Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2yi1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ARG 62.A O no hydrogen 3.045 N/A SER 4.A OG THR 2.A O no hydrogen 3.179 N/A ALA 5.A N VAL 20.A O no hydrogen 2.777 N/A LEU 6.A N GLY 65.A O no hydrogen 2.897 N/A ALA 7.A N ALA 18.A O no hydrogen 2.832 N/A VAL 8.A N GLY 67.A O no hydrogen 2.914 N/A ASP 9.A N ARG 16.A O no hydrogen 2.858 N/A LEU 10.A N.A SER 69.A O no hydrogen 2.944 N/A LEU 10.A N.B SER 69.A O no hydrogen 2.932 N/A GLY 11.A N ASN 14.A O no hydrogen 2.908 N/A THR 13.A OG1 THR 140.A OG1 no hydrogen 2.757 N/A LEU 15.A N GLN 32.A O no hydrogen 2.772 N/A ARG 16.A N ASP 9.A O no hydrogen 2.923 N/A VAL 17.A N TYR 30.A O no hydrogen 2.965 N/A ALA 18.A N ALA 7.A O no hydrogen 2.778 N/A ILE 19.A N LYS 28.A O no hydrogen 2.975 N/A VAL 20.A N ALA 5.A O no hydrogen 2.976 N/A SER 21.A N GLU 25.A O no hydrogen 2.944 N/A SER 21.A OG GLU 25.A OE1 no hydrogen 2.700 N/A MET 22.A N.A LEU 3.A O no hydrogen 2.959 N/A MET 22.A N.B LEU 3.A O no hydrogen 2.980 N/A LYS 23.A N SER 21.A OG no hydrogen 3.125 N/A GLY 24.A N SER 21.A O no hydrogen 2.887 N/A GLU 25.A N SER 21.A OG no hydrogen 3.101 N/A VAL 27.A N ILE 19.A O no hydrogen 2.780 N/A TYR 30.A N VAL 17.A O no hydrogen 2.762 N/A GLN 32.A N LEU 15.A O no hydrogen 2.906 N/A ASN 34.A N THR 13.A O no hydrogen 2.840 N/A ASN 34.A ND2 GLY 11.A O no hydrogen 2.865 N/A THR 37.A OG1 GLU 40.A OE1 no hydrogen 2.738 N/A TYR 38.A N GLU 90.A OE1 no hydrogen 3.019 N/A ARG 41.A N THR 37.A O no hydrogen 3.022 N/A ARG 41.A NE ASN 34.A OD1 no hydrogen 2.879 N/A ARG 41.A NE PRO 35.A O no hydrogen 3.164 N/A ARG 41.A NH1 GLN 89.A O no hydrogen 2.886 N/A ARG 41.A NH1 GLU 90.A O no hydrogen 3.167 N/A ARG 41.A NH2 PRO 35.A O no hydrogen 2.761 N/A ARG 41.A NH2 GLN 89.A O no hydrogen 2.844 N/A ILE 42.A N TYR 38.A O no hydrogen 2.955 N/A ASN 43.A N GLU 39.A O no hydrogen 3.248 N/A LEU 44.A N GLU 40.A O no hydrogen 2.999 N/A ILE 45.A N ARG 41.A O no hydrogen 2.849 N/A LEU 46.A N ILE 42.A O no hydrogen 3.039 N/A GLN 47.A N.A ASN 43.A O no hydrogen 2.815 N/A GLN 47.A N.B ASN 43.A O no hydrogen 2.827 N/A MET 48.A N LEU 44.A O no hydrogen 2.850 N/A CYS 49.A N ILE 45.A O no hydrogen 2.881 N/A CYS 49.A SG ILE 45.A O no hydrogen 3.453 N/A VAL 50.A N LEU 46.A O no hydrogen 2.949 N/A GLU 51.A N GLN 47.A O.A no hydrogen 3.167 N/A GLU 51.A N GLN 47.A O.B no hydrogen 2.959 N/A ALA 52.A N MET 48.A O no hydrogen 2.952 N/A ALA 53.A N CYS 49.A O no hydrogen 2.849 N/A ALA 54.A N VAL 50.A O no hydrogen 2.973 N/A GLU 55.A N GLU 51.A O no hydrogen 2.911 N/A ALA 56.A N ALA 52.A O no hydrogen 2.856 N/A VAL 57.A N ALA 53.A O no hydrogen 3.371 N/A LYS 58.A N ALA 54.A O no hydrogen 3.459 N/A LEU 59.A N GLU 55.A O no hydrogen 2.830 N/A ASN 60.A N VAL 57.A O no hydrogen 2.958 N/A CYS 61.A N ALA 56.A O no hydrogen 2.968 N/A CYS 61.A SG LEU 59.A O no hydrogen 3.918 N/A ARG 62.A N THR 2.A O no hydrogen 2.817 N/A LEU 64.A N SER 4.A O no hydrogen 2.967 N/A VAL 66.A N PRO 107.A O no hydrogen 2.938 N/A GLY 67.A N LEU 6.A O no hydrogen 2.887 N/A ILE 68.A N TRP 109.A O no hydrogen 2.707 N/A SER 69.A N VAL 8.A O no hydrogen 2.714 N/A SER 69.A OG ASP 9.A OD1 no hydrogen 2.637 N/A THR 70.A N ASP 111.A O no hydrogen 3.120 N/A THR 70.A OG1 GLY 71.A O no hydrogen 2.748 N/A GLY 71.A N LEU 10.A O.A no hydrogen 3.188 N/A GLY 71.A N LEU 10.A O.B no hydrogen 3.214 N/A ARG 73.A N HIS 83.A O no hydrogen 2.784 N/A ARG 73.A NH1 GLU 162.A OE2 no hydrogen 2.969 N/A ARG 73.A NH2 HIS 83.A ND1 no hydrogen 2.830 N/A ASN 75.A N ILE 80.A O no hydrogen 2.841 N/A GLU 78.A N ASN 75.A OD1 no hydrogen 2.982 N/A ILE 80.A N ASN 75.A O no hydrogen 3.182 N/A VAL 81.A N VAL 94.A O no hydrogen 2.748 N/A LEU 82.A N ARG 73.A O no hydrogen 2.838 N/A SER 84.A OG TRP 91.A O no hydrogen 2.711 N/A LEU 87.A N THR 85.A OG1 no hydrogen 3.401 N/A ILE 88.A N THR 85.A O no hydrogen 3.078 N/A TRP 91.A NE1 THR 70.A OG1 no hydrogen 3.022 N/A SER 93.A N.A LEU 82.A O no hydrogen 3.107 N/A SER 93.A N.B LEU 82.A O no hydrogen 3.099 N/A SER 93.A OG.A ASN 92.A OD1 no hydrogen 2.809 N/A SER 93.A OG.B SER 93.A O.B no hydrogen 2.658 N/A VAL 94.A N VAL 81.A O no hydrogen 2.907 N/A LEU 96.A N GLY 79.A O no hydrogen 3.037 N/A ARG 97.A N GLY 79.A O no hydrogen 3.301 N/A ARG 97.A NE VAL 108.A O no hydrogen 2.885 N/A ARG 97.A NH1 ARG 77.A O no hydrogen 2.768 N/A ARG 97.A NH2 PRO 76.A O no hydrogen 3.460 N/A ARG 97.A NH2 VAL 108.A O no hydrogen 2.766 N/A THR 98.A N ASP 95.A OD1 no hydrogen 3.037 N/A THR 98.A OG1 ASP 95.A OD1 no hydrogen 3.405 N/A THR 98.A OG1 ASP 95.A OD2 no hydrogen 2.614 N/A LEU 100.A N LEU 96.A O no hydrogen 3.335 N/A SER 101.A N.A ARG 97.A O no hydrogen 2.839 N/A SER 101.A N.B ARG 97.A O no hydrogen 2.826 N/A SER 101.A OG.A ARG 97.A O no hydrogen 3.301 N/A SER 101.A OG.B LEU 106.A O no hydrogen 2.873 N/A ASP 102.A N THR 98.A O no hydrogen 2.847 N/A THR 103.A N PRO 99.A O no hydrogen 3.138 N/A THR 103.A OG1 PRO 99.A O no hydrogen 2.807 N/A LEU 104.A N LEU 100.A O no hydrogen 2.906 N/A HIS 105.A N SER 101.A O.A no hydrogen 2.834 N/A HIS 105.A N SER 101.A O.B no hydrogen 2.806 N/A TRP 109.A N VAL 66.A O no hydrogen 2.895 N/A ASP 111.A N ILE 68.A O no hydrogen 2.970 N/A ASN 112.A N ASP 111.A OD1 no hydrogen 2.678 N/A ASN 112.A ND2 GLY 72.A O no hydrogen 2.897 N/A ASP 113.A N THR 70.A O no hydrogen 2.857 N/A GLY 114.A N ASP 113.A OD1 no hydrogen 2.988 N/A ASN 115.A N ASN 112.A OD1 no hydrogen 3.170 N/A ASN 115.A ND2 ASP 111.A OD1 no hydrogen 2.888 N/A CYS 116.A N ASN 112.A O no hydrogen 2.830 N/A CYS 116.A SG ASP 111.A O no hydrogen 4.032 N/A CYS 116.A SG ASN 112.A O no hydrogen 3.443 N/A ALA 117.A N ASP 113.A O no hydrogen 2.888 N/A ALA 118.A N GLY 114.A O no hydrogen 3.126 N/A LEU 119.A N ASN 115.A O no hydrogen 3.053 N/A ALA 120.A N CYS 116.A O no hydrogen 2.994 N/A GLU 121.A N ALA 117.A O no hydrogen 2.972 N/A ARG 122.A N ALA 118.A O no hydrogen 2.877 N/A ARG 122.A NH1 HIS 150.A O.A no hydrogen 2.699 N/A ARG 122.A NH1 HIS 150.A O.B no hydrogen 2.882 N/A ARG 122.A NH1 GLU 151.A OE1 no hydrogen 3.169 N/A ARG 122.A NH2 TYR 307.A OH no hydrogen 3.098 N/A LYS 123.A N LEU 119.A O no hydrogen 3.092 N/A LYS 123.A NZ ASP 306.A OD1 no hydrogen 2.716 N/A PHE 124.A N ALA 120.A O no hydrogen 2.860 N/A GLY 125.A N ALA 120.A O no hydrogen 3.279 N/A GLY 125.A N GLU 121.A O no hydrogen 3.132 N/A GLN 126.A NE2 VAL 289.A O no hydrogen 3.036 N/A LYS 128.A N GLY 125.A O no hydrogen 3.281 N/A LEU 130.A N GLY 127.A O no hydrogen 3.099 N/A ASN 132.A ND2.B MET 251.A O no hydrogen 3.172 N/A PHE 133.A N ILE 147.A O no hydrogen 2.972 N/A VAL 134.A N LEU 255.A O no hydrogen 3.191 N/A THR 135.A N GLY 145.A O no hydrogen 2.927 N/A THR 135.A OG1 ILE 257.A O no hydrogen 2.715 N/A LEU 136.A N ILE 257.A O no hydrogen 2.957 N/A ILE 137.A N GLY 143.A O no hydrogen 2.780 N/A THR 138.A N SER 259.A O no hydrogen 2.996 N/A GLY 139.A N GLY 141.A O no hydrogen 2.850 N/A THR 140.A OG1 THR 13.A OG1 no hydrogen 2.757 N/A ILE 142.A N GLU 184.A OE1 no hydrogen 2.890 N/A GLY 143.A N ILE 137.A O no hydrogen 2.728 N/A GLY 145.A N THR 135.A O no hydrogen 3.115 N/A ILE 147.A N PHE 133.A O no hydrogen 2.853 N/A HIS 148.A N GLU 151.A O no hydrogen 2.894 N/A HIS 150.A N.A GLU 131.A O.A no hydrogen 2.755 N/A HIS 150.A N.A GLU 131.A O.B no hydrogen 2.867 N/A HIS 150.A N.B GLU 131.A O.A no hydrogen 2.720 N/A HIS 150.A N.B GLU 131.A O.B no hydrogen 2.831 N/A HIS 150.A ND1.B GLU 131.A OE2.B no hydrogen 2.943 N/A GLU 151.A N HIS 148.A O no hydrogen 3.173 N/A ILE 153.A N ILE 146.A O no hydrogen 2.930 N/A HIS 154.A NE2 ASP 111.A OD2 no hydrogen 2.720 N/A PHE 158.A N GLY 155.A O no hydrogen 3.424 N/A ALA 160.A N HIS 154.A O no hydrogen 3.008 N/A HIS 165.A N GLU 162.A O no hydrogen 3.025 N/A LEU 166.A N LEU 163.A O no hydrogen 3.253 N/A VAL 168.A N GLY 181.A O no hydrogen 3.072 N/A ASP 171.A N SER 169.A OG no hydrogen 2.859 N/A CYS 175.A N SER 179.A O no hydrogen 2.841 N/A CYS 175.A SG HIS 165.A ND1 no hydrogen 3.511 N/A SER 176.A OG GLU 184.A OE2 no hydrogen 3.422 N/A CYS 177.A SG HIS 165.A ND1 no hydrogen 3.524 N/A GLY 178.A N CYS 175.A O no hydrogen 2.966 N/A SER 179.A OG HIS 180.A O no hydrogen 3.469 N/A HIS 180.A N SER 179.A OG no hydrogen 2.735 N/A HIS 180.A ND1 ASP 171.A O no hydrogen 2.638 N/A GLY 181.A N PRO 173.A O no hydrogen 2.828 N/A CYS 182.A SG HIS 165.A ND1 no hydrogen 3.819 N/A ILE 183.A N LEU 166.A O no hydrogen 2.816 N/A GLU 184.A N GLY 164.A O no hydrogen 2.927 N/A ALA 185.A N CYS 182.A O no hydrogen 2.904 N/A TYR 186.A N ILE 183.A O no hydrogen 3.020 N/A ALA 187.A N ILE 183.A O no hydrogen 2.870 N/A SER 188.A N GLU 184.A O no hydrogen 3.317 N/A SER 188.A OG THR 140.A O no hydrogen 3.270 N/A SER 188.A OG GLU 184.A O no hydrogen 2.714 N/A GLY 189.A N GLY 139.A O no hydrogen 2.797 N/A MET 190.A N.A THR 140.A O no hydrogen 3.150 N/A MET 190.A N.B THR 140.A O no hydrogen 3.106 N/A ALA 191.A N SER 188.A OG no hydrogen 3.022 N/A LEU 192.A N SER 188.A O no hydrogen 2.999 N/A GLN 193.A N GLY 189.A O no hydrogen 2.773 N/A ARG 194.A N MET 190.A O.A no hydrogen 2.946 N/A ARG 194.A N MET 190.A O.B no hydrogen 2.928 N/A ARG 194.A NE GLU 195.A OE2 no hydrogen 2.855 N/A ARG 194.A NH1 ALA 185.A O no hydrogen 2.870 N/A ARG 194.A NH2 ALA 185.A O no hydrogen 2.989 N/A ARG 194.A NH2 GLU 195.A OE2 no hydrogen 3.067 N/A GLU 195.A N ALA 191.A O no hydrogen 3.135 N/A ALA 196.A N LEU 192.A O no hydrogen 2.835 N/A LYS 197.A N GLN 193.A O no hydrogen 3.159 N/A LYS 197.A NZ GLN 193.A OE1 no hydrogen 3.026 N/A LYS 198.A N ARG 194.A O no hydrogen 3.053 N/A LEU 199.A N GLU 195.A O no hydrogen 3.061 N/A HIS 200.A N ALA 196.A O no hydrogen 3.040 N/A ASP 201.A N LYS 197.A O no hydrogen 2.747 N/A ASP 201.A N LYS 198.A O no hydrogen 3.211 N/A GLU 202.A N LYS 198.A O no hydrogen 3.276 N/A ASP 203.A N HIS 200.A O no hydrogen 3.040 N/A LEU 204.A N LEU 199.A O no hydrogen 2.830 N/A HIS 217.A N GLY 214.A O no hydrogen 3.135 N/A ILE 219.A N ALA 215.A O no hydrogen 3.019 N/A GLN 220.A N LEU 216.A O no hydrogen 2.854 N/A ALA 221.A N HIS 217.A O no hydrogen 2.981 N/A ALA 222.A N LEU 218.A O no hydrogen 3.026 N/A LYS 223.A N ILE 219.A O no hydrogen 3.081 N/A GLY 225.A N ALA 222.A O no hydrogen 3.066 N/A ASN 226.A N ALA 221.A O no hydrogen 3.042 N/A ASN 226.A ND2 LEU 204.A O no hydrogen 3.185 N/A ASN 226.A ND2 LEU 205.A O no hydrogen 2.970 N/A LYS 228.A N ASN 226.A OD1 no hydrogen 3.088 N/A ALA 229.A N ASN 226.A OD1 no hydrogen 3.348 N/A GLN 230.A N ASN 226.A O no hydrogen 3.158 N/A GLN 230.A NE2 ALA 222.A O no hydrogen 3.134 N/A SER 231.A N ALA 227.A O no hydrogen 3.153 N/A ILE 232.A N LYS 228.A O no hydrogen 3.192 N/A LEU 233.A N ALA 229.A O no hydrogen 2.915 N/A ARG 234.A N GLN 230.A O no hydrogen 2.830 N/A THR 235.A N SER 231.A O no hydrogen 2.880 N/A THR 235.A OG1 SER 231.A O no hydrogen 3.388 N/A ALA 236.A N ILE 232.A O no hydrogen 3.031 N/A GLY 237.A N LEU 233.A O no hydrogen 2.909 N/A THR 238.A N ARG 234.A O no hydrogen 2.926 N/A THR 238.A OG1 ARG 234.A O no hydrogen 2.663 N/A ALA 239.A N THR 235.A O no hydrogen 2.904 N/A LEU 240.A N ALA 236.A O no hydrogen 3.065 N/A GLY 241.A N GLY 237.A O no hydrogen 2.883 N/A LEU 242.A N THR 238.A O no hydrogen 2.868 N/A GLY 243.A N ALA 239.A O no hydrogen 2.975 N/A VAL 244.A N LEU 240.A O no hydrogen 2.882 N/A VAL 245.A N GLY 241.A O no hydrogen 2.962 N/A ASN 246.A N.A LEU 242.A O no hydrogen 3.056 N/A ASN 246.A N.B LEU 242.A O no hydrogen 2.996 N/A ASN 246.A ND2.B LEU 242.A O no hydrogen 2.779 N/A ILE 247.A N GLY 243.A O no hydrogen 3.202 N/A LEU 248.A N VAL 244.A O no hydrogen 2.884 N/A HIS 249.A N VAL 245.A O no hydrogen 2.857 N/A THR 250.A N ASN 246.A O.A no hydrogen 2.854 N/A THR 250.A N ILE 247.A O no hydrogen 3.117 N/A THR 250.A OG1 ASN 246.A O.A no hydrogen 2.699 N/A THR 250.A OG1 ASN 246.A O.B no hydrogen 2.547 N/A MET 251.A N ILE 247.A O no hydrogen 2.807 N/A ASN 252.A N ILE 247.A O no hydrogen 3.411 N/A SER 254.A N ASN 132.A O.A no hydrogen 3.411 N/A SER 254.A N ASN 132.A O.B no hydrogen 2.914 N/A SER 254.A N ASN 132.A OD1.A no hydrogen 3.215 N/A SER 254.A OG ASN 132.A O.A no hydrogen 3.065 N/A SER 254.A OG ASN 132.A O.B no hydrogen 3.339 N/A VAL 256.A N ASP 286.A O no hydrogen 2.798 N/A ILE 257.A N VAL 134.A O no hydrogen 2.936 N/A LEU 258.A N VAL 288.A O no hydrogen 2.828 N/A SER 259.A N LEU 136.A O no hydrogen 3.008 N/A ALA 263.A N GLY 260.A O no hydrogen 2.915 N/A HIS 265.A N LEU 262.A O no hydrogen 2.893 N/A TYR 266.A N LEU 262.A O no hydrogen 3.087 N/A TYR 266.A N ALA 263.A O no hydrogen 3.156 N/A TYR 266.A OH ALA 187.A O no hydrogen 2.584 N/A ILE 267.A N ALA 263.A O no hydrogen 3.006 N/A ILE 269.A N TYR 266.A O no hydrogen 3.108 N/A VAL 270.A N TYR 266.A O no hydrogen 3.009 N/A LYS 271.A N ILE 267.A O no hydrogen 3.048 N/A ASP 272.A N HIS 268.A O.A no hydrogen 3.124 N/A ASP 272.A N HIS 268.A O.B no hydrogen 2.864 N/A VAL 273.A N ILE 269.A O no hydrogen 2.845 N/A ILE 274.A N VAL 270.A O no hydrogen 2.933 N/A ARG 275.A N LYS 271.A O no hydrogen 3.038 N/A GLN 276.A N ASP 272.A O no hydrogen 2.937 N/A GLN 277.A N VAL 273.A O no hydrogen 2.858 N/A ALA 278.A N ILE 274.A O no hydrogen 2.901 N/A LEU 279.A N HIS 249.A NE2 no hydrogen 2.973 N/A VAL 282.A N LEU 279.A O no hydrogen 3.107 N/A GLN 283.A N SER 280.A O.A no hydrogen 2.941 N/A GLN 283.A N SER 280.A O.B no hydrogen 3.365 N/A GLN 283.A NE2 ILE 274.A O no hydrogen 3.062 N/A GLN 283.A NE2 ALA 278.A O no hydrogen 3.139 N/A GLN 283.A NE2 LEU 279.A O no hydrogen 3.306 N/A VAL 285.A N VAL 282.A O no hydrogen 3.049 N/A ASP 286.A N SER 254.A O no hydrogen 3.095 N/A VAL 288.A N VAL 256.A O no hydrogen 3.026 N/A SER 290.A N LEU 258.A O no hydrogen 2.866 N/A SER 290.A OG GLU 121.A OE2 no hydrogen 2.576 N/A LEU 292.A N SER 290.A OG no hydrogen 2.982 N/A LEU 297.A N ASP 294.A OD1 no hydrogen 3.268 N/A LEU 298.A N ASP 294.A O no hydrogen 3.073 N/A GLY 299.A N PRO 295.A O no hydrogen 2.754 N/A ALA 300.A N ALA 296.A O no hydrogen 2.985 N/A ALA 301.A N LEU 297.A O no hydrogen 3.061 N/A SER 302.A N LEU 298.A O no hydrogen 2.811 N/A SER 302.A OG GLY 299.A O no hydrogen 2.690 N/A MET 303.A N GLY 299.A O no hydrogen 3.206 N/A MET 303.A N ALA 300.A O no hydrogen 3.250 N/A LEU 305.A N ALA 301.A O no hydrogen 2.936 N/A ASP 306.A N SER 302.A O no hydrogen 2.852 N/A TYR 307.A N MET 303.A O no hydrogen 3.152 N/A TYR 307.A N VAL 304.A O no hydrogen 3.372 N/A THR 308.A N VAL 304.A O no hydrogen 3.092 N/A THR 308.A OG1 LEU 64.A O no hydrogen 3.238 N/A