Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH GLU 258.A OE2 no hydrogen 2.769 N/A THR 4.A OG1 THR 268.A O no hydrogen 2.736 N/A LEU 7.A N GLU 119.A OE2 no hydrogen 2.921 N/A ARG 8.A NH1 GLY 5.A O no hydrogen 2.738 N/A ARG 8.A NH1 LEU 7.A O no hydrogen 2.915 N/A HIS 10.A N ASP 127.A OD2 no hydrogen 2.912 N/A HIS 10.A ND1 ARG 8.A O no hydrogen 2.928 N/A MET 14.A N GLU 84.A OE1 no hydrogen 2.717 N/A ILE 23.A N PRO 20.A O no hydrogen 3.036 N/A ARG 25.A NE ASP 30.A OD1 no hydrogen 3.296 N/A ARG 25.A NE ASP 30.A OD2 no hydrogen 3.053 N/A ARG 25.A NH2 ASP 30.A OD1 no hydrogen 2.781 N/A TYR 28.A OH SER 102.A O no hydrogen 2.459 N/A ALA 29.A N PRO 26.A O no hydrogen 3.007 N/A HIS 31.A N TYR 28.A O no hydrogen 3.174 N/A LEU 33.A N HIS 31.A ND1 no hydrogen 3.074 N/A GLY 34.A N HIS 31.A O no hydrogen 2.947 N/A MET 35.A N HIS 31.A ND1 no hydrogen 3.338 N/A SER 36.A OG ASP 27.A OD1 no hydrogen 2.845 N/A SER 36.A OG ASP 27.A OD2 no hydrogen 3.439 N/A SER 38.A N ASP 27.A OD2 no hydrogen 2.912 N/A SER 38.A OG ASP 27.A OD2 no hydrogen 3.013 N/A GLU 39.A N SER 36.A OG no hydrogen 3.274 N/A GLN 40.A N SER 36.A O no hydrogen 2.873 N/A ALA 41.A N GLU 37.A O no hydrogen 2.845 N/A LEU 42.A N SER 38.A O no hydrogen 3.248 N/A LYS 43.A N GLN 40.A O no hydrogen 2.921 N/A THR 45.A N LEU 42.A O no hydrogen 3.142 N/A THR 45.A OG1 LEU 42.A O no hydrogen 2.616 N/A LYS 49.A NZ ASP 55.A OD2 no hydrogen 3.293 N/A LEU 51.A N GLY 241.A O no hydrogen 3.128 N/A SER 52.A N ASP 55.A OD2 no hydrogen 3.084 N/A ASP 55.A N SER 52.A OG no hydrogen 2.997 N/A ILE 56.A N SER 52.A O no hydrogen 2.775 N/A GLU 57.A N SER 53.A O no hydrogen 3.018 N/A GLY 58.A N GLU 54.A O no hydrogen 3.018 N/A MET 59.A N ASP 55.A O no hydrogen 2.790 N/A ARG 60.A N ILE 56.A O no hydrogen 2.834 N/A ARG 60.A NE GLU 289.A OE2 no hydrogen 2.682 N/A ARG 60.A NH2 GLU 289.A OE1 no hydrogen 2.904 N/A LEU 61.A N GLU 57.A O no hydrogen 3.074 N/A VAL 62.A N GLY 58.A O no hydrogen 3.083 N/A CYS 63.A N MET 59.A O no hydrogen 2.965 N/A CYS 63.A SG MET 59.A O no hydrogen 3.271 N/A ARG 64.A N ARG 60.A O no hydrogen 3.019 N/A LEU 65.A N LEU 61.A O no hydrogen 2.927 N/A ALA 66.A N VAL 62.A O no hydrogen 2.893 N/A ARG 67.A N CYS 63.A O no hydrogen 3.042 N/A ARG 67.A NE THR 292.A O no hydrogen 2.926 N/A ARG 67.A NH1 ASP 71.A OD1 no hydrogen 2.925 N/A ARG 67.A NH1 GLU 154.A OE2 no hydrogen 2.828 N/A ARG 67.A NH2 GLU 154.A OE2 no hydrogen 3.038 N/A ARG 67.A NH2 THR 292.A O no hydrogen 3.220 N/A GLU 68.A N ARG 64.A O no hydrogen 3.050 N/A VAL 69.A N LEU 65.A O no hydrogen 3.096 N/A LEU 70.A N ALA 66.A O no hydrogen 2.866 N/A ASP 71.A N ARG 67.A O no hydrogen 2.966 N/A VAL 72.A N GLU 68.A O no hydrogen 3.065 N/A ALA 73.A N VAL 69.A O no hydrogen 3.126 N/A ALA 74.A N LEU 70.A O no hydrogen 2.913 N/A GLY 75.A N ASP 71.A O no hydrogen 3.290 N/A GLY 75.A N VAL 72.A O no hydrogen 3.218 N/A MET 76.A N ALA 73.A O no hydrogen 2.999 N/A ILE 77.A N ALA 74.A O no hydrogen 3.215 N/A GLY 80.A N LEU 131.A O no hydrogen 2.808 N/A VAL 81.A N LYS 78.A O no hydrogen 3.275 N/A THR 82.A N GLU 85.A OE1 no hydrogen 2.920 N/A THR 83.A N ARG 129.A O no hydrogen 3.386 N/A THR 83.A OG1 ASP 127.A O no hydrogen 3.212 N/A GLU 84.A N ASP 127.A O no hydrogen 2.986 N/A GLU 85.A N THR 82.A OG1 no hydrogen 2.967 N/A ILE 86.A N THR 82.A O no hydrogen 3.161 N/A ASP 87.A N THR 83.A O no hydrogen 2.896 N/A HIS 88.A N GLU 84.A O no hydrogen 2.952 N/A ALA 89.A N GLU 85.A O no hydrogen 3.204 N/A VAL 90.A N ILE 86.A O no hydrogen 2.891 N/A HIS 91.A N ASP 87.A O no hydrogen 2.755 N/A HIS 91.A ND1 SER 112.A OG no hydrogen 2.735 N/A HIS 91.A NE2 PRO 18.A O no hydrogen 2.932 N/A LEU 92.A N HIS 88.A O no hydrogen 2.978 N/A ALA 93.A N ALA 89.A O no hydrogen 2.895 N/A CYS 94.A N VAL 90.A O no hydrogen 2.876 N/A CYS 94.A SG VAL 90.A O no hydrogen 3.274 N/A ILE 95.A N HIS 91.A O no hydrogen 3.148 N/A ALA 96.A N LEU 92.A O no hydrogen 2.836 N/A ARG 97.A N CYS 94.A O no hydrogen 2.963 N/A ARG 97.A NE GLU 68.A OE1 no hydrogen 2.904 N/A ARG 97.A NH1 ALA 93.A O no hydrogen 3.032 N/A ASN 98.A N ILE 95.A O no hydrogen 2.806 N/A CYS 99.A N CYS 94.A O no hydrogen 3.029 N/A CYS 99.A SG ARG 97.A O no hydrogen 3.475 N/A TYR 100.A N TYR 144.A O no hydrogen 2.955 N/A TYR 100.A OH LEU 104.A O no hydrogen 2.684 N/A SER 102.A OG HIS 149.A ND1 no hydrogen 2.793 N/A LEU 104.A N PRO 101.A O no hydrogen 2.920 N/A ASN 105.A N PHE 109.A O no hydrogen 2.760 N/A ASN 105.A ND2 TYR 28.A O no hydrogen 3.140 N/A ASN 105.A ND2 ALA 29.A O no hydrogen 3.235 N/A ASN 105.A ND2 HIS 31.A O no hydrogen 2.987 N/A TYR 106.A N PRO 103.A O no hydrogen 2.984 N/A TYR 106.A OH GLU 39.A OE1 no hydrogen 3.086 N/A TYR 106.A OH GLU 39.A OE2 no hydrogen 2.750 N/A TYR 106.A OH HIS 221.A ND1 no hydrogen 2.994 N/A TYR 107.A N GLY 34.A O no hydrogen 2.674 N/A TYR 107.A OH GLU 39.A OE1 no hydrogen 2.830 N/A ASN 108.A N ASN 105.A O no hydrogen 3.365 N/A ASN 108.A ND2 PRO 32.A O no hydrogen 2.997 N/A ASN 108.A ND2 ASN 105.A OD1 no hydrogen 2.924 N/A PHE 109.A N TYR 106.A O no hydrogen 2.814 N/A LYS 111.A NZ GLU 84.A OE1 no hydrogen 2.955 N/A SER 112.A N ASP 87.A OD1 no hydrogen 2.828 N/A SER 112.A OG HIS 91.A ND1 no hydrogen 2.735 N/A CYS 113.A SG ASP 87.A OD1 no hydrogen 3.463 N/A CYS 114.A N ASP 140.A O no hydrogen 3.161 N/A THR 115.A N GLY 124.A O no hydrogen 2.960 N/A SER 116.A N ASN 138.A O no hydrogen 2.892 N/A ASN 118.A N ILE 136.A O no hydrogen 2.904 N/A ASN 118.A ND2 ASP 135.A OD1 no hydrogen 2.953 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.809 N/A VAL 120.A N VAL 117.A O no hydrogen 2.777 N/A ILE 121.A N ALA 266.A O no hydrogen 2.692 N/A GLY 124.A N SER 116.A OG no hydrogen 3.342 N/A ASP 127.A N THR 83.A OG1 no hydrogen 2.831 N/A ARG 128.A N HIS 10.A O no hydrogen 2.972 N/A ARG 129.A N ASP 127.A OD1 no hydrogen 3.061 N/A ARG 129.A NH1 ASP 135.A OD2 no hydrogen 2.802 N/A ARG 129.A NH2 ASP 135.A OD1 no hydrogen 3.245 N/A ARG 129.A NH2 ASP 135.A OD2 no hydrogen 3.194 N/A LEU 131.A N VAL 81.A O no hydrogen 2.791 N/A GLN 132.A N ASP 135.A OD2 no hydrogen 2.864 N/A GLY 134.A N VAL 158.A O no hydrogen 2.842 N/A ASP 135.A N GLN 132.A O no hydrogen 2.864 N/A ILE 136.A N ASN 118.A OD1 no hydrogen 2.944 N/A VAL 137.A N PHE 156.A O no hydrogen 3.011 N/A ASN 138.A N SER 116.A O no hydrogen 2.976 N/A ASN 138.A ND2 ASN 153.A OD1 no hydrogen 2.762 N/A ASN 138.A ND2 THR 155.A OG1 no hydrogen 3.249 N/A ASN 138.A ND2 GLN 276.A O no hydrogen 2.901 N/A VAL 139.A N GLU 154.A O no hydrogen 2.974 N/A ASP 140.A N CYS 114.A O no hydrogen 2.797 N/A ILE 141.A N LEU 152.A O no hydrogen 2.875 N/A THR 142.A OG1 ASP 151.A OD1 no hydrogen 2.881 N/A LEU 143.A N GLY 150.A O no hydrogen 2.954 N/A TYR 144.A N TYR 100.A O no hydrogen 2.883 N/A ARG 145.A N TYR 148.A O no hydrogen 2.915 N/A ARG 145.A NH1 ARG 97.A O no hydrogen 2.730 N/A TYR 148.A N ARG 145.A O no hydrogen 2.939 N/A TYR 148.A OH ASP 55.A OD1 no hydrogen 2.492 N/A HIS 149.A N HIS 217.A O no hydrogen 2.811 N/A HIS 149.A ND1 SER 102.A OG no hydrogen 2.793 N/A GLY 150.A N LEU 143.A O no hydrogen 2.910 N/A ASP 151.A N THR 280.A OG1 no hydrogen 3.313 N/A LEU 152.A N ILE 141.A O no hydrogen 3.002 N/A ASN 153.A N GLU 278.A O no hydrogen 3.198 N/A ASN 153.A ND2 ASP 140.A OD2 no hydrogen 2.914 N/A GLU 154.A N VAL 139.A O no hydrogen 3.286 N/A THR 155.A OG1 GLN 276.A O no hydrogen 2.560 N/A PHE 156.A N VAL 137.A O no hydrogen 2.778 N/A VAL 158.A N ASP 135.A O no hydrogen 2.911 N/A GLU 160.A N GLU 133.A OE2 no hydrogen 2.819 N/A ALA 165.A N ASP 162.A OD1 no hydrogen 2.741 N/A ARG 166.A N ASP 162.A O no hydrogen 3.001 N/A ARG 166.A NH2 ASP 163.A OD1 no hydrogen 3.178 N/A LYS 167.A N ASP 163.A O no hydrogen 3.017 N/A LYS 167.A NZ ASN 203.A O no hydrogen 3.087 N/A LEU 168.A N GLY 164.A O no hydrogen 3.078 N/A VAL 169.A N ALA 165.A O no hydrogen 3.021 N/A GLN 170.A N ARG 166.A O no hydrogen 2.936 N/A GLN 170.A NE2 GLU 174.A OE2 no hydrogen 2.905 N/A THR 171.A N LYS 167.A O no hydrogen 2.979 N/A THR 171.A OG1 LYS 167.A O no hydrogen 2.785 N/A THR 172.A N LEU 168.A O no hydrogen 2.889 N/A THR 172.A OG1 LEU 168.A O no hydrogen 2.678 N/A TYR 173.A N VAL 169.A O no hydrogen 2.813 N/A GLU 174.A N GLN 170.A O no hydrogen 3.022 N/A CYS 175.A N THR 171.A O no hydrogen 2.826 N/A CYS 175.A SG THR 171.A O no hydrogen 3.298 N/A CYS 175.A SG ILE 196.A O no hydrogen 3.596 N/A LEU 176.A N THR 172.A O no hydrogen 3.091 N/A MET 177.A N TYR 173.A O no hydrogen 2.933 N/A GLN 178.A N GLU 174.A O no hydrogen 2.869 N/A ALA 179.A N CYS 175.A O no hydrogen 3.096 N/A ILE 180.A N LEU 176.A O no hydrogen 2.928 N/A ASP 181.A N MET 177.A O no hydrogen 3.077 N/A ALA 182.A N ALA 179.A O no hydrogen 3.052 N/A VAL 183.A N ILE 180.A O no hydrogen 2.997 N/A GLY 186.A N MET 238.A O no hydrogen 2.812 N/A VAL 187.A N LYS 184.A O no hydrogen 3.343 N/A TYR 189.A N GLY 236.A O no hydrogen 3.119 N/A TYR 189.A OH HIS 242.A ND1 no hydrogen 2.658 N/A GLU 191.A N ARG 188.A O no hydrogen 3.045 N/A LEU 192.A N TYR 189.A O no hydrogen 3.202 N/A ASN 194.A ND2 GLU 191.A OE1 no hydrogen 2.878 N/A ILE 195.A N GLU 191.A O no hydrogen 3.354 N/A ILE 196.A N LEU 192.A O no hydrogen 2.902 N/A GLN 197.A N GLY 193.A O no hydrogen 2.883 N/A GLN 197.A NE2 GLN 201.A OE1 no hydrogen 3.424 N/A LYS 198.A N ASN 194.A O no hydrogen 3.106 N/A HIS 199.A N ILE 195.A O no hydrogen 3.408 N/A HIS 199.A NE2 GLU 174.A OE1 no hydrogen 2.668 N/A ALA 200.A N ILE 196.A O no hydrogen 3.035 N/A GLN 201.A N GLN 197.A O no hydrogen 2.718 N/A ALA 202.A N LYS 198.A O no hydrogen 3.092 N/A ASN 203.A N ALA 200.A O no hydrogen 2.920 N/A ASN 203.A ND2 HIS 199.A O no hydrogen 2.967 N/A GLY 204.A N GLN 201.A O no hydrogen 2.898 N/A PHE 205.A N ALA 200.A O no hydrogen 3.075 N/A SER 206.A N CYS 251.A O no hydrogen 3.069 N/A SER 206.A OG GLY 253.A O no hydrogen 2.534 N/A VAL 208.A N MET 249.A O no hydrogen 2.975 N/A SER 210.A OG ASP 257.A OD1 no hydrogen 2.452 N/A GLY 213.A N VAL 226.A O no hydrogen 2.804 N/A HIS 214.A N THR 245.A OG1 no hydrogen 3.210 N/A HIS 214.A ND1 GLY 215.A O no hydrogen 2.961 N/A GLY 215.A N PRO 224.A O no hydrogen 2.886 N/A ILE 216.A N VAL 243.A O no hydrogen 3.392 N/A HIS 217.A N LEU 219.A O no hydrogen 2.967 N/A LYS 218.A N HIS 217.A ND1 no hydrogen 3.039 N/A LYS 218.A NZ ASP 55.A OD1 no hydrogen 3.489 N/A HIS 221.A N GLU 39.A OE2 no hydrogen 3.057 N/A THR 222.A N GLY 215.A O no hydrogen 2.983 N/A ALA 223.A N THR 222.A OG1 no hydrogen 2.657 N/A VAL 226.A N GLY 213.A O no hydrogen 2.863 N/A ALA 230.A N GLN 197.A OE1 no hydrogen 2.777 N/A LYS 231.A N ASN 194.A OD1 no hydrogen 2.896 N/A ASN 232.A ND2 ARG 190.A O no hydrogen 3.221 N/A ASN 232.A ND2 TYR 229.A O no hydrogen 2.784 N/A ALA 234.A N ASN 232.A OD1 no hydrogen 2.965 N/A MET 238.A N VAL 187.A O no hydrogen 2.664 N/A LYS 239.A N HIS 242.A ND1 no hydrogen 3.279 N/A SER 240.A OG ASP 285.A OD1 no hydrogen 2.707 N/A GLY 241.A N VAL 283.A O no hydrogen 2.675 N/A HIS 242.A N LYS 239.A O no hydrogen 2.881 N/A HIS 242.A ND1 TYR 189.A OH no hydrogen 2.658 N/A PHE 244.A N LEU 281.A O no hydrogen 3.023 N/A THR 245.A N HIS 214.A O no hydrogen 2.739 N/A THR 245.A OG1 GLU 247.A OE1 no hydrogen 3.245 N/A THR 245.A OG1 GLU 278.A OE2 no hydrogen 3.402 N/A ILE 246.A N HIS 279.A O no hydrogen 3.320 N/A GLU 247.A N HIS 228.A NE2 no hydrogen 3.132 N/A ILE 250.A N ALA 275.A O no hydrogen 2.914 N/A CYS 251.A N SER 206.A O no hydrogen 2.740 N/A CYS 251.A SG SER 274.A OG no hydrogen 3.574 N/A GLU 252.A N ARG 273.A O no hydrogen 3.051 N/A GLY 254.A N ASP 270.A OD2 no hydrogen 3.029 N/A GLN 256.A N GLN 256.A OE1 no hydrogen 3.051 N/A GLU 258.A N VAL 267.A O no hydrogen 2.829 N/A TRP 260.A N THR 265.A O no hydrogen 2.756 N/A GLY 263.A N TRP 260.A O no hydrogen 2.927 N/A TRP 264.A N ASP 262.A OD1 no hydrogen 2.758 N/A THR 265.A N ASP 262.A OD1 no hydrogen 2.815 N/A THR 265.A OG1 ASP 262.A OD1 no hydrogen 3.408 N/A THR 265.A OG1 ASP 262.A OD2 no hydrogen 2.659 N/A ALA 266.A N CYS 122.A O no hydrogen 3.114 N/A VAL 267.A N GLU 258.A O no hydrogen 2.816 N/A THR 268.A N GLU 119.A O no hydrogen 3.094 N/A THR 268.A OG1 ASP 270.A OD1 no hydrogen 3.561 N/A THR 268.A OG1 LYS 272.A O no hydrogen 2.738 N/A ARG 269.A N GLN 256.A O no hydrogen 3.012 N/A ARG 269.A NE GLU 258.A OE1 no hydrogen 2.883 N/A GLY 271.A N THR 268.A O no hydrogen 3.179 N/A LYS 272.A N ASP 270.A OD1 no hydrogen 3.062 N/A ARG 273.A N GLU 252.A OE1 no hydrogen 2.995 N/A ARG 273.A NE GLU 252.A OE1 no hydrogen 3.085 N/A ARG 273.A NE GLU 252.A OE2 no hydrogen 3.282 N/A ARG 273.A NH1 ASP 162.A OD1 no hydrogen 3.279 N/A ARG 273.A NH1 ASP 162.A OD2 no hydrogen 3.334 N/A ARG 273.A NH2 ASP 162.A OD1 no hydrogen 2.952 N/A ARG 273.A NH2 ASP 162.A OD2 no hydrogen 3.421 N/A ARG 273.A NH2 GLU 252.A OE2 no hydrogen 2.675 N/A SER 274.A N ASN 118.A O no hydrogen 3.009 N/A SER 274.A OG ILE 250.A O no hydrogen 3.082 N/A ALA 275.A N ILE 250.A O no hydrogen 3.036 N/A GLN 276.A N THR 155.A OG1 no hydrogen 3.058 N/A GLN 276.A NE2 GLU 247.A O no hydrogen 2.879 N/A GLU 278.A N ASN 153.A O no hydrogen 3.057 N/A HIS 279.A N ILE 246.A O no hydrogen 3.314 N/A HIS 279.A ND1 THR 292.A OG1 no hydrogen 2.744 N/A THR 280.A N THR 292.A OG1 no hydrogen 2.985 N/A THR 280.A OG1 ASP 151.A O no hydrogen 2.677 N/A LEU 281.A N PHE 244.A O no hydrogen 2.731 N/A LEU 282.A N GLU 289.A O no hydrogen 2.969 N/A VAL 283.A N HIS 242.A O no hydrogen 2.829 N/A THR 284.A N GLY 287.A O no hydrogen 3.134 N/A THR 284.A OG1 THR 286.A OG1 no hydrogen 3.375 N/A THR 286.A OG1 THR 284.A OG1 no hydrogen 3.375 N/A GLY 287.A N THR 284.A OG1 no hydrogen 2.920 N/A GLU 289.A N LEU 282.A O no hydrogen 2.804 N/A LEU 291.A N THR 280.A O no hydrogen 2.993 N/A THR 292.A OG1 HIS 279.A ND1 no hydrogen 2.744 N/A ARG 293.A N ILE 290.A O no hydrogen 3.076 N/A ARG 293.A NH1 ILE 290.A O no hydrogen 2.899 N/A ARG 294.A NE ASP 296.A OD1 no hydrogen 3.163 N/A ARG 294.A NH1 ARG 299.A O no hydrogen 2.887 N/A SER 297.A OG ARG 299.A O no hydrogen 3.552 N/A ARG 299.A N SER 297.A OG no hydrogen 3.195 N/A HIS 301.A N GLU 154.A OE1 no hydrogen 2.964 N/A HIS 301.A NE2 ASP 71.A OD1 no hydrogen 2.939 N/A MET 303.A N PRO 300.A O no hydrogen 3.219 N/A SER 304.A OG HIS 301.A O no hydrogen 3.496 N/A