Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r3x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 3.A OD1 no hydrogen 3.096 N/A PHE 8.A N PHE 5.A O no hydrogen 2.972 N/A GLY 9.A N VAL 24.A O no hydrogen 2.703 N/A GLU 11.A N ALA 22.A O no hydrogen 2.869 N/A ILE 13.A N ILE 20.A O no hydrogen 2.790 N/A THR 15.A OG1 GLY 18.A O no hydrogen 2.545 N/A SER 16.A N GLU 91.A OE1 no hydrogen 2.880 N/A SER 16.A OG GLU 91.A OE1 no hydrogen 3.378 N/A SER 16.A OG GLU 91.A OE2 no hydrogen 2.713 N/A SER 17.A N THR 15.A OG1 no hydrogen 3.053 N/A GLY 18.A N THR 15.A O no hydrogen 3.016 N/A ARG 19.A N ASP 69.A OD1 no hydrogen 2.785 N/A ARG 19.A NE ASP 69.A OD1 no hydrogen 3.088 N/A ARG 19.A NE ASP 69.A OD2 no hydrogen 3.328 N/A ARG 19.A NH1 ASP 69.A OD2 no hydrogen 2.908 N/A ILE 20.A N ILE 13.A O no hydrogen 2.855 N/A PHE 21.A N SER 68.A OG no hydrogen 3.056 N/A ALA 22.A N GLU 11.A O no hydrogen 2.940 N/A ARG 23.A N VAL 59.A O no hydrogen 2.991 N/A ARG 23.A NE GLY 9.A O no hydrogen 3.018 N/A ARG 23.A NH1 ASP 3.A OD1 no hydrogen 3.029 N/A ARG 23.A NH1 PHE 8.A O no hydrogen 2.910 N/A ARG 23.A NH2 ASP 3.A OD1 no hydrogen 2.914 N/A VAL 24.A N GLY 9.A O no hydrogen 2.992 N/A GLY 25.A N VAL 57.A O no hydrogen 3.060 N/A LEU 31.A N LYS 56.A O no hydrogen 2.848 N/A LEU 32.A N ALA 102.A O no hydrogen 2.972 N/A LEU 33.A N ILE 58.A O no hydrogen 2.939 N/A LEU 34.A N ALA 104.A O no hydrogen 2.986 N/A HIS 35.A ND1 GLY 36.A O no hydrogen 2.883 N/A PHE 37.A N ASN 107.A OD1 no hydrogen 2.865 N/A GLN 39.A N GLY 36.A O no hydrogen 2.968 N/A GLN 39.A NE2 GLU 277.A OE2 no hydrogen 2.846 N/A HIS 41.A N ASP 61.A OD1 no hydrogen 2.946 N/A HIS 41.A ND1 ASP 61.A OD1 no hydrogen 2.757 N/A VAL 42.A N THR 40.A OG1 no hydrogen 3.427 N/A MET 43.A N.A THR 40.A O no hydrogen 3.160 N/A MET 43.A N.B THR 40.A O no hydrogen 3.152 N/A TRP 44.A N HIS 41.A O no hydrogen 3.199 N/A HIS 45.A N VAL 42.A O no hydrogen 2.946 N/A VAL 47.A N TRP 44.A O no hydrogen 3.255 N/A ALA 48.A N TRP 44.A O no hydrogen 2.912 N/A LEU 51.A N VAL 47.A O no hydrogen 3.039 N/A ALA 52.A N ALA 48.A O no hydrogen 2.902 N/A GLU 53.A N LYS 50.A O no hydrogen 3.364 N/A ARG 54.A N LEU 51.A O no hydrogen 3.041 N/A PHE 55.A N LEU 51.A O no hydrogen 2.948 N/A LYS 56.A N PRO 29.A O no hydrogen 3.048 N/A VAL 57.A N GLY 25.A O no hydrogen 2.752 N/A ILE 58.A N LEU 31.A O no hydrogen 2.858 N/A VAL 59.A N ARG 23.A O no hydrogen 2.800 N/A ALA 60.A N LEU 33.A O no hydrogen 3.362 N/A ASP 61.A N PHE 21.A O no hydrogen 2.894 N/A LEU 62.A N HIS 35.A NE2 no hydrogen 3.088 N/A GLY 64.A N ASP 69.A O no hydrogen 3.051 N/A TYR 65.A N LEU 62.A O no hydrogen 2.967 N/A TYR 65.A OH ASP 215.A OD1 no hydrogen 2.579 N/A TRP 67.A N ASP 61.A OD2 no hydrogen 2.815 N/A SER 68.A N TYR 65.A O no hydrogen 3.035 N/A SER 68.A OG ASP 61.A O no hydrogen 2.758 N/A ASP 69.A N ARG 19.A O no hydrogen 2.976 N/A SER 73.A OG GLU 214.A OE1 no hydrogen 2.519 N/A GLN 76.A N ASP 74.A OD2 no hydrogen 2.911 N/A HIS 77.A N ASP 74.A O no hydrogen 3.058 N/A HIS 77.A ND1 GLU 214.A OE1 no hydrogen 2.847 N/A THR 78.A N ASP 74.A OD2 no hydrogen 3.140 N/A THR 78.A OG1 ASP 74.A OD1 no hydrogen 3.053 N/A THR 78.A OG1 ASP 74.A OD2 no hydrogen 3.154 N/A TYR 80.A N HIS 77.A O no hydrogen 3.021 N/A TYR 80.A OH PRO 71.A O no hydrogen 2.695 N/A THR 81.A N THR 78.A O no hydrogen 3.062 N/A THR 81.A OG1 THR 78.A O no hydrogen 2.725 N/A LYS 82.A N ASP 223.A OD1 no hydrogen 2.886 N/A LYS 82.A NZ TYR 80.A O no hydrogen 2.792 N/A LYS 82.A NZ ASP 215.A O no hydrogen 3.478 N/A LYS 82.A NZ ASP 215.A OD2 no hydrogen 2.696 N/A LYS 82.A NZ ASP 223.A OD2 no hydrogen 2.841 N/A ARG 83.A NE ASP 119.A OD2 no hydrogen 2.840 N/A ARG 83.A NH1 ASP 119.A OD1 no hydrogen 2.975 N/A ALA 84.A N THR 81.A OG1 no hydrogen 3.244 N/A MET 85.A N THR 81.A O no hydrogen 2.929 N/A ALA 86.A N LYS 82.A O no hydrogen 2.894 N/A LYS 87.A N ARG 83.A O no hydrogen 3.098 N/A GLN 88.A N ALA 84.A O no hydrogen 2.914 N/A GLN 88.A NE2 THR 15.A OG1 no hydrogen 3.262 N/A GLN 88.A NE2 GLY 18.A O no hydrogen 3.104 N/A LEU 89.A N MET 85.A O no hydrogen 2.939 N/A ILE 90.A N ALA 86.A O no hydrogen 2.884 N/A GLU 91.A N LYS 87.A O no hydrogen 3.081 N/A ALA 92.A N GLN 88.A O no hydrogen 2.974 N/A MET 93.A N LEU 89.A O no hydrogen 2.831 N/A GLU 94.A N ILE 90.A O no hydrogen 2.949 N/A GLN 95.A N GLU 91.A O no hydrogen 3.140 N/A GLN 95.A N ALA 92.A O no hydrogen 3.156 N/A LEU 96.A N MET 93.A O no hydrogen 2.994 N/A GLY 97.A N GLU 94.A O no hydrogen 2.942 N/A HIS 98.A N MET 93.A O no hydrogen 2.937 N/A HIS 100.A ND1 GLY 122.A O no hydrogen 2.930 N/A PHE 101.A N ARG 123.A O no hydrogen 2.869 N/A ALA 102.A N PRO 30.A O no hydrogen 3.055 N/A LEU 103.A N LYS 126.A O no hydrogen 3.136 N/A ALA 104.A N LEU 32.A O no hydrogen 2.933 N/A GLY 105.A N ALA 128.A O no hydrogen 3.064 N/A HIS 106.A N LEU 34.A O no hydrogen 2.979 N/A HIS 106.A NE2 HIS 273.A O no hydrogen 2.838 N/A ASN 107.A ND2 HIS 273.A NE2 no hydrogen 2.765 N/A ARG 108.A N ASN 107.A OD1 no hydrogen 2.689 N/A ARG 108.A NE ASP 215.A OD1 no hydrogen 3.487 N/A ARG 108.A NE ASP 215.A OD2 no hydrogen 2.916 N/A ARG 108.A NH2 ASP 215.A O no hydrogen 3.286 N/A ARG 108.A NH2 ASP 215.A OD2 no hydrogen 3.010 N/A ARG 111.A N ASN 107.A O no hydrogen 3.203 N/A ARG 111.A NH2 LEU 133.A O no hydrogen 2.803 N/A ARG 111.A NH2 THR 135.A OG1 no hydrogen 3.058 N/A VAL 112.A N ARG 108.A O no hydrogen 2.942 N/A SER 113.A N GLY 109.A O no hydrogen 3.062 N/A SER 113.A OG GLY 109.A O no hydrogen 2.776 N/A TYR 114.A N ALA 110.A O no hydrogen 2.994 N/A TYR 114.A OH ASP 227.A OD1 no hydrogen 3.301 N/A TYR 114.A OH ASP 227.A OD2 no hydrogen 2.372 N/A ARG 115.A N ARG 111.A O no hydrogen 3.113 N/A ARG 115.A NH1 ASP 119.A OD1 no hydrogen 2.987 N/A ARG 115.A NH1 ASP 230.A OD2 no hydrogen 2.759 N/A ARG 115.A NH2 ASP 227.A OD1 no hydrogen 2.845 N/A ARG 115.A NH2 ASP 230.A OD2 no hydrogen 2.868 N/A LEU 116.A N VAL 112.A O no hydrogen 2.834 N/A ALA 117.A N SER 113.A O no hydrogen 3.030 N/A LEU 118.A N TYR 114.A O no hydrogen 2.873 N/A ASP 119.A N ARG 115.A O no hydrogen 2.940 N/A ASP 119.A N LEU 116.A O no hydrogen 3.194 N/A SER 120.A N LEU 116.A O no hydrogen 2.752 N/A ARG 123.A N SER 120.A O no hydrogen 3.006 N/A ARG 123.A NH1 GLU 94.A OE1 no hydrogen 2.937 N/A ARG 123.A NH2 GLU 94.A OE1 no hydrogen 2.819 N/A LEU 124.A N PRO 121.A O no hydrogen 3.151 N/A SER 125.A N PHE 101.A O no hydrogen 2.965 N/A LYS 126.A NZ PHE 290.A O no hydrogen 2.978 N/A LEU 127.A N PRO 240.A O no hydrogen 3.079 N/A ALA 128.A N LEU 103.A O no hydrogen 2.761 N/A VAL 129.A N LEU 242.A O no hydrogen 2.983 N/A LEU 130.A N GLY 105.A O no hydrogen 2.878 N/A ASP 131.A N LEU 244.A O no hydrogen 2.769 N/A THR 135.A N TYR 114.A OH no hydrogen 2.865 N/A TYR 136.A N ASP 227.A OD2 no hydrogen 3.068 N/A TYR 138.A N PRO 134.A O no hydrogen 3.115 N/A TYR 138.A OH ILE 150.A O no hydrogen 2.632 N/A TRP 139.A N THR 135.A O no hydrogen 3.210 N/A TRP 139.A NE1 GLY 219.A O no hydrogen 2.974 N/A GLN 140.A N TYR 136.A O no hydrogen 2.860 N/A ARG 141.A N GLU 137.A O no hydrogen 3.130 N/A ARG 141.A NH2 GLU 137.A O no hydrogen 3.415 N/A ARG 141.A NH2 GLU 137.A OE1 no hydrogen 2.417 N/A MET 142.A N TRP 139.A O no hydrogen 3.049 N/A TYR 146.A N ASN 143.A OD1 no hydrogen 2.972 N/A ALA 147.A N ASN 143.A O no hydrogen 2.781 N/A LEU 148.A N ARG 144.A O no hydrogen 3.009 N/A LYS 149.A N ALA 145.A O no hydrogen 3.068 N/A ILE 150.A N TYR 146.A O no hydrogen 2.879 N/A TYR 151.A OH TYR 174.A OH no hydrogen 2.724 N/A HIS 152.A NE2 TYR 216.A OH no hydrogen 3.109 N/A SER 154.A N TYR 151.A O no hydrogen 3.193 N/A PHE 155.A N TYR 151.A O no hydrogen 3.206 N/A LEU 156.A N HIS 152.A O no hydrogen 2.926 N/A GLN 158.A N PHE 155.A O no hydrogen 3.212 N/A GLN 158.A NE2 SER 154.A O no hydrogen 2.987 N/A LEU 162.A N PRO 159.A O no hydrogen 3.195 N/A GLU 164.A N GLU 164.A OE2 no hydrogen 2.900 N/A ASN 165.A N.A PRO 161.A O no hydrogen 2.911 N/A ASN 165.A N.B PRO 161.A O no hydrogen 2.880 N/A LEU 166.A N LEU 162.A O no hydrogen 3.107 N/A LEU 167.A N PRO 163.A O no hydrogen 2.934 N/A GLY 168.A N GLU 164.A O no hydrogen 3.254 N/A GLY 168.A N ASN 165.A O.B no hydrogen 3.420 N/A TYR 174.A OH TYR 151.A OH no hydrogen 2.724 N/A VAL 175.A N PRO 171.A O no hydrogen 3.182 N/A LYS 176.A N ASP 172.A O no hydrogen 2.946 N/A ALA 177.A N PHE 173.A O no hydrogen 3.024 N/A LYS 178.A N TYR 174.A O no hydrogen 3.036 N/A LYS 178.A NZ TYR 151.A OH no hydrogen 2.595 N/A LYS 178.A NZ TYR 174.A OH no hydrogen 3.407 N/A LEU 179.A N VAL 175.A O no hydrogen 3.149 N/A ALA 180.A N LYS 176.A O no hydrogen 3.090 N/A SER 181.A N.A ALA 177.A O no hydrogen 2.923 N/A SER 181.A N.B ALA 177.A O no hydrogen 2.900 N/A SER 181.A OG.A ALA 177.A O no hydrogen 2.668 N/A TRP 182.A N LYS 178.A O no hydrogen 3.299 N/A THR 183.A N ALA 180.A O no hydrogen 3.159 N/A THR 183.A OG1 ALA 180.A O no hydrogen 2.838 N/A THR 183.A OG1 ASP 187.A O no hydrogen 3.078 N/A ARG 184.A N GLU 278.A OE1 no hydrogen 2.978 N/A ARG 184.A NE GLU 270.A OE1 no hydrogen 2.895 N/A ARG 184.A NH1 ARG 184.A O no hydrogen 3.513 N/A GLY 186.A N THR 183.A OG1 no hydrogen 3.051 N/A SER 189.A N ASP 187.A OD1 no hydrogen 2.860 N/A SER 189.A OG ASP 187.A OD1 no hydrogen 2.715 N/A PHE 191.A N LEU 188.A O no hydrogen 3.118 N/A ARG 194.A N ASP 192.A OD2 no hydrogen 2.925 N/A ARG 194.A NE ASP 192.A OD2 no hydrogen 3.181 N/A ARG 194.A NH1 ASP 192.A OD1 no hydrogen 2.800 N/A VAL 196.A N ASP 192.A O no hydrogen 3.023 N/A GLU 197.A N PRO 193.A O no hydrogen 3.048 N/A HIS 198.A N ARG 194.A O no hydrogen 3.362 N/A HIS 198.A NE2 ALA 2.A O no hydrogen 2.897 N/A TYR 199.A N ALA 195.A O no hydrogen 3.264 N/A TYR 199.A OH GLU 277.A OE1 no hydrogen 2.694 N/A ARG 200.A N VAL 196.A O no hydrogen 2.888 N/A ARG 200.A NE GLU 197.A OE2 no hydrogen 2.958 N/A ARG 200.A NH1 GLU 197.A OE1 no hydrogen 2.805 N/A ARG 200.A NH2 ASP 172.A OD1 no hydrogen 3.084 N/A ARG 200.A NH2 ASP 172.A OD2 no hydrogen 3.374 N/A ILE 201.A N GLU 197.A O no hydrogen 3.019 N/A ALA 202.A N HIS 198.A O no hydrogen 3.125 N/A PHE 203.A N TYR 199.A O no hydrogen 2.908 N/A ALA 204.A N ARG 200.A O no hydrogen 3.004 N/A ALA 204.A N ILE 201.A O no hydrogen 3.290 N/A ASP 205.A N ALA 202.A O no hydrogen 3.287 N/A MET 207.A N.A ASP 205.A OD1 no hydrogen 3.165 N/A MET 207.A N.B ASP 205.A OD1 no hydrogen 3.187 N/A ARG 208.A N ASP 205.A O no hydrogen 2.868 N/A ARG 208.A NH1 SER 68.A O no hydrogen 3.096 N/A ARG 208.A NH2 GLY 64.A O no hydrogen 2.978 N/A ARG 208.A NH2 SER 68.A O no hydrogen 2.799 N/A ARG 209.A N ASP 205.A O no hydrogen 2.975 N/A ARG 209.A NH2 PHE 203.A O no hydrogen 2.868 N/A HIS 210.A N PRO 206.A O no hydrogen 2.927 N/A HIS 210.A ND1 GLU 164.A OE1 no hydrogen 2.816 N/A VAL 211.A N MET 207.A O.A no hydrogen 3.259 N/A VAL 211.A N MET 207.A O.B no hydrogen 3.260 N/A MET 212.A N ARG 208.A O no hydrogen 3.261 N/A CYS 213.A N ARG 209.A O no hydrogen 3.061 N/A CYS 213.A SG ARG 209.A O no hydrogen 3.552 N/A GLU 214.A N HIS 210.A O no hydrogen 2.912 N/A ASP 215.A N VAL 211.A O no hydrogen 2.827 N/A TYR 216.A N MET 212.A O no hydrogen 2.997 N/A TYR 216.A OH HIS 152.A NE2 no hydrogen 3.109 N/A ARG 217.A N CYS 213.A O no hydrogen 2.841 N/A ARG 217.A NE GLN 158.A O no hydrogen 2.901 N/A ARG 217.A NH1 GLN 158.A O no hydrogen 2.918 N/A ARG 217.A NH1 GLU 164.A OE1 no hydrogen 3.252 N/A ARG 217.A NH1 GLU 164.A OE2 no hydrogen 2.851 N/A ARG 217.A NH2 GLU 164.A OE1 no hydrogen 2.826 N/A ARG 217.A NH2 GLU 214.A OE2 no hydrogen 2.853 N/A ALA 218.A N GLU 214.A O no hydrogen 2.896 N/A GLY 219.A N ASP 215.A O no hydrogen 2.899 N/A ALA 220.A N TYR 216.A O no hydrogen 3.015 N/A ALA 220.A N ARG 217.A O no hydrogen 3.023 N/A TYR 221.A N ALA 218.A O no hydrogen 3.233 N/A ASP 223.A N ALA 218.A O no hydrogen 2.881 N/A GLU 225.A N TYR 221.A O no hydrogen 3.157 N/A HIS 226.A N ALA 222.A O no hydrogen 2.844 N/A ASP 227.A N ASP 223.A O no hydrogen 3.056 N/A LYS 228.A N PHE 224.A O no hydrogen 2.853 N/A LYS 228.A NZ GLU 232.A OE1 no hydrogen 2.737 N/A LYS 228.A NZ GLU 232.A OE2 no hydrogen 3.360 N/A ILE 229.A N GLU 225.A O no hydrogen 3.094 N/A ASP 230.A N HIS 226.A O no hydrogen 3.407 N/A VAL 231.A N ASP 227.A O no hydrogen 2.880 N/A GLU 232.A N LYS 228.A O no hydrogen 2.871 N/A ALA 233.A N ILE 229.A O no hydrogen 2.981 N/A GLY 234.A N VAL 231.A O no hydrogen 3.019 N/A ASN 235.A N ASP 230.A O no hydrogen 2.997 N/A ASN 235.A ND2 ASP 230.A OD1 no hydrogen 2.964 N/A LYS 236.A NZ ARG 258.A O no hydrogen 2.913 N/A ILE 237.A N TRP 260.A O no hydrogen 2.683 N/A MET 241.A N ASP 263.A O no hydrogen 2.869 N/A LEU 242.A N LEU 127.A O no hydrogen 2.913 N/A ALA 243.A N GLN 265.A O no hydrogen 2.889 N/A LEU 244.A N VAL 129.A O no hydrogen 3.016 N/A TRP 245.A N ALA 267.A O no hydrogen 3.280 N/A GLY 246.A N ASP 131.A OD2 no hydrogen 2.917 N/A ALA 247.A N ILE 269.A O no hydrogen 2.922 N/A SER 248.A N SER 271.A O no hydrogen 2.916 N/A GLY 249.A N GLY 246.A O no hydrogen 2.936 N/A ILE 250.A N ASP 131.A OD1 no hydrogen 2.819 N/A THR 252.A OG1 ASP 255.A OD2 no hydrogen 3.421 N/A ASP 255.A N THR 252.A OG1 no hydrogen 3.212 N/A VAL 256.A N THR 252.A O no hydrogen 3.250 N/A TRP 257.A N PRO 253.A O no hydrogen 2.884 N/A TRP 257.A NE1 ILE 132.A O no hydrogen 2.880 N/A ARG 258.A N LEU 254.A O no hydrogen 3.025 N/A ARG 258.A NH2 ASP 255.A OD1 no hydrogen 2.986 N/A LYS 259.A N VAL 256.A O no hydrogen 3.110 N/A LYS 259.A NZ GLU 137.A OE2 no hydrogen 3.326 N/A TRP 260.A N TRP 257.A O no hydrogen 2.810 N/A TRP 260.A NE1 GLU 137.A OE2 no hydrogen 3.033 N/A SER 262.A N ILE 237.A O no hydrogen 2.977 N/A SER 262.A OG ILE 237.A O no hydrogen 3.410 N/A GLN 265.A N MET 241.A O no hydrogen 2.948 N/A ALA 267.A N ALA 243.A O no hydrogen 3.174 N/A ILE 269.A N TRP 245.A O no hydrogen 2.895 N/A SER 271.A OG GLY 272.A O no hydrogen 2.745 N/A GLY 272.A N GLU 278.A OE1 no hydrogen 2.965 N/A HIS 273.A N TRP 182.A O no hydrogen 2.944 N/A HIS 273.A ND1 ASP 131.A OD1 no hydrogen 2.694 N/A PHE 274.A N GLU 278.A OE2 no hydrogen 2.983 N/A LEU 275.A N HIS 273.A O no hydrogen 2.952 N/A GLU 277.A N PHE 274.A O no hydrogen 3.142 N/A GLU 278.A N PHE 274.A O no hydrogen 2.892 N/A ALA 279.A N LEU 275.A O no hydrogen 2.867 N/A THR 283.A N ALA 279.A O no hydrogen 2.969 N/A THR 283.A OG1 LEU 275.A O no hydrogen 3.127 N/A THR 283.A OG1 ALA 279.A O no hydrogen 2.758 N/A ALA 284.A N PRO 280.A O no hydrogen 2.864 N/A GLU 285.A N ASP 281.A O no hydrogen 2.921 N/A ALA 286.A N GLN 282.A O no hydrogen 2.980 N/A LEU 287.A N THR 283.A O no hydrogen 3.069 N/A VAL 288.A N ALA 284.A O no hydrogen 2.908 N/A ARG 289.A N GLU 285.A O no hydrogen 3.043 N/A ARG 289.A NH2 GLU 285.A OE2 no hydrogen 2.759 N/A PHE 290.A N ALA 286.A O no hydrogen 3.044 N/A PHE 291.A N LEU 287.A O no hydrogen 2.867 N/A SER 292.A N VAL 288.A O no hydrogen 2.948 N/A SER 292.A OG VAL 288.A O no hydrogen 2.429 N/A ALA 293.A N ARG 289.A O no hydrogen 3.088 N/A