Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG PRO 160.A O no hydrogen 3.073 N/A PHE 3.A N TYR 159.A O no hydrogen 2.858 N/A ILE 5.A N ALA 157.A O no hydrogen 2.821 N/A ASP 6.A N ALA 157.A O no hydrogen 3.134 N/A ASN 8.A N ASP 6.A OD1 no hydrogen 2.882 N/A ASN 8.A ND2 ASP 6.A OD1 no hydrogen 3.094 N/A PHE 9.A N ASP 6.A O no hydrogen 3.036 N/A VAL 10.A N ASP 6.A O no hydrogen 3.309 N/A ASN 11.A N LYS 7.A O no hydrogen 2.808 N/A LYS 12.A N ASN 8.A O no hydrogen 3.031 N/A ALA 13.A N PHE 9.A O no hydrogen 3.084 N/A VAL 14.A N VAL 10.A O no hydrogen 2.927 N/A GLU 15.A N.A ASN 11.A O no hydrogen 2.839 N/A GLU 15.A N.B ASN 11.A O no hydrogen 2.868 N/A SER 16.A N.A LYS 12.A O no hydrogen 3.018 N/A SER 16.A N.B LYS 12.A O no hydrogen 3.191 N/A SER 16.A OG.B LYS 12.A O no hydrogen 3.279 N/A ALA 17.A N ALA 13.A O no hydrogen 3.159 N/A ALA 17.A N VAL 14.A O no hydrogen 3.207 N/A ASN 18.A N GLU 15.A O.A no hydrogen 3.258 N/A ASN 18.A N GLU 15.A O.B no hydrogen 3.064 N/A THR 20.A N ASP 23.A OD2 no hydrogen 3.058 N/A LYS 21.A NZ ALA 40.A O no hydrogen 3.252 N/A LYS 21.A NZ LYS 41.A O no hydrogen 3.427 N/A LYS 21.A NZ ALA 43.A O no hydrogen 2.804 N/A ASP 22.A N THR 20.A OG1 no hydrogen 3.227 N/A ASP 23.A N THR 20.A O no hydrogen 3.034 N/A VAL 24.A N ASN 87.A OD1 no hydrogen 2.825 N/A VAL 25.A N LYS 45.A O no hydrogen 3.003 N/A LEU 26.A N LYS 88.A O no hydrogen 2.844 N/A GLU 27.A N TYR 47.A O no hydrogen 2.741 N/A GLY 29.A N ILE 49.A O no hydrogen 2.816 N/A LEU 30.A N GLU 50.A OE1 no hydrogen 2.715 N/A LYS 32.A NZ TYR 58.A OH no hydrogen 2.669 N/A GLY 33.A N LEU 30.A O no hydrogen 2.880 N/A THR 36.A OG1 GLU 27.A OE1 no hydrogen 2.630 N/A GLU 37.A N GLY 33.A O no hydrogen 2.898 N/A GLU 38.A N ILE 34.A O.A no hydrogen 3.348 N/A LEU 39.A N LEU 35.A O no hydrogen 3.018 N/A ALA 40.A N THR 36.A O no hydrogen 2.930 N/A LYS 41.A N GLU 37.A O no hydrogen 2.959 N/A LYS 41.A NZ GLU 38.A OE2 no hydrogen 2.978 N/A ASN 42.A N LEU 39.A O no hydrogen 3.166 N/A ASN 42.A ND2 GLU 38.A O no hydrogen 2.837 N/A ALA 43.A N LEU 39.A O no hydrogen 2.862 N/A LYS 44.A N ASP 23.A O no hydrogen 2.784 N/A LYS 45.A NZ TYR 47.A OH no hydrogen 2.800 N/A LYS 45.A NZ ASP 85.A OD1 no hydrogen 3.069 N/A VAL 46.A N.A ASN 68.A O no hydrogen 2.896 N/A VAL 46.A N.B ASN 68.A O no hydrogen 2.878 N/A TYR 47.A N VAL 25.A O no hydrogen 2.867 N/A TYR 47.A OH ASP 85.A OD1 no hydrogen 2.660 N/A VAL 48.A N GLU 70.A O no hydrogen 2.871 N/A ILE 49.A N GLU 27.A O no hydrogen 2.927 N/A GLU 50.A N ILE 72.A O no hydrogen 2.971 N/A ASP 52.A N GLU 50.A OE2 no hydrogen 2.822 N/A SER 54.A N ASP 52.A OD1 no hydrogen 2.986 N/A SER 54.A OG ASP 52.A OD1 no hydrogen 2.668 N/A SER 54.A OG ASP 52.A OD2 no hydrogen 3.214 N/A LEU 55.A N ASP 52.A O no hydrogen 3.273 N/A GLU 56.A N LYS 53.A O no hydrogen 3.157 N/A TYR 58.A N LEU 55.A O no hydrogen 3.016 N/A ALA 59.A N LEU 55.A O no hydrogen 3.459 N/A ASN 60.A N GLU 56.A O no hydrogen 2.782 N/A LYS 61.A N PRO 57.A O no hydrogen 3.047 N/A LEU 62.A N TYR 58.A O no hydrogen 3.181 N/A LYS 63.A N ALA 59.A O no hydrogen 3.007 N/A GLU 64.A N LYS 61.A O no hydrogen 3.196 N/A LEU 65.A N LEU 62.A O no hydrogen 2.973 N/A TYR 66.A N LEU 62.A O no hydrogen 2.892 N/A TYR 66.A OH GLU 37.A OE2 no hydrogen 2.641 N/A ASN 68.A ND2 ALA 40.A O no hydrogen 2.972 N/A ASN 68.A ND2 LYS 44.A O no hydrogen 3.044 N/A GLU 70.A N VAL 46.A O.A no hydrogen 2.869 N/A GLU 70.A N VAL 46.A O.B no hydrogen 2.808 N/A ILE 72.A N VAL 48.A O no hydrogen 2.753 N/A GLY 74.A N GLU 50.A O no hydrogen 2.925 N/A LEU 77.A N ASP 75.A OD1 no hydrogen 2.838 N/A LYS 78.A N ASP 75.A O no hydrogen 2.825 N/A VAL 79.A N ASP 75.A O no hydrogen 3.021 N/A ASN 82.A N ASP 80.A OD1 no hydrogen 2.977 N/A LYS 83.A N ASP 80.A O no hydrogen 3.304 N/A LEU 84.A N LEU 81.A O no hydrogen 3.256 N/A ASN 87.A N VAL 24.A O no hydrogen 2.790 N/A ASN 87.A ND2 ASP 23.A OD1 no hydrogen 2.937 N/A ASN 87.A ND2 ASP 111.A OD2 no hydrogen 3.141 N/A LYS 88.A N VAL 24.A O no hydrogen 3.177 N/A LYS 88.A NZ ALA 17.A O no hydrogen 2.762 N/A LYS 88.A NZ ASP 23.A OD2 no hydrogen 2.798 N/A VAL 89.A N LEU 112.A O no hydrogen 3.109 N/A VAL 90.A N LEU 26.A O no hydrogen 2.971 N/A ALA 91.A N VAL 114.A O no hydrogen 3.159 N/A LEU 93.A N MET 116.A O no hydrogen 3.259 N/A ILE 97.A N PRO 94.A O no hydrogen 3.062 N/A SER 98.A N TYR 95.A O no hydrogen 2.988 N/A SER 98.A OG TYR 95.A O no hydrogen 2.648 N/A ILE 101.A N ILE 97.A O no hydrogen 2.962 N/A THR 102.A N SER 98.A O no hydrogen 3.196 N/A THR 102.A OG1 SER 98.A O no hydrogen 2.715 N/A THR 102.A OG1 TYR 117.A OH no hydrogen 2.607 N/A PHE 103.A N SER 99.A O no hydrogen 3.210 N/A LYS 104.A N PRO 100.A O no hydrogen 2.899 N/A LEU 105.A N ILE 101.A O no hydrogen 2.849 N/A ILE 106.A N THR 102.A O no hydrogen 2.933 N/A LYS 107.A N PHE 103.A O no hydrogen 2.912 N/A ARG 108.A N LYS 104.A O no hydrogen 3.064 N/A ARG 108.A NE LEU 81.A O no hydrogen 2.820 N/A ARG 108.A NH1 ARG 108.A O no hydrogen 3.131 N/A ARG 108.A NH2 LEU 84.A O no hydrogen 2.716 N/A GLY 109.A N LEU 105.A O no hydrogen 2.830 N/A ASP 111.A N ASN 87.A O no hydrogen 2.737 N/A ALA 113.A N ILE 171.A O no hydrogen 2.975 N/A VAL 114.A N VAL 89.A O no hydrogen 2.815 N/A LEU 115.A N VAL 169.A O no hydrogen 2.882 N/A MET 116.A N ALA 91.A O no hydrogen 2.912 N/A TYR 117.A N ALA 167.A O no hydrogen 2.938 N/A TYR 117.A OH THR 102.A OG1 no hydrogen 2.607 N/A TYR 119.A N TYR 165.A O no hydrogen 2.857 N/A ALA 122.A N GLN 118.A O no hydrogen 3.131 N/A LYS 123.A N TYR 119.A O no hydrogen 2.873 N/A LYS 123.A NZ GLU 120.A OE2 no hydrogen 3.472 N/A ARG 124.A N GLU 120.A O no hydrogen 3.192 N/A MET 125.A N PHE 121.A O no hydrogen 2.959 N/A VAL 126.A N ALA 122.A O no hydrogen 3.132 N/A ALA 127.A N ARG 124.A O no hydrogen 3.362 N/A GLY 130.A N PHE 242.A O no hydrogen 2.801 N/A THR 131.A N ALA 128.A O no hydrogen 3.336 N/A THR 131.A OG1 ALA 128.A O no hydrogen 2.659 N/A TYR 134.A N THR 131.A O no hydrogen 3.065 N/A TYR 134.A OH LEU 244.A O no hydrogen 2.792 N/A GLY 135.A N SER 138.A OG no hydrogen 2.830 N/A SER 138.A OG ARG 124.A O no hydrogen 2.646 N/A SER 138.A OG ASP 133.A O no hydrogen 3.499 N/A SER 138.A OG GLY 135.A O no hydrogen 3.238 N/A VAL 139.A N GLY 135.A O no hydrogen 3.123 N/A ALA 140.A N ARG 136.A O no hydrogen 2.782 N/A VAL 141.A N LEU 137.A O no hydrogen 3.003 N/A GLN 142.A N SER 138.A O no hydrogen 2.873 N/A GLN 142.A NE2 MET 125.A O no hydrogen 2.933 N/A GLN 142.A NE2 ALA 127.A O no hydrogen 2.891 N/A SER 143.A N VAL 139.A O no hydrogen 2.960 N/A SER 143.A OG VAL 139.A O no hydrogen 2.763 N/A SER 143.A OG ALA 140.A O no hydrogen 3.234 N/A ARG 144.A N VAL 141.A O no hydrogen 2.918 N/A ARG 144.A NE GLU 183.A OE1 no hydrogen 3.355 N/A ARG 144.A NH1 ALA 140.A O no hydrogen 2.903 N/A ARG 144.A NH2 GLU 183.A OE1 no hydrogen 3.129 N/A ARG 144.A NH2 ASP 187.A OD1 no hydrogen 2.989 N/A ASP 146.A N LYS 172.A O no hydrogen 2.856 N/A GLU 148.A N LYS 170.A O no hydrogen 3.137 N/A VAL 150.A N ILE 168.A O no hydrogen 2.692 N/A VAL 153.A N SER 166.A O no hydrogen 2.731 N/A ALA 157.A N PRO 154.A O no hydrogen 2.990 N/A PHE 158.A N PRO 155.A O no hydrogen 2.971 N/A TYR 159.A N PHE 3.A O no hydrogen 2.863 N/A SER 166.A N VAL 153.A O no hydrogen 2.806 N/A ALA 167.A N TYR 117.A O no hydrogen 2.750 N/A ILE 168.A N ALA 151.A O no hydrogen 2.876 N/A VAL 169.A N LEU 115.A O no hydrogen 2.792 N/A LYS 170.A N GLU 148.A O no hydrogen 2.925 N/A ILE 171.A N ALA 113.A O no hydrogen 2.829 N/A LYS 172.A N ASP 146.A O no hydrogen 2.802 N/A ASN 174.A N ARG 144.A O no hydrogen 2.901 N/A ASN 174.A ND2 ASP 146.A OD2 no hydrogen 2.870 N/A HIS 179.A N LYS 175.A O no hydrogen 3.326 N/A GLU 181.A N ASN 254.A OD1 no hydrogen 2.833 N/A PHE 185.A N ASN 182.A OD1 no hydrogen 2.899 N/A PHE 186.A N ASN 182.A O no hydrogen 2.935 N/A ASP 187.A N GLU 183.A O no hydrogen 2.904 N/A ASP 188.A N ASN 184.A O no hydrogen 3.006 N/A PHE 189.A N PHE 185.A O no hydrogen 2.791 N/A LEU 190.A N PHE 186.A O no hydrogen 2.860 N/A ARG 191.A N ASP 187.A O no hydrogen 3.017 N/A ARG 191.A NH1 ASP 188.A OD1 no hydrogen 3.041 N/A ARG 191.A NH1 GLU 211.A OE1 no hydrogen 3.351 N/A ARG 191.A NH2 ASP 188.A OD1 no hydrogen 3.030 N/A ALA 192.A N ASP 188.A O no hydrogen 2.941 N/A ILE 193.A N PHE 189.A O no hydrogen 3.002 N/A PHE 194.A N LEU 190.A O no hydrogen 3.024 N/A GLN 195.A N ALA 192.A O no hydrogen 3.345 N/A GLN 195.A NE2 GLU 211.A OE2 no hydrogen 3.195 N/A HIS 196.A N ILE 193.A O no hydrogen 3.094 N/A ARG 197.A NH2 THR 131.A O no hydrogen 3.034 N/A ARG 197.A NH2 TYR 134.A O no hydrogen 2.784 N/A LYS 199.A N HIS 196.A O no hydrogen 3.051 N/A LYS 199.A NZ ASP 207.A OD2 no hydrogen 2.402 N/A VAL 201.A N GLU 239.A O no hydrogen 2.952 N/A ARG 202.A N ILE 237.A O no hydrogen 2.847 N/A LYS 203.A N SER 200.A OG no hydrogen 3.009 N/A ALA 204.A N SER 200.A O no hydrogen 2.883 N/A LEU 205.A N VAL 201.A O no hydrogen 2.861 N/A ILE 206.A N ARG 202.A O no hydrogen 3.126 N/A ASP 207.A N LYS 203.A O no hydrogen 2.956 N/A SER 208.A N ALA 204.A O no hydrogen 2.870 N/A SER 208.A OG ALA 192.A O no hydrogen 3.273 N/A SER 208.A OG GLN 195.A OE1 no hydrogen 2.577 N/A SER 209.A N ILE 206.A O no hydrogen 3.140 N/A SER 209.A OG ILE 206.A O no hydrogen 3.442 N/A SER 209.A OG TYR 214.A O no hydrogen 2.771 N/A GLU 211.A N SER 208.A O no hydrogen 2.879 N/A LEU 212.A N SER 209.A O no hydrogen 2.978 N/A ASN 213.A N LYS 210.A O no hydrogen 3.017 N/A TYR 214.A N SER 209.A O no hydrogen 3.132 N/A ASN 215.A N GLU 218.A OE1 no hydrogen 2.933 N/A GLU 218.A N ASN 215.A OD1 no hydrogen 2.737 N/A MET 219.A N ASN 215.A O no hydrogen 3.006 N/A LYS 220.A N LYS 216.A O no hydrogen 2.999 N/A LYS 220.A NZ GLU 224.A OE2 no hydrogen 2.956 N/A LYS 221.A N ASP 217.A O no hydrogen 3.105 N/A ILE 222.A N GLU 218.A O no hydrogen 2.859 N/A LEU 223.A N MET 219.A O no hydrogen 2.889 N/A GLU 224.A N LYS 220.A O no hydrogen 3.057 N/A ASP 225.A N LYS 221.A O no hydrogen 3.067 N/A PHE 226.A N ILE 222.A O no hydrogen 2.743 N/A LEU 227.A N LEU 223.A O no hydrogen 2.807 N/A ASN 228.A N GLU 224.A O no hydrogen 3.306 N/A ASN 228.A N ASP 225.A O no hydrogen 3.148 N/A THR 229.A N PHE 226.A O no hydrogen 2.958 N/A THR 229.A OG1 PHE 226.A O no hydrogen 2.494 N/A SER 231.A OG GLU 232.A OE1 no hydrogen 3.338 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.824 N/A ILE 233.A N ASN 230.A OD1 no hydrogen 3.009 N/A LYS 234.A N ASN 230.A O no hydrogen 3.398 N/A LYS 234.A NZ ASN 235.A OD1 no hydrogen 2.854 N/A ASN 235.A N SER 231.A O no hydrogen 3.079 N/A LEU 236.A N GLU 232.A O no hydrogen 2.951 N/A ILE 237.A N ILE 233.A O no hydrogen 2.861 N/A ASN 238.A N LYS 234.A O no hydrogen 3.226 N/A GLU 239.A N LEU 236.A O no hydrogen 3.092 N/A LYS 240.A N GLU 239.A OE1 no hydrogen 2.808 N/A LYS 240.A NZ ASN 198.A O no hydrogen 2.792 N/A VAL 241.A N LYS 199.A O no hydrogen 2.954 N/A PHE 242.A N ARG 197.A O no hydrogen 3.160 N/A LYS 243.A N LYS 240.A O no hydrogen 2.948 N/A LEU 244.A N VAL 241.A O no hydrogen 3.198 N/A ASP 248.A N SER 245.A OG no hydrogen 3.035 N/A ILE 249.A N SER 245.A O no hydrogen 2.946 N/A VAL 250.A N VAL 246.A O no hydrogen 2.938 N/A ASN 251.A N.A LYS 247.A O no hydrogen 2.975 N/A ASN 251.A N.B LYS 247.A O no hydrogen 2.950 N/A LEU 252.A N ASP 248.A O no hydrogen 2.862 N/A SER 253.A N ILE 249.A O no hydrogen 2.930 N/A SER 253.A OG ILE 249.A O no hydrogen 2.759 N/A SER 253.A OG VAL 250.A O no hydrogen 2.696 N/A ASN 254.A N VAL 250.A O no hydrogen 2.876 N/A ASN 254.A ND2 HIS 179.A O no hydrogen 2.838 N/A GLU 255.A N.A ASN 251.A O.A no hydrogen 2.913 N/A GLU 255.A N.A ASN 251.A O.B no hydrogen 2.942 N/A GLU 255.A N.B ASN 251.A O.A no hydrogen 2.928 N/A GLU 255.A N.B ASN 251.A O.B no hydrogen 2.956 N/A PHE 256.A N LEU 252.A O no hydrogen 2.889 N/A TYR 257.A N SER 253.A O no hydrogen 2.792 N/A ARG 258.A N ASN 254.A O no hydrogen 3.000 N/A ARG 258.A NH2 GLU 255.A OE1.A no hydrogen 2.707 N/A PHE 259.A N GLU 255.A O.A no hydrogen 2.844 N/A PHE 259.A N GLU 255.A O.B no hydrogen 2.870 N/A LEU 260.A N PHE 256.A O no hydrogen 2.907 N/A GLN 261.A N TYR 257.A O no hydrogen 2.926 N/A ASN 262.A N ARG 258.A O no hydrogen 3.009 N/A ARG 263.A N PHE 259.A O no hydrogen 3.011 N/A