Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N SER 19.A O no hydrogen 2.774 N/A LYS 6.A N LEU 17.A O no hydrogen 3.110 N/A LEU 8.A N ILE 15.A O no hydrogen 2.813 N/A PHE 10.A N ASN 13.A O no hydrogen 2.897 N/A GLY 12.A N GLU 9.A OE2 no hydrogen 2.982 N/A ASN 13.A N PHE 10.A O no hydrogen 2.972 N/A GLN 14.A N SER 67.A OG no hydrogen 2.766 N/A ILE 15.A N LEU 8.A O no hydrogen 2.798 N/A CYS 16.A N SER 66.A OG no hydrogen 2.864 N/A CYS 16.A SG GLU 5.A OE1 no hydrogen 3.788 N/A LEU 17.A N LYS 6.A O no hydrogen 2.846 N/A CYS 18.A N ALA 57.A O no hydrogen 3.077 N/A SER 19.A N GLU 4.A O no hydrogen 2.866 N/A TRP 20.A N VAL 55.A O no hydrogen 2.973 N/A TRP 20.A NE1 GLN 42.A OE1 no hydrogen 2.979 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.790 N/A HIS 25.A N SER 22.A O no hydrogen 2.947 N/A VAL 28.A N ARG 54.A O no hydrogen 2.802 N/A LEU 29.A N LEU 97.A O no hydrogen 2.782 N/A CYS 30.A N VAL 56.A O no hydrogen 2.862 N/A ILE 31.A N VAL 99.A O no hydrogen 2.781 N/A HIS 32.A ND1 GLY 33.A O no hydrogen 2.787 N/A LEU 35.A N HIS 63.A NE2 no hydrogen 3.069 N/A GLU 36.A N GLY 33.A O no hydrogen 3.252 N/A GLN 37.A NE2 LEU 181.A O no hydrogen 3.131 N/A GLY 38.A N ASP 59.A OD1 no hydrogen 2.732 N/A ALA 40.A N GLN 37.A O no hydrogen 3.031 N/A TRP 41.A N GLY 38.A O no hydrogen 3.038 N/A GLN 42.A N LEU 39.A O no hydrogen 2.928 N/A ALA 45.A N TRP 41.A O no hydrogen 2.775 N/A LEU 46.A N GLN 42.A O no hydrogen 2.987 N/A ALA 49.A N ALA 45.A O no hydrogen 2.821 N/A ALA 50.A N LEU 46.A O no hydrogen 2.956 N/A GLN 51.A N PRO 47.A O no hydrogen 3.276 N/A GLN 51.A N LEU 48.A O no hydrogen 3.099 N/A GLY 52.A N ALA 49.A O no hydrogen 3.158 N/A TYR 53.A N LEU 48.A O no hydrogen 3.224 N/A ARG 54.A N PRO 26.A O no hydrogen 2.862 N/A ARG 54.A NH1 GLU 4.A OE1 no hydrogen 3.414 N/A ARG 54.A NH1 GLY 21.A O no hydrogen 2.804 N/A VAL 55.A N TRP 20.A O no hydrogen 2.882 N/A VAL 56.A N VAL 28.A O no hydrogen 2.867 N/A ALA 57.A N CYS 18.A O no hydrogen 2.726 N/A ASP 59.A N CYS 16.A O no hydrogen 2.855 N/A LEU 60.A N HIS 32.A NE2 no hydrogen 2.945 N/A PHE 61.A N GLN 83.A OE1 no hydrogen 2.955 N/A GLY 62.A N SER 67.A O no hydrogen 2.891 N/A HIS 63.A N LEU 60.A O no hydrogen 2.919 N/A HIS 63.A ND1 PHE 61.A O no hydrogen 2.960 N/A ARG 65.A N ASP 59.A OD2 no hydrogen 2.754 N/A ARG 65.A NH1 GLU 5.A OE1 no hydrogen 2.856 N/A SER 66.A N HIS 63.A O no hydrogen 3.013 N/A SER 66.A OG ASP 59.A O no hydrogen 2.742 N/A SER 67.A N GLN 14.A O no hydrogen 2.979 N/A SER 67.A OG GLN 14.A O no hydrogen 3.394 N/A HIS 68.A NE2 SER 196.A O no hydrogen 2.729 N/A LEU 69.A N TYR 75.A OH no hydrogen 2.885 N/A SER 74.A N MET 71.A O no hydrogen 2.875 N/A SER 74.A OG MET 71.A O no hydrogen 3.130 N/A TYR 75.A N VAL 72.A O no hydrogen 3.044 N/A TYR 75.A OH ASP 198.A OD2 no hydrogen 2.596 N/A SER 76.A OG THR 79.A OG1 no hydrogen 3.170 N/A SER 77.A OG.A ASN 211.A O no hydrogen 2.548 N/A SER 77.A OG.B ASN 211.A O no hydrogen 2.717 N/A THR 79.A N SER 76.A OG no hydrogen 2.982 N/A THR 79.A OG1 SER 74.A O no hydrogen 2.669 N/A THR 79.A OG1 SER 76.A OG no hydrogen 3.170 N/A PHE 80.A N SER 76.A O no hydrogen 3.141 N/A LEU 81.A N SER 77.A O no hydrogen 2.846 N/A ALA 82.A N LEU 78.A O no hydrogen 2.922 N/A GLN 83.A N THR 79.A O no hydrogen 2.905 N/A GLN 83.A NE2 ASP 59.A O no hydrogen 2.827 N/A ILE 84.A N PHE 80.A O no hydrogen 2.930 N/A ASP 85.A N LEU 81.A O no hydrogen 2.873 N/A ARG 86.A N ALA 82.A O no hydrogen 2.969 N/A ARG 86.A NH1 ARG 86.A O no hydrogen 2.965 N/A ARG 86.A NH1 GLU 90.A OE2 no hydrogen 2.849 N/A ARG 86.A NH2 GLU 90.A OE2 no hydrogen 3.071 N/A VAL 87.A N GLN 83.A O no hydrogen 3.048 N/A ILE 88.A N ILE 84.A O no hydrogen 2.915 N/A GLN 89.A N ASP 85.A O no hydrogen 3.043 N/A GLU 90.A N ARG 86.A O no hydrogen 3.198 N/A GLU 90.A N VAL 87.A O no hydrogen 3.031 N/A LEU 91.A N ILE 88.A O no hydrogen 2.986 N/A LEU 96.A N LYS 118.A O no hydrogen 2.839 N/A LEU 97.A N VAL 27.A O no hydrogen 3.171 N/A LEU 98.A N GLU 121.A O no hydrogen 2.994 N/A VAL 99.A N LEU 29.A O no hydrogen 2.829 N/A GLY 100.A N ILE 123.A O no hydrogen 3.046 N/A HIS 101.A N ILE 31.A O no hydrogen 3.013 N/A HIS 101.A NE2 HIS 265.A O no hydrogen 2.912 N/A SER 102.A N VAL 125.A O no hydrogen 2.884 N/A GLY 104.A N HIS 101.A O no hydrogen 2.740 N/A MET 106.A N SER 102.A O no hydrogen 3.074 N/A LEU 107.A N MET 103.A O no hydrogen 2.911 N/A ALA 108.A N GLY 104.A O no hydrogen 2.879 N/A THR 109.A N ALA 105.A O no hydrogen 2.985 N/A THR 109.A OG1.A MET 106.A O no hydrogen 2.604 N/A THR 109.A OG1.B ALA 105.A O no hydrogen 2.983 N/A ALA 110.A N MET 106.A O no hydrogen 3.183 N/A ILE 111.A N LEU 107.A O no hydrogen 2.928 N/A ALA 112.A N ALA 108.A O no hydrogen 2.790 N/A SER 113.A N THR 109.A O no hydrogen 3.030 N/A SER 113.A N ALA 110.A O no hydrogen 3.171 N/A SER 113.A OG.A ALA 110.A O no hydrogen 2.764 N/A SER 113.A OG.B THR 109.A O no hydrogen 2.717 N/A VAL 114.A N ALA 110.A O no hydrogen 3.159 N/A VAL 114.A N ILE 111.A O no hydrogen 3.258 N/A ARG 115.A N ILE 111.A O no hydrogen 2.805 N/A ARG 115.A NE ASP 85.A OD1 no hydrogen 2.894 N/A ARG 115.A NH2 ASP 85.A OD2 no hydrogen 2.784 N/A LYS 118.A N ARG 115.A O no hydrogen 2.950 N/A ILE 119.A N PRO 116.A O no hydrogen 3.176 N/A LYS 120.A N LEU 96.A O no hydrogen 2.740 N/A LEU 122.A N PRO 229.A O no hydrogen 2.840 N/A ILE 123.A N LEU 98.A O no hydrogen 2.848 N/A LEU 124.A N THR 231.A O no hydrogen 2.880 N/A VAL 125.A N GLY 100.A O no hydrogen 2.838 N/A GLU 126.A N VAL 233.A O no hydrogen 2.815 N/A ASN 138.A N SER 135.A OG no hydrogen 3.124 N/A GLN 139.A N SER 135.A O no hydrogen 3.133 N/A LEU 140.A N ALA 136.A O no hydrogen 2.768 N/A THR 141.A N VAL 137.A O no hydrogen 2.894 N/A THR 141.A OG1 VAL 137.A O no hydrogen 3.022 N/A THR 142.A N ASN 138.A O no hydrogen 3.172 N/A THR 142.A OG1 ASN 138.A O no hydrogen 2.897 N/A CYS 143.A N GLN 139.A O no hydrogen 3.035 N/A LEU 144.A N LEU 140.A O no hydrogen 2.946 N/A ASP 145.A N THR 141.A O no hydrogen 2.983 N/A TYR 146.A N THR 142.A O no hydrogen 2.990 N/A TYR 146.A OH ILE 200.A O no hydrogen 2.497 N/A LEU 147.A N CYS 143.A O no hydrogen 2.887 N/A SER 148.A OG.A LEU 144.A O no hydrogen 3.387 N/A SER 148.A OG.B LEU 144.A O no hydrogen 3.389 N/A SER 148.A OG.B ASP 145.A O no hydrogen 3.218 N/A SER 149.A N TYR 146.A O no hydrogen 2.862 N/A SER 149.A OG TYR 146.A O no hydrogen 2.631 N/A GLN 152.A NE2 THR 150.A O no hydrogen 3.208 N/A HIS 153.A NE2 TRP 197.A O no hydrogen 2.790 N/A PHE 156.A N VAL 193.A O no hydrogen 2.805 N/A THR 161.A N ASP 158.A OD1 no hydrogen 2.809 N/A THR 161.A OG1 ASP 158.A OD1 no hydrogen 2.800 N/A ALA 162.A N ASP 158.A O no hydrogen 3.424 N/A ALA 163.A N VAL 159.A O no hydrogen 2.877 N/A SER 164.A N ALA 160.A O no hydrogen 2.937 N/A SER 164.A OG.A THR 161.A O no hydrogen 2.843 N/A ARG 165.A N THR 161.A O no hydrogen 2.993 N/A LEU 166.A N ALA 162.A O no hydrogen 3.094 N/A ARG 167.A N ALA 163.A O no hydrogen 3.037 N/A ARG 167.A NH1 SER 178.A OG no hydrogen 2.825 N/A GLN 168.A N SER 164.A O no hydrogen 2.874 N/A ALA 169.A N ARG 165.A O no hydrogen 3.128 N/A ILE 170.A N LEU 166.A O no hydrogen 2.797 N/A SER 172.A OG ASP 270.A OD1 no hydrogen 2.557 N/A LEU 173.A N ILE 170.A O no hydrogen 3.026 N/A PHE 177.A N SER 174.A OG no hydrogen 2.850 N/A SER 178.A N SER 174.A O no hydrogen 2.933 N/A SER 178.A OG SER 174.A O no hydrogen 3.344 N/A SER 178.A OG GLU 175.A O no hydrogen 2.759 N/A TYR 179.A N GLU 175.A O no hydrogen 3.088 N/A ILE 180.A N GLU 176.A O no hydrogen 2.935 N/A LEU 181.A N PHE 177.A O no hydrogen 2.893 N/A ALA 182.A N SER 178.A O no hydrogen 2.998 N/A GLN 183.A N TYR 179.A O no hydrogen 2.882 N/A ARG 184.A N LEU 181.A O no hydrogen 3.171 N/A ARG 184.A NE GLU 5.A OE1 no hydrogen 3.065 N/A ARG 184.A NH1 GLN 37.A OE1 no hydrogen 2.778 N/A ARG 184.A NH1 ASP 59.A OD1 no hydrogen 3.087 N/A ARG 184.A NH1 ASP 59.A OD2 no hydrogen 3.287 N/A ARG 184.A NH2 GLU 5.A OE1 no hydrogen 2.975 N/A ARG 184.A NH2 ASP 59.A OD2 no hydrogen 2.801 N/A ILE 185.A N ALA 182.A O no hydrogen 3.201 N/A THR 186.A OG1 ALA 182.A O no hydrogen 2.843 N/A THR 186.A OG1 GLN 183.A O no hydrogen 3.548 N/A GLN 187.A N ARG 194.A O no hydrogen 2.847 N/A ASN 189.A N GLY 192.A O no hydrogen 2.877 N/A GLN 190.A NE2 ASN 189.A OD1 no hydrogen 2.794 N/A GLY 192.A N ASN 189.A O no hydrogen 2.916 N/A VAL 193.A N PHE 156.A O no hydrogen 2.832 N/A ARG 194.A N GLN 187.A O no hydrogen 2.850 N/A ARG 194.A NE GLN 187.A OE1 no hydrogen 2.873 N/A ARG 194.A NH2 GLN 187.A OE1 no hydrogen 3.061 N/A SER 196.A N ILE 185.A O no hydrogen 2.824 N/A ASP 198.A N GLY 62.A O no hydrogen 2.872 N/A ILE 200.A N ASP 198.A OD1 no hydrogen 3.266 N/A ILE 201.A N ASP 198.A O no hydrogen 3.014 N/A ARG 202.A N ALA 199.A O no hydrogen 3.075 N/A ARG 202.A NH2.A GLN 152.A O no hydrogen 2.949 N/A THR 203.A OG1 TYR 146.A OH no hydrogen 3.413 N/A ARG 204.A NH2 ASN 210.A OD1 no hydrogen 2.712 N/A LEU 207.A N THR 203.A O no hydrogen 3.440 N/A GLY 208.A N SER 205.A O no hydrogen 3.048 N/A LEU 209.A N ARG 204.A O no hydrogen 3.064 N/A ASN 211.A N GLY 208.A O no hydrogen 3.285 N/A GLY 214.A N GLN 218.A OE1 no hydrogen 2.693 N/A GLY 215.A N LEU 212.A O no hydrogen 2.892 N/A TYR 219.A N GLY 215.A O no hydrogen 3.128 N/A TYR 219.A OH PRO 128.A O no hydrogen 2.679 N/A LEU 220.A N ARG 216.A O no hydrogen 2.853 N/A GLU 221.A N SER 217.A O no hydrogen 3.201 N/A MET 222.A N GLN 218.A O no hydrogen 2.932 N/A LEU 223.A N TYR 219.A O no hydrogen 3.020 N/A LYS 224.A N LEU 220.A O no hydrogen 3.359 N/A SER 225.A N MET 222.A O no hydrogen 2.991 N/A SER 225.A OG.A MET 222.A O no hydrogen 2.872 N/A SER 225.A OG.B GLU 221.A O no hydrogen 2.718 N/A ILE 226.A N LEU 223.A O no hydrogen 3.500 N/A THR 230.A OG1 VAL 228.A O no hydrogen 2.886 N/A THR 231.A N LEU 122.A O no hydrogen 2.907 N/A LEU 232.A N LYS 257.A O no hydrogen 2.713 N/A VAL 233.A N LEU 124.A O no hydrogen 2.832 N/A TYR 234.A N VAL 259.A O no hydrogen 2.896 N/A TYR 234.A OH GLN 249.A OE1 no hydrogen 2.454 N/A GLY 235.A N GLU 126.A OE2 no hydrogen 2.883 N/A ASP 236.A N LEU 261.A O no hydrogen 2.818 N/A SER 237.A N GLY 263.A O no hydrogen 2.978 N/A SER 237.A OG GLY 263.A O no hydrogen 3.124 N/A SER 238.A N GLY 235.A O no hydrogen 3.011 N/A SER 238.A OG GLU 126.A OE1 no hydrogen 2.503 N/A SER 238.A OG GLU 126.A OE2 no hydrogen 3.440 N/A LEU 240.A N SER 238.A OG no hydrogen 2.985 N/A ASN 241.A ND2 LEU 127.A O no hydrogen 3.042 N/A ARG 242.A N ASP 245.A OD2 no hydrogen 2.887 N/A ARG 242.A NE ASP 245.A OD2 no hydrogen 3.038 N/A ARG 242.A NH2 ASP 245.A OD1 no hydrogen 2.779 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.787 N/A LEU 246.A N ARG 242.A O no hydrogen 2.950 N/A GLN 247.A N PRO 243.A O no hydrogen 2.938 N/A GLN 248.A N GLU 244.A O no hydrogen 2.873 N/A GLN 248.A NE2 GLN 248.A O no hydrogen 3.625 N/A GLN 248.A NE2 THR 252.A OG1 no hydrogen 3.034 N/A GLN 249.A N ASP 245.A O no hydrogen 3.051 N/A GLN 249.A NE2 LEU 127.A O no hydrogen 2.933 N/A LYS 250.A N LEU 246.A O no hydrogen 3.002 N/A MET 251.A N GLN 247.A O no hydrogen 2.875 N/A THR 252.A N GLN 249.A O no hydrogen 3.268 N/A THR 252.A OG1 GLN 248.A O no hydrogen 2.868 N/A MET 253.A N GLN 249.A O no hydrogen 2.816 N/A ALA 256.A N MET 253.A O no hydrogen 3.159 N/A LYS 257.A N THR 230.A O no hydrogen 2.977 N/A LYS 257.A NZ THR 230.A O no hydrogen 3.189 N/A VAL 259.A N LEU 232.A O no hydrogen 2.766 N/A LEU 261.A N TYR 234.A O no hydrogen 2.891 N/A GLY 263.A N ASP 236.A OD1 no hydrogen 3.183 N/A GLY 264.A N ASP 270.A OD2 no hydrogen 2.767 N/A HIS 265.A ND1 GLU 126.A OE1 no hydrogen 2.860 N/A LEU 267.A N HIS 265.A O no hydrogen 2.946 N/A HIS 268.A N HIS 268.A ND1 no hydrogen 2.858 N/A HIS 268.A NE2 GLU 36.A OE1 no hydrogen 2.838 N/A ILE 269.A N ASN 266.A O no hydrogen 3.035 N/A ASP 270.A N ASN 266.A O no hydrogen 2.866 N/A ALA 271.A N LEU 267.A O no hydrogen 2.893 N/A LEU 275.A N ALA 271.A O no hydrogen 2.877 N/A ALA 276.A N ALA 272.A O no hydrogen 2.857 N/A SER 277.A N ALA 273.A O no hydrogen 2.973 N/A SER 277.A OG ALA 273.A O no hydrogen 3.102 N/A LEU 278.A N ALA 274.A O no hydrogen 3.010 N/A ILE 279.A N LEU 275.A O no hydrogen 2.947 N/A LEU 280.A N ALA 276.A O no hydrogen 2.894 N/A THR 281.A N SER 277.A O no hydrogen 2.926 N/A THR 281.A OG1 SER 277.A O no hydrogen 2.841 N/A