Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG VAL 5.A O no hydrogen 3.938 N/A CYS 4.A SG ALA 80.A O no hydrogen 3.956 N/A VAL 5.A N GLN 27.A O no hydrogen 2.875 N/A VAL 6.A N HIS 86.A O no hydrogen 2.840 N/A ILE 7.A N LYS 29.A O no hydrogen 2.908 N/A VAL 8.A N GLN 88.A O no hydrogen 3.047 N/A GLY 9.A N TYR 31.A O no hydrogen 2.785 N/A SER 10.A N ASP 32.A OD2 no hydrogen 2.879 N/A SER 10.A OG.A ASP 32.A OD2 no hydrogen 3.077 N/A SER 10.A OG.B TYR 31.A O no hydrogen 3.021 N/A ARG 15.A N GLY 11.A O no hydrogen 2.995 N/A ARG 15.A NE SER 10.A O no hydrogen 2.887 N/A ARG 15.A NH2 SER 10.A O no hydrogen 3.140 N/A SER 16.A N VAL 12.A O no hydrogen 3.280 N/A SER 16.A OG VAL 12.A O no hydrogen 3.505 N/A TRP 17.A N ILE 13.A O no hydrogen 2.956 N/A TRP 17.A NE1 SER 118.A OG no hydrogen 2.994 N/A ALA 18.A N GLY 14.A O no hydrogen 2.954 N/A MET 19.A N ARG 15.A O no hydrogen 3.112 N/A LEU 20.A N SER 16.A O no hydrogen 2.981 N/A PHE 21.A N TRP 17.A O no hydrogen 2.820 N/A ALA 22.A N ALA 18.A O no hydrogen 2.946 N/A SER 23.A N MET 19.A O no hydrogen 3.091 N/A SER 23.A OG LEU 20.A O no hydrogen 2.663 N/A GLY 24.A N LEU 20.A O no hydrogen 3.297 N/A GLY 24.A N PHE 21.A O no hydrogen 3.025 N/A GLY 25.A N ALA 22.A O no hydrogen 3.034 N/A PHE 26.A N PHE 21.A O no hydrogen 3.074 N/A VAL 28.A N LEU 70.A O no hydrogen 2.790 N/A LYS 29.A N VAL 5.A O no hydrogen 2.836 N/A LEU 30.A N SER 72.A O no hydrogen 2.843 N/A TYR 31.A N ILE 7.A O no hydrogen 2.858 N/A GLU 34.A N ASP 32.A OD1 no hydrogen 2.904 N/A GLN 36.A NE2 ASN 40.A OD1 no hydrogen 2.902 N/A GLN 37.A N GLU 34.A O no hydrogen 2.923 N/A ARG 39.A N GLN 35.A O no hydrogen 3.054 N/A ARG 39.A NH1 GLN 36.A OE1 no hydrogen 3.126 N/A ASN 40.A N GLN 36.A O no hydrogen 2.884 N/A ALA 41.A N GLN 37.A O no hydrogen 2.801 N/A LEU 42.A N ILE 38.A O no hydrogen 2.983 N/A GLU 43.A N ARG 39.A O no hydrogen 3.050 N/A ASN 44.A N ASN 40.A O no hydrogen 2.783 N/A ILE 45.A N ALA 41.A O no hydrogen 2.849 N/A ARG 46.A N LEU 42.A O no hydrogen 3.138 N/A LYS 47.A N GLU 43.A O no hydrogen 3.065 N/A LYS 47.A NZ GLU 43.A OE2 no hydrogen 2.771 N/A GLU 48.A N ASN 44.A O no hydrogen 2.854 N/A MET 49.A N ILE 45.A O no hydrogen 2.958 N/A LYS 50.A N ARG 46.A O no hydrogen 3.359 N/A LEU 51.A N LYS 47.A O no hydrogen 3.155 N/A LEU 52.A N GLU 48.A O no hydrogen 2.802 N/A GLU 53.A N MET 49.A O no hydrogen 2.951 N/A GLN 54.A N LYS 50.A O no hydrogen 3.020 N/A ALA 55.A N LEU 51.A O no hydrogen 3.021 N/A GLY 56.A N GLU 53.A O no hydrogen 3.155 N/A SER 57.A N LEU 52.A O no hydrogen 2.761 N/A SER 57.A OG ALA 55.A O no hydrogen 3.487 N/A LYS 59.A N TYR 147.A OH no hydrogen 2.884 N/A LYS 59.A NZ TYR 147.A O no hydrogen 2.801 N/A SER 63.A N GLU 66.A OE1 no hydrogen 2.855 N/A SER 63.A OG GLU 66.A OE1 no hydrogen 3.199 N/A GLU 66.A N SER 63.A OG no hydrogen 2.943 N/A GLN 67.A N SER 63.A O no hydrogen 2.927 N/A GLN 67.A NE2 LYS 59.A O no hydrogen 3.158 N/A GLN 67.A NE2 LEU 62.A O no hydrogen 3.077 N/A LEU 68.A N VAL 64.A O no hydrogen 2.903 N/A SER 69.A N GLU 65.A O no hydrogen 3.040 N/A SER 69.A OG GLU 66.A O no hydrogen 2.930 N/A LEU 70.A N GLN 67.A O no hydrogen 3.089 N/A ILE 71.A N LEU 68.A O no hydrogen 3.088 N/A SER 72.A N VAL 28.A O no hydrogen 3.012 N/A CYS 74.A N LEU 30.A O no hydrogen 2.806 N/A CYS 74.A SG ASN 76.A O no hydrogen 3.537 N/A GLU 79.A N ASN 76.A OD1 no hydrogen 2.949 N/A ALA 80.A N ASN 76.A O no hydrogen 2.909 N/A VAL 81.A N ILE 77.A O no hydrogen 2.951 N/A GLU 82.A N GLN 78.A O no hydrogen 3.178 N/A ALA 84.A N VAL 81.A O no hydrogen 3.094 N/A MET 85.A N CYS 4.A O no hydrogen 2.870 N/A HIS 86.A NE2 GLN 88.A OE1 no hydrogen 2.838 N/A ILE 87.A N ILE 114.A O no hydrogen 2.800 N/A GLN 88.A N VAL 6.A O no hydrogen 2.762 N/A GLN 88.A NE2 SER 118.A OG no hydrogen 2.962 N/A GLN 88.A NE2 ALA 140.A O no hydrogen 3.130 N/A GLU 89.A N SER 116.A O no hydrogen 2.829 N/A CYS 90.A N VAL 8.A O no hydrogen 2.746 N/A CYS 90.A SG GLN 88.A O no hydrogen 3.658 N/A CYS 90.A SG SER 118.A OG no hydrogen 3.453 N/A VAL 91.A N GLU 89.A OE2 no hydrogen 2.846 N/A LEU 97.A N ASP 94.A OD2 no hydrogen 2.866 N/A LYS 98.A N ASP 94.A O no hydrogen 2.955 N/A LYS 98.A NZ GLU 89.A OE2 no hydrogen 2.578 N/A LYS 98.A NZ PRO 92.A O no hydrogen 2.928 N/A LYS 99.A N LEU 95.A O no hydrogen 2.871 N/A LYS 99.A NZ LYS 126.A O no hydrogen 3.011 N/A LYS 100.A N GLU 96.A O no hydrogen 3.093 N/A ILE 101.A N LEU 97.A O no hydrogen 3.135 N/A PHE 102.A N LYS 98.A O no hydrogen 2.882 N/A ALA 103.A N LYS 99.A O no hydrogen 2.922 N/A GLN 104.A N LYS 100.A O no hydrogen 3.027 N/A LEU 105.A N ILE 101.A O no hydrogen 2.900 N/A ASP 106.A N PHE 102.A O no hydrogen 2.813 N/A SER 107.A N GLN 104.A O no hydrogen 3.190 N/A SER 107.A OG GLN 104.A O no hydrogen 2.753 N/A ILE 108.A N LEU 105.A O no hydrogen 3.090 N/A ILE 109.A N LEU 105.A O no hydrogen 2.939 N/A ARG 112.A N ASP 110.A OD1 no hydrogen 2.810 N/A VAL 113.A N ASP 110.A OD1 no hydrogen 2.933 N/A ILE 114.A N MET 85.A O no hydrogen 3.097 N/A LEU 115.A N GLN 136.A O no hydrogen 2.851 N/A SER 116.A N ILE 87.A O no hydrogen 2.902 N/A SER 116.A OG GLN 88.A OE1 no hydrogen 2.697 N/A SER 117.A N ILE 138.A O no hydrogen 2.854 N/A SER 117.A OG GLU 89.A OE1 no hydrogen 2.596 N/A SER 118.A N GLU 89.A O no hydrogen 3.042 N/A SER 118.A OG GLU 89.A O no hydrogen 3.150 N/A THR 119.A N SER 117.A OG no hydrogen 3.136 N/A THR 119.A OG1 GLU 93.A OE1 no hydrogen 3.231 N/A THR 119.A OG1 GLU 93.A OE2 no hydrogen 2.745 N/A SER 120.A N GLU 93.A OE1 no hydrogen 3.080 N/A SER 120.A OG.A GLU 93.A OE1 no hydrogen 2.898 N/A SER 120.A OG.B HIS 141.A NE2 no hydrogen 2.716 N/A CYS 121.A N GLU 93.A OE1 no hydrogen 3.010 N/A CYS 121.A N THR 119.A OG1 no hydrogen 3.263 N/A CYS 121.A SG GLU 93.A OE1 no hydrogen 3.433 N/A LEU 122.A N THR 119.A OG1 no hydrogen 2.928 N/A SER 125.A N GLU 185.A OE1 no hydrogen 2.878 N/A SER 125.A OG GLU 185.A OE1 no hydrogen 3.149 N/A SER 125.A OG GLU 185.A OE2 no hydrogen 2.479 N/A LYS 126.A N MET 123.A O no hydrogen 3.000 N/A LEU 127.A N MET 123.A O no hydrogen 2.949 N/A PHE 128.A N PRO 124.A O no hydrogen 2.990 N/A LEU 131.A N PHE 128.A O no hydrogen 3.286 N/A VAL 132.A N ASP 106.A OD2 no hydrogen 2.786 N/A HIS 133.A N ASP 106.A OD1 no hydrogen 2.930 N/A HIS 133.A ND1 GLN 136.A OE1 no hydrogen 2.912 N/A VAL 134.A N LEU 131.A O no hydrogen 3.242 N/A GLN 136.A N HIS 133.A O no hydrogen 2.920 N/A GLN 136.A NE2 ASP 110.A O no hydrogen 2.909 N/A GLN 136.A NE2 VAL 113.A O no hydrogen 2.774 N/A CYS 137.A N VAL 134.A O no hydrogen 3.007 N/A CYS 137.A SG HIS 133.A O no hydrogen 3.608 N/A ILE 138.A N LEU 115.A O no hydrogen 2.914 N/A VAL 139.A N VAL 155.A O no hydrogen 2.961 N/A ALA 140.A N SER 117.A O no hydrogen 2.815 N/A HIS 141.A N GLU 153.A O no hydrogen 2.852 N/A HIS 141.A ND1 GLU 153.A OE1 no hydrogen 2.805 N/A TYR 148.A N PRO 145.A O no hydrogen 2.976 N/A ILE 149.A N PRO 145.A O no hydrogen 2.956 N/A VAL 152.A N CYS 178.A O no hydrogen 3.023 N/A GLU 153.A N HIS 141.A O no hydrogen 2.815 N/A LEU 154.A N MET 180.A O no hydrogen 2.919 N/A VAL 155.A N VAL 139.A O no hydrogen 2.838 N/A HIS 157.A N THR 160.A OG1 no hydrogen 2.856 N/A GLU 159.A N HIS 157.A ND1 no hydrogen 2.884 N/A THR 160.A N HIS 157.A O no hydrogen 3.017 N/A THR 160.A OG1 CYS 137.A O no hydrogen 2.714 N/A THR 160.A OG1 HIS 157.A O no hydrogen 3.267 N/A ALA 161.A N LYS 135.A O no hydrogen 2.961 N/A THR 164.A N ALA 161.A O no hydrogen 2.864 N/A THR 164.A OG1 LYS 135.A O no hydrogen 2.669 N/A VAL 165.A N ALA 161.A O no hydrogen 3.396 N/A ASP 166.A N PRO 162.A O no hydrogen 2.949 N/A ARG 167.A N THR 163.A O no hydrogen 2.807 N/A ARG 167.A NH1 ARG 112.A O no hydrogen 2.841 N/A ARG 167.A NH2 ARG 112.A O no hydrogen 2.897 N/A THR 168.A N THR 164.A O no hydrogen 3.028 N/A THR 168.A OG1 THR 164.A O no hydrogen 2.517 N/A HIS 169.A N VAL 165.A O no hydrogen 2.832 N/A ALA 170.A N ASP 166.A O no hydrogen 3.003 N/A LEU 171.A N ARG 167.A O no hydrogen 2.971 N/A MET 172.A N THR 168.A O no hydrogen 2.940 N/A LYS 173.A N HIS 169.A O no hydrogen 2.978 N/A LYS 174.A N ALA 170.A O no hydrogen 3.007 N/A ILE 175.A N LEU 171.A O no hydrogen 3.205 N/A GLY 176.A N LYS 173.A O no hydrogen 3.038 N/A GLN 177.A N MET 172.A O no hydrogen 2.939 N/A GLN 177.A NE2 PRO 146.A O no hydrogen 3.049 N/A GLN 177.A NE2 ILE 149.A O no hydrogen 3.516 N/A CYS 178.A N PRO 150.A O no hydrogen 2.758 N/A MET 180.A N VAL 152.A O no hydrogen 2.948 N/A ARG 181.A NE VAL 182.A O no hydrogen 2.968 N/A ARG 181.A NH2 GLN 183.A O no hydrogen 3.118 N/A VAL 182.A N LEU 154.A O no hydrogen 2.958 N/A PHE 189.A N VAL 186.A O no hydrogen 3.008 N/A VAL 190.A N GLU 153.A OE2 no hydrogen 2.867 N/A LEU 191.A N GLU 153.A OE2 no hydrogen 2.858 N/A ARG 193.A NH1 ALA 187.A O no hydrogen 2.815 N/A LEU 194.A N VAL 190.A O no hydrogen 3.214 N/A GLN 195.A N LEU 191.A O no hydrogen 2.863 N/A GLN 195.A NE2 ASN 192.A OD1 no hydrogen 3.011 N/A TYR 196.A N ASN 192.A O no hydrogen 2.806 N/A ALA 197.A N ARG 193.A O no hydrogen 2.990 N/A ILE 198.A N LEU 194.A O no hydrogen 3.216 N/A ILE 199.A N GLN 195.A O no hydrogen 2.931 N/A SER 200.A N TYR 196.A O no hydrogen 2.933 N/A GLU 201.A N ALA 197.A O no hydrogen 3.393 N/A ALA 202.A N ILE 198.A O no hydrogen 2.900 N/A TRP 203.A N ILE 199.A O no hydrogen 2.823 N/A ARG 204.A N SER 200.A O no hydrogen 3.176 N/A ARG 204.A NE GLU 201.A OE1 no hydrogen 3.027 N/A ARG 204.A NH1 PRO 264.A O no hydrogen 2.928 N/A ARG 204.A NH2 GLU 201.A OE1 no hydrogen 3.038 N/A LEU 205.A N GLU 201.A O no hydrogen 2.848 N/A VAL 206.A N ALA 202.A O no hydrogen 2.911 N/A GLU 207.A N TRP 203.A O no hydrogen 2.863 N/A GLU 208.A N ARG 204.A O no hydrogen 2.941 N/A GLY 209.A N VAL 206.A O no hydrogen 2.993 N/A ILE 210.A N LEU 205.A O no hydrogen 2.991 N/A ASP 215.A N SER 212.A OG no hydrogen 3.103 N/A LEU 216.A N SER 212.A O no hydrogen 2.867 N/A ASP 217.A N PRO 213.A O no hydrogen 2.889 N/A LEU 218.A N SER 214.A O no hydrogen 3.110 N/A VAL 219.A N ASP 215.A O no hydrogen 2.966 N/A MET 220.A N LEU 216.A O no hydrogen 3.313 N/A SER 221.A N ASP 217.A O no hydrogen 2.898 N/A SER 221.A OG ASP 217.A O no hydrogen 3.437 N/A GLU 222.A N LEU 218.A O no hydrogen 2.816 N/A GLY 223.A N MET 220.A O no hydrogen 3.248 N/A LEU 224.A N VAL 219.A O no hydrogen 3.280 N/A GLY 225.A N MET 220.A O no hydrogen 2.657 N/A MET 226.A N GLY 223.A O no hydrogen 3.069 N/A TYR 228.A N LEU 224.A O no hydrogen 3.131 N/A ALA 229.A N GLY 225.A O no hydrogen 3.234 N/A PHE 230.A N ARG 227.A O no hydrogen 3.114 N/A ILE 231.A N ARG 227.A O no hydrogen 3.009 N/A THR 236.A N GLY 232.A O no hydrogen 2.965 N/A THR 236.A OG1 GLY 232.A O no hydrogen 2.781 N/A MET 237.A N PRO 233.A O no hydrogen 3.447 N/A HIS 238.A N LEU 234.A O no hydrogen 3.225 N/A LEU 239.A N GLU 235.A O no hydrogen 3.018 N/A LEU 239.A N THR 236.A O no hydrogen 3.276 N/A ASN 240.A N THR 236.A O no hydrogen 2.984 N/A ASN 240.A N MET 237.A O no hydrogen 3.292 N/A GLU 242.A N SER 246.A OG no hydrogen 3.186 N/A GLY 243.A N HIS 238.A O no hydrogen 3.175 N/A MET 244.A N HIS 238.A ND1 no hydrogen 3.267 N/A TYR 247.A N GLY 243.A O no hydrogen 2.988 N/A CYS 248.A N MET 244.A O no hydrogen 2.977 N/A CYS 248.A SG MET 244.A O no hydrogen 3.472 N/A ASP 249.A N LEU 245.A O no hydrogen 2.904 N/A ARG 250.A N SER 246.A O no hydrogen 2.892 N/A TYR 251.A N TYR 247.A O no hydrogen 2.772 N/A SER 252.A N CYS 248.A O no hydrogen 2.968 N/A SER 252.A OG CYS 248.A O no hydrogen 2.839 N/A ILE 255.A N TYR 251.A O no hydrogen 2.922 N/A LYS 256.A N SER 252.A O no hydrogen 3.085 N/A HIS 257.A N GLU 253.A O no hydrogen 2.998 N/A VAL 258.A N GLY 254.A O no hydrogen 2.897 N/A LEU 259.A N ILE 255.A O no hydrogen 2.924 N/A GLN 260.A N LYS 256.A O no hydrogen 2.947 N/A THR 261.A N VAL 258.A O no hydrogen 3.007 N/A THR 261.A OG1 VAL 258.A O no hydrogen 2.675 N/A PHE 262.A N LEU 259.A O no hydrogen 3.075 N/A SER 269.A OG THR 272.A OG1 no hydrogen 3.147 N/A ARG 270.A NE GLU 274.A OE2 no hydrogen 3.054 N/A THR 272.A N SER 269.A OG no hydrogen 2.983 N/A THR 272.A OG1 SER 269.A OG no hydrogen 3.147 N/A ALA 273.A N SER 269.A O no hydrogen 2.835 N/A GLU 274.A N ARG 270.A O no hydrogen 2.858 N/A LYS 275.A N ALA 271.A O no hydrogen 3.202 N/A VAL 276.A N THR 272.A O no hydrogen 2.906 N/A ASN 277.A N ALA 273.A O no hydrogen 2.836 N/A GLN 278.A N GLU 274.A O no hydrogen 3.053 N/A ASP 279.A N LYS 275.A O no hydrogen 3.246 N/A MET 280.A N VAL 276.A O no hydrogen 2.886 N/A CYS 281.A N ASN 277.A O no hydrogen 2.879 N/A CYS 281.A SG ASN 277.A O no hydrogen 3.254 N/A CYS 281.A SG ASN 277.A OD1 no hydrogen 3.803 N/A MET 282.A N ASP 279.A O no hydrogen 3.150 N/A LYS 283.A N MET 280.A O no hydrogen 3.188 N/A VAL 284.A N MET 280.A O no hydrogen 2.875 N/A HIS 290.A N ASP 287.A OD1 no hydrogen 3.414 N/A HIS 290.A ND1 ASP 287.A OD1 no hydrogen 2.833 N/A LEU 291.A N ASP 287.A O no hydrogen 3.036 N/A ALA 292.A N PRO 288.A O no hydrogen 2.861 N/A ALA 293.A N GLU 289.A O no hydrogen 2.907 N/A ARG 294.A N HIS 290.A O no hydrogen 3.124 N/A ARG 295.A N LEU 291.A O no hydrogen 2.931 N/A GLN 296.A N ALA 292.A O no hydrogen 2.931 N/A TRP 297.A N ALA 293.A O no hydrogen 3.130 N/A ARG 298.A N ARG 294.A O no hydrogen 2.933 N/A ARG 298.A NE ASP 299.A OD1 no hydrogen 2.939 N/A ARG 298.A NH2 ASP 299.A OD1 no hydrogen 2.914 N/A ASP 299.A N ARG 295.A O no hydrogen 2.908 N/A GLU 300.A N GLN 296.A O no hydrogen 3.006 N/A CYS 301.A N TRP 297.A O no hydrogen 3.049 N/A CYS 301.A SG TRP 297.A O no hydrogen 3.369 N/A LEU 302.A N ARG 298.A O no hydrogen 2.979 N/A MET 303.A N ASP 299.A O no hydrogen 2.914 N/A ARG 304.A N GLU 300.A O no hydrogen 2.967 N/A LEU 305.A N CYS 301.A O no hydrogen 2.862 N/A ALA 306.A N LEU 302.A O no hydrogen 2.852 N/A LYS 307.A N MET 303.A O no hydrogen 3.106 N/A LYS 307.A NZ ALA 55.A O no hydrogen 2.797 N/A LEU 308.A N ARG 304.A O no hydrogen 2.992 N/A LYS 309.A N LEU 305.A O no hydrogen 2.888 N/A LYS 309.A NZ ALA 229.A O no hydrogen 2.708 N/A SER 310.A N ALA 306.A O no hydrogen 3.158 N/A SER 310.A OG LYS 307.A O no hydrogen 2.617 N/A GLN 311.A N LEU 308.A O no hydrogen 2.977 N/A GLN 311.A NE2 LYS 307.A O no hydrogen 3.608 N/A