hydrogen 2.986 N/A TRP 228.A N GLU 283.A O no hydrogen 2.909 N/A TRP 228.A NE1 ASP 318.A OD2 no hydrogen 2.881 N/A LEU 229.A N TYR 248.A O no hydrogen 2.922 N/A THR 230.A N LYS 281.A O no hydrogen 2.925 N/A LEU 232.A N ASP 279.A O no hydrogen 3.007 N/A ALA 236.A N THR 234.A OG1 no hydrogen 3.124 N/A ASN 241.A N ASP 272.A O no hydrogen 3.212 N/A GLU 243.A N TYR 248.A OH no hydrogen 2.833 N/A GLU 245.A N ILE 231.A O no hydrogen 2.815 N/A ALA 247.A N THR 328.A O.A no hydrogen 2.820 N/A ALA 247.A N THR 328.A O.B no hydrogen 2.937 N/A TYR 248.A N LEU 229.A O no hydrogen 2.793 N/A ALA 249.A N PHE 330.A O no hydrogen 3.036 N/A ALA 250.A N GLY 227.A O no hydrogen 2.896 N/A ALA 251.A N PHE 267.A O no hydrogen 2.899 N/A ILE 252.A N TYR 225.A O no hydrogen 2.749 N/A SER 253.A N ASP 265.A O no hydrogen 2.842 N/A VAL 254.A N GLY 223.A O no hydrogen 2.789 N/A GLY 255.A N SER 263.A O no hydrogen 2.949 N/A THR 256.A OG1 ASP 222.A OD1 no hydrogen 2.878 N/A THR 256.A OG1 ASP 222.A OD2 no hydrogen 2.966 N/A ASN 257.A N GLN 261.A O no hydrogen 2.888 N/A ARG 262.A N PHE 213.A O no hydrogen 3.103 N/A ARG 262.A NE GLY 255.A O no hydrogen 3.420 N/A ARG 262.A NH2 PRO 220.A O no hydrogen 2.988 N/A ARG 262.A NH2 ASP 222.A OD1 no hydrogen 2.815 N/A SER 263.A N GLY 255.A O no hydrogen 3.000 N/A VAL 264.A N GLN 211.A O no hydrogen 2.848 N/A ASP 265.A N SER 253.A O no hydrogen 2.991 N/A SER 266.A N ALA 209.A O no hydrogen 2.954 N/A PHE 267.A N ALA 251.A O no hydrogen 2.864 N/A VAL 268.A N THR 208.A OG1 no hydrogen 3.016 N/A LEU 269.A N ALA 249.A O no hydrogen 2.820 N/A ARG 271.A NE ASP 270.A O no hydrogen 2.853 N/A ARG 271.A NH1 ASN 241.A O no hydrogen 2.892 N/A ARG 271.A NH2 ASP 270.A O no hydrogen 3.524 N/A ASP 272.A N ASN 241.A OD1 no hydrogen 2.961 N/A ASP 274.A N SER 239.A O no hydrogen 2.950 N/A LEU 275.A N THR 208.A O no hydrogen 3.213 N/A TYR 276.A N ASP 274.A OD1 no hydrogen 3.135 N/A GLY 277.A N VAL 193.A O no hydrogen 2.991 N/A HIS 278.A N LEU 275.A O no hydrogen 3.020 N/A HIS 278.A NE2 PRO 237.A O no hydrogen 2.980 N/A VAL 280.A N GLY 191.A O no hydrogen 2.991 N/A LYS 281.A N THR 230.A O no hydrogen 2.827 N/A VAL 282.A N VAL 189.A O no hydrogen 2.799 N/A GLU 283.A N TRP 228.A O no hydrogen 2.862 N/A PHE 284.A N PHE 187.A O no hydrogen 2.860 N/A VAL 285.A N ALA 226.A O no hydrogen 2.825 N/A ASP 286.A N ALA 226.A O no hydrogen 3.296 N/A HIS 287.A N ASP 286.A OD1 no hydrogen 2.887 N/A VAL 288.A N VAL 224.A O no hydrogen 2.755 N/A ARG 289.A N VAL 224.A O no hydrogen 3.201 N/A ARG 289.A NE ASP 307.A OD1 no hydrogen 2.889 N/A ARG 289.A NE ASP 307.A OD2 no hydrogen 3.374 N/A ARG 289.A NH1 ALA 290.A O no hydrogen 3.120 N/A ARG 289.A NH2 ASP 307.A OD2 no hydrogen 2.926 N/A ASP 295.A N GLN 299.A OE1 no hydrogen 3.007 N/A SER 296.A OG ASP 295.A OD1 no hydrogen 3.533 N/A GLN 299.A N SER 296.A OG no hydrogen 2.906 N/A LEU 300.A N SER 296.A O no hydrogen 2.985 N/A LEU 301.A N VAL 297.A O no hydrogen 2.897 N/A GLU 302.A N GLU 298.A O no hydrogen 2.995 N/A VAL 303.A N GLN 299.A O no hydrogen 3.026 N/A MET 304.A N LEU 300.A O no hydrogen 2.935 N/A ALA 305.A N LEU 301.A O no hydrogen 2.963 N/A LYS 306.A N GLU 302.A O no hydrogen 3.157 N/A ASP 307.A N VAL 303.A O no hydrogen 2.856 N/A VAL 308.A N MET 304.A O no hydrogen 3.014 N/A GLN 309.A N ALA 305.A O no hydrogen 3.005 N/A LYS 310.A N LYS 306.A O no hydrogen 3.033 N/A THR 311.A N ASP 307.A O no hydrogen 2.860 N/A THR 311.A OG1 ASP 307.A O no hydrogen 2.901 N/A ARG 312.A N VAL 308.A O no hydrogen 2.918 N/A ARG 312.A NH1 ASP 270.A OD2 no hydrogen 2.804 N/A ARG 312.A NH1 GLN 332.A O no hydrogen 2.861 N/A ARG 312.A NH2 ASP 270.A OD1 no hydrogen 3.278 N/A ARG 312.A NH2 ASP 270.A OD2 no hydrogen 3.430 N/A THR 313.A N GLN 309.A O no hydrogen 3.339 N/A THR 313.A OG1 GLN 309.A O no hydrogen 3.395 N/A LEU 314.A N LYS 310.A O no hydrogen 2.977 N/A LEU 315.A N THR 311.A O no hydrogen 2.950 N/A ALA 316.A N ARG 312.A O no hydrogen 2.936 N/A GLN 317.A N THR 313.A O no hydrogen 3.220 N/A ASP 318.A N LEU 314.A O no hydrogen 2.994 N/A VAL 319.A N LEU 315.A O no hydrogen 3.029 N/A GLN 320.A N GLN 317.A O no hydrogen 3.008 N/A ALA 321.A N GLN 317.A O no hydrogen 3.190 N/A HIS 322.A N.A ASP 318.A O no hydrogen 3.152 N/A HIS 322.A N.B ASP 318.A O no hydrogen 3.148 N/A LYS 323.A N.A ALA 321.A O no hydrogen 2.993 N/A LYS 323.A N.B GLN 320.A O no hydrogen 3.364 N/A MET 324.A N.B VAL 319.A O no hydrogen 2.990 N/A ALA 325.A N.B GLU 327.A OE1.A no hydrogen 3.309 N/A GLU 327.A N.B GLU 327.A OE1.B no hydrogen 2.831 N/A THR 328.A N.B ALA 325.A O.B no hydrogen 2.922 N/A THR 328.A OG1.B ALA 325.A O.B no hydrogen 2.615 N/A TYR 329.A N PRO 326.A O.B no hydrogen 3.098 N/A PHE 330.A N ALA 247.A O no hydrogen 2.806 N/A GLN 332.A NE2 GLU 334.A O no hydrogen 2.994 N/A