Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5gru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N LYS 28.A O no hydrogen 3.017 N/A VAL 2.A N ASP 52.A OD2 no hydrogen 2.955 N/A ILE 3.A N THR 30.A O no hydrogen 2.850 N/A TRP 4.A N ILE 53.A O no hydrogen 2.958 N/A TRP 4.A NE1 GLU 32.A OE1 no hydrogen 2.979 N/A ILE 5.A N GLU 32.A O no hydrogen 3.247 N/A ASN 6.A ND2 ASP 8.A OD1 no hydrogen 2.454 N/A LYS 9.A N ASN 6.A O no hydrogen 2.962 N/A TYR 11.A N LYS 9.A O no hydrogen 2.687 N/A GLY 13.A N ASP 290.A OD2 no hydrogen 2.932 N/A LEU 14.A N GLY 10.A O no hydrogen 2.870 N/A ALA 15.A N TYR 11.A O no hydrogen 2.992 N/A GLU 16.A N ASN 12.A O no hydrogen 3.212 N/A GLU 16.A N GLY 13.A O no hydrogen 3.105 N/A VAL 17.A N GLY 13.A O no hydrogen 3.376 N/A GLY 18.A N LEU 14.A O no hydrogen 3.044 N/A LYS 19.A N ALA 15.A O no hydrogen 2.890 N/A LYS 20.A N GLU 16.A O no hydrogen 3.049 N/A PHE 21.A N VAL 17.A O no hydrogen 2.916 N/A GLU 22.A N GLY 18.A O no hydrogen 3.037 N/A LYS 23.A N LYS 19.A O no hydrogen 2.989 N/A ASP 24.A N LYS 20.A O no hydrogen 3.056 N/A THR 25.A N PHE 21.A O no hydrogen 2.975 N/A THR 25.A OG1 PHE 21.A O no hydrogen 2.767 N/A GLY 26.A N GLU 22.A O no hydrogen 2.791 N/A ILE 27.A N THR 25.A OG1 no hydrogen 3.152 N/A THR 30.A N LEU 1.A O no hydrogen 2.810 N/A THR 30.A OG1 LEU 1.A O no hydrogen 3.410 N/A GLU 32.A N ILE 3.A O no hydrogen 2.850 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.505 N/A GLU 39.A N LYS 36.A O no hydrogen 2.853 N/A LYS 40.A N LYS 36.A O no hydrogen 2.933 N/A LYS 40.A NZ ASP 35.A O no hydrogen 2.642 N/A PHE 41.A N LEU 37.A O no hydrogen 2.929 N/A GLN 43.A N LYS 40.A O no hydrogen 2.897 N/A VAL 44.A N LYS 40.A O no hydrogen 3.040 N/A ALA 45.A N PHE 41.A O no hydrogen 2.846 N/A ALA 46.A N PRO 42.A O no hydrogen 3.394 N/A GLY 48.A N ALA 45.A O no hydrogen 2.990 N/A ASP 49.A N VAL 44.A O no hydrogen 2.788 N/A ASP 52.A N VAL 2.A O no hydrogen 2.738 N/A ILE 53.A N VAL 2.A O no hydrogen 3.255 N/A ILE 54.A N GLY 259.A O no hydrogen 2.888 N/A PHE 55.A N TRP 4.A O no hydrogen 2.784 N/A TRP 56.A N SER 257.A O no hydrogen 2.944 N/A HIS 58.A NE2 MET 324.A O no hydrogen 2.564 N/A ARG 60.A N ALA 57.A O no hydrogen 3.181 N/A ARG 60.A NH1 ARG 60.A O no hydrogen 2.981 N/A PHE 61.A N HIS 58.A O no hydrogen 2.978 N/A TYR 64.A OH GLU 38.A O no hydrogen 2.617 N/A ALA 65.A N PHE 61.A O no hydrogen 2.701 N/A GLN 66.A N GLY 62.A O no hydrogen 2.922 N/A SER 67.A N GLY 63.A O no hydrogen 3.157 N/A SER 67.A OG GLY 63.A O no hydrogen 3.505 N/A GLY 68.A N ALA 65.A O no hydrogen 2.865 N/A LEU 69.A N TYR 64.A O no hydrogen 2.964 N/A ALA 71.A N ILE 260.A O no hydrogen 2.795 N/A ILE 73.A N LEU 97.A O no hydrogen 2.998 N/A GLN 80.A N ASP 76.A O no hydrogen 2.976 N/A GLN 80.A NE2 PRO 75.A O no hydrogen 3.188 N/A ASP 81.A N LYS 77.A O no hydrogen 3.132 N/A LYS 82.A N PHE 79.A O no hydrogen 2.822 N/A LEU 83.A N GLN 80.A O no hydrogen 3.060 N/A TYR 84.A N ALA 297.A O no hydrogen 3.040 N/A THR 87.A N TYR 84.A O no hydrogen 3.002 N/A THR 87.A OG1 TYR 84.A O no hydrogen 2.787 N/A TRP 88.A N PRO 85.A O no hydrogen 3.142 N/A TRP 88.A NE1 GLN 80.A O no hydrogen 2.911 N/A ASP 89.A N PHE 86.A O no hydrogen 3.083 N/A ALA 90.A N THR 87.A O no hydrogen 3.072 N/A VAL 91.A N TRP 88.A O no hydrogen 3.485 N/A TYR 93.A N LYS 96.A O no hydrogen 2.905 N/A TYR 93.A OH GLN 66.A OE1 no hydrogen 2.563 N/A LYS 96.A N TYR 93.A O no hydrogen 3.190 N/A ILE 98.A N VAL 91.A O no hydrogen 2.966 N/A TYR 100.A N ALA 258.A O no hydrogen 2.776 N/A TYR 100.A OH GLU 275.A OE2 no hydrogen 2.596 N/A ILE 102.A N LEU 256.A O no hydrogen 2.696 N/A ALA 103.A N LEU 256.A O no hydrogen 3.204 N/A VAL 104.A N ALA 295.A O no hydrogen 2.622 N/A GLU 105.A N GLY 254.A O no hydrogen 2.890 N/A SER 108.A N ASN 221.A O no hydrogen 3.049 N/A LEU 109.A N THR 239.A O no hydrogen 3.102 N/A ILE 110.A N THR 219.A O no hydrogen 2.908 N/A TYR 111.A N GLY 237.A O no hydrogen 3.047 N/A ASN 112.A N ALA 217.A O no hydrogen 2.761 N/A LYS 113.A N ASN 235.A O no hydrogen 2.829 N/A ASP 114.A N ASN 112.A OD1 no hydrogen 2.908 N/A LEU 115.A N ASN 112.A OD1 no hydrogen 3.230 N/A LEU 116.A N ASN 112.A O no hydrogen 2.900 N/A THR 122.A N GLU 125.A OE1 no hydrogen 2.901 N/A THR 122.A OG1 GLU 125.A OE1 no hydrogen 2.686 N/A TRP 123.A N THR 243.A O no hydrogen 2.757 N/A TRP 123.A NE1 SER 249.A OG no hydrogen 3.035 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.686 N/A GLU 125.A N THR 122.A O no hydrogen 3.252 N/A ILE 126.A N TRP 123.A O no hydrogen 3.157 N/A LEU 129.A N GLU 125.A O no hydrogen 3.215 N/A ASP 130.A N ILE 126.A O no hydrogen 2.772 N/A LYS 131.A N PRO 127.A O no hydrogen 3.046 N/A GLU 132.A N ALA 128.A O no hydrogen 3.172 N/A LEU 133.A N LEU 129.A O no hydrogen 2.987 N/A LYS 134.A N ASP 130.A O no hydrogen 2.685 N/A LYS 134.A NZ ASP 130.A OD1 no hydrogen 3.318 N/A LYS 134.A NZ ASP 130.A OD2 no hydrogen 2.717 N/A ALA 135.A N LYS 131.A O no hydrogen 3.356 N/A LYS 136.A N LEU 133.A O no hydrogen 2.843 N/A GLY 137.A N LYS 134.A O no hydrogen 3.014 N/A LYS 138.A N LEU 133.A O no hydrogen 2.889 N/A LYS 138.A NZ GLY 214.A O no hydrogen 3.413 N/A SER 139.A N GLU 215.A O no hydrogen 3.217 N/A SER 139.A OG THR 216.A OG1 no hydrogen 2.865 N/A ALA 140.A N ASP 130.A OD1 no hydrogen 2.907 N/A MET 142.A N MET 218.A O no hydrogen 3.057 N/A LEU 145.A N THR 202.A O no hydrogen 2.953 N/A GLN 146.A N ASN 144.A OD1 no hydrogen 2.976 N/A GLN 146.A NE2 ALA 200.A O no hydrogen 2.997 N/A GLN 146.A NE2 THR 202.A O no hydrogen 2.871 N/A PHE 150.A N GLU 147.A O no hydrogen 2.926 N/A THR 151.A N PRO 148.A O no hydrogen 3.194 N/A THR 151.A OG1 PRO 148.A O no hydrogen 3.442 N/A TRP 152.A N PRO 148.A O no hydrogen 2.863 N/A TRP 152.A NE1 GLU 322.A OE1 no hydrogen 2.952 N/A ILE 155.A N THR 151.A O no hydrogen 3.272 N/A ALA 156.A N TRP 152.A O no hydrogen 2.707 N/A ALA 157.A N LEU 154.A O no hydrogen 3.247 N/A GLY 159.A N ALA 156.A O no hydrogen 2.944 N/A TYR 161.A N GLY 176.A O no hydrogen 3.015 N/A TYR 161.A OH ASP 174.A OD1 no hydrogen 2.550 N/A ALA 162.A N GLU 322.A OE2 no hydrogen 2.899 N/A LYS 164.A N ASP 174.A O no hydrogen 2.854 N/A LYS 164.A NZ TYR 161.A OH no hydrogen 3.367 N/A LYS 164.A NZ ASP 174.A OD2 no hydrogen 3.375 N/A TYR 165.A OH ASP 89.A OD1 no hydrogen 2.798 N/A GLU 166.A N LYS 169.A O no hydrogen 3.006 N/A LYS 169.A N GLU 166.A O no hydrogen 2.835 N/A ASP 171.A N LYS 164.A O no hydrogen 2.960 N/A LYS 173.A N ASP 171.A OD1 no hydrogen 3.156 N/A ASP 174.A N ASP 171.A O no hydrogen 2.963 N/A VAL 177.A N GLN 359.A OE1 no hydrogen 3.009 N/A ASP 178.A N GLN 359.A OE1 no hydrogen 3.095 N/A ASN 179.A ND2 GLY 159.A O no hydrogen 3.199 N/A ALA 182.A N ASN 179.A OD1 no hydrogen 3.017 N/A LYS 183.A N ASN 179.A O no hydrogen 3.101 N/A ALA 184.A N ALA 180.A O no hydrogen 2.928 N/A GLY 185.A N GLY 181.A O no hydrogen 3.046 N/A LEU 186.A N ALA 182.A O no hydrogen 3.019 N/A THR 187.A N LYS 183.A O no hydrogen 2.905 N/A THR 187.A OG1 LYS 183.A O no hydrogen 2.612 N/A PHE 188.A N ALA 184.A O no hydrogen 2.982 N/A LEU 189.A N GLY 185.A O no hydrogen 3.068 N/A VAL 190.A N LEU 186.A O no hydrogen 2.757 N/A ASP 191.A N THR 187.A O no hydrogen 2.828 N/A LEU 192.A N PHE 188.A O no hydrogen 3.094 N/A ILE 193.A N LEU 189.A O no hydrogen 3.246 N/A LYS 194.A N VAL 190.A O no hydrogen 2.819 N/A LYS 194.A NZ ASP 191.A OD1 no hydrogen 3.097 N/A ASN 195.A N ASP 191.A O no hydrogen 2.856 N/A LYS 196.A N ILE 193.A O no hydrogen 2.904 N/A HIS 197.A N LEU 192.A O no hydrogen 2.851 N/A HIS 197.A ND1 ASP 130.A OD2 no hydrogen 2.667 N/A MET 198.A N LEU 192.A O no hydrogen 3.132 N/A ASP 201.A N ASN 199.A OD1 no hydrogen 2.850 N/A THR 202.A N ASN 199.A O no hydrogen 3.002 N/A THR 202.A OG1 ASN 199.A O no hydrogen 3.175 N/A TYR 204.A OH ASN 221.A OD1 no hydrogen 3.360 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 3.205 N/A ILE 206.A N ASP 203.A OD1 no hydrogen 2.815 N/A ALA 207.A N ASP 203.A O no hydrogen 3.027 N/A GLU 208.A N TYR 204.A O no hydrogen 2.904 N/A ALA 209.A N SER 205.A O no hydrogen 3.010 N/A ALA 210.A N ILE 206.A O no hydrogen 3.117 N/A PHE 211.A N ALA 207.A O no hydrogen 2.956 N/A ASN 212.A N GLU 208.A O no hydrogen 2.913 N/A LYS 213.A N ALA 209.A O no hydrogen 3.035 N/A GLY 214.A N PHE 211.A O no hydrogen 3.064 N/A GLU 215.A N ALA 210.A O no hydrogen 2.862 N/A THR 216.A OG1 SER 139.A O no hydrogen 3.358 N/A THR 216.A OG1 SER 139.A OG no hydrogen 2.865 N/A THR 216.A OG1 MET 218.A O no hydrogen 3.542 N/A ALA 217.A N SER 139.A O no hydrogen 2.944 N/A THR 219.A N ILE 110.A O no hydrogen 2.812 N/A THR 219.A OG1 MET 142.A O no hydrogen 2.686 N/A ASN 221.A N SER 108.A O no hydrogen 3.286 N/A ASN 221.A ND2 TYR 204.A OH no hydrogen 3.209 N/A GLY 222.A N ASN 221.A OD1 no hydrogen 2.852 N/A ALA 225.A N GLY 222.A O no hydrogen 2.990 N/A TRP 226.A N PRO 223.A O no hydrogen 3.185 N/A ASN 228.A ND2 GLU 208.A OE2 no hydrogen 3.132 N/A ILE 229.A N ALA 225.A O no hydrogen 3.493 N/A ASP 230.A N TRP 226.A O no hydrogen 2.861 N/A THR 231.A N SER 227.A O no hydrogen 3.155 N/A THR 231.A OG1 SER 227.A O no hydrogen 3.167 N/A SER 232.A N ASN 228.A O no hydrogen 3.100 N/A SER 232.A N ILE 229.A O no hydrogen 2.961 N/A SER 232.A OG ASN 212.A O no hydrogen 3.411 N/A SER 232.A OG ILE 229.A O no hydrogen 2.880 N/A LYS 233.A N ASP 230.A O no hydrogen 3.443 N/A VAL 234.A N SER 232.A OG no hydrogen 3.339 N/A ASN 235.A ND2 ASP 114.A OD1 no hydrogen 3.274 N/A TYR 236.A OH ASP 230.A OD1 no hydrogen 2.653 N/A GLY 237.A N TYR 111.A O no hydrogen 2.887 N/A THR 239.A N LEU 109.A O no hydrogen 2.832 N/A LEU 241.A N ASN 317.A OD1 no hydrogen 2.829 N/A THR 243.A N LYS 121.A O no hydrogen 2.780 N/A THR 243.A OG1 LYS 121.A O no hydrogen 3.250 N/A PHE 244.A N GLN 247.A O no hydrogen 2.710 N/A LYS 245.A N GLU 124.A OE2 no hydrogen 2.868 N/A LYS 245.A NZ ASP 158.A OD2 no hydrogen 2.899 N/A GLN 247.A N PHE 244.A O no hydrogen 2.946 N/A SER 249.A OG PRO 242.A O no hydrogen 2.591 N/A LYS 250.A N PRO 153.A O no hydrogen 3.150 N/A VAL 253.A N GLU 322.A O no hydrogen 2.863 N/A GLY 254.A N GLU 105.A O no hydrogen 2.997 N/A VAL 255.A N HIS 58.A ND1 no hydrogen 3.078 N/A SER 257.A N TRP 56.A O no hydrogen 2.833 N/A SER 257.A OG VAL 255.A O no hydrogen 2.896 N/A ALA 258.A N TYR 100.A O no hydrogen 2.846 N/A GLY 259.A N ILE 54.A O no hydrogen 2.873 N/A ASN 261.A N ASP 52.A O no hydrogen 2.819 N/A ASN 261.A ND2 ASP 49.A O no hydrogen 3.022 N/A ASN 261.A ND2 PRO 51.A O no hydrogen 2.802 N/A ALA 262.A N LEU 69.A O no hydrogen 2.803 N/A ALA 263.A N ASN 261.A OD1 no hydrogen 2.986 N/A SER 264.A N ASN 261.A O no hydrogen 2.979 N/A SER 264.A OG ASP 52.A OD1 no hydrogen 2.407 N/A ASN 266.A N SER 264.A OG no hydrogen 2.947 N/A LYS 267.A NZ ALA 262.A O no hydrogen 2.689 N/A LYS 267.A NZ SER 264.A O no hydrogen 2.696 N/A ALA 270.A N ASN 266.A O no hydrogen 2.877 N/A LYS 271.A N LYS 267.A O no hydrogen 3.017 N/A LYS 271.A NZ THR 74.A O no hydrogen 2.828 N/A LYS 271.A NZ THR 74.A OG1 no hydrogen 3.266 N/A LYS 271.A NZ GLU 275.A OE2 no hydrogen 2.898 N/A GLU 272.A N GLU 268.A O no hydrogen 3.188 N/A PHE 273.A N LEU 269.A O no hydrogen 2.903 N/A LEU 274.A N ALA 270.A O no hydrogen 3.013 N/A GLU 275.A N LYS 271.A O no hydrogen 2.927 N/A ASN 276.A N GLU 272.A O no hydrogen 2.884 N/A TYR 277.A N PHE 273.A O no hydrogen 2.966 N/A TYR 277.A OH ASP 24.A OD2 no hydrogen 3.078 N/A LEU 278.A N PHE 273.A O no hydrogen 2.841 N/A LEU 279.A N LEU 274.A O no hydrogen 2.846 N/A THR 280.A N LEU 278.A O no hydrogen 2.741 N/A THR 280.A OG1 TYR 277.A O no hydrogen 3.144 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.755 N/A GLY 283.A N THR 280.A OG1 no hydrogen 2.952 N/A LEU 284.A N THR 280.A O no hydrogen 2.955 N/A GLU 285.A N ASP 281.A O no hydrogen 3.132 N/A ALA 286.A N GLU 282.A O no hydrogen 3.159 N/A VAL 287.A N GLY 283.A O no hydrogen 3.207 N/A ASN 288.A N LEU 284.A O no hydrogen 2.745 N/A LYS 289.A N GLU 285.A O no hydrogen 2.784 N/A ASP 290.A N VAL 287.A O no hydrogen 3.144 N/A LYS 291.A N VAL 287.A O no hydrogen 3.159 N/A LYS 291.A NZ ASP 290.A OD1 no hydrogen 3.054 N/A LEU 293.A N ASN 288.A OD1 no hydrogen 2.724 N/A VAL 296.A N GLU 302.A OE1 no hydrogen 3.086 N/A ALA 297.A N ILE 102.A O no hydrogen 2.975 N/A LYS 299.A N LYS 82.A O no hydrogen 2.939 N/A LYS 299.A NZ ASP 81.A O no hydrogen 2.973 N/A SER 300.A OG ASP 281.A OD1 no hydrogen 2.534 N/A GLU 302.A N LEU 298.A O no hydrogen 2.917 N/A GLU 303.A N LYS 299.A O no hydrogen 3.043 N/A GLU 304.A N TYR 301.A O no hydrogen 3.093 N/A LEU 305.A N TYR 301.A O no hydrogen 3.031 N/A ALA 306.A N GLU 302.A O no hydrogen 2.830 N/A LYS 307.A N GLU 304.A O no hydrogen 3.202 N/A ASP 308.A N LEU 305.A O no hydrogen 2.924 N/A ARG 310.A N ASP 308.A OD1 no hydrogen 2.957 N/A ARG 310.A NE ASP 308.A OD1 no hydrogen 3.233 N/A ARG 310.A NE ASP 308.A OD2 no hydrogen 3.162 N/A ARG 310.A NH1 TYR 236.A OH no hydrogen 2.991 N/A ARG 310.A NH2 ASP 308.A OD2 no hydrogen 2.733 N/A ALA 312.A N ASP 308.A O no hydrogen 3.095 N/A ALA 313.A N PRO 309.A O no hydrogen 2.811 N/A THR 314.A N ARG 310.A O no hydrogen 2.988 N/A THR 314.A OG1 ARG 310.A O no hydrogen 3.122 N/A MET 315.A N ILE 311.A O no hydrogen 2.953 N/A GLU 316.A N ALA 312.A O no hydrogen 2.880 N/A ASN 317.A N ALA 313.A O no hydrogen 2.897 N/A ASN 317.A ND2 SER 108.A OG no hydrogen 2.712 N/A ASN 317.A ND2 THR 239.A O no hydrogen 3.238 N/A ALA 318.A N THR 314.A O no hydrogen 2.943 N/A GLN 319.A N MET 315.A O no hydrogen 2.816 N/A LYS 320.A N GLU 316.A O no hydrogen 3.205 N/A LYS 320.A NZ GLU 316.A OE2 no hydrogen 3.077 N/A GLY 321.A N ALA 318.A O no hydrogen 3.099 N/A GLU 322.A N PRO 251.A O no hydrogen 2.854 N/A MET 324.A N VAL 253.A O no hydrogen 3.090 N/A ASN 326.A ND2 ARG 92.A O no hydrogen 2.824 N/A GLN 329.A N GLN 329.A OE1 no hydrogen 2.638 N/A MET 330.A N ILE 327.A O no hydrogen 3.135 N/A SER 331.A N PRO 328.A O no hydrogen 3.261 N/A PHE 333.A N GLN 329.A O no hydrogen 3.369 N/A TRP 334.A N MET 330.A O no hydrogen 2.930 N/A TYR 335.A N SER 331.A O no hydrogen 3.314 N/A ALA 336.A N ALA 332.A O no hydrogen 2.954 N/A VAL 337.A N PHE 333.A O no hydrogen 2.913 N/A ARG 338.A N TRP 334.A O no hydrogen 2.931 N/A THR 339.A N TYR 335.A O no hydrogen 3.171 N/A THR 339.A OG1 TYR 335.A O no hydrogen 3.167 N/A ALA 340.A N ALA 336.A O no hydrogen 2.982 N/A VAL 341.A N VAL 337.A O no hydrogen 3.057 N/A ILE 342.A N ARG 338.A O no hydrogen 3.193 N/A ASN 343.A N THR 339.A O no hydrogen 2.905 N/A ASN 343.A ND2 GLN 349.A OE1 no hydrogen 3.094 N/A ALA 344.A N ALA 340.A O no hydrogen 2.880 N/A ALA 345.A N VAL 341.A O no hydrogen 2.840 N/A SER 346.A N ILE 342.A O no hydrogen 2.912 N/A SER 346.A OG ILE 342.A O no hydrogen 2.976 N/A SER 346.A OG ASN 343.A O no hydrogen 3.258 N/A GLY 347.A N ASN 343.A O no hydrogen 3.136 N/A ARG 348.A NH1 ASN 343.A OD1 no hydrogen 3.480 N/A GLN 349.A N ASN 343.A O no hydrogen 3.339 N/A GLN 349.A NE2 ASP 357.A OD2 no hydrogen 3.043 N/A THR 350.A N GLU 353.A OE1 no hydrogen 3.202 N/A GLU 353.A N THR 350.A OG1 no hydrogen 2.991 N/A ALA 354.A N THR 350.A O no hydrogen 2.840 N/A LEU 355.A N VAL 351.A O no hydrogen 3.056 N/A LYS 356.A N ASP 352.A O no hydrogen 3.151 N/A ASP 357.A N GLU 353.A O no hydrogen 3.028 N/A ALA 358.A N ALA 354.A O no hydrogen 3.149 N/A GLN 359.A N LEU 355.A O no hydrogen 2.954 N/A GLN 359.A NE2 VAL 175.A O no hydrogen 2.789 N/A THR 360.A N LYS 356.A O no hydrogen 3.341 N/A THR 360.A OG1 LYS 356.A O no hydrogen 3.215 N/A