Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1thm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A N PRO 21.A O no hydrogen 2.818 N/A TYR 1.A N ASP 25.A OD1 no hydrogen 2.825 N/A TYR 1.A OH GLU 28.A OE2 no hydrogen 2.575 N/A ASN 4.A N ASN 84.A OD1 no hydrogen 2.924 N/A TYR 7.A N GLY 88.A O no hydrogen 3.101 N/A PHE 8.A N ASP 5.A O no hydrogen 3.267 N/A SER 10.A OG PRO 6.A O no hydrogen 3.389 N/A ARG 11.A N TYR 7.A O no hydrogen 2.864 N/A ARG 11.A NH1 TYR 210.A OH no hydrogen 3.005 N/A GLN 12.A N TYR 7.A O no hydrogen 3.076 N/A GLN 12.A NE2 ALA 90.A O no hydrogen 3.106 N/A TYR 13.A OH SER 207.A O no hydrogen 2.647 N/A GLN 16.A N GLN 16.A OE1 no hydrogen 2.766 N/A GLN 16.A NE2 PHE 8.A O no hydrogen 2.927 N/A GLN 16.A NE2 GLN 12.A O no hydrogen 3.336 N/A LYS 17.A N TYR 13.A O no hydrogen 2.901 N/A LYS 17.A NZ GLN 186.A O no hydrogen 2.962 N/A ILE 18.A N GLY 14.A O no hydrogen 3.175 N/A GLN 19.A N GLN 16.A O no hydrogen 3.091 N/A GLN 19.A NE2 GLN 22.A OE1 no hydrogen 2.613 N/A ALA 20.A N PRO 15.A O no hydrogen 2.937 N/A ALA 23.A N GLN 19.A O no hydrogen 3.238 N/A TRP 24.A N ALA 20.A O no hydrogen 2.958 N/A TRP 24.A N PRO 21.A O no hydrogen 3.212 N/A TRP 24.A NE1 THR 92.A O no hydrogen 2.836 N/A ASP 25.A N GLN 22.A O no hydrogen 3.295 N/A ILE 26.A N ALA 23.A O no hydrogen 2.864 N/A ALA 27.A N ALA 23.A O no hydrogen 2.899 N/A GLY 29.A N SER 240.A OG no hydrogen 3.132 N/A ALA 32.A N GLY 29.A O no hydrogen 3.021 N/A LYS 33.A NZ GLN 125.A O no hydrogen 2.628 N/A ILE 34.A N SER 97.A O no hydrogen 2.852 N/A ALA 35.A N VAL 129.A O no hydrogen 2.835 N/A ILE 36.A N LEU 99.A O no hydrogen 2.955 N/A VAL 37.A N SER 131.A O no hydrogen 3.208 N/A ASP 38.A N VAL 101.A O no hydrogen 2.979 N/A THR 39.A N ASP 38.A OD1 no hydrogen 2.756 N/A THR 39.A OG1 ASP 38.A OD1 no hydrogen 3.443 N/A VAL 41.A N PRO 65.A O no hydrogen 3.008 N/A GLN 42.A N THR 73.A OG1 no hydrogen 2.936 N/A GLN 42.A NE2 ASN 44.A OD1 no hydrogen 3.000 N/A GLN 42.A NE2 SER 216.A OG no hydrogen 3.063 N/A HIS 45.A N GLN 42.A O no hydrogen 3.127 N/A HIS 45.A NE2 THR 217.A O no hydrogen 2.752 N/A ASP 47.A N HIS 45.A ND1 no hydrogen 2.914 N/A LEU 48.A N HIS 45.A O no hydrogen 2.896 N/A ALA 49.A N HIS 45.A O no hydrogen 2.904 N/A LYS 51.A N LEU 48.A O no hydrogen 2.925 N/A LYS 51.A NZ ALA 80.A O no hydrogen 2.750 N/A LYS 51.A NZ PRO 94.A O no hydrogen 2.823 N/A LYS 51.A NZ ALA 96.A O no hydrogen 2.807 N/A VAL 53.A N ILE 98.A O no hydrogen 2.984 N/A TRP 56.A N ALA 100.A O no hydrogen 3.216 N/A TRP 56.A NE1 ASN 61.A OD1 no hydrogen 3.071 N/A ASP 57.A N ASP 62.A O no hydrogen 2.861 N/A PHE 58.A N ARG 102.A O no hydrogen 2.861 N/A VAL 59.A N ASP 57.A OD1 no hydrogen 2.810 N/A ASP 60.A N ASP 57.A OD1 no hydrogen 2.873 N/A ASP 62.A N ASP 57.A O no hydrogen 3.080 N/A THR 64.A N ASP 62.A OD1 no hydrogen 2.851 N/A GLN 66.A N GLN 66.A OE1 no hydrogen 2.987 N/A ASN 67.A ND2 THR 39.A O no hydrogen 3.534 N/A ASN 69.A ND2 ASN 106.A O no hydrogen 3.004 N/A HIS 71.A N ASN 69.A OD1 no hydrogen 3.119 N/A HIS 71.A ND1 ASP 38.A OD1 no hydrogen 2.642 N/A HIS 71.A NE2 SER 225.A OG no hydrogen 2.905 N/A GLY 72.A N THR 39.A OG1 no hydrogen 2.856 N/A THR 73.A N ASN 67.A OD1 no hydrogen 2.975 N/A THR 73.A OG1 ASN 67.A OD1 no hydrogen 2.619 N/A HIS 74.A N GLY 70.A O no hydrogen 3.079 N/A HIS 74.A NE2 ALA 219.A O no hydrogen 2.917 N/A CYS 75.A N HIS 71.A O no hydrogen 3.023 N/A CYS 75.A SG HIS 71.A O no hydrogen 3.437 N/A CYS 75.A SG SER 133.A OG no hydrogen 3.524 N/A CYS 75.A SG SER 225.A O no hydrogen 3.460 N/A ALA 76.A N GLY 72.A O no hydrogen 2.907 N/A GLY 77.A N THR 73.A O no hydrogen 3.058 N/A ILE 78.A N HIS 74.A O no hydrogen 3.126 N/A ALA 79.A N CYS 75.A O no hydrogen 3.097 N/A ALA 80.A N ALA 76.A O no hydrogen 2.876 N/A ALA 81.A N GLY 77.A O no hydrogen 3.021 N/A VAL 82.A N ASP 47.A O no hydrogen 2.870 N/A THR 83.A OG1 ALA 81.A O no hydrogen 2.838 N/A ASN 84.A N ASP 5.A OD1 no hydrogen 2.799 N/A ASN 85.A ND2 ASP 47.A OD1 no hydrogen 2.784 N/A SER 86.A N ASN 4.A OD1 no hydrogen 2.862 N/A THR 87.A OG1 ASN 85.A O no hydrogen 2.881 N/A ILE 89.A N ASP 47.A OD2 no hydrogen 2.994 N/A ALA 90.A N GLN 12.A OE1 no hydrogen 2.904 N/A GLY 91.A N THR 83.A OG1 no hydrogen 2.996 N/A THR 92.A N ILE 78.A O no hydrogen 2.935 N/A THR 92.A OG1 ILE 78.A O no hydrogen 2.932 N/A ALA 93.A N ALA 79.A O no hydrogen 2.865 N/A LYS 95.A N GLU 28.A O no hydrogen 2.847 N/A LYS 95.A NZ GLU 28.A OE1 no hydrogen 2.789 N/A ALA 96.A N ALA 93.A O no hydrogen 3.214 N/A SER 97.A N ALA 32.A O no hydrogen 2.899 N/A ILE 98.A N LYS 51.A O no hydrogen 2.777 N/A LEU 99.A N ILE 34.A O no hydrogen 2.930 N/A ALA 100.A N GLY 54.A O no hydrogen 2.980 N/A VAL 101.A N ILE 36.A O no hydrogen 3.103 N/A ARG 102.A N TRP 56.A O no hydrogen 2.992 N/A ARG 102.A NE THR 39.A O no hydrogen 3.286 N/A ARG 102.A NH1 ASP 57.A OD1 no hydrogen 3.407 N/A ARG 102.A NH1 ASP 57.A OD2 no hydrogen 2.974 N/A ARG 102.A NH1 ASP 60.A OD2 no hydrogen 3.004 N/A VAL 103.A N ASP 38.A O no hydrogen 2.798 N/A LEU 104.A N ASP 38.A O no hydrogen 3.061 N/A ASP 105.A N SER 109.A O no hydrogen 2.828 N/A SER 107.A N ASP 105.A OD1 no hydrogen 2.849 N/A SER 107.A OG ASP 105.A OD1 no hydrogen 2.584 N/A GLY 108.A N ASP 105.A O no hydrogen 3.014 N/A SER 109.A N SER 107.A OG no hydrogen 3.353 N/A ALA 114.A N THR 111.A OG1 no hydrogen 3.101 N/A VAL 115.A N THR 111.A O no hydrogen 3.171 N/A ALA 116.A N TRP 112.A O no hydrogen 2.849 N/A ASN 117.A N THR 113.A O no hydrogen 2.939 N/A GLY 118.A N ALA 114.A O no hydrogen 2.886 N/A ILE 119.A N VAL 115.A O no hydrogen 2.994 N/A THR 120.A N ALA 116.A O no hydrogen 3.014 N/A THR 120.A OG1 ALA 116.A O no hydrogen 3.086 N/A TYR 121.A N ASN 117.A O no hydrogen 2.877 N/A ALA 122.A N GLY 118.A O no hydrogen 2.947 N/A ALA 123.A N ILE 119.A O no hydrogen 3.081 N/A ASP 124.A N THR 120.A O no hydrogen 2.925 N/A GLN 125.A N TYR 121.A O no hydrogen 2.891 N/A GLN 125.A N ALA 122.A O no hydrogen 3.272 N/A GLY 126.A N ALA 123.A O no hydrogen 3.047 N/A ALA 127.A N ALA 122.A O no hydrogen 3.067 N/A LYS 128.A N LYS 33.A O no hydrogen 3.094 N/A ILE 130.A N VAL 156.A O no hydrogen 2.751 N/A SER 131.A N ALA 35.A O no hydrogen 2.861 N/A LEU 132.A N VAL 158.A O no hydrogen 2.875 N/A SER 133.A OG SER 225.A O no hydrogen 2.721 N/A GLY 136.A N TYR 171.A O no hydrogen 2.918 N/A ASN 140.A N TYR 175.A OH no hydrogen 3.153 N/A LEU 143.A N ASN 140.A OD1 no hydrogen 2.957 N/A GLN 144.A N ASN 140.A O no hydrogen 2.971 N/A GLN 145.A N SER 141.A O no hydrogen 2.912 N/A ALA 146.A N GLY 142.A O no hydrogen 2.994 N/A VAL 147.A N LEU 143.A O no hydrogen 2.953 N/A ASN 148.A N GLN 144.A O no hydrogen 2.967 N/A TYR 149.A N GLN 145.A O no hydrogen 2.867 N/A TYR 149.A OH ASP 124.A OD1 no hydrogen 2.570 N/A ALA 150.A N ALA 146.A O no hydrogen 3.013 N/A TRP 151.A N VAL 147.A O no hydrogen 3.035 N/A ASN 152.A N ASN 148.A O no hydrogen 2.923 N/A ASN 152.A ND2 ASN 148.A O no hydrogen 2.889 N/A LYS 153.A N TYR 149.A O no hydrogen 3.044 N/A LYS 153.A N ALA 150.A O no hydrogen 3.159 N/A LYS 153.A NZ ASP 124.A OD1 no hydrogen 3.198 N/A LYS 153.A NZ TYR 149.A OH no hydrogen 3.322 N/A GLY 154.A N TRP 151.A O no hydrogen 2.934 N/A SER 155.A N ALA 150.A O no hydrogen 2.886 N/A SER 155.A OG ALA 127.A O no hydrogen 2.647 N/A VAL 156.A N LYS 128.A O no hydrogen 2.934 N/A VAL 158.A N ILE 130.A O no hydrogen 2.928 N/A ALA 159.A N ILE 179.A O no hydrogen 2.862 N/A ALA 160.A N LEU 132.A O no hydrogen 3.055 N/A ALA 161.A N VAL 181.A O no hydrogen 2.853 N/A GLY 162.A N THR 224.A OG1 no hydrogen 3.037 N/A ALA 164.A N THR 195.A OG1 no hydrogen 3.136 N/A GLY 165.A N PHE 193.A O no hydrogen 2.959 N/A ALA 168.A N ASN 166.A OD1 no hydrogen 3.160 N/A TYR 171.A N GLY 136.A O no hydrogen 2.830 N/A TYR 174.A N ASN 170.A O no hydrogen 2.824 N/A TYR 175.A N PRO 172.A O no hydrogen 3.030 N/A ASN 177.A ND2 ASN 148.A OD1 no hydrogen 2.974 N/A ALA 178.A N TYR 175.A O no hydrogen 3.113 N/A ILE 179.A N VAL 157.A O no hydrogen 2.912 N/A ALA 180.A N ASP 201.A OD2 no hydrogen 2.882 N/A VAL 181.A N ALA 159.A O no hydrogen 2.935 N/A ALA 182.A N VAL 202.A O no hydrogen 2.915 N/A SER 183.A N SER 194.A OG no hydrogen 3.070 N/A SER 183.A OG THR 184.A O no hydrogen 3.518 N/A SER 183.A OG SER 191.A OG no hydrogen 2.772 N/A THR 184.A N ALA 204.A O no hydrogen 2.973 N/A ASP 185.A N ASN 189.A O no hydrogen 2.906 N/A ASN 187.A N ASP 185.A OD1 no hydrogen 2.804 N/A ASP 188.A N ASP 185.A O no hydrogen 2.986 N/A ASN 189.A N ASP 185.A OD1 no hydrogen 2.954 N/A SER 191.A N SER 183.A O no hydrogen 2.891 N/A SER 191.A OG SER 183.A OG no hydrogen 2.772 N/A SER 191.A OG SER 207.A OG no hydrogen 2.698 N/A SER 194.A N SER 191.A O no hydrogen 3.084 N/A SER 194.A OG THR 195.A O no hydrogen 2.796 N/A THR 195.A N GLY 162.A O no hydrogen 2.888 N/A TYR 196.A N ASN 166.A O no hydrogen 3.037 N/A GLY 197.A N TYR 265.A O no hydrogen 2.900 N/A TRP 199.A NE1 THR 167.A O no hydrogen 2.947 N/A VAL 200.A N GLY 197.A O no hydrogen 3.046 N/A ASP 201.A N ALA 180.A O no hydrogen 3.125 N/A VAL 202.A N ALA 180.A O no hydrogen 3.161 N/A ALA 203.A N GLY 269.A O no hydrogen 2.935 N/A ALA 204.A N ALA 182.A O no hydrogen 3.022 N/A GLY 206.A N THR 184.A O no hydrogen 2.886 N/A SER 207.A OG SER 191.A OG no hydrogen 2.698 N/A SER 208.A N SER 222.A OG no hydrogen 2.819 N/A ILE 209.A N LEU 221.A O no hydrogen 2.942 N/A SER 211.A N ALA 219.A O no hydrogen 2.944 N/A SER 211.A OG HIS 74.A O no hydrogen 2.746 N/A THR 212.A N SER 211.A OG no hydrogen 2.723 N/A THR 212.A OG1 THR 73.A O no hydrogen 2.859 N/A TYR 213.A N THR 217.A O no hydrogen 2.914 N/A SER 216.A N GLN 42.A OE1 no hydrogen 2.749 N/A THR 217.A N TYR 213.A O no hydrogen 2.887 N/A TYR 218.A N THR 217.A OG1 no hydrogen 2.772 N/A ALA 219.A N SER 211.A O no hydrogen 2.942 N/A LEU 221.A N ILE 209.A O no hydrogen 3.065 N/A GLY 223.A N GLY 206.A O no hydrogen 2.838 N/A THR 224.A N ASN 163.A OD1 no hydrogen 2.815 N/A THR 224.A OG1 ASN 163.A OD1 no hydrogen 2.946 N/A SER 225.A OG HIS 71.A NE2 no hydrogen 2.905 N/A SER 225.A OG SER 133.A O no hydrogen 3.260 N/A MET 226.A N GLY 223.A O no hydrogen 2.915 N/A ALA 227.A N GLY 223.A O no hydrogen 3.281 N/A THR 228.A N THR 224.A O no hydrogen 3.034 N/A THR 228.A OG1 THR 224.A O no hydrogen 2.820 N/A HIS 230.A N ALA 227.A O no hydrogen 3.082 N/A HIS 230.A ND1 MET 226.A O no hydrogen 3.061 N/A VAL 231.A N ALA 227.A O no hydrogen 3.472 N/A ALA 232.A N THR 228.A O no hydrogen 2.939 N/A GLY 233.A N PRO 229.A O no hydrogen 2.843 N/A VAL 234.A N HIS 230.A O no hydrogen 3.047 N/A ALA 235.A N VAL 231.A O no hydrogen 2.910 N/A GLY 236.A N ALA 232.A O no hydrogen 2.919 N/A LEU 237.A N GLY 233.A O no hydrogen 3.023 N/A LEU 238.A N VAL 234.A O no hydrogen 3.018 N/A ALA 239.A N ALA 235.A O no hydrogen 2.876 N/A SER 240.A N GLY 236.A O no hydrogen 3.082 N/A SER 240.A OG LEU 237.A O no hydrogen 2.660 N/A GLN 241.A N LEU 238.A O no hydrogen 2.998 N/A GLN 241.A NE2 VAL 277.A O no hydrogen 2.958 N/A GLY 242.A N ALA 239.A O no hydrogen 2.955 N/A ARG 243.A NE GLN 241.A OE1 no hydrogen 2.867 N/A ARG 243.A NH1 ASN 247.A OD1 no hydrogen 2.837 N/A ARG 243.A NH1 TYR 279.A O no hydrogen 2.982 N/A ARG 243.A NH2 GLN 241.A OE1 no hydrogen 3.272 N/A ARG 243.A NH2 VAL 277.A O no hydrogen 3.102 N/A ARG 243.A NH2 TYR 279.A O no hydrogen 2.871 N/A SER 244.A OG SER 246.A OG no hydrogen 3.230 N/A SER 246.A OG SER 244.A OG no hydrogen 3.230 N/A ASN 247.A N SER 244.A OG no hydrogen 3.257 N/A ILE 248.A N SER 244.A O no hydrogen 2.833 N/A ARG 249.A N ALA 245.A O no hydrogen 3.058 N/A ARG 249.A NE GLU 253.A OE2 no hydrogen 2.939 N/A ARG 249.A NH1 SER 176.A O no hydrogen 2.908 N/A ARG 249.A NH1 ALA 178.A O no hydrogen 3.255 N/A ARG 249.A NH2 ALA 178.A O no hydrogen 3.246 N/A ARG 249.A NH2 GLU 253.A OE2 no hydrogen 2.975 N/A ALA 250.A N SER 246.A O no hydrogen 3.088 N/A ALA 251.A N ASN 247.A O no hydrogen 2.861 N/A ILE 252.A N ILE 248.A O no hydrogen 3.085 N/A GLU 253.A N ARG 249.A O no hydrogen 2.989 N/A ASN 254.A N ALA 250.A O no hydrogen 2.782 N/A ASN 254.A ND2 TYR 279.A OH no hydrogen 2.977 N/A THR 255.A OG1 ALA 251.A O no hydrogen 2.596 N/A ASP 257.A N ARG 270.A O no hydrogen 2.815 N/A LYS 258.A NZ LYS 268.A O no hydrogen 2.699 N/A ILE 259.A N ASP 257.A O no hydrogen 3.040 N/A THR 262.A N ILE 259.A O no hydrogen 3.015 N/A THR 262.A OG1 ILE 259.A O no hydrogen 2.646 N/A GLY 263.A N TRP 266.A O no hydrogen 2.765 N/A THR 264.A N GLY 261.A O no hydrogen 2.989 N/A TYR 265.A N GLY 261.A O no hydrogen 2.752 N/A TRP 266.A NE1 THR 262.A OG1 no hydrogen 3.006 N/A ALA 267.A N VAL 200.A O no hydrogen 2.741 N/A LYS 268.A N ASP 201.A O no hydrogen 2.914 N/A ARG 270.A N ASP 257.A O no hydrogen 2.884 N/A ARG 270.A NE ASP 188.A OD1 no hydrogen 2.849 N/A ARG 270.A NH1 ASP 257.A OD2 no hydrogen 2.800 N/A ARG 270.A NH1 VAL 271.A O no hydrogen 2.930 N/A ARG 270.A NH2 ASP 188.A OD2 no hydrogen 2.813 N/A ARG 270.A NH2 ASP 257.A OD2 no hydrogen 3.507 N/A VAL 271.A N ALA 203.A O no hydrogen 2.963 N/A ASN 272.A ND2 GLN 19.A OE1 no hydrogen 2.813 N/A ASN 272.A ND2 ASP 257.A OD2 no hydrogen 2.950 N/A ALA 273.A N ILE 18.A O no hydrogen 2.757 N/A LYS 275.A N ASN 272.A OD1 no hydrogen 2.898 N/A LYS 275.A NZ THR 255.A O no hydrogen 2.929 N/A LYS 275.A NZ ASP 257.A OD1 no hydrogen 2.779 N/A ALA 276.A N ASN 272.A O no hydrogen 3.021 N/A VAL 277.A N ALA 273.A O no hydrogen 3.048 N/A GLN 278.A N LYS 275.A O no hydrogen 3.119 N/A GLN 278.A NE2 TYR 274.A O no hydrogen 3.104 N/A TYR 279.A N ALA 276.A O no hydrogen 3.097 N/A