Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ARG 1.A O no hydrogen 3.175 N/A SER 5.A OG ARG 1.A O no hydrogen 3.036 N/A LEU 6.A N GLU 2.A O no hydrogen 2.941 N/A ALA 7.A N LEU 3.A O no hydrogen 2.914 N/A ALA 8.A N GLN 4.A O no hydrogen 3.095 N/A ALA 9.A N SER 5.A O no hydrogen 3.163 N/A ALA 9.A N LEU 6.A O no hydrogen 3.155 N/A SER 13.A OG THR 16.A OG1 no hydrogen 3.108 N/A THR 16.A N SER 13.A OG no hydrogen 3.013 N/A THR 16.A OG1 SER 13.A OG no hydrogen 3.108 N/A LEU 17.A N SER 13.A O no hydrogen 3.001 N/A LYS 18.A N GLN 15.A O no hydrogen 3.218 N/A ASP 21.A N LYS 18.A O no hydrogen 3.148 N/A PHE 24.A N ASP 21.A O no hydrogen 3.148 N/A PHE 27.A N SER 25.A OG no hydrogen 3.234 N/A LEU 29.A N ASP 26.A O no hydrogen 3.031 N/A SER 30.A N GLU 33.A OE1 no hydrogen 2.957 N/A SER 30.A OG GLU 33.A OE1 no hydrogen 3.518 N/A GLU 33.A N SER 30.A OG no hydrogen 3.121 N/A THR 34.A N SER 30.A O no hydrogen 2.983 N/A THR 34.A OG1 ASP 31.A O no hydrogen 2.667 N/A ALA 35.A N ASP 31.A O no hydrogen 2.964 N/A LEU 36.A N LEU 32.A O no hydrogen 2.942 N/A CYS 37.A N GLU 33.A O no hydrogen 3.010 N/A CYS 37.A SG GLU 33.A O no hydrogen 3.374 N/A THR 38.A N THR 34.A O no hydrogen 3.053 N/A THR 38.A OG1 THR 34.A O no hydrogen 2.807 N/A ILE 39.A N ALA 35.A O no hydrogen 2.935 N/A ARG 40.A N LEU 36.A O no hydrogen 2.890 N/A ARG 40.A NE PRO 12.A O no hydrogen 2.857 N/A ARG 40.A NH1 ASP 44.A OD1 no hydrogen 2.875 N/A ARG 40.A NH2 VAL 11.A O no hydrogen 2.856 N/A ARG 40.A NH2 PRO 12.A O no hydrogen 3.319 N/A MET 41.A N CYS 37.A O no hydrogen 2.873 N/A PHE 42.A N THR 38.A O no hydrogen 3.161 N/A THR 43.A N ILE 39.A O no hydrogen 2.887 N/A THR 43.A OG1 ILE 39.A O no hydrogen 2.775 N/A ASP 44.A N ARG 40.A O no hydrogen 2.872 N/A LEU 45.A N MET 41.A O no hydrogen 3.212 N/A ASN 46.A N THR 43.A O no hydrogen 3.110 N/A LEU 47.A N PHE 42.A O no hydrogen 3.009 N/A PHE 51.A N LEU 47.A O no hydrogen 3.230 N/A GLN 52.A N GLN 49.A O no hydrogen 3.101 N/A GLN 52.A NE2 GLN 49.A O no hydrogen 3.414 N/A MET 53.A N VAL 48.A O no hydrogen 3.012 N/A VAL 57.A N LYS 54.A O no hydrogen 2.986 N/A LEU 58.A N LYS 54.A O no hydrogen 2.961 N/A CYS 59.A N HIS 55.A O no hydrogen 2.906 N/A CYS 59.A SG HIS 55.A NE2 no hydrogen 3.677 N/A CYS 59.A SG HIS 55.A O no hydrogen 3.339 N/A ARG 60.A N GLU 56.A O no hydrogen 3.013 N/A ARG 60.A NH1 GLY 138.A O no hydrogen 2.810 N/A TRP 61.A N VAL 57.A O no hydrogen 2.923 N/A ILE 62.A N LEU 58.A O no hydrogen 3.021 N/A LEU 63.A N CYS 59.A O no hydrogen 3.055 N/A SER 64.A N ARG 60.A O no hydrogen 2.843 N/A SER 64.A OG ARG 60.A O no hydrogen 3.029 N/A SER 64.A OG ASN 139.A OD1 no hydrogen 2.668 N/A VAL 65.A N TRP 61.A O no hydrogen 2.912 N/A LYS 66.A N ILE 62.A O no hydrogen 2.925 N/A LYS 67.A N LEU 63.A O no hydrogen 2.944 N/A ASN 68.A N SER 64.A O no hydrogen 3.058 N/A ASN 68.A N VAL 65.A O no hydrogen 3.077 N/A ASN 68.A ND2 SER 64.A O no hydrogen 2.763 N/A TYR 69.A N LYS 66.A O no hydrogen 3.264 N/A TYR 69.A OH LEU 114.A O no hydrogen 2.641 N/A TYR 75.A N GLU 226.A OE2 no hydrogen 2.908 N/A HIS 76.A N GLU 226.A OE2 no hydrogen 2.785 N/A HIS 76.A ND1 GLU 226.A OE1 no hydrogen 2.658 N/A ASN 77.A N TYR 75.A O no hydrogen 2.895 N/A ASN 77.A ND2 VAL 73.A O no hydrogen 2.851 N/A ASN 77.A ND2 ALA 74.A O no hydrogen 2.962 N/A TRP 78.A NE1 THR 34.A OG1 no hydrogen 2.952 N/A ARG 79.A NH1 ASP 26.A OD2 no hydrogen 2.844 N/A ARG 79.A NH1 LEU 29.A O no hydrogen 3.139 N/A ARG 79.A NH2 LEU 29.A O no hydrogen 2.836 N/A ARG 79.A NH2 ASP 31.A OD1 no hydrogen 3.013 N/A HIS 80.A N ASN 77.A OD1 no hydrogen 3.331 N/A HIS 80.A NE2 ASP 205.A OD1 no hydrogen 2.762 N/A ALA 81.A N ASN 77.A O no hydrogen 3.168 N/A PHE 82.A N TRP 78.A O no hydrogen 2.805 N/A ASN 83.A N ARG 79.A O no hydrogen 2.873 N/A ASN 83.A ND2 ASP 26.A OD1 no hydrogen 2.958 N/A ASN 83.A ND2 ARG 79.A O no hydrogen 2.953 N/A THR 84.A N HIS 80.A O no hydrogen 2.869 N/A THR 84.A OG1 HIS 80.A O no hydrogen 2.838 N/A ALA 85.A N ALA 81.A O no hydrogen 2.987 N/A GLN 86.A N PHE 82.A O no hydrogen 2.855 N/A GLN 86.A NE2 ILE 19.A O no hydrogen 2.803 N/A GLN 86.A NE2 ASP 21.A O no hydrogen 2.881 N/A CYS 87.A N ASN 83.A O no hydrogen 2.870 N/A MET 88.A N THR 84.A O no hydrogen 2.986 N/A PHE 89.A N ALA 85.A O no hydrogen 2.944 N/A ALA 90.A N GLN 86.A O no hydrogen 2.905 N/A ALA 91.A N CYS 87.A O no hydrogen 2.859 N/A LEU 92.A N MET 88.A O no hydrogen 2.884 N/A LYS 93.A N PHE 89.A O no hydrogen 2.853 N/A LYS 93.A NZ ASP 44.A O no hydrogen 2.959 N/A LYS 93.A NZ GLN 98.A OE1 no hydrogen 3.043 N/A GLY 95.A N ALA 90.A O no hydrogen 2.907 N/A LYS 96.A N LYS 93.A O no hydrogen 3.032 N/A ILE 97.A N ALA 91.A O no hydrogen 3.187 N/A GLN 98.A N LEU 92.A O no hydrogen 3.000 N/A LYS 100.A N ILE 97.A O no hydrogen 2.873 N/A LEU 101.A N GLN 98.A O no hydrogen 3.159 N/A THR 102.A N GLU 105.A OE1 no hydrogen 3.063 N/A GLU 105.A N THR 102.A OG1 no hydrogen 3.172 N/A ILE 106.A N THR 102.A O no hydrogen 3.025 N/A LEU 107.A N ASP 103.A O no hydrogen 2.864 N/A ALA 108.A N LEU 104.A O no hydrogen 2.886 N/A LEU 109.A N GLU 105.A O no hydrogen 2.892 N/A LEU 110.A N ILE 106.A O no hydrogen 3.025 N/A ILE 111.A N LEU 107.A O no hydrogen 3.149 N/A ALA 112.A N ALA 108.A O no hydrogen 2.791 N/A ALA 113.A N LEU 109.A O no hydrogen 2.799 N/A LEU 114.A N LEU 110.A O no hydrogen 3.028 N/A SER 115.A N ILE 111.A O no hydrogen 2.935 N/A SER 115.A N ALA 112.A O no hydrogen 3.174 N/A SER 115.A OG ILE 111.A O no hydrogen 2.803 N/A HIS 116.A ND1 ALA 113.A O no hydrogen 2.772 N/A HIS 116.A NE2 ASP 205.A OD1 no hydrogen 2.702 N/A LEU 118.A N SER 115.A O no hydrogen 3.170 N/A HIS 120.A N ASP 117.A O no hydrogen 3.153 N/A HIS 125.A N ASP 165.A OD1.A no hydrogen 2.715 N/A HIS 125.A ND1 ASP 165.A OD1.A no hydrogen 2.658 N/A LEU 131.A N PHE 127.A O no hydrogen 2.965 N/A MET 132.A N ASP 128.A O no hydrogen 2.961 N/A ILE 133.A N GLN 129.A O no hydrogen 3.065 N/A LEU 134.A N CYS 130.A O no hydrogen 3.032 N/A ASN 135.A N LEU 131.A O no hydrogen 3.020 N/A ASN 135.A N MET 132.A O no hydrogen 3.225 N/A SER 136.A N ILE 133.A O no hydrogen 3.049 N/A SER 136.A OG MET 132.A O no hydrogen 2.986 N/A ASN 139.A N SER 136.A O no hydrogen 2.902 N/A ASN 139.A ND2 PRO 137.A O no hydrogen 3.101 N/A ILE 141.A N ASN 139.A O no hydrogen 2.862 N/A SER 143.A N GLN 140.A O no hydrogen 2.991 N/A SER 143.A OG GLN 140.A O no hydrogen 3.265 N/A LEU 145.A N LEU 142.A O no hydrogen 2.951 N/A SER 146.A N GLU 149.A OE1 no hydrogen 3.004 N/A SER 146.A OG GLU 149.A OE1 no hydrogen 3.445 N/A GLU 149.A N SER 146.A OG no hydrogen 3.184 N/A TYR 150.A N SER 146.A O no hydrogen 2.791 N/A TYR 150.A OH ASN 135.A OD1 no hydrogen 3.322 N/A LYS 151.A N ILE 147.A O no hydrogen 3.023 N/A THR 152.A N GLU 148.A O no hydrogen 3.083 N/A THR 152.A OG1 GLU 148.A O no hydrogen 3.117 N/A THR 153.A N GLU 149.A O no hydrogen 2.899 N/A THR 153.A OG1 GLU 149.A O no hydrogen 2.866 N/A LEU 154.A N TYR 150.A O no hydrogen 2.965 N/A LYS 155.A N LYS 151.A O no hydrogen 3.261 N/A ILE 156.A N THR 152.A O no hydrogen 3.213 N/A ILE 157.A N THR 153.A O no hydrogen 2.869 N/A LYS 158.A N LEU 154.A O no hydrogen 2.970 N/A GLN 159.A N LYS 155.A O no hydrogen 3.113 N/A ALA 160.A N ILE 156.A O no hydrogen 2.861 N/A ILE 161.A N ILE 157.A O no hydrogen 2.947 N/A LEU 162.A N LYS 158.A O no hydrogen 2.951 N/A ALA 163.A N GLN 159.A O no hydrogen 2.855 N/A THR 164.A N ILE 161.A O no hydrogen 3.032 N/A THR 164.A OG1 ILE 161.A O no hydrogen 2.695 N/A ASP 165.A N.A LEU 162.A O no hydrogen 2.967 N/A ASP 165.A N.B LEU 162.A O no hydrogen 2.987 N/A ALA 167.A N ASP 165.A OD1.B no hydrogen 3.013 N/A LEU 168.A N ASP 165.A O.A no hydrogen 3.003 N/A LEU 168.A N ASP 165.A O.B no hydrogen 2.865 N/A TYR 169.A N ASP 165.A O.A no hydrogen 3.239 N/A TYR 169.A N ASP 165.A O.B no hydrogen 3.301 N/A TYR 169.A OH ILE 261.A O no hydrogen 2.732 N/A ILE 170.A N LEU 166.A O no hydrogen 2.898 N/A LYS 171.A N ALA 167.A O no hydrogen 3.114 N/A ARG 172.A N LEU 168.A O no hydrogen 3.029 N/A ARG 172.A N TYR 169.A O no hydrogen 3.253 N/A ARG 173.A NH1 TYR 169.A OH no hydrogen 3.166 N/A ARG 173.A NH1 ALA 260.A O no hydrogen 2.975 N/A ARG 173.A NH2 ALA 260.A O no hydrogen 3.009 N/A PHE 177.A N ARG 173.A O no hydrogen 2.826 N/A GLU 178.A N GLY 174.A O no hydrogen 2.975 N/A LEU 179.A N GLU 175.A O no hydrogen 2.988 N/A ILE 180.A N PHE 176.A O no hydrogen 3.172 N/A ARG 181.A N PHE 177.A O no hydrogen 2.927 N/A ARG 181.A NE GLU 178.A OE1 no hydrogen 3.184 N/A ARG 181.A NE GLU 178.A OE2 no hydrogen 3.310 N/A ARG 181.A NH1 GLU 178.A OE1 no hydrogen 2.686 N/A LYS 182.A N GLU 178.A O no hydrogen 2.883 N/A ASN 183.A N ILE 180.A O no hydrogen 3.097 N/A GLN 184.A N LEU 179.A O no hydrogen 2.743 N/A ASN 186.A N GLN 192.A OE1 no hydrogen 2.637 N/A GLU 188.A N ASN 186.A OD1 no hydrogen 3.212 N/A ASP 189.A N ASN 186.A O no hydrogen 3.068 N/A HIS 191.A N ASP 189.A OD1 no hydrogen 3.104 N/A HIS 191.A NE2 GLU 175.A OE2 no hydrogen 2.709 N/A GLN 192.A NE2 ASP 189.A OD2 no hydrogen 3.502 N/A LYS 193.A N ASP 189.A O no hydrogen 2.778 N/A LYS 193.A NZ GLU 105.A OE1 no hydrogen 2.949 N/A LYS 193.A NZ GLU 105.A OE2 no hydrogen 3.038 N/A GLU 194.A N PRO 190.A O no hydrogen 3.047 N/A LEU 195.A N HIS 191.A O no hydrogen 2.955 N/A PHE 196.A N GLN 192.A O no hydrogen 2.767 N/A LEU 197.A N LYS 193.A O no hydrogen 2.959 N/A ALA 198.A N GLU 194.A O no hydrogen 3.113 N/A MET 199.A N LEU 195.A O no hydrogen 3.069 N/A LEU 200.A N PHE 196.A O no hydrogen 2.845 N/A MET 201.A N LEU 197.A O no hydrogen 3.006 N/A THR 202.A N ALA 198.A O no hydrogen 3.072 N/A THR 202.A OG1 ALA 163.A O no hydrogen 3.570 N/A THR 202.A OG1 ALA 198.A O no hydrogen 3.270 N/A ALA 203.A N MET 199.A O no hydrogen 2.917 N/A CYS 204.A N LEU 200.A O no hydrogen 2.996 N/A CYS 204.A SG LEU 200.A O no hydrogen 3.491 N/A ASP 205.A N MET 201.A O no hydrogen 2.936 N/A LEU 206.A N THR 202.A O no hydrogen 2.942 N/A SER 207.A N CYS 204.A O no hydrogen 3.241 N/A SER 207.A OG CYS 204.A O no hydrogen 2.660 N/A ILE 209.A N LEU 206.A O no hydrogen 3.020 N/A THR 210.A N SER 207.A O no hydrogen 2.894 N/A THR 210.A OG1 SER 207.A O no hydrogen 2.683 N/A LYS 211.A N ALA 208.A O no hydrogen 3.275 N/A LYS 211.A NZ PHE 22.A O no hydrogen 2.801 N/A LYS 211.A NZ PHE 24.A O no hydrogen 2.794 N/A GLN 216.A N PRO 212.A O no hydrogen 2.965 N/A GLN 216.A NE2 ALA 208.A O no hydrogen 2.948 N/A GLN 217.A N TRP 213.A O no hydrogen 2.768 N/A ARG 218.A N PRO 214.A O no hydrogen 3.340 N/A ARG 218.A NH1 GLU 221.A OE2 no hydrogen 2.917 N/A ILE 219.A N ILE 215.A O no hydrogen 2.994 N/A ALA 220.A N GLN 216.A O no hydrogen 2.877 N/A GLU 221.A N GLN 217.A O no hydrogen 3.189 N/A LEU 222.A N ARG 218.A O no hydrogen 3.272 N/A VAL 223.A N ILE 219.A O no hydrogen 2.946 N/A ALA 224.A N ALA 220.A O no hydrogen 3.002 N/A THR 225.A N GLU 221.A O no hydrogen 2.937 N/A THR 225.A OG1 GLU 221.A O no hydrogen 2.850 N/A GLU 226.A N LEU 222.A O no hydrogen 2.969 N/A PHE 227.A N VAL 223.A O no hydrogen 2.964 N/A PHE 228.A N ALA 224.A O no hydrogen 2.954 N/A ASP 229.A N THR 225.A O no hydrogen 3.034 N/A GLN 230.A N GLU 226.A O no hydrogen 3.028 N/A GLY 231.A N PHE 227.A O no hydrogen 3.028 N/A ASP 232.A N PHE 228.A O no hydrogen 3.000 N/A ARG 233.A N ASP 229.A O no hydrogen 2.943 N/A GLU 234.A N GLN 230.A O no hydrogen 2.955 N/A ARG 235.A N GLY 231.A O no hydrogen 3.084 N/A LYS 236.A N ASP 232.A O no hydrogen 3.296 N/A GLU 237.A N ARG 233.A O no hydrogen 2.876 N/A MET 242.A N THR 239.A O no hydrogen 3.287 N/A ASN 243.A N ASP 240.A O no hydrogen 2.959 N/A GLU 245.A N ASN 243.A OD1 no hydrogen 2.814 N/A LYS 246.A N ASN 243.A O no hydrogen 2.898 N/A LYS 249.A N LYS 246.A O no hydrogen 3.174 N/A ILE 250.A N LYS 247.A O no hydrogen 3.126 N/A MET 253.A N LYS 249.A O no hydrogen 2.969 N/A GLN 254.A N ILE 250.A O no hydrogen 2.870 N/A GLN 254.A NE2 GLN 216.A OE1 no hydrogen 3.071 N/A VAL 255.A N PRO 251.A O no hydrogen 3.053 N/A GLY 256.A N SER 252.A O no hydrogen 3.007 N/A PHE 257.A N MET 253.A O no hydrogen 2.815 N/A ILE 258.A N GLN 254.A O no hydrogen 2.928 N/A ASP 259.A N VAL 255.A O no hydrogen 2.904 N/A ALA 260.A N GLY 256.A O no hydrogen 2.843 N/A ILE 261.A N PHE 257.A O no hydrogen 2.912 N/A CYS 262.A N PHE 257.A O no hydrogen 3.318 N/A CYS 262.A N ILE 258.A O no hydrogen 3.132 N/A CYS 262.A SG PHE 257.A O no hydrogen 3.802 N/A LEU 263.A N ILE 258.A O no hydrogen 2.931 N/A LEU 265.A N CYS 262.A O no hydrogen 3.045 N/A TYR 266.A N CYS 262.A O no hydrogen 3.167 N/A TYR 266.A OH ALA 203.A O no hydrogen 2.647 N/A GLU 267.A N LEU 263.A O no hydrogen 2.912 N/A ALA 268.A N GLN 264.A O no hydrogen 2.930 N/A LEU 269.A N LEU 265.A O no hydrogen 2.835 N/A THR 270.A N TYR 266.A O no hydrogen 3.044 N/A THR 270.A OG1 TYR 266.A O no hydrogen 2.733 N/A HIS 271.A N GLU 267.A O no hydrogen 3.110 N/A VAL 272.A N ALA 268.A O no hydrogen 3.100 N/A SER 273.A N LEU 269.A O no hydrogen 2.884 N/A SER 273.A OG GLY 95.A O no hydrogen 2.622 N/A CYS 276.A N SER 273.A O no hydrogen 2.893 N/A CYS 276.A SG GLY 95.A O no hydrogen 3.976 N/A PHE 277.A N GLU 274.A O no hydrogen 2.918 N/A LEU 279.A N CYS 276.A O no hydrogen 3.022 N/A ASP 281.A N PHE 277.A O no hydrogen 2.823 N/A GLY 282.A N PRO 278.A O no hydrogen 2.926 N/A CYS 283.A N LEU 279.A O no hydrogen 3.039 N/A ARG 284.A N LEU 280.A O no hydrogen 2.969 N/A LYS 285.A N ASP 281.A O no hydrogen 2.992 N/A ASN 286.A N GLY 282.A O no hydrogen 3.058 N/A ASN 286.A ND2 ILE 209.A O no hydrogen 2.848 N/A ASN 286.A ND2 LYS 211.A O no hydrogen 2.757 N/A ARG 287.A N CYS 283.A O no hydrogen 3.067 N/A ARG 287.A NH2 ASP 259.A OD1 no hydrogen 2.879 N/A GLN 288.A N ARG 284.A O no hydrogen 3.280 N/A LYS 289.A N LYS 285.A O no hydrogen 3.241 N/A TRP 290.A N ASN 286.A O no hydrogen 2.925 N/A TRP 290.A NE1 GLN 216.A OE1 no hydrogen 2.918 N/A GLN 291.A N ARG 287.A O no hydrogen 2.822 N/A GLN 291.A NE2 GLU 295.A OE2 no hydrogen 2.687 N/A ALA 292.A N GLN 288.A O no hydrogen 3.029 N/A LEU 293.A N LYS 289.A O no hydrogen 3.149 N/A ALA 294.A N TRP 290.A O no hydrogen 2.738 N/A GLU 295.A N GLN 291.A O no hydrogen 3.038 N/A GLN 296.A N ALA 292.A O no hydrogen 3.189 N/A