Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N PHE 16.A O no hydrogen 3.099 N/A THR 1.A OG1 GLU 214.A OE1 no hydrogen 2.670 N/A LYS 3.A N PHE 14.A O no hydrogen 2.873 N/A ILE 5.A N PHE 12.A O no hydrogen 2.753 N/A CYS 6.A SG GLN 4.A OE1.B no hydrogen 3.799 N/A PHE 7.A N ARG 10.A O no hydrogen 2.863 N/A ALA 8.A N SER 229.A O no hydrogen 2.878 N/A ARG 10.A N PHE 7.A O no hydrogen 2.881 N/A ARG 10.A NE.A ASP 9.A O no hydrogen 3.130 N/A ARG 10.A NH1.A ASP 9.A O no hydrogen 3.105 N/A PHE 12.A N ILE 5.A O no hydrogen 2.852 N/A PHE 14.A N LYS 3.A O no hydrogen 2.906 N/A ALA 15.A N VAL 161.A O no hydrogen 2.766 N/A PHE 16.A N THR 1.A O no hydrogen 2.735 N/A GLY 17.A N ALA 163.A O no hydrogen 3.058 N/A SER 23.A N VAL 20.A O no hydrogen 3.002 N/A VAL 24.A N LEU 21.A O no hydrogen 2.902 N/A SER 26.A N SER 23.A O no hydrogen 3.002 N/A SER 26.A OG SER 23.A O no hydrogen 3.362 N/A TYR 27.A N VAL 24.A O no hydrogen 2.916 N/A ILE 28.A N VAL 24.A O no hydrogen 3.130 N/A ARG 30.A NH2 GLU 25.A OE1 no hydrogen 2.480 N/A ARG 30.A NH2 LYS 58.A O no hydrogen 3.368 N/A GLU 32.A N PRO 29.A O no hydrogen 2.922 N/A ASP 34.A N ARG 94.A O no hydrogen 3.068 N/A GLN 35.A NE2 LEU 89.A O no hydrogen 3.078 N/A TYR 36.A N PRO 61.A O no hydrogen 2.854 N/A ILE 37.A N ALA 96.A O no hydrogen 2.864 N/A MET 38.A N HIS 63.A O no hydrogen 2.684 N/A ILE 39.A N VAL 98.A O no hydrogen 2.707 N/A SER 40.A N LEU 65.A O no hydrogen 3.048 N/A SER 40.A OG VAL 100.A O no hydrogen 2.521 N/A ASP 41.A N THR 105.A OG1 no hydrogen 2.978 N/A SER 42.A N PHE 67.A O no hydrogen 2.708 N/A GLY 43.A N ASP 41.A OD2 no hydrogen 3.056 N/A VAL 44.A N ASP 41.A O no hydrogen 3.153 N/A VAL 49.A N PRO 45.A O no hydrogen 3.338 N/A HIS 50.A N ASP 46.A O no hydrogen 2.931 N/A HIS 50.A ND1 ASP 46.A O no hydrogen 2.867 N/A TYR 51.A N SER 47.A O no hydrogen 3.084 N/A TYR 51.A OH GLU 22.A OE2 no hydrogen 2.660 N/A ALA 52.A N ILE 48.A O no hydrogen 2.867 N/A ALA 53.A N VAL 49.A O no hydrogen 2.900 N/A GLU 54.A N HIS 50.A O no hydrogen 3.110 N/A TYR 55.A N TYR 51.A O no hydrogen 3.352 N/A PHE 56.A N ALA 52.A O no hydrogen 2.927 N/A GLY 57.A N ALA 53.A O no hydrogen 2.779 N/A LYS 58.A N TYR 55.A O no hydrogen 3.032 N/A LEU 59.A N PHE 56.A O no hydrogen 3.099 N/A ALA 60.A N PHE 56.A O no hydrogen 3.415 N/A HIS 63.A N TYR 36.A O no hydrogen 2.872 N/A LEU 65.A N MET 38.A O no hydrogen 2.683 N/A ARG 66.A NE SER 40.A O no hydrogen 3.056 N/A ARG 66.A NH1 ASP 46.A OD1 no hydrogen 2.870 N/A ARG 66.A NH2 ASP 41.A O no hydrogen 2.955 N/A ARG 66.A NH2 VAL 44.A O no hydrogen 2.905 N/A PHE 67.A N SER 40.A O no hydrogen 3.396 N/A GLY 69.A N SER 42.A OG no hydrogen 2.940 N/A TYR 73.A N GLY 70.A O no hydrogen 3.013 N/A LYS 74.A N GLU 71.A O no hydrogen 3.148 N/A LYS 74.A NZ ASN 107.A OD1 no hydrogen 3.210 N/A LYS 74.A NZ ASN 150.A OD1 no hydrogen 2.755 N/A THR 78.A N THR 75.A OG1 no hydrogen 3.240 N/A THR 78.A OG1 TYR 73.A O no hydrogen 2.585 N/A VAL 79.A N THR 75.A O no hydrogen 3.198 N/A THR 80.A N LEU 76.A O no hydrogen 2.762 N/A THR 80.A OG1 LEU 76.A O no hydrogen 3.083 N/A ASN 81.A N SER 77.A O no hydrogen 3.113 N/A LEU 82.A N THR 78.A O no hydrogen 3.085 N/A GLN 83.A N VAL 79.A O no hydrogen 2.893 N/A GLU 84.A N THR 80.A O no hydrogen 2.964 N/A ARG 85.A N ASN 81.A O no hydrogen 3.044 N/A ARG 85.A NH1 ARG 66.A O no hydrogen 2.747 N/A ALA 86.A N LEU 82.A O no hydrogen 2.959 N/A ILE 87.A N GLN 83.A O no hydrogen 2.899 N/A ALA 88.A N GLU 84.A O no hydrogen 2.870 N/A LEU 89.A N ALA 86.A O no hydrogen 3.078 N/A GLY 90.A N ILE 87.A O no hydrogen 2.770 N/A ALA 91.A N ALA 86.A O no hydrogen 2.985 N/A ASN 92.A N THR 95.A OG1 no hydrogen 2.963 N/A ASN 92.A ND2 ASP 34.A OD2 no hydrogen 3.535 N/A ARG 94.A N ASN 92.A OD1 no hydrogen 2.978 N/A THR 95.A N ASN 92.A O no hydrogen 3.051 N/A THR 95.A OG1 GLN 35.A OE1 no hydrogen 2.797 N/A THR 95.A OG1 ASN 92.A O no hydrogen 3.381 N/A THR 95.A OG1 ASN 92.A OD1 no hydrogen 3.547 N/A ALA 96.A N GLN 35.A O no hydrogen 2.982 N/A ILE 97.A N ALA 121.A O no hydrogen 2.776 N/A VAL 98.A N ILE 37.A O no hydrogen 2.793 N/A ALA 99.A N ILE 123.A O no hydrogen 2.804 N/A VAL 100.A N ILE 39.A O no hydrogen 2.806 N/A GLY 101.A N VAL 125.A O no hydrogen 3.287 N/A THR 105.A OG1 ASP 41.A OD1 no hydrogen 2.520 N/A GLY 106.A N GLY 102.A O no hydrogen 3.051 N/A ASN 107.A N GLY 103.A O no hydrogen 2.931 N/A VAL 108.A N LEU 104.A O no hydrogen 3.125 N/A ALA 109.A N THR 105.A O no hydrogen 2.835 N/A GLY 110.A N GLY 106.A O no hydrogen 2.717 N/A VAL 111.A N ASN 107.A O no hydrogen 2.978 N/A ALA 112.A N VAL 108.A O no hydrogen 2.969 N/A ALA 113.A N ALA 109.A O no hydrogen 2.934 N/A GLY 114.A N GLY 110.A O no hydrogen 2.874 N/A MET 115.A N VAL 111.A O no hydrogen 3.323 N/A MET 115.A N ALA 112.A O no hydrogen 3.334 N/A MET 116.A N ALA 112.A O no hydrogen 3.058 N/A ARG 118.A N MET 115.A O no hydrogen 2.833 N/A GLY 119.A N MET 116.A O no hydrogen 2.787 N/A ILE 120.A N ALA 113.A O no hydrogen 2.878 N/A ILE 123.A N ILE 97.A O no hydrogen 2.804 N/A HIS 124.A N PHE 160.A O no hydrogen 2.919 N/A VAL 125.A N ALA 99.A O no hydrogen 2.818 N/A THR 127.A N GLY 101.A O no hydrogen 2.842 N/A ALA 131.A N THR 128.A OG1 no hydrogen 3.075 N/A ALA 132.A N THR 128.A O no hydrogen 3.028 N/A SER 133.A N PHE 129.A O no hydrogen 2.908 N/A SER 133.A OG PHE 129.A O no hydrogen 2.676 N/A SER 135.A N LEU 130.A O no hydrogen 3.089 N/A VAL 136.A N ALA 131.A O no hydrogen 2.952 N/A LEU 137.A N ASP 134.A O no hydrogen 2.863 N/A SER 138.A OG GLU 234.A OE2 no hydrogen 2.539 N/A GLN 141.A N PHE 154.A O no hydrogen 2.799 N/A GLN 141.A NE2 ILE 139.A O no hydrogen 3.689 N/A GLN 141.A NE2 TYR 156.A O no hydrogen 2.850 N/A VAL 143.A N VAL 152.A O no hydrogen 2.898 N/A ASN 144.A N LYS 74.A O no hydrogen 2.693 N/A ASN 144.A ND2 GLU 71.A O no hydrogen 2.933 N/A ASN 144.A ND2 GLU 71.A OE2 no hydrogen 2.868 N/A LEU 145.A N GLY 148.A O no hydrogen 2.915 N/A GLY 148.A N LEU 145.A O no hydrogen 3.013 N/A ASN 150.A N ASN 144.A OD1 no hydrogen 2.913 N/A VAL 152.A N VAL 143.A O no hydrogen 3.407 N/A PHE 154.A N GLN 141.A O no hydrogen 3.026 N/A TYR 156.A N ILE 139.A O no hydrogen 2.702 N/A TYR 156.A OH ILE 120.A O no hydrogen 2.527 N/A ARG 159.A N LEU 122.A O no hydrogen 2.855 N/A ARG 159.A NH2 GLU 32.A OE2 no hydrogen 2.797 N/A VAL 161.A N ASN 13.A O no hydrogen 2.852 N/A PHE 162.A N HIS 124.A O no hydrogen 2.785 N/A ALA 163.A N ALA 15.A O no hydrogen 2.818 N/A THR 165.A N GLY 17.A O no hydrogen 3.060 N/A ILE 167.A N ASP 164.A OD1 no hydrogen 2.866 N/A LEU 168.A N ASP 164.A O no hydrogen 2.988 N/A SER 169.A N THR 165.A O no hydrogen 2.857 N/A SER 169.A OG THR 165.A O no hydrogen 3.227 N/A SER 169.A OG ARG 166.A O no hydrogen 2.844 N/A GLU 170.A N ILE 167.A O no hydrogen 3.120 N/A SER 171.A N LEU 168.A O no hydrogen 3.009 N/A SER 171.A OG LEU 168.A O no hydrogen 2.405 N/A ARG 174.A NE GLU 263.A OE2 no hydrogen 3.005 N/A ARG 174.A NH2 GLY 258.A O no hydrogen 2.911 N/A ARG 174.A NH2 GLU 263.A OE1 no hydrogen 2.771 N/A GLN 175.A N PRO 172.A O no hydrogen 3.079 N/A VAL 176.A N PRO 172.A O no hydrogen 3.077 N/A LYS 177.A N PRO 173.A O no hydrogen 2.740 N/A LYS 177.A NZ GLY 298.A O no hydrogen 2.575 N/A ALA 178.A N ARG 174.A O no hydrogen 3.228 N/A GLY 179.A N GLN 175.A O no hydrogen 3.255 N/A MET 180.A N VAL 176.A O no hydrogen 2.799 N/A CYS 181.A N LYS 177.A O no hydrogen 2.959 N/A CYS 181.A SG LYS 177.A O no hydrogen 3.307 N/A GLU 182.A N GLY 179.A O no hydrogen 3.184 N/A LEU 183.A N GLY 179.A O no hydrogen 3.092 N/A VAL 184.A N MET 180.A O no hydrogen 2.875 N/A LYS 185.A N CYS 181.A O no hydrogen 2.858 N/A LYS 185.A NZ GLU 182.A OE2 no hydrogen 2.621 N/A LYS 185.A NZ PHE 241.A O no hydrogen 2.779 N/A ASN 186.A N GLU 182.A O no hydrogen 2.917 N/A MET 187.A N LEU 183.A O no hydrogen 3.072 N/A LEU 188.A N VAL 184.A O no hydrogen 3.066 N/A LEU 188.A N LYS 185.A O no hydrogen 2.987 N/A ILE 189.A N LYS 185.A O no hydrogen 3.043 N/A LEU 190.A N ASN 186.A O no hydrogen 3.348 N/A LYS 195.A NZ PHE 197.A O no hydrogen 3.397 N/A THR 198.A N ASP 201.A OD2 no hydrogen 3.027 N/A ASP 200.A N THR 198.A OG1 no hydrogen 3.168 N/A ASP 201.A N THR 198.A O no hydrogen 3.023 N/A LEU 202.A N GLU 199.A O no hydrogen 3.382 N/A ASN 203.A N TYR 208.A OH no hydrogen 2.953 N/A ASN 203.A ND2 VAL 207.A O no hydrogen 2.970 N/A ASN 206.A ND2 SER 204.A O no hydrogen 3.458 N/A ASN 206.A ND2 ILE 297.A O no hydrogen 2.949 N/A GLN 212.A N SER 209.A OG no hydrogen 2.980 N/A GLN 212.A NE2 GLN 212.A O no hydrogen 3.528 N/A LEU 213.A N SER 209.A O no hydrogen 3.234 N/A GLU 214.A N PRO 210.A O no hydrogen 2.929 N/A THR 215.A N LYS 211.A O no hydrogen 3.146 N/A THR 215.A OG1 LYS 211.A O no hydrogen 3.185 N/A PHE 216.A N GLN 212.A O no hydrogen 2.939 N/A ILE 217.A N LEU 213.A O no hydrogen 2.795 N/A ASN 218.A N GLU 214.A O no hydrogen 3.061 N/A PHE 219.A N THR 215.A O no hydrogen 3.138 N/A CYS 220.A N PHE 216.A O no hydrogen 2.962 N/A CYS 220.A SG PHE 216.A O no hydrogen 3.454 N/A ILE 221.A N ILE 217.A O no hydrogen 2.919 N/A SER 222.A N ASN 218.A O no hydrogen 3.049 N/A SER 222.A OG.A ASN 218.A O no hydrogen 3.315 N/A ALA 223.A N PHE 219.A O no hydrogen 2.937 N/A LYS 224.A N CYS 220.A O no hydrogen 2.811 N/A LYS 224.A NZ ASP 134.A O no hydrogen 3.104 N/A LYS 224.A NZ ASP 134.A OD1 no hydrogen 2.780 N/A LYS 224.A NZ LEU 137.A O no hydrogen 2.685 N/A MET 225.A N ILE 221.A O no hydrogen 2.975 N/A SER 226.A N SER 222.A O no hydrogen 3.131 N/A SER 226.A OG ALA 223.A O no hydrogen 2.623 N/A VAL 227.A N LYS 224.A O no hydrogen 2.920 N/A LEU 228.A N LYS 224.A O no hydrogen 2.870 N/A SER 229.A N MET 225.A O no hydrogen 3.181 N/A SER 229.A OG CYS 6.A O no hydrogen 2.707 N/A SER 229.A OG MET 225.A O no hydrogen 3.081 N/A ASP 231.A N VAL 227.A O no hydrogen 3.079 N/A GLU 234.A N ASP 231.A O no hydrogen 3.006 N/A LYS 235.A N ASP 231.A OD2 no hydrogen 3.121 N/A LYS 235.A NZ TYR 155.A OH no hydrogen 3.449 N/A LYS 236.A N ASP 231.A OD1 no hydrogen 2.788 N/A GLY 238.A N ASP 231.A OD1 no hydrogen 2.692 N/A LEU 239.A N LYS 236.A O no hydrogen 3.238 N/A ILE 240.A N LYS 237.A O no hydrogen 3.062 N/A PHE 241.A N GLY 238.A O no hydrogen 3.160 N/A GLU 242.A N LEU 239.A O no hydrogen 2.854 N/A TYR 243.A N ILE 240.A O no hydrogen 3.025 N/A HIS 245.A N GLU 242.A O no hydrogen 2.792 N/A HIS 245.A ND1 TYR 243.A O no hydrogen 2.986 N/A HIS 249.A N HIS 245.A O no hydrogen 2.757 N/A ILE 251.A N ILE 247.A O no hydrogen 2.991 N/A GLU 252.A N GLY 248.A O no hydrogen 2.890 N/A LEU 253.A N HIS 249.A O no hydrogen 3.020 N/A ALA 254.A N ALA 250.A O no hydrogen 2.866 N/A GLU 255.A N ILE 251.A O no hydrogen 2.895 N/A GLN 256.A N LEU 253.A O no hydrogen 2.976 N/A GLY 258.A N GLU 255.A O no hydrogen 2.956 N/A THR 260.A N GLU 263.A OE1 no hydrogen 2.889 N/A HIS 261.A ND1 GLU 252.A OE1 no hydrogen 2.759 N/A GLU 263.A N THR 260.A OG1 no hydrogen 3.207 N/A ALA 264.A N THR 260.A O no hydrogen 3.064 N/A ILE 265.A N HIS 261.A O no hydrogen 3.000 N/A ALA 266.A N GLY 262.A O no hydrogen 2.883 N/A VAL 267.A N GLU 263.A O no hydrogen 3.108 N/A GLY 268.A N ALA 264.A O no hydrogen 2.768 N/A MET 269.A N ILE 265.A O no hydrogen 2.774 N/A ILE 270.A N ALA 266.A O no hydrogen 3.058 N/A TYR 271.A N VAL 267.A O no hydrogen 3.036 N/A ALA 272.A N GLY 268.A O no hydrogen 3.100 N/A ALA 273.A N MET 269.A O no hydrogen 2.907 N/A LYS 274.A N ILE 270.A O no hydrogen 2.983 N/A ILE 275.A N TYR 271.A O no hydrogen 2.848 N/A ALA 276.A N ALA 272.A O no hydrogen 2.829 N/A ASN 277.A N ALA 273.A O no hydrogen 3.013 N/A ASN 277.A ND2 MET 282.A O no hydrogen 2.864 N/A ARG 278.A N LYS 274.A O no hydrogen 2.867 N/A ARG 278.A NH1 GLU 365.A OE1 no hydrogen 3.025 N/A ARG 278.A NH2 GLU 365.A OE1 no hydrogen 3.396 N/A ARG 278.A NH2 GLU 365.A OE2 no hydrogen 3.084 N/A MET 279.A N ILE 275.A O no hydrogen 2.897 N/A ASN 280.A N ASN 277.A O no hydrogen 3.233 N/A LEU 281.A N ALA 276.A O no hydrogen 2.698 N/A MET 282.A N ALA 276.A O no hydrogen 3.127 N/A VAL 287.A N PRO 283.A O no hydrogen 3.338 N/A SER 288.A N GLU 284.A O no hydrogen 2.966 N/A SER 288.A OG GLU 284.A O no hydrogen 3.286 N/A ALA 289.A N HIS 285.A O no hydrogen 2.866 N/A HIS 290.A N ASP 286.A O no hydrogen 3.335 N/A HIS 290.A N VAL 287.A O no hydrogen 2.942 N/A TYR 291.A N VAL 287.A O no hydrogen 3.389 N/A TRP 292.A N SER 288.A O no hydrogen 2.975 N/A LEU 293.A N ALA 289.A O no hydrogen 3.153 N/A LEU 294.A N HIS 290.A O no hydrogen 3.046 N/A ASN 295.A N TYR 291.A O no hydrogen 2.982 N/A GLY 298.A N ASN 295.A O no hydrogen 2.856 N/A ALA 299.A N LEU 294.A O no hydrogen 2.850 N/A ILE 303.A N ASP 302.A OD1 no hydrogen 2.646 N/A LEU 305.A N ILE 303.A O no hydrogen 3.023 N/A LYS 306.A N GLU 255.A OE1 no hydrogen 2.922 N/A LYS 306.A N GLU 255.A OE2 no hydrogen 3.023 N/A SER 307.A N GLU 255.A OE2 no hydrogen 2.939 N/A SER 307.A OG GLU 255.A OE2 no hydrogen 2.588 N/A SER 311.A N ASP 308.A OD1 no hydrogen 3.128 N/A SER 311.A OG ASP 308.A OD1 no hydrogen 3.477 N/A SER 311.A OG ASP 308.A OD2 no hydrogen 2.880 N/A ILE 312.A N ASP 308.A O no hydrogen 3.327 N/A PHE 313.A N PRO 309.A O no hydrogen 2.990 N/A HIS 314.A N ASP 310.A O no hydrogen 2.899 N/A TYR 315.A N SER 311.A O no hydrogen 3.163 N/A LEU 316.A N ILE 312.A O no hydrogen 3.260 N/A LEU 316.A N PHE 313.A O no hydrogen 3.070 N/A ILE 317.A N PHE 313.A O no hydrogen 3.145 N/A HIS 318.A N HIS 314.A O no hydrogen 3.150 N/A ARG 322.A NH1 THR 246.A OG1 no hydrogen 2.903 N/A ARG 322.A NH2 THR 246.A OG1 no hydrogen 3.196 N/A LYS 326.A NZ ILE 317.A O no hydrogen 2.821 N/A LEU 327.A N ASN 331.A O no hydrogen 2.969 N/A ASP 330.A N ASP 328.A OD2 no hydrogen 2.917 N/A ASN 331.A ND2 ASP 328.A OD2 no hydrogen 3.019 N/A LEU 332.A N VAL 354.A O no hydrogen 2.873 N/A GLY 333.A N ILE 325.A O no hydrogen 2.777 N/A MET 334.A N THR 352.A O no hydrogen 2.851 N/A SER 338.A N LYS 342.A O no hydrogen 2.816 N/A SER 338.A OG LYS 342.A O no hydrogen 3.369 N/A VAL 340.A N ASP 286.A OD1 no hydrogen 2.914 N/A GLY 341.A N LEU 188.A O no hydrogen 2.761 N/A LYS 342.A N GLY 339.A O no hydrogen 2.806 N/A ALA 344.A N LEU 336.A O no hydrogen 2.827 N/A TYR 346.A N THR 349.A O no hydrogen 2.893 N/A THR 349.A N TYR 346.A O no hydrogen 2.883 N/A LEU 351.A N THR 349.A OG1 no hydrogen 2.878 N/A THR 352.A N MET 334.A O no hydrogen 2.919 N/A VAL 354.A N LEU 332.A O no hydrogen 2.605 N/A LYS 356.A N ASP 330.A O no hydrogen 2.807 N/A LYS 356.A NZ GLU 329.A O no hydrogen 2.671 N/A LEU 358.A N ARG 355.A O no hydrogen 2.969 N/A LYS 360.A N LYS 356.A O no hydrogen 2.946 N/A GLU 361.A N THR 357.A O no hydrogen 3.072 N/A VAL 362.A N LEU 358.A O no hydrogen 3.061 N/A ILE 363.A N ILE 359.A O no hydrogen 3.075 N/A ARG 364.A N LYS 360.A O no hydrogen 2.966 N/A GLU 365.A N GLU 361.A O no hydrogen 3.023 N/A GLY 366.A N VAL 362.A O no hydrogen 3.099 N/A