Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ur8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 105.A OD1 no hydrogen 3.398 N/A ASP 2.A N GLN 5.A OE1 no hydrogen 2.961 N/A GLN 5.A N ASP 2.A OD1 no hydrogen 2.914 N/A ILE 6.A N ASP 2.A O no hydrogen 3.126 N/A LYS 7.A N PRO 3.A O no hydrogen 2.876 N/A LYS 7.A NZ ASP 184.A O no hydrogen 2.423 N/A LYS 7.A NZ ARG 185.A O no hydrogen 2.840 N/A THR 8.A N GLU 4.A O no hydrogen 2.967 N/A THR 8.A OG1 GLU 4.A O no hydrogen 3.049 N/A ALA 9.A N GLN 5.A O no hydrogen 2.958 N/A LEU 10.A N ILE 6.A O no hydrogen 2.818 N/A GLY 11.A N THR 8.A O no hydrogen 2.880 N/A SER 12.A N ALA 9.A O no hydrogen 3.137 N/A SER 12.A OG ALA 9.A O no hydrogen 2.736 N/A LEU 15.A N TYR 210.A O no hydrogen 3.223 N/A SER 16.A N VAL 47.A O no hydrogen 3.381 N/A SER 16.A OG SER 212.A O no hydrogen 2.886 N/A VAL 19.A N ASN 216.A OD1 no hydrogen 2.990 N/A THR 20.A OG1 GLY 55.A O no hydrogen 2.525 N/A HIS 21.A ND1 SER 32.A OG no hydrogen 2.513 N/A HIS 21.A NE2 HIS 36.A ND1 no hydrogen 3.152 N/A PHE 22.A N ALA 274.A O no hydrogen 2.881 N/A ASP 23.A N ARG 27.A O no hydrogen 2.942 N/A GLY 26.A N ASP 23.A O no hydrogen 2.832 N/A ARG 27.A N ASP 23.A OD1 no hydrogen 3.035 N/A ARG 27.A NH2 GLU 25.A OE1 no hydrogen 2.711 N/A ALA 29.A N HIS 21.A O no hydrogen 2.963 N/A SER 32.A OG HIS 21.A ND1 no hydrogen 2.513 N/A SER 32.A OG ASN 273.A O no hydrogen 3.027 N/A TYR 33.A N ALA 29.A O no hydrogen 3.129 N/A ARG 34.A N ALA 30.A O no hydrogen 3.030 N/A GLU 35.A N ASP 31.A O no hydrogen 3.195 N/A HIS 36.A N SER 32.A O no hydrogen 3.003 N/A HIS 36.A NE2 ASN 216.A O no hydrogen 2.891 N/A VAL 37.A N TYR 33.A O no hydrogen 2.970 N/A GLU 38.A N ARG 34.A O no hydrogen 2.825 N/A TRP 39.A N HIS 36.A O no hydrogen 3.085 N/A LEU 40.A N HIS 36.A O no hydrogen 3.119 N/A GLY 42.A N TRP 39.A O no hydrogen 3.216 N/A LYS 44.A N ALA 41.A O no hydrogen 2.907 N/A LEU 48.A N ALA 80.A O no hydrogen 2.699 N/A PHE 49.A N SER 16.A O no hydrogen 2.945 N/A ALA 50.A N VAL 82.A O no hydrogen 2.853 N/A GLU 56.A N GLY 53.A O no hydrogen 2.923 N/A PHE 57.A N GLY 52.A O no hydrogen 2.913 N/A SER 59.A N GLU 56.A O no hydrogen 2.967 N/A LEU 60.A N PHE 57.A O no hydrogen 2.934 N/A LYS 61.A N GLU 64.A OE1 no hydrogen 2.789 N/A GLU 64.A N LYS 61.A O no hydrogen 2.874 N/A ILE 65.A N PRO 62.A O no hydrogen 3.272 N/A ILE 68.A N GLU 64.A O no hydrogen 3.153 N/A VAL 69.A N ILE 65.A O no hydrogen 3.073 N/A ALA 70.A N PRO 66.A O no hydrogen 2.953 N/A ALA 71.A N THR 67.A O no hydrogen 3.019 N/A ALA 72.A N ILE 68.A O no hydrogen 3.152 N/A LYS 73.A N VAL 69.A O no hydrogen 3.097 N/A LYS 73.A NZ GLY 103.A O no hydrogen 3.115 N/A GLU 74.A N ALA 70.A O no hydrogen 3.122 N/A GLU 74.A N ALA 71.A O no hydrogen 2.992 N/A VAL 75.A N ALA 72.A O no hydrogen 3.281 N/A THR 79.A N ALA 76.A O no hydrogen 3.374 N/A THR 79.A OG1 ALA 45.A O no hydrogen 3.319 N/A THR 79.A OG1 ALA 76.A O no hydrogen 3.199 N/A ALA 80.A N PRO 46.A O no hydrogen 3.024 N/A ILE 81.A N ASP 105.A OD2 no hydrogen 2.995 N/A VAL 82.A N LEU 48.A O no hydrogen 2.771 N/A SER 83.A N GLY 106.A O no hydrogen 2.926 N/A SER 83.A OG GLY 84.A O no hydrogen 2.999 N/A GLY 84.A N ALA 50.A O no hydrogen 3.050 N/A CYS 85.A SG ALA 92.A O no hydrogen 3.087 N/A THR 89.A OG1 HIS 125.A ND1 no hydrogen 2.684 N/A ALA 92.A N GLY 88.A O no hydrogen 2.895 N/A VAL 93.A N THR 89.A O no hydrogen 2.988 N/A ASP 94.A N GLU 90.A O no hydrogen 3.353 N/A ILE 95.A N ILE 91.A O no hydrogen 3.109 N/A ALA 96.A N ALA 92.A O no hydrogen 2.932 N/A ARG 97.A N VAL 93.A O no hydrogen 3.052 N/A ARG 97.A NE SER 132.A O no hydrogen 3.560 N/A SER 98.A N ASP 94.A O no hydrogen 2.901 N/A SER 98.A OG ILE 95.A O no hydrogen 2.622 N/A VAL 99.A N ILE 95.A O no hydrogen 2.994 N/A GLU 100.A N ALA 96.A O no hydrogen 3.019 N/A LYS 101.A N ARG 97.A O no hydrogen 2.938 N/A VAL 102.A N SER 98.A O no hydrogen 3.327 N/A GLY 103.A N GLU 100.A O no hydrogen 3.129 N/A ALA 104.A N VAL 99.A O no hydrogen 2.948 N/A ASP 105.A N ILE 81.A O no hydrogen 2.729 N/A ILE 107.A N GLY 136.A O no hydrogen 2.886 N/A LEU 108.A N SER 83.A O no hydrogen 2.710 N/A LEU 109.A N MET 138.A O no hydrogen 3.008 N/A LEU 110.A N CYS 85.A O no hydrogen 2.642 N/A HIS 112.A NE2 ILE 115.A O no hydrogen 2.718 N/A ILE 115.A N TYR 113.A O no hydrogen 2.886 N/A GLN 119.A NE2 VAL 146.A O no hydrogen 3.040 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.915 N/A LEU 122.A N PRO 118.A O no hydrogen 3.101 N/A TYR 123.A N GLN 119.A O no hydrogen 3.022 N/A ALA 124.A N GLU 120.A O no hydrogen 3.084 N/A HIS 125.A N GLY 121.A O no hydrogen 2.864 N/A HIS 125.A ND1 THR 89.A OG1 no hydrogen 2.684 N/A ILE 126.A N LEU 122.A O no hydrogen 2.889 N/A LYS 127.A N TYR 123.A O no hydrogen 2.918 N/A LYS 127.A NZ TYR 123.A OH no hydrogen 3.254 N/A LYS 128.A N ALA 124.A O no hydrogen 3.166 N/A LYS 128.A NZ GLU 90.A OE2 no hydrogen 2.707 N/A VAL 129.A N HIS 125.A O no hydrogen 3.159 N/A CYS 130.A N ILE 126.A O no hydrogen 3.029 N/A CYS 130.A SG ILE 126.A O no hydrogen 3.453 N/A GLN 131.A N LYS 127.A O no hydrogen 3.033 N/A SER 132.A N VAL 129.A O no hydrogen 3.031 N/A SER 132.A OG VAL 129.A O no hydrogen 2.357 N/A VAL 133.A N CYS 130.A O no hydrogen 3.319 N/A GLY 134.A N GLU 100.A OE2 no hydrogen 2.855 N/A VAL 137.A N ASN 161.A O no hydrogen 2.829 N/A MET 138.A N ILE 107.A O no hydrogen 2.781 N/A VAL 139.A N GLY 164.A O no hydrogen 2.933 N/A ASN 141.A N LYS 166.A O no hydrogen 2.891 N/A ASN 141.A ND2 LEU 147.A O no hydrogen 2.977 N/A ARG 142.A N SER 145.A O no hydrogen 2.913 N/A ARG 142.A NE ASP 143.A OD2 no hydrogen 3.474 N/A ARG 142.A NH1 TYR 140.A OH no hydrogen 2.899 N/A ASN 144.A ND2 HIS 112.A O no hydrogen 3.133 N/A ASN 144.A ND2 ILE 115.A O no hydrogen 3.276 N/A SER 145.A N ARG 142.A O no hydrogen 3.097 N/A LEU 147.A N ASN 141.A OD1 no hydrogen 2.780 N/A GLN 148.A N GLN 119.A OE1 no hydrogen 2.878 N/A THR 151.A OG1 GLN 119.A OE1 no hydrogen 2.806 N/A LEU 152.A N GLN 148.A O no hydrogen 2.994 N/A ALA 153.A N ALA 149.A O no hydrogen 2.976 N/A ARG 154.A N ASP 150.A O no hydrogen 3.354 N/A ARG 154.A N THR 151.A O no hydrogen 3.168 N/A LEU 155.A N THR 151.A O no hydrogen 3.166 N/A CYS 156.A N LEU 152.A O no hydrogen 2.822 N/A CYS 156.A SG LEU 152.A O no hydrogen 3.428 N/A ASP 157.A N ALA 153.A O no hydrogen 2.977 N/A GLU 158.A N ARG 154.A O no hydrogen 2.880 N/A GLU 158.A N LEU 155.A O no hydrogen 3.207 N/A CYS 159.A N LEU 155.A O no hydrogen 2.753 N/A ASN 161.A ND2 CYS 130.A O no hydrogen 3.015 N/A ASN 161.A ND2 ILE 135.A O no hydrogen 3.119 N/A LEU 162.A N CYS 159.A O no hydrogen 3.093 N/A VAL 163.A N VAL 137.A O no hydrogen 3.010 N/A GLY 164.A N VAL 137.A O no hydrogen 3.354 N/A PHE 165.A N MET 187.A O no hydrogen 3.095 N/A LYS 166.A N VAL 139.A O no hydrogen 2.740 N/A LYS 166.A NZ TYR 140.A OH no hydrogen 3.249 N/A ASP 167.A N LEU 189.A O no hydrogen 3.065 N/A GLY 168.A N ASN 141.A O no hydrogen 2.640 N/A THR 169.A N ASP 167.A OD1 no hydrogen 2.913 N/A THR 169.A OG1 ASP 167.A OD1 no hydrogen 2.414 N/A THR 169.A OG1 ASP 167.A OD2 no hydrogen 3.410 N/A GLY 170.A N ASP 167.A OD2 no hydrogen 3.137 N/A ASP 171.A N THR 169.A OG1 no hydrogen 3.017 N/A ILE 172.A N GLY 170.A O no hydrogen 3.030 N/A LEU 174.A N ASP 171.A OD1 no hydrogen 3.012 N/A VAL 175.A N ASP 171.A O no hydrogen 2.933 N/A ARG 176.A N ILE 172.A O no hydrogen 3.029 N/A ARG 176.A NH1 ARG 176.A O no hydrogen 3.536 N/A ARG 176.A NH1 THR 179.A OG1 no hydrogen 2.840 N/A GLN 177.A N GLY 173.A O no hydrogen 3.212 N/A ILE 178.A N LEU 174.A O no hydrogen 2.952 N/A THR 179.A N VAL 175.A O no hydrogen 3.035 N/A THR 179.A OG1 ARG 176.A O no hydrogen 3.182 N/A THR 179.A OG1 ALA 205.A O no hydrogen 3.048 N/A ALA 180.A N ARG 176.A O no hydrogen 2.931 N/A LYS 181.A N GLN 177.A O no hydrogen 3.044 N/A MET 182.A N ILE 178.A O no hydrogen 3.098 N/A GLY 183.A N THR 179.A O no hydrogen 3.028 N/A ARG 185.A N MET 182.A O no hydrogen 3.371 N/A ARG 185.A NH1 LEU 162.A O no hydrogen 2.682 N/A ARG 185.A NH1 ARG 185.A O no hydrogen 2.898 N/A ARG 185.A NH2 CYS 156.A O no hydrogen 2.655 N/A ARG 185.A NH2 CYS 159.A O no hydrogen 3.001 N/A ARG 185.A NH2 LEU 162.A O no hydrogen 3.232 N/A MET 187.A N VAL 163.A O no hydrogen 3.089 N/A TYR 188.A N THR 208.A OG1 no hydrogen 2.787 N/A TYR 188.A OH GLY 183.A O no hydrogen 2.615 N/A LEU 189.A N PHE 165.A O no hydrogen 2.946 N/A GLY 190.A N THR 209.A O no hydrogen 3.037 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.878 N/A LEU 197.A N THR 194.A O no hydrogen 3.070 N/A PHE 198.A N ALA 195.A O no hydrogen 2.747 N/A ALA 199.A N GLU 196.A O no hydrogen 3.397 N/A TYR 202.A N PHE 198.A O no hydrogen 3.033 N/A TYR 202.A OH ASP 167.A OD2 no hydrogen 2.431 N/A LEU 203.A N ALA 199.A O no hydrogen 3.028 N/A GLY 204.A N GLU 200.A O no hydrogen 3.324 N/A ALA 205.A N ALA 201.A O no hydrogen 2.917 N/A GLY 206.A N LEU 203.A O no hydrogen 2.560 N/A PHE 207.A N TYR 202.A O no hydrogen 2.826 N/A THR 209.A N TYR 188.A O no hydrogen 3.048 N/A THR 209.A OG1 GLY 13.A O no hydrogen 3.127 N/A THR 209.A OG1 TYR 210.A O no hydrogen 3.454 N/A TYR 210.A N THR 209.A OG1 no hydrogen 2.493 N/A SER 211.A N GLY 190.A O no hydrogen 3.087 N/A SER 212.A N LEU 15.A O no hydrogen 2.987 N/A SER 212.A OG GLU 196.A OE2 no hydrogen 2.660 N/A PHE 215.A N SER 212.A O no hydrogen 3.228 N/A PHE 215.A N SER 212.A OG no hydrogen 3.161 N/A ASN 216.A N ALA 213.A O no hydrogen 2.907 N/A ASN 216.A ND2 PHE 17.A O no hydrogen 2.741 N/A ASN 216.A ND2 ALA 213.A O no hydrogen 3.036 N/A PHE 217.A N VAL 214.A O no hydrogen 2.905 N/A VAL 218.A N VAL 214.A O no hydrogen 2.851 N/A ALA 222.A N VAL 218.A O no hydrogen 2.909 N/A ASN 223.A N PRO 219.A O no hydrogen 2.764 N/A ASN 223.A ND2 TYR 43.A O no hydrogen 3.348 N/A GLU 224.A N GLY 220.A O no hydrogen 3.135 N/A PHE 225.A N LEU 221.A O no hydrogen 3.030 N/A TYR 226.A N ALA 222.A O no hydrogen 3.044 N/A ALA 227.A N ASN 223.A O no hydrogen 2.936 N/A ALA 228.A N GLU 224.A O no hydrogen 2.997 N/A LEU 229.A N PHE 225.A O no hydrogen 2.990 N/A ARG 230.A N TYR 226.A O no hydrogen 3.088 N/A ARG 230.A NH1 THR 208.A O no hydrogen 3.272 N/A ALA 231.A N ALA 227.A O no hydrogen 3.019 N/A GLY 232.A N LEU 229.A O no hydrogen 3.100 N/A GLU 233.A N ALA 228.A O no hydrogen 2.762 N/A ARG 234.A N GLY 232.A O no hydrogen 2.680 N/A CYS 237.A N GLU 233.A O no hydrogen 3.201 N/A CYS 237.A SG PHE 225.A O no hydrogen 3.833 N/A CYS 237.A SG GLU 233.A O no hydrogen 3.684 N/A GLU 238.A N ARG 234.A O no hydrogen 3.024 N/A ARG 239.A N ALA 235.A O no hydrogen 3.004 N/A ILE 240.A N THR 236.A O no hydrogen 3.147 N/A LEU 241.A N CYS 237.A O no hydrogen 2.902 N/A VAL 242.A N GLU 238.A O no hydrogen 3.032 N/A ASP 243.A N ARG 239.A O no hydrogen 2.912 N/A PHE 244.A N ILE 240.A O no hydrogen 2.860 N/A PHE 245.A N ILE 240.A O no hydrogen 3.158 N/A TYR 246.A N LEU 241.A O no hydrogen 2.829 N/A PHE 248.A N PHE 244.A O no hydrogen 2.837 N/A MET 249.A N.A PHE 245.A O no hydrogen 2.750 N/A MET 249.A N.B PHE 245.A O no hydrogen 2.767 N/A ALA 250.A N TYR 246.A O no hydrogen 2.992 N/A ILE 251.A N PRO 247.A O no hydrogen 3.324 N/A ARG 252.A N PHE 248.A O no hydrogen 2.928 N/A ARG 252.A NH1 ASN 253.A OD1 no hydrogen 3.075 N/A ASN 253.A N MET 249.A O.A no hydrogen 2.941 N/A ASN 253.A N MET 249.A O.B no hydrogen 3.042 N/A ARG 254.A N ILE 251.A O no hydrogen 3.285 N/A ARG 254.A NE GLU 288.A OE2 no hydrogen 3.016 N/A TYR 258.A OH GLU 288.A OE1 no hydrogen 2.557 N/A VAL 260.A N GLY 257.A O no hydrogen 2.865 N/A SER 261.A N GLY 257.A O no hydrogen 3.165 N/A SER 261.A OG GLY 257.A O no hydrogen 3.494 N/A SER 261.A OG LYS 282.A O no hydrogen 2.760 N/A ALA 262.A N TYR 258.A O no hydrogen 2.865 N/A LYS 264.A N VAL 260.A O no hydrogen 3.033 N/A LYS 264.A NZ THR 20.A O no hydrogen 2.983 N/A LYS 264.A NZ GLU 56.A OE2 no hydrogen 2.779 N/A LYS 264.A NZ PRO 276.A O no hydrogen 2.678 N/A ALA 265.A N SER 261.A O no hydrogen 2.946 N/A GLY 266.A N ALA 262.A O no hydrogen 3.049 N/A VAL 267.A N VAL 263.A O no hydrogen 2.992 N/A ARG 268.A N LYS 264.A O no hydrogen 3.071 N/A LEU 269.A N ALA 265.A O no hydrogen 2.884 N/A GLN 270.A N GLY 266.A O no hydrogen 3.178 N/A GLN 270.A N VAL 267.A O no hydrogen 3.169 N/A GLN 270.A NE2 PHE 217.A O no hydrogen 2.909 N/A GLN 270.A NE2 HIS 299.A O no hydrogen 2.881 N/A GLY 271.A N ARG 268.A O no hydrogen 2.947 N/A PHE 272.A N VAL 267.A O no hydrogen 3.262 N/A ALA 274.A N PHE 272.A O no hydrogen 2.771 N/A VAL 277.A N ASP 283.A OD2 no hydrogen 3.146 N/A ARG 278.A N GLU 56.A OE1 no hydrogen 2.929 N/A ARG 278.A NE GLY 26.A O no hydrogen 3.073 N/A ARG 278.A NH1 SER 59.A O no hydrogen 2.847 N/A ARG 278.A NH1 GLU 64.A OE1 no hydrogen 3.058 N/A ARG 278.A NH1 GLU 64.A OE2 no hydrogen 3.504 N/A ARG 278.A NH2 GLY 26.A O no hydrogen 2.620 N/A ARG 278.A NH2 GLU 64.A OE2 no hydrogen 2.804 N/A LEU 281.A N ARG 278.A O no hydrogen 3.107 N/A LYS 282.A NZ TYR 258.A OH no hydrogen 2.285 N/A LYS 282.A NZ ASP 283.A O no hydrogen 2.995 N/A THR 285.A N GLU 288.A OE1 no hydrogen 3.026 N/A GLU 288.A N THR 285.A OG1 no hydrogen 3.080 N/A ILE 289.A N THR 285.A O no hydrogen 2.987 N/A GLY 290.A N ASN 286.A O no hydrogen 3.027 N/A MET 291.A N GLU 287.A O no hydrogen 3.182 N/A LEU 292.A N GLU 288.A O no hydrogen 3.031 N/A GLU 293.A N ILE 289.A O no hydrogen 2.867 N/A ALA 294.A N GLY 290.A O no hydrogen 3.129 N/A LEU 295.A N MET 291.A O no hydrogen 3.085 N/A ILE 296.A N LEU 292.A O no hydrogen 2.973 N/A GLY 297.A N GLU 293.A O no hydrogen 3.292 N/A HIS 299.A N ILE 296.A O no hydrogen 2.805 N/A LYS 300.A N GLY 297.A O no hydrogen 3.296 N/A ARG 301.A N GLN 270.A OE1 no hydrogen 2.986 N/A ARG 301.A NH1 GLN 270.A O no hydrogen 2.768 N/A TRP 304.A NE1 LEU 269.A O no hydrogen 2.877 N/A