Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ixs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N PRO 223.A O no hydrogen 3.044 N/A THR 6.A N ASP 4.A OD1 no hydrogen 2.953 N/A THR 6.A OG1 ASP 4.A OD1 no hydrogen 2.590 N/A THR 6.A OG1 ASP 4.A OD2 no hydrogen 3.152 N/A ALA 7.A N ASP 4.A O no hydrogen 3.214 N/A ALA 8.A N ASP 45.A O no hydrogen 3.002 N/A THR 9.A N THR 12.A OG1 no hydrogen 3.070 N/A THR 9.A OG1 THR 12.A OG1 no hydrogen 3.178 N/A THR 12.A N THR 9.A OG1 no hydrogen 3.009 N/A THR 12.A OG1 ALA 7.A O no hydrogen 2.875 N/A THR 12.A OG1 THR 9.A O no hydrogen 3.367 N/A THR 12.A OG1 THR 9.A OG1 no hydrogen 3.178 N/A ALA 13.A N THR 9.A O no hydrogen 2.894 N/A ARG 14.A N ILE 10.A O no hydrogen 2.968 N/A ARG 14.A NE HIS 27.A O no hydrogen 2.845 N/A ALA 15.A N ASP 11.A O no hydrogen 3.053 N/A LEU 16.A N THR 12.A O no hydrogen 2.713 N/A LEU 17.A N ALA 13.A O no hydrogen 2.957 N/A LYS 18.A N ARG 14.A O no hydrogen 3.061 N/A SER 19.A N ALA 15.A O no hydrogen 2.904 N/A PHE 20.A N LEU 16.A O no hydrogen 3.124 N/A GLY 21.A N LYS 18.A O no hydrogen 3.007 N/A PHE 22.A N LEU 17.A O no hydrogen 3.352 N/A ARG 26.A N GLU 23.A O no hydrogen 2.793 N/A ARG 26.A NH1 LYS 83.A O no hydrogen 2.715 N/A HIS 27.A N ALA 24.A O no hydrogen 3.154 N/A ARG 30.A NE THR 84.A OG1 no hydrogen 2.870 N/A ARG 30.A NH2 LYS 83.A O no hydrogen 3.128 N/A SER 31.A N ASN 28.A OD1 no hydrogen 2.892 N/A SER 31.A OG GLN 25.A O no hydrogen 3.028 N/A SER 31.A OG ASN 28.A OD1 no hydrogen 2.763 N/A SER 31.A OG THR 84.A OG1 no hydrogen 2.936 N/A ALA 32.A N ASN 28.A O no hydrogen 2.853 N/A VAL 33.A N VAL 29.A O no hydrogen 2.913 N/A THR 34.A N ARG 30.A O no hydrogen 3.064 N/A THR 34.A OG1 ARG 30.A O no hydrogen 2.758 N/A LEU 35.A N SER 31.A O no hydrogen 3.020 N/A LEU 36.A N ALA 32.A O no hydrogen 2.988 N/A ALA 37.A N VAL 33.A O no hydrogen 2.890 N/A LEU 38.A N THR 34.A O no hydrogen 2.873 N/A ALA 39.A N LEU 35.A O no hydrogen 2.857 N/A GLY 40.A N ALA 37.A O no hydrogen 2.988 N/A LEU 41.A N LEU 36.A O no hydrogen 2.915 N/A LYS 42.A N ASP 45.A OD2 no hydrogen 2.714 N/A ASP 45.A N LYS 42.A O no hydrogen 2.819 N/A HIS 46.A N ASP 49.A OD2 no hydrogen 2.862 N/A HIS 46.A NE2 ASP 4.A OD2 no hydrogen 3.016 N/A TRP 47.A N THR 6.A O no hydrogen 2.786 N/A ASP 49.A N HIS 46.A O no hydrogen 2.785 N/A SER 50.A N TRP 47.A O no hydrogen 2.995 N/A SER 50.A OG TRP 47.A O no hydrogen 2.727 N/A THR 51.A N ALA 39.A O no hydrogen 2.855 N/A THR 51.A OG1 ALA 39.A O no hydrogen 3.311 N/A LEU 55.A N TYR 112.A O no hydrogen 2.904 N/A GLN 58.A NE2 ASP 62.A OD1 no hydrogen 2.887 N/A ILE 60.A N GLY 56.A O no hydrogen 3.041 N/A MET 61.A N VAL 57.A O no hydrogen 2.970 N/A ASP 62.A N GLN 58.A O no hydrogen 2.801 N/A TRP 63.A N LYS 59.A O no hydrogen 2.780 N/A TRP 63.A NE1 LEU 41.A O no hydrogen 2.932 N/A SER 64.A N ILE 60.A O no hydrogen 3.007 N/A SER 64.A OG LYS 70.A O no hydrogen 2.659 N/A GLY 65.A N MET 61.A O no hydrogen 3.056 N/A ALA 66.A N ASP 62.A O no hydrogen 2.844 N/A TYR 67.A N TRP 63.A O no hydrogen 3.091 N/A TRP 68.A N SER 64.A O no hydrogen 2.973 N/A TRP 68.A NE1 LEU 41.A O no hydrogen 2.945 N/A LYS 70.A N SER 64.A O no hydrogen 3.277 N/A SER 76.A N ALA 73.A O no hydrogen 3.031 N/A ARG 77.A N THR 74.A O no hydrogen 3.218 N/A ARG 77.A NE GLN 58.A OE1 no hydrogen 2.750 N/A ARG 77.A NH2 GLN 58.A OE1 no hydrogen 2.956 N/A PHE 80.A N SER 76.A O no hydrogen 3.161 N/A ARG 81.A N ARG 77.A O no hydrogen 3.066 N/A LYS 82.A N GLU 78.A O no hydrogen 2.742 N/A LYS 83.A N ASP 79.A O no hydrogen 2.738 N/A THR 84.A OG1 SER 31.A OG no hydrogen 2.936 N/A LEU 85.A N PHE 80.A O no hydrogen 2.988 N/A ARG 86.A N ARG 81.A O no hydrogen 3.032 N/A GLN 87.A NE2 LYS 82.A O no hydrogen 2.853 N/A TRP 88.A N THR 84.A O no hydrogen 3.137 N/A VAL 89.A N LEU 85.A O no hydrogen 2.860 N/A ASP 90.A N ARG 86.A O no hydrogen 2.993 N/A ASN 91.A N GLN 87.A O no hydrogen 3.129 N/A ASN 91.A N TRP 88.A O no hydrogen 3.135 N/A ASN 91.A ND2 GLN 87.A O no hydrogen 2.865 N/A GLY 92.A N VAL 89.A O no hydrogen 2.957 N/A PHE 93.A N TRP 88.A O no hydrogen 2.863 N/A ALA 94.A N TRP 88.A O no hydrogen 3.323 N/A VAL 95.A N CYS 113.A O no hydrogen 2.685 N/A ASN 97.A N GLU 111.A O no hydrogen 2.804 N/A ASN 97.A ND2 LEU 101.A O no hydrogen 2.790 N/A ASN 100.A N ASN 97.A O no hydrogen 2.787 N/A LEU 101.A N ASN 97.A OD1 no hydrogen 2.897 N/A SER 107.A N ALA 104.A O no hydrogen 3.059 N/A LEU 109.A N SER 107.A OG no hydrogen 3.009 N/A ASN 110.A N SER 107.A O no hydrogen 3.179 N/A ASN 110.A ND2 ALA 104.A O no hydrogen 2.728 N/A ASN 110.A ND2 SER 107.A O no hydrogen 2.567 N/A TYR 112.A N LEU 55.A O no hydrogen 2.706 N/A CYS 113.A N VAL 95.A O no hydrogen 3.187 N/A CYS 113.A SG LEU 114.A O no hydrogen 3.767 N/A SER 115.A N PHE 93.A O no hydrogen 3.062 N/A SER 115.A OG GLY 92.A O no hydrogen 2.648 N/A SER 115.A OG PHE 93.A O no hydrogen 3.344 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.901 N/A ALA 118.A N SER 115.A OG no hydrogen 3.074 N/A ALA 119.A N SER 115.A O no hydrogen 2.806 N/A GLN 120.A N ASP 116.A O no hydrogen 2.960 N/A ALA 121.A N GLU 117.A O no hydrogen 3.250 N/A ILE 122.A N ALA 118.A O no hydrogen 2.719 N/A ARG 123.A N ALA 119.A O no hydrogen 2.954 N/A SER 124.A N.A ALA 121.A O no hydrogen 3.003 N/A SER 124.A N.B ALA 121.A O no hydrogen 3.013 N/A SER 124.A OG.A GLN 120.A O no hydrogen 2.632 N/A SER 124.A OG.B GLN 120.A O no hydrogen 3.069 N/A SER 124.A OG.B ALA 121.A O no hydrogen 2.741 N/A TYR 125.A N ILE 122.A O no hydrogen 3.048 N/A THR 127.A N SER 124.A O.A no hydrogen 3.072 N/A THR 127.A N SER 124.A O.B no hydrogen 3.069 N/A THR 127.A OG1 SER 124.A O.A no hydrogen 2.587 N/A THR 127.A OG1 SER 124.A O.B no hydrogen 2.590 N/A ALA 129.A N THR 127.A OG1 no hydrogen 3.174 N/A PHE 130.A N THR 127.A O no hydrogen 3.213 N/A SER 132.A OG ALA 129.A O no hydrogen 2.992 N/A ALA 133.A N ALA 129.A O no hydrogen 3.087 N/A LEU 134.A N PHE 130.A O no hydrogen 2.853 N/A VAL 135.A N GLU 131.A O no hydrogen 3.350 N/A LEU 138.A N LEU 134.A O no hydrogen 2.868 N/A SER 139.A N VAL 135.A O no hydrogen 2.901 N/A SER 139.A OG ASP 136.A O no hydrogen 3.120 N/A LYS 140.A N PHE 137.A O no hydrogen 3.072 N/A LYS 140.A NZ GLU 117.A OE2 no hydrogen 3.124 N/A ALA 141.A N LEU 138.A O no hydrogen 3.015 N/A SER 142.A N ASN 91.A OD1 no hydrogen 2.837 N/A SER 142.A OG ASN 91.A OD1 no hydrogen 2.634 N/A SER 142.A OG THR 144.A OG1 no hydrogen 3.097 N/A THR 144.A OG1 SER 142.A OG no hydrogen 3.097 N/A VAL 145.A N SER 142.A O no hydrogen 3.193 N/A VAL 145.A N SER 142.A OG no hydrogen 3.189 N/A ARG 146.A N SER 142.A O no hydrogen 2.980 N/A ALA 147.A N ASP 143.A O no hydrogen 2.881 N/A ARG 148.A N THR 144.A O no hydrogen 3.018 N/A ARG 148.A NH1 GLY 21.A O no hydrogen 2.873 N/A ALA 149.A N VAL 145.A O no hydrogen 2.946 N/A GLU 150.A N ARG 146.A O no hydrogen 2.962 N/A ALA 151.A N ALA 147.A O no hydrogen 2.928 N/A LEU 152.A N.A ARG 148.A O no hydrogen 3.114 N/A LEU 152.A N.B ARG 148.A O no hydrogen 3.140 N/A ARG 153.A N ALA 149.A O no hydrogen 3.447 N/A ARG 153.A NE GLU 131.A OE1 no hydrogen 2.898 N/A ARG 153.A NE GLU 131.A OE2 no hydrogen 3.279 N/A ARG 153.A NH1 SER 19.A O no hydrogen 2.852 N/A ARG 153.A NH1 ALA 149.A O no hydrogen 3.127 N/A ARG 153.A NH2 SER 19.A O no hydrogen 3.110 N/A ARG 153.A NH2 SER 19.A OG no hydrogen 2.918 N/A ARG 153.A NH2 GLU 131.A OE2 no hydrogen 3.138 N/A ALA 154.A N GLU 150.A O no hydrogen 2.933 N/A ALA 155.A N ALA 151.A O no hydrogen 3.228 N/A MET 156.A N ARG 153.A O no hydrogen 3.115 N/A ILE 157.A N LEU 169.A O no hydrogen 2.720 N/A SER 158.A OG GLU 166.A OE1 no hydrogen 2.552 N/A VAL 159.A N PHE 167.A O no hydrogen 2.809 N/A ASP 160.A N GLU 183.A OE2 no hydrogen 2.954 N/A LEU 161.A N ASP 165.A O no hydrogen 2.937 N/A ALA 162.A N ASP 160.A OD1 no hydrogen 3.237 N/A ASP 165.A N ALA 162.A O no hydrogen 2.756 N/A PHE 167.A N VAL 159.A O no hydrogen 2.759 N/A LEU 169.A N ILE 157.A O no hydrogen 2.758 N/A SER 170.A N ASP 200.A OD2 no hydrogen 3.388 N/A GLN 174.A N THR 201.A OG1 no hydrogen 3.273 N/A ASN 175.A N ALA 172.A O no hydrogen 3.183 N/A ASN 175.A ND2 SER 170.A O no hydrogen 2.782 N/A ASN 175.A ND2 ASP 200.A OD1 no hydrogen 2.879 N/A LEU 178.A N GLN 174.A O no hydrogen 2.968 N/A LYS 179.A N ASN 175.A O no hydrogen 2.967 N/A LYS 179.A NZ SER 158.A O no hydrogen 2.669 N/A LYS 179.A NZ GLU 183.A OE1 no hydrogen 2.788 N/A LYS 179.A NZ GLU 183.A OE2 no hydrogen 3.137 N/A LYS 180.A N PRO 176.A O no hydrogen 3.163 N/A LYS 180.A NZ GLU 278.A OE1 no hydrogen 3.472 N/A MET 181.A N LEU 177.A O no hydrogen 2.805 N/A VAL 182.A N LEU 178.A O no hydrogen 3.128 N/A GLU 183.A N LYS 179.A O no hydrogen 2.876 N/A GLU 184.A N LYS 180.A O no hydrogen 2.718 N/A PHE 185.A N LYS 180.A O no hydrogen 3.141 N/A MET 186.A N MET 181.A O no hydrogen 3.168 N/A ARG 188.A NE ASP 303.A OD1 no hydrogen 2.779 N/A ARG 188.A NH1 GLU 184.A O no hydrogen 2.920 N/A ARG 188.A NH1 GLU 184.A OE1 no hydrogen 2.933 N/A PHE 189.A N PHE 185.A O no hydrogen 2.929 N/A ALA 190.A N MET 186.A O no hydrogen 2.741 N/A ALA 193.A N ALA 190.A O no hydrogen 3.044 N/A LYS 194.A N HIS 233.A O no hydrogen 2.897 N/A LEU 196.A N VAL 231.A O no hydrogen 2.869 N/A TYR 197.A N VAL 231.A O no hydrogen 3.360 N/A ILE 198.A N ARG 207.A O no hydrogen 3.094 N/A GLY 199.A N ASP 229.A O no hydrogen 3.283 N/A ASP 200.A N HIS 205.A O no hydrogen 2.887 N/A THR 201.A N ASN 175.A OD1 no hydrogen 2.912 N/A THR 201.A OG1 ASN 175.A OD1 no hydrogen 2.647 N/A ARG 202.A N ASP 200.A OD1 no hydrogen 2.753 N/A HIS 205.A ND1 GLU 5.A OE1 no hydrogen 2.627 N/A THR 206.A N GLU 5.A OE1 no hydrogen 3.179 N/A THR 206.A OG1 ILE 3.A O no hydrogen 2.578 N/A ARG 207.A N ILE 198.A O no hydrogen 2.854 N/A ARG 207.A NH1 ASP 165.A OD1 no hydrogen 3.499 N/A ARG 207.A NH1 ASP 165.A OD2 no hydrogen 2.729 N/A ARG 207.A NH2 ASP 165.A OD1 no hydrogen 2.836 N/A GLU 209.A N LEU 196.A O no hydrogen 2.805 N/A LYS 210.A N PHE 208.A O no hydrogen 2.945 N/A LYS 210.A NZ GLU 214.A OE2 no hydrogen 2.861 N/A PHE 213.A N GLU 209.A O no hydrogen 2.930 N/A GLU 214.A N LYS 210.A O no hydrogen 2.819 N/A GLU 215.A N ARG 211.A O no hydrogen 2.689 N/A THR 216.A N ILE 212.A O no hydrogen 3.076 N/A LEU 217.A N ILE 212.A O no hydrogen 3.126 N/A LEU 217.A N PHE 213.A O no hydrogen 3.226 N/A GLY 218.A N GLU 214.A O no hydrogen 3.083 N/A LEU 219.A N PHE 213.A O no hydrogen 2.873 N/A HIS 224.A N ASP 222.A OD1 no hydrogen 2.872 N/A GLY 225.A N ASP 222.A O no hydrogen 2.740 N/A ARG 226.A NH2 GLU 244.A OE2 no hydrogen 3.416 N/A ASP 229.A N GLU 244.A OE1 no hydrogen 3.222 N/A LEU 230.A N MET 243.A O no hydrogen 3.046 N/A VAL 231.A N TYR 197.A O no hydrogen 2.898 N/A LEU 232.A N PHE 241.A O no hydrogen 2.937 N/A HIS 233.A N LYS 194.A O no hydrogen 2.797 N/A ASP 234.A N TRP 239.A O no hydrogen 2.875 N/A VAL 236.A N ASP 234.A OD1 no hydrogen 3.094 N/A ARG 237.A N.A ASP 234.A OD1 no hydrogen 3.134 N/A ARG 237.A N.B ASP 234.A OD1 no hydrogen 3.115 N/A ARG 237.A NE.A ASP 234.A OD2 no hydrogen 3.219 N/A ARG 237.A NH2.A PHE 189.A O no hydrogen 2.881 N/A ARG 237.A NH2.A ASP 234.A OD2 no hydrogen 2.982 N/A TRP 239.A N ASP 234.A O no hydrogen 3.057 N/A LEU 240.A N GLY 270.A O no hydrogen 2.784 N/A PHE 241.A N LEU 232.A O no hydrogen 2.758 N/A LEU 242.A N VAL 272.A O no hydrogen 2.833 N/A MET 243.A N LEU 230.A O no hydrogen 2.801 N/A GLU 244.A N VAL 274.A O no hydrogen 3.090 N/A ALA 245.A N ASP 229.A OD2 no hydrogen 2.764 N/A VAL 246.A N CYS 276.A O no hydrogen 3.064 N/A LYS 247.A NZ ASP 229.A OD1 no hydrogen 3.313 N/A LYS 247.A NZ ASP 229.A OD2 no hydrogen 2.769 N/A LYS 247.A NZ ALA 245.A O no hydrogen 2.996 N/A GLY 250.A N LYS 247.A O no hydrogen 2.646 N/A PHE 252.A N ASN 275.A OD1 no hydrogen 2.819 N/A ARG 256.A N ASP 253.A OD1 no hydrogen 2.994 N/A ARG 256.A NH1 GLU 244.A OE2 no hydrogen 3.046 N/A ARG 256.A NH2 GLU 244.A OE1 no hydrogen 3.447 N/A ARG 256.A NH2 GLU 244.A OE2 no hydrogen 3.511 N/A HIS 257.A N ASP 253.A O no hydrogen 2.866 N/A ARG 258.A N GLU 254.A O no hydrogen 2.993 N/A ARG 258.A NE GLU 254.A OE2 no hydrogen 3.024 N/A ARG 258.A NH2 GLU 254.A OE2 no hydrogen 2.833 N/A THR 259.A N GLU 255.A O no hydrogen 2.944 N/A THR 259.A OG1 GLU 255.A O no hydrogen 2.965 N/A THR 259.A OG1 GLU 255.A OE2 no hydrogen 2.745 N/A LEU 260.A N ARG 256.A O no hydrogen 2.837 N/A ARG 261.A N HIS 257.A O no hydrogen 2.887 N/A ARG 261.A NH2 GLU 293.A OE1 no hydrogen 2.845 N/A GLU 262.A N ARG 258.A O no hydrogen 3.257 N/A LEU 263.A N THR 259.A O no hydrogen 2.942 N/A PHE 264.A N LEU 260.A O no hydrogen 2.865 N/A ALA 265.A N GLU 262.A O no hydrogen 3.139 N/A THR 266.A OG1 LEU 217.A O no hydrogen 2.623 N/A VAL 268.A N THR 266.A OG1 no hydrogen 3.039 N/A GLY 270.A N LYS 238.A O no hydrogen 3.067 N/A VAL 272.A N LEU 240.A O no hydrogen 2.911 N/A VAL 274.A N LEU 242.A O no hydrogen 2.978 N/A ASN 275.A N GLU 295.A O no hydrogen 2.868 N/A ASN 275.A ND2 PHE 252.A O no hydrogen 3.525 N/A CYS 276.A N GLU 244.A O no hydrogen 2.834 N/A CYS 276.A SG VAL 274.A O no hydrogen 3.955 N/A PHE 277.A N TRP 297.A O no hydrogen 3.021 N/A ALA 282.A N ASN 279.A OD1 no hydrogen 2.813 N/A MET 283.A N ASN 279.A O no hydrogen 3.131 N/A ARG 284.A N ARG 280.A O no hydrogen 3.203 N/A ARG 284.A N GLU 281.A O no hydrogen 3.363 N/A ARG 284.A NE GLU 281.A O no hydrogen 2.814 N/A ARG 284.A NH2 GLU 281.A O no hydrogen 3.471 N/A TRP 286.A N MET 283.A O no hydrogen 3.027 N/A LEU 287.A N ARG 284.A O no hydrogen 3.183 N/A GLU 289.A N TRP 286.A O no hydrogen 2.889 N/A LEU 290.A N LEU 287.A O no hydrogen 3.381 N/A ALA 291.A N PHE 252.A O no hydrogen 2.998 N/A GLU 293.A N LEU 308.A O no hydrogen 2.699 N/A THR 294.A N LEU 308.A O no hydrogen 3.356 N/A THR 294.A OG1 ALA 291.A O no hydrogen 2.531 N/A GLU 295.A N PHE 273.A O no hydrogen 2.847 N/A ALA 296.A N ILE 306.A O no hydrogen 2.738 N/A TRP 297.A N ASN 275.A O no hydrogen 2.971 N/A TRP 297.A NE1 PRO 302.A O no hydrogen 2.846 N/A ALA 299.A N PHE 277.A O no hydrogen 2.979 N/A ASP 300.A N GLU 278.A O no hydrogen 3.106 N/A ASP 301.A N VAL 298.A O no hydrogen 3.061 N/A HIS 304.A N ASP 301.A O no hydrogen 3.136 N/A ILE 306.A N ALA 296.A O no hydrogen 2.891 N/A HIS 307.A ND1 GLU 295.A OE1 no hydrogen 2.790 N/A LEU 308.A N THR 294.A O no hydrogen 2.920 N/A PHE 313.A N GLY 310.A O no hydrogen 3.210 N/A LEU 314.A N SER 311.A O.A no hydrogen 2.928 N/A LEU 314.A N SER 311.A O.B no hydrogen 2.981 N/A