Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qha_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 58.A OD1 no hydrogen 2.984 N/A LEU 4.A N GLY 26.A O no hydrogen 3.070 N/A GLY 5.A N LEU 59.A O no hydrogen 2.865 N/A TYR 6.A N THR 28.A O no hydrogen 2.868 N/A TYR 6.A OH THR 63.A OG1 no hydrogen 2.792 N/A ILE 7.A N HIS 61.A O no hydrogen 2.725 N/A GLY 8.A N TYR 30.A O no hydrogen 3.005 N/A LEU 9.A N ASP 31.A OD1 no hydrogen 2.835 N/A ALA 14.A N GLY 10.A O no hydrogen 2.980 N/A MET 16.A N MET 12.A O no hydrogen 3.264 N/A ALA 17.A N GLY 13.A O no hydrogen 3.021 N/A THR 18.A N ALA 14.A O no hydrogen 2.801 N/A THR 18.A OG1 ALA 14.A O no hydrogen 2.657 N/A ARG 19.A N PRO 15.A O no hydrogen 2.925 N/A ARG 19.A NE HIS 149.A O no hydrogen 2.803 N/A ARG 19.A NH2 HIS 149.A O no hydrogen 2.777 N/A MET 20.A N MET 16.A O no hydrogen 2.956 N/A THR 21.A N ALA 17.A O no hydrogen 3.196 N/A THR 21.A N THR 18.A O no hydrogen 3.127 N/A THR 21.A OG1 THR 18.A O no hydrogen 2.456 N/A THR 21.A OG1 ALA 43.A O no hydrogen 3.465 N/A GLU 22.A N ARG 19.A O no hydrogen 3.130 N/A TRP 23.A N MET 20.A O no hydrogen 3.103 N/A TRP 23.A NE1 LEU 2.A O no hydrogen 2.781 N/A GLY 26.A N TRP 23.A O no hydrogen 2.845 N/A THR 28.A N LEU 4.A O no hydrogen 2.853 N/A VAL 29.A N THR 46.A O no hydrogen 2.939 N/A TYR 30.A N TYR 6.A O no hydrogen 2.776 N/A ARG 33.A N ASP 31.A OD2 no hydrogen 2.813 N/A ALA 36.A N ARG 33.A O no hydrogen 3.179 N/A ALA 41.A N MET 37.A O no hydrogen 3.089 N/A GLU 42.A N THR 38.A O no hydrogen 3.013 N/A ALA 43.A N PRO 39.A O no hydrogen 2.924 N/A GLY 44.A N ALA 41.A O no hydrogen 2.988 N/A ALA 45.A N LEU 40.A O no hydrogen 2.741 N/A THR 46.A N VAL 27.A O no hydrogen 3.026 N/A ALA 48.A N VAL 29.A O no hydrogen 3.141 N/A ASP 49.A N ASP 53.A OD1 no hydrogen 3.276 N/A ASP 53.A N SER 50.A OG no hydrogen 3.115 N/A VAL 54.A N VAL 51.A O no hydrogen 3.041 N/A ALA 55.A N ALA 52.A O no hydrogen 3.233 N/A ALA 57.A N VAL 54.A O no hydrogen 3.013 N/A ASP 58.A N LYS 3.A O no hydrogen 2.919 N/A LEU 59.A N LYS 3.A O no hydrogen 3.238 N/A ILE 60.A N VAL 86.A O no hydrogen 2.862 N/A HIS 61.A N GLY 5.A O no hydrogen 2.695 N/A HIS 61.A ND1 HIS 90.A NE2 no hydrogen 2.806 N/A ILE 62.A N ALA 88.A O no hydrogen 2.916 N/A THR 63.A N ILE 7.A O no hydrogen 2.963 N/A THR 63.A OG1 TYR 6.A OH no hydrogen 2.792 N/A VAL 64.A N SER 91.A OG no hydrogen 3.010 N/A GLN 69.A N ASP 66.A OD1 no hydrogen 3.020 N/A VAL 70.A N ASP 66.A O no hydrogen 3.084 N/A ARG 71.A N ASP 67.A O no hydrogen 2.897 N/A ARG 71.A NH2 GLU 100.A OE2 no hydrogen 3.079 N/A GLU 72.A N ALA 68.A O no hydrogen 3.065 N/A VAL 73.A N GLN 69.A O no hydrogen 2.897 N/A VAL 74.A N VAL 70.A O no hydrogen 2.761 N/A GLY 75.A N ARG 71.A O no hydrogen 2.771 N/A GLU 76.A N GLU 72.A O no hydrogen 3.126 N/A LEU 77.A N VAL 73.A O no hydrogen 2.948 N/A ALA 78.A N VAL 74.A O no hydrogen 2.850 N/A HIS 80.A N LEU 77.A O no hydrogen 3.020 N/A HIS 80.A ND1 GLU 76.A O no hydrogen 3.120 N/A ALA 81.A N LEU 77.A O no hydrogen 2.873 N/A GLY 84.A N ASP 109.A O no hydrogen 2.779 N/A THR 85.A N LYS 82.A O no hydrogen 3.230 N/A THR 85.A OG1 LYS 82.A O no hydrogen 2.579 N/A VAL 86.A N ASP 58.A O no hydrogen 2.849 N/A ILE 87.A N HIS 111.A O no hydrogen 2.781 N/A ALA 88.A N ILE 60.A O no hydrogen 2.876 N/A ILE 89.A N VAL 113.A O no hydrogen 2.812 N/A HIS 90.A N ILE 62.A O no hydrogen 2.935 N/A HIS 90.A ND1 ALA 115.A O no hydrogen 2.645 N/A HIS 90.A NE2 HIS 61.A ND1 no hydrogen 2.806 N/A SER 91.A OG VAL 64.A O no hydrogen 2.980 N/A SER 94.A N ASP 67.A OD1 no hydrogen 2.836 N/A THR 97.A N SER 94.A O no hydrogen 3.021 N/A THR 97.A OG1 ASP 67.A OD1 no hydrogen 2.629 N/A VAL 99.A N ASP 95.A O no hydrogen 3.146 N/A GLU 100.A N THR 96.A O no hydrogen 2.900 N/A LEU 101.A N THR 97.A O no hydrogen 2.962 N/A ALA 102.A N ALA 98.A O no hydrogen 3.037 N/A ARG 103.A N VAL 99.A O no hydrogen 2.990 N/A ASP 104.A N GLU 100.A O no hydrogen 2.940 N/A LEU 105.A N LEU 101.A O no hydrogen 3.099 N/A LYS 106.A N ALA 102.A O no hydrogen 3.033 N/A ARG 108.A N LEU 105.A O no hydrogen 3.182 N/A ASP 109.A N LYS 106.A O no hydrogen 2.947 N/A ILE 110.A N LEU 105.A O no hydrogen 3.235 N/A HIS 111.A N THR 85.A O no hydrogen 2.958 N/A VAL 113.A N ILE 87.A O no hydrogen 2.759 N/A ASP 114.A N GLY 134.A O no hydrogen 3.321 N/A ALA 115.A N ILE 89.A O no hydrogen 2.704 N/A SER 118.A N ALA 130.A O no hydrogen 2.884 N/A ALA 124.A N GLY 120.A O no hydrogen 3.003 N/A ALA 125.A N ALA 121.A O no hydrogen 2.941 N/A ARG 126.A N ALA 122.A O no hydrogen 3.181 N/A GLY 127.A N ALA 124.A O no hydrogen 3.120 N/A GLU 128.A N ALA 123.A O no hydrogen 2.819 N/A ALA 130.A N SER 118.A O no hydrogen 2.562 N/A THR 131.A N VAL 153.A O no hydrogen 2.867 N/A THR 131.A OG1 ALA 115.A O no hydrogen 3.211 N/A THR 131.A OG1 PRO 116.A O no hydrogen 3.076 N/A MET 132.A N PRO 116.A O no hydrogen 3.132 N/A VAL 133.A N ILE 155.A O no hydrogen 2.838 N/A GLY 134.A N ASP 114.A O no hydrogen 2.823 N/A ALA 135.A N GLY 158.A O no hydrogen 2.871 N/A ARG 137.A NE GLU 141.A OE1 no hydrogen 3.020 N/A ARG 137.A NH2 HIS 156.A ND1 no hydrogen 3.262 N/A GLU 138.A N ASP 136.A OD1 no hydrogen 3.344 N/A TYR 140.A N ASP 136.A O no hydrogen 2.835 N/A TYR 140.A OH VAL 154.A O no hydrogen 3.263 N/A GLU 141.A N ARG 137.A O no hydrogen 2.994 N/A ARG 142.A N GLU 138.A O no hydrogen 3.279 N/A ILE 143.A N VAL 139.A O no hydrogen 3.209 N/A PHE 147.A N ILE 143.A O no hydrogen 2.870 N/A LYS 148.A N LYS 144.A O no hydrogen 2.750 N/A LYS 148.A NZ ALA 152.A O no hydrogen 3.376 N/A HIS 149.A N ALA 146.A O no hydrogen 3.249 N/A HIS 149.A NE2 ARG 19.A O no hydrogen 2.786 N/A TRP 150.A N PHE 147.A O no hydrogen 3.119 N/A ALA 151.A N PHE 147.A O no hydrogen 2.868 N/A ALA 152.A N LEU 129.A O no hydrogen 2.806 N/A VAL 153.A N LEU 129.A O no hydrogen 3.243 N/A ILE 155.A N THR 131.A O no hydrogen 2.996 N/A HIS 156.A NE2 ALA 135.A O no hydrogen 3.033 N/A ALA 157.A N VAL 133.A O no hydrogen 2.691 N/A GLY 161.A N ASP 114.A OD1 no hydrogen 2.967 N/A GLY 161.A N ASP 114.A OD2 no hydrogen 3.177 N/A ALA 162.A N GLU 159.A O no hydrogen 2.875 N/A THR 164.A N ASP 114.A OD2 no hydrogen 2.833 N/A THR 164.A OG1 ASP 114.A OD2 no hydrogen 2.702 N/A ARG 165.A N GLY 161.A O no hydrogen 3.054 N/A ARG 165.A NH1 ASP 95.A OD1 no hydrogen 2.681 N/A MET 166.A N ALA 162.A O no hydrogen 2.895 N/A LYS 167.A N GLY 163.A O no hydrogen 2.938 N/A LEU 168.A N THR 164.A O no hydrogen 2.886 N/A ALA 169.A N ARG 165.A O no hydrogen 3.162 N/A ARG 170.A N MET 166.A O no hydrogen 2.947 N/A ARG 170.A NH1 ARG 170.A O no hydrogen 2.963 N/A ASN 171.A N LYS 167.A O no hydrogen 2.825 N/A MET 172.A N LEU 168.A O no hydrogen 3.024 N/A LEU 173.A N ALA 169.A O no hydrogen 3.349 N/A THR 174.A N ARG 170.A O no hydrogen 3.160 N/A THR 174.A OG1 ARG 170.A O no hydrogen 3.439 N/A PHE 175.A N ASN 171.A O no hydrogen 2.956 N/A THR 176.A N MET 172.A O no hydrogen 2.968 N/A THR 176.A OG1 MET 172.A O no hydrogen 2.687 N/A SER 177.A N LEU 173.A O no hydrogen 2.922 N/A SER 177.A OG LEU 173.A O no hydrogen 3.261 N/A SER 177.A OG THR 174.A O no hydrogen 2.803 N/A TYR 178.A N THR 174.A O no hydrogen 2.990 N/A ALA 179.A N PHE 175.A O no hydrogen 3.049 N/A ALA 180.A N THR 176.A O no hydrogen 2.968 N/A ALA 181.A N SER 177.A O no hydrogen 2.788 N/A CYS 182.A N TYR 178.A O no hydrogen 3.069 N/A CYS 182.A SG TYR 178.A O no hydrogen 3.368 N/A GLU 183.A N ALA 179.A O no hydrogen 3.079 N/A ALA 184.A N ALA 180.A O no hydrogen 2.919 N/A MET 185.A N ALA 181.A O no hydrogen 2.995 N/A LYS 186.A N CYS 182.A O no hydrogen 2.973 N/A LEU 187.A N GLU 183.A O no hydrogen 3.143 N/A ALA 188.A N ALA 184.A O no hydrogen 2.944 N/A GLU 189.A N MET 185.A O no hydrogen 2.963 N/A ALA 190.A N LYS 186.A O no hydrogen 3.133 N/A ALA 191.A N LEU 187.A O no hydrogen 2.995 N/A ALA 191.A N ALA 188.A O no hydrogen 3.079 N/A GLY 192.A N GLU 189.A O no hydrogen 2.942 N/A LEU 193.A N ALA 188.A O no hydrogen 2.986 N/A ALA 197.A N ASP 194.A OD1 no hydrogen 3.014 N/A LEU 198.A N ASP 194.A O no hydrogen 3.196 N/A GLY 199.A N LEU 195.A O no hydrogen 2.913 N/A ARG 200.A N GLN 196.A O no hydrogen 3.048 N/A VAL 201.A N ALA 197.A O no hydrogen 3.031 N/A VAL 202.A N LEU 198.A O no hydrogen 2.956 N/A ARG 203.A N GLY 199.A O no hydrogen 3.047 N/A HIS 204.A N ARG 200.A O no hydrogen 3.028 N/A THR 205.A N VAL 201.A O no hydrogen 2.924 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.708 N/A THR 205.A OG1 VAL 202.A O no hydrogen 3.129 N/A ASP 206.A N VAL 202.A O no hydrogen 2.951 N/A ALA 207.A N ARG 203.A O no hydrogen 3.198 N/A LEU 208.A N HIS 204.A O no hydrogen 3.242 N/A THR 209.A N THR 205.A O no hydrogen 2.780 N/A THR 209.A OG1 THR 205.A O no hydrogen 3.050 N/A GLY 210.A N ASP 206.A O no hydrogen 2.744 N/A ALA 214.A N GLY 211.A O no hydrogen 2.842 N/A ILE 215.A N PRO 212.A O no hydrogen 3.218 N/A MET 216.A N GLY 213.A O no hydrogen 3.022 N/A ARG 218.A NH1 GLY 272.A O no hydrogen 2.764 N/A LYS 222.A N ASN 220.A OD1 no hydrogen 2.958 N/A LEU 224.A N GLY 274.A O no hydrogen 2.779 N/A ASN 228.A N GLU 225.A O no hydrogen 2.791 N/A LEU 230.A N ASN 228.A OD1 no hydrogen 2.835 N/A TYR 231.A N ASN 228.A O no hydrogen 3.006 N/A PHE 234.A N LEU 230.A O no hydrogen 3.053 N/A LEU 235.A N TYR 231.A O no hydrogen 2.859 N/A HIS 236.A N GLN 232.A O no hydrogen 2.846 N/A THR 237.A N PRO 233.A O no hydrogen 2.964 N/A THR 237.A OG1 PRO 233.A O no hydrogen 3.246 N/A ARG 238.A N PHE 234.A O no hydrogen 2.847 N/A ARG 238.A NH1 VAL 275.A O no hydrogen 2.859 N/A GLY 239.A N LEU 235.A O no hydrogen 3.144 N/A LEU 240.A N HIS 236.A O no hydrogen 3.040 N/A GLY 241.A N THR 237.A O no hydrogen 2.776 N/A GLU 242.A N ARG 238.A O no hydrogen 2.905 N/A LYS 243.A N GLY 239.A O no hydrogen 2.983 N/A ASP 244.A N LEU 240.A O no hydrogen 2.908 N/A LEU 245.A N GLY 241.A O no hydrogen 2.984 N/A SER 246.A N GLU 242.A O no hydrogen 3.037 N/A SER 246.A OG GLU 242.A O no hydrogen 2.866 N/A SER 246.A OG LYS 243.A O no hydrogen 2.749 N/A LEU 247.A N LYS 243.A O no hydrogen 2.908 N/A ALA 248.A N ASP 244.A O no hydrogen 2.876 N/A LEU 249.A N LEU 245.A O no hydrogen 2.878 N/A ALA 250.A N SER 246.A O no hydrogen 2.943 N/A LEU 251.A N LEU 247.A O no hydrogen 3.051 N/A GLY 252.A N ALA 248.A O no hydrogen 2.803 N/A GLU 253.A N LEU 249.A O no hydrogen 3.083 N/A ALA 254.A N ALA 250.A O no hydrogen 2.941 N/A VAL 255.A N LEU 251.A O no hydrogen 2.850 N/A VAL 257.A N GLY 252.A O no hydrogen 2.766 N/A LEU 261.A N GLU 183.A OE1 no hydrogen 3.070 N/A ALA 262.A N GLU 183.A OE2 no hydrogen 2.842 N/A ARG 263.A N LEU 259.A O no hydrogen 2.976 N/A LEU 264.A N PRO 260.A O no hydrogen 3.035 N/A ALA 265.A N LEU 261.A O no hydrogen 2.879 N/A TYR 266.A N ALA 262.A O no hydrogen 2.768 N/A GLU 267.A N ARG 263.A O no hydrogen 3.114 N/A GLY 268.A N LEU 264.A O no hydrogen 2.958 N/A GLY 268.A N ALA 265.A O no hydrogen 3.127 N/A LEU 269.A N ALA 265.A O no hydrogen 2.756 N/A GLY 272.A N GLY 268.A O no hydrogen 3.022 N/A LEU 273.A N LEU 269.A O no hydrogen 2.931 N/A GLY 274.A N ALA 271.A O no hydrogen 3.332 N/A VAL 275.A N ALA 270.A O no hydrogen 3.042 N/A HIS 277.A NE2 GLU 242.A OE2 no hydrogen 2.600 N/A