Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fxx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A NE2 GLU 10.A OE1 no hydrogen 2.599 N/A PHE 7.A N VAL 4.A O no hydrogen 3.036 N/A LEU 11.A N VAL 83.A O no hydrogen 2.727 N/A THR 14.A N ASP 12.A OD1 no hydrogen 3.071 N/A THR 14.A OG1 ASP 12.A OD1 no hydrogen 2.982 N/A ASN 15.A N ASP 12.A O no hydrogen 2.946 N/A ILE 16.A N ALA 13.A O no hydrogen 3.181 N/A SER 17.A N ARG 34.A O no hydrogen 2.893 N/A ASP 19.A N SER 32.A O no hydrogen 2.797 N/A VAL 22.A N VAL 30.A O no hydrogen 2.814 N/A GLY 23.A N VAL 30.A O no hydrogen 3.228 N/A GLY 25.A N GLY 28.A O no hydrogen 2.770 N/A VAL 30.A N GLY 23.A O no hydrogen 2.919 N/A CYS 31.A N ILE 47.A O no hydrogen 2.754 N/A SER 32.A N LYS 20.A O no hydrogen 2.879 N/A SER 32.A OG LYS 20.A O no hydrogen 3.540 N/A GLY 33.A N VAL 45.A O no hydrogen 2.903 N/A ARG 34.A N SER 17.A O no hydrogen 2.864 N/A ARG 34.A NE.A GLU 42.A OE1 no hydrogen 3.183 N/A ARG 34.A NH1.B SER 44.A OG no hydrogen 2.676 N/A ARG 34.A NH2.A GLU 42.A OE1 no hydrogen 2.684 N/A LEU 35.A N ILE 43.A O no hydrogen 2.888 N/A LYS 36.A N ASN 15.A O no hydrogen 2.800 N/A LYS 36.A NZ LYS 40.A O no hydrogen 2.973 N/A LYS 36.A NZ GLU 42.A OE2 no hydrogen 2.722 N/A LEU 37.A N LYS 41.A O no hydrogen 2.792 N/A LYS 40.A N LEU 37.A O no hydrogen 2.794 N/A LYS 41.A N SER 39.A OG no hydrogen 3.270 N/A ILE 43.A N LEU 35.A O no hydrogen 2.981 N/A VAL 45.A N GLY 33.A O no hydrogen 2.987 N/A ALA 46.A N THR 94.A O no hydrogen 2.848 N/A ILE 47.A N CYS 31.A O no hydrogen 2.724 N/A LYS 48.A N ILE 92.A O no hydrogen 2.878 N/A THR 49.A N GLU 29.A O no hydrogen 3.210 N/A LEU 50.A N VAL 90.A O no hydrogen 2.938 N/A LYS 51.A N PHE 27.A O no hydrogen 2.771 N/A THR 55.A N GLN 58.A OE1 no hydrogen 2.946 N/A LYS 57.A NZ ASP 61.A OD1 no hydrogen 3.511 N/A LYS 57.A NZ ASP 61.A OD2 no hydrogen 3.283 N/A GLN 58.A N THR 55.A OG1 no hydrogen 3.044 N/A ARG 59.A N THR 55.A O no hydrogen 2.988 N/A ARG 60.A N GLU 56.A O no hydrogen 2.963 N/A ASP 61.A N LYS 57.A O no hydrogen 2.882 N/A PHE 62.A N GLN 58.A O no hydrogen 2.838 N/A LEU 63.A N ARG 59.A O no hydrogen 2.936 N/A GLY 64.A N ARG 60.A O no hydrogen 2.801 N/A GLU 65.A N.A ASP 61.A O no hydrogen 3.145 N/A GLU 65.A N.B ASP 61.A O no hydrogen 3.145 N/A SER 67.A N LEU 63.A O no hydrogen 2.854 N/A SER 67.A OG.A LEU 63.A O no hydrogen 2.957 N/A SER 67.A OG.B GLY 64.A O no hydrogen 2.601 N/A ILE 68.A N GLY 64.A O no hydrogen 3.123 N/A MET 69.A N GLU 65.A O.A no hydrogen 3.101 N/A MET 69.A N GLU 65.A O.B no hydrogen 3.006 N/A GLY 70.A N ALA 66.A O no hydrogen 2.865 N/A GLN 71.A N ILE 68.A O no hydrogen 2.972 N/A GLN 71.A NE2 SER 67.A O no hydrogen 3.038 N/A PHE 72.A N MET 69.A O no hydrogen 3.036 N/A ASN 76.A N HIS 74.A ND1 no hydrogen 2.953 N/A ASN 76.A ND2 CYS 155.A O no hydrogen 3.015 N/A ILE 77.A N HIS 74.A O no hydrogen 3.213 N/A ILE 78.A N VAL 157.A O no hydrogen 2.990 N/A ARG 79.A N GLU 95.A OE2 no hydrogen 2.785 N/A ARG 79.A NE GLU 81.A OE2 no hydrogen 2.956 N/A GLU 81.A N VAL 93.A O no hydrogen 2.810 N/A GLY 82.A N VAL 93.A O no hydrogen 3.269 N/A VAL 83.A N LYS 9.A O no hydrogen 2.826 N/A VAL 84.A N MET 91.A O no hydrogen 2.913 N/A THR 85.A N GLU 10.A OE2 no hydrogen 2.818 N/A THR 85.A OG1 GLU 10.A OE1 no hydrogen 2.717 N/A THR 85.A OG1 GLU 10.A OE2 no hydrogen 3.440 N/A LYS 86.A N GLU 10.A OE2 no hydrogen 2.995 N/A LYS 88.A NZ TYR 54.A OH no hydrogen 2.905 N/A MET 91.A N VAL 84.A O no hydrogen 2.914 N/A ILE 92.A N LYS 48.A O no hydrogen 2.870 N/A VAL 93.A N GLY 82.A O no hydrogen 2.907 N/A THR 94.A N ALA 46.A O no hydrogen 2.926 N/A GLU 95.A N ARG 79.A O no hydrogen 3.001 N/A TYR 96.A N SER 44.A O no hydrogen 3.346 N/A GLU 98.A N GLU 98.A OE1.A no hydrogen 2.815 N/A ASN 99.A N ILE 149.A O no hydrogen 3.000 N/A ASN 99.A ND2 ASN 150.A O no hydrogen 2.958 N/A GLY 100.A N MET 97.A O no hydrogen 3.045 N/A SER 101.A OG.B ASP 103.A OD1 no hydrogen 3.320 N/A SER 101.A OG.B SER 104.A OG.A no hydrogen 2.373 N/A SER 101.A OG.B SER 104.A OG.B no hydrogen 3.027 N/A LEU 102.A N ILE 147.A O no hydrogen 2.795 N/A SER 104.A OG.A SER 101.A O.A no hydrogen 2.953 N/A SER 104.A OG.A SER 101.A O.B no hydrogen 3.196 N/A SER 104.A OG.A SER 101.A OG.B no hydrogen 2.373 N/A SER 104.A OG.B SER 101.A OG.B no hydrogen 3.027 N/A PHE 105.A N SER 101.A O.A no hydrogen 2.964 N/A PHE 105.A N SER 101.A O.B no hydrogen 3.025 N/A LEU 106.A N LEU 102.A O no hydrogen 2.901 N/A ARG 107.A N ASP 103.A O no hydrogen 3.106 N/A ARG 107.A NH1 ASP 103.A OD2 no hydrogen 3.326 N/A ARG 107.A NH1 GLY 207.A O no hydrogen 2.830 N/A ARG 107.A NH2 ASP 103.A OD2 no hydrogen 2.973 N/A LYS 108.A N SER 104.A O.B no hydrogen 3.264 N/A LYS 108.A N PHE 105.A O no hydrogen 3.171 N/A HIS 109.A N LEU 106.A O no hydrogen 2.935 N/A HIS 109.A ND1 GLN 112.A OE1 no hydrogen 2.916 N/A GLN 112.A N HIS 109.A O no hydrogen 2.898 N/A GLN 112.A NE2 LYS 108.A O no hydrogen 3.678 N/A PHE 113.A N TYR 206.A OH no hydrogen 3.039 N/A THR 114.A N GLN 117.A OE1 no hydrogen 2.976 N/A THR 114.A OG1 GLN 117.A OE1 no hydrogen 3.494 N/A GLN 117.A N THR 114.A OG1 no hydrogen 3.027 N/A LEU 118.A N THR 114.A O no hydrogen 3.133 N/A VAL 119.A N VAL 115.A O no hydrogen 2.847 N/A GLY 120.A N ILE 116.A O no hydrogen 2.864 N/A MET 121.A N GLN 117.A O no hydrogen 3.153 N/A LEU 122.A N LEU 118.A O no hydrogen 3.023 N/A ARG 123.A N VAL 119.A O no hydrogen 2.816 N/A ARG 123.A NE ASP 265.A OD1 no hydrogen 2.741 N/A ARG 123.A NH2 ASP 265.A OD1 no hydrogen 3.437 N/A ARG 123.A NH2 ASP 265.A OD2 no hydrogen 3.064 N/A GLY 124.A N GLY 120.A O no hydrogen 3.221 N/A ILE 125.A N MET 121.A O no hydrogen 3.154 N/A ALA 126.A N LEU 122.A O no hydrogen 2.959 N/A SER 127.A N ARG 123.A O no hydrogen 2.871 N/A SER 127.A OG.B ARG 123.A O no hydrogen 3.304 N/A GLY 128.A N GLY 124.A O no hydrogen 2.960 N/A MET 129.A N ILE 125.A O no hydrogen 3.003 N/A LYS 130.A N ALA 126.A O no hydrogen 2.835 N/A LYS 130.A NZ ASP 134.A OD2 no hydrogen 2.719 N/A TYR 131.A N SER 127.A O no hydrogen 3.180 N/A LEU 132.A N GLY 128.A O no hydrogen 2.919 N/A SER 133.A N MET 129.A O no hydrogen 2.867 N/A SER 133.A OG MET 129.A O no hydrogen 2.777 N/A SER 133.A OG LYS 130.A O no hydrogen 2.906 N/A ASP 134.A N LYS 130.A O no hydrogen 2.869 N/A MET 135.A N TYR 131.A O no hydrogen 2.927 N/A MET 135.A N LEU 132.A O no hydrogen 3.185 N/A GLY 136.A N SER 133.A O no hydrogen 3.057 N/A TYR 137.A N LEU 132.A O no hydrogen 3.293 N/A TYR 137.A OH GLN 71.A OE1 no hydrogen 2.584 N/A VAL 138.A N ARG 164.A O no hydrogen 2.804 N/A HIS 139.A N ASP 192.A OD2 no hydrogen 2.837 N/A HIS 139.A NE2 SER 158.A O no hydrogen 2.917 N/A ARG 140.A N ASP 192.A OD1 no hydrogen 3.094 N/A ARG 140.A NH1 LEU 162.A O no hydrogen 3.105 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 3.043 N/A ALA 144.A N GLU 202.A OE1 no hydrogen 2.863 N/A ARG 145.A NH1 ASP 141.A OD1 no hydrogen 2.890 N/A ASN 146.A N ALA 143.A O no hydrogen 2.817 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.904 N/A ILE 147.A N ALA 144.A O no hydrogen 3.100 N/A LEU 148.A N LYS 156.A O no hydrogen 3.005 N/A ILE 149.A N GLY 100.A O no hydrogen 2.889 N/A ASN 150.A N VAL 154.A O no hydrogen 3.020 N/A SER 151.A N GLU 98.A OE1.A no hydrogen 3.126 N/A ASN 152.A N ASN 150.A OD1 no hydrogen 2.972 N/A LEU 153.A N ASN 150.A O no hydrogen 3.008 N/A VAL 154.A N ASN 150.A OD1 no hydrogen 3.002 N/A CYS 155.A SG LEU 153.A O no hydrogen 3.804 N/A LYS 156.A N LEU 148.A O no hydrogen 2.921 N/A LYS 156.A NZ PRO 75.A O no hydrogen 3.076 N/A LYS 156.A NZ GLU 95.A OE1 no hydrogen 2.792 N/A LYS 156.A NZ GLU 95.A OE2 no hydrogen 3.393 N/A VAL 157.A N ASN 76.A O no hydrogen 2.925 N/A SER 158.A N ASN 146.A O no hydrogen 2.911 N/A SER 158.A OG.B ASN 146.A O no hydrogen 2.819 N/A PHE 160.A N GLU 65.A OE2.A no hydrogen 2.916 N/A GLY 161.A N ASP 159.A OD1 no hydrogen 3.191 N/A SER 163.A N PHE 160.A O no hydrogen 3.173 N/A SER 163.A OG VAL 138.A O no hydrogen 3.169 N/A ARG 164.A N VAL 138.A O no hydrogen 2.908 N/A LEU 166.A N GLY 136.A O no hydrogen 2.818 N/A ARG 175.A NE PRO 210.A O no hydrogen 2.719 N/A ARG 175.A NH1 MET 214.A O no hydrogen 3.150 N/A ARG 175.A NH1 ASN 216.A OD1 no hydrogen 2.905 N/A ARG 175.A NH2 TYR 211.A O no hydrogen 3.409 N/A ARG 175.A NH2 TRP 212.A O no hydrogen 2.771 N/A ARG 175.A NH2 MET 214.A O no hydrogen 2.643 N/A TRP 176.A N PRO 173.A O no hydrogen 2.860 N/A TRP 176.A NE1 GLU 202.A OE1 no hydrogen 2.991 N/A THR 177.A N ILE 174.A O no hydrogen 3.111 N/A THR 177.A OG1 PRO 173.A O no hydrogen 2.709 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.866 N/A ALA 181.A N SER 178.A OG no hydrogen 3.170 N/A ILE 182.A N SER 178.A O no hydrogen 2.946 N/A ALA 183.A N PRO 179.A O no hydrogen 2.864 N/A TYR 184.A N GLU 180.A O no hydrogen 3.098 N/A ARG 185.A N ALA 181.A O no hydrogen 2.948 N/A LYS 186.A N GLU 180.A O no hydrogen 3.380 N/A PHE 187.A N ARG 185.A O no hydrogen 3.013 N/A THR 188.A N SER 191.A OG no hydrogen 2.889 N/A SER 191.A N THR 188.A O no hydrogen 2.957 N/A SER 191.A N THR 188.A OG1 no hydrogen 3.307 N/A SER 191.A OG THR 188.A O no hydrogen 2.734 N/A ASP 192.A N THR 188.A O no hydrogen 3.297 N/A VAL 193.A N SER 189.A O no hydrogen 2.922 N/A TRP 194.A N ALA 190.A O no hydrogen 3.130 N/A SER 195.A N SER 191.A O no hydrogen 3.201 N/A SER 195.A OG TRP 176.A O no hydrogen 2.667 N/A SER 195.A OG SER 191.A O no hydrogen 3.303 N/A TYR 196.A N ASP 192.A O no hydrogen 2.813 N/A TYR 196.A OH LEU 122.A O no hydrogen 2.782 N/A GLY 197.A N VAL 193.A O no hydrogen 2.919 N/A ILE 198.A N TRP 194.A O no hydrogen 3.171 N/A VAL 199.A N SER 195.A O no hydrogen 2.859 N/A LEU 200.A N TYR 196.A O no hydrogen 2.788 N/A TRP 201.A N GLY 197.A O no hydrogen 3.041 N/A TRP 201.A NE1 PRO 230.A O no hydrogen 2.852 N/A GLU 202.A N ILE 198.A O no hydrogen 2.760 N/A VAL 203.A N VAL 199.A O no hydrogen 2.800 N/A MET 204.A N LEU 200.A O no hydrogen 2.990 N/A SER 205.A N.A TRP 201.A O no hydrogen 2.918 N/A SER 205.A N.B TRP 201.A O no hydrogen 2.936 N/A SER 205.A OG.A TRP 201.A O no hydrogen 2.833 N/A SER 205.A OG.B TRP 201.A O no hydrogen 2.785 N/A SER 205.A OG.B GLU 202.A O no hydrogen 3.007 N/A TYR 206.A N VAL 203.A O no hydrogen 3.025 N/A GLY 207.A N GLU 202.A O no hydrogen 2.754 N/A GLU 208.A N SER 205.A O.A no hydrogen 3.441 N/A GLU 208.A N SER 205.A O.B no hydrogen 3.212 N/A ARG 209.A N GLU 208.A OE2 no hydrogen 2.810 N/A ARG 209.A NH1 TRP 212.A O no hydrogen 3.281 N/A TRP 212.A N ARG 209.A O no hydrogen 2.852 N/A MET 214.A N TYR 211.A O no hydrogen 2.983 N/A SER 215.A OG ASP 218.A OD2 no hydrogen 3.027 N/A ASP 218.A N SER 215.A OG no hydrogen 3.288 N/A VAL 219.A N SER 215.A O no hydrogen 2.973 N/A ILE 220.A N ASN 216.A O no hydrogen 2.976 N/A LYS 221.A N GLN 217.A O no hydrogen 3.018 N/A LYS 221.A NZ GLU 225.A OE2 no hydrogen 2.669 N/A ALA 222.A N ASP 218.A O no hydrogen 2.807 N/A VAL 223.A N VAL 219.A O no hydrogen 3.071 N/A ASP 224.A N ILE 220.A O no hydrogen 3.109 N/A GLU 225.A N LYS 221.A O no hydrogen 2.973 N/A GLY 226.A N VAL 223.A O no hydrogen 2.923 N/A TYR 227.A N ALA 222.A O no hydrogen 2.974 N/A ARG 228.A N LEU 286.A O no hydrogen 2.686 N/A ARG 228.A NE TRP 247.A O no hydrogen 3.118 N/A ARG 228.A NH1 VAL 223.A O no hydrogen 2.931 N/A ARG 228.A NH1 TYR 227.A O no hydrogen 2.896 N/A ARG 228.A NH2 TRP 247.A O no hydrogen 2.950 N/A CYS 235.A N PRO 232.A O no hydrogen 3.079 N/A CYS 235.A SG PRO 236.A O no hydrogen 3.495 N/A ALA 237.A N ILE 276.A O no hydrogen 2.844 N/A LEU 239.A N PRO 236.A O no hydrogen 2.967 N/A TYR 240.A N PRO 236.A O no hydrogen 3.055 N/A TYR 240.A OH LEU 229.A O no hydrogen 2.681 N/A GLN 241.A N ALA 237.A O no hydrogen 2.925 N/A GLN 241.A NE2 ASP 245.A OD1 no hydrogen 2.971 N/A LEU 242.A N ALA 238.A O no hydrogen 3.106 N/A MET 243.A N LEU 239.A O no hydrogen 3.090 N/A LEU 244.A N TYR 240.A O no hydrogen 3.005 N/A ASP 245.A N GLN 241.A O no hydrogen 2.938 N/A CYS 246.A N LEU 242.A O no hydrogen 2.861 N/A CYS 246.A SG LEU 242.A O no hydrogen 3.341 N/A TRP 247.A N MET 243.A O no hydrogen 2.910 N/A TRP 247.A N LEU 244.A O no hydrogen 3.188 N/A GLN 248.A N ASP 245.A O no hydrogen 3.278 N/A LYS 249.A NZ ASP 224.A O no hydrogen 2.842 N/A ASN 252.A N ASP 250.A OD1 no hydrogen 2.852 N/A ASN 253.A N ASP 250.A O no hydrogen 2.907 N/A ARG 254.A N ARG 251.A O no hydrogen 3.275 N/A ARG 254.A NE GLN 248.A O no hydrogen 2.899 N/A ARG 254.A NH1 GLU 180.A OE2 no hydrogen 2.772 N/A ARG 254.A NH1 ALA 190.A O no hydrogen 2.979 N/A ARG 254.A NH2 GLU 180.A OE1 no hydrogen 2.934 N/A ARG 254.A NH2 GLU 180.A OE2 no hydrogen 3.550 N/A ARG 254.A NH2 GLN 248.A O no hydrogen 2.931 N/A LYS 256.A N GLN 259.A OE1 no hydrogen 2.821 N/A ILE 260.A N LYS 256.A O no hydrogen 2.990 N/A VAL 261.A N PHE 257.A O no hydrogen 2.947 N/A SER 262.A N.A GLU 258.A O no hydrogen 3.091 N/A SER 262.A N.B GLU 258.A O no hydrogen 3.096 N/A SER 262.A OG.A GLU 258.A O no hydrogen 3.099 N/A ILE 263.A N GLN 259.A O no hydrogen 2.909 N/A LEU 264.A N ILE 260.A O no hydrogen 2.996 N/A ASP 265.A N VAL 261.A O no hydrogen 2.850 N/A LYS 266.A N SER 262.A O.A no hydrogen 3.016 N/A LYS 266.A N SER 262.A O.B no hydrogen 2.975 N/A LEU 267.A N ILE 263.A O no hydrogen 3.163 N/A ILE 268.A N LEU 264.A O no hydrogen 2.911 N/A ARG 269.A N ASP 265.A O no hydrogen 2.932 N/A ASN 270.A N LYS 266.A O no hydrogen 2.802 N/A SER 273.A N ASN 270.A O no hydrogen 2.910 N/A SER 273.A OG ASN 270.A O no hydrogen 2.658 N/A LEU 274.A N PRO 271.A O no hydrogen 3.086 N/A LYS 275.A N GLY 272.A O no hydrogen 3.074 N/A THR 278.A N CYS 235.A O no hydrogen 2.861 N/A THR 278.A OG1 CYS 235.A O no hydrogen 3.009 N/A ARG 281.A NE SER 283.A O no hydrogen 2.973 N/A ARG 281.A NE ASN 284.A O no hydrogen 3.212 N/A ARG 281.A NH2 ASN 284.A O no hydrogen 2.941 N/A ARG 281.A NH2 ASN 284.A OD1 no hydrogen 3.404 N/A SER 283.A OG LEU 285.A O no hydrogen 2.791 N/A LEU 286.A N ARG 228.A O no hydrogen 2.784 N/A ASP 288.A N GLY 226.A O no hydrogen 2.895 N/A