Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 9.A N GLU 233.A O no hydrogen 2.881 N/A TYR 9.A OH ASP 153.A OD1 no hydrogen 2.561 N/A LYS 10.A NZ ASP 12.A OD2 no hydrogen 2.920 N/A TYR 13.A N SER 84.A OG no hydrogen 3.254 N/A GLU 15.A N LYS 82.A O no hydrogen 3.005 N/A CYS 19.A N GLU 56.A O no hydrogen 2.934 N/A ILE 20.A N VAL 87.A O no hydrogen 2.839 N/A ILE 21.A N ARG 58.A O no hydrogen 2.874 N/A ILE 22.A N VAL 89.A O no hydrogen 2.829 N/A ASN 23.A N LYS 60.A O no hydrogen 2.789 N/A ASN 23.A ND2 ASP 40.A OD1 no hydrogen 2.992 N/A ASN 23.A ND2 ASN 61.A OD1 no hydrogen 3.064 N/A ASN 24.A N LEU 91.A O no hydrogen 2.949 N/A ASN 24.A ND2 LEU 63.A O no hydrogen 3.180 N/A ASN 24.A ND2 PHE 100.A O no hydrogen 3.006 N/A LYS 25.A N ASP 62.A OD1 no hydrogen 2.848 N/A LYS 25.A NZ ASP 40.A OD2 no hydrogen 3.315 N/A ASN 26.A N ASP 62.A OD1 no hydrogen 2.999 N/A ASN 26.A ND2 ASP 62.A OD2 no hydrogen 2.911 N/A HIS 28.A N THR 102.A O no hydrogen 2.817 N/A THR 31.A N HIS 28.A O no hydrogen 3.024 N/A THR 31.A OG1 HIS 28.A O no hydrogen 2.715 N/A GLY 32.A N LYS 29.A O no hydrogen 3.089 N/A MET 33.A N THR 31.A OG1 no hydrogen 3.167 N/A ARG 36.A N LYS 25.A O no hydrogen 2.893 N/A ARG 36.A NH1 ASN 24.A O no hydrogen 2.931 N/A ARG 36.A NH1 THR 39.A OG1 no hydrogen 2.940 N/A THR 39.A N ARG 36.A O no hydrogen 3.071 N/A THR 39.A OG1 ASN 23.A OD1 no hydrogen 2.626 N/A ASP 42.A N GLY 38.A O no hydrogen 3.323 N/A ALA 43.A N THR 39.A O no hydrogen 2.839 N/A ALA 44.A N ASP 40.A O no hydrogen 2.960 N/A ASN 45.A N VAL 41.A O no hydrogen 3.012 N/A ASN 45.A ND2 GLN 178.A OE1.B no hydrogen 2.894 N/A LEU 46.A N ASP 42.A O no hydrogen 2.955 N/A ARG 47.A N ALA 43.A O no hydrogen 2.998 N/A ARG 47.A NH1 ASN 59.A OD1 no hydrogen 2.717 N/A GLU 48.A N ALA 44.A O no hydrogen 3.115 N/A THR 49.A N ASN 45.A O no hydrogen 2.899 N/A THR 49.A OG1 ASN 45.A O no hydrogen 2.751 N/A THR 49.A OG1 ASN 45.A OD1 no hydrogen 3.484 N/A PHE 50.A N LEU 46.A O no hydrogen 2.932 N/A ARG 51.A N ARG 47.A O no hydrogen 2.923 N/A ARG 51.A NE GLU 48.A OE2 no hydrogen 2.921 N/A ARG 51.A NH2 GLU 48.A OE1 no hydrogen 2.846 N/A ARG 51.A NH2 GLU 48.A OE2 no hydrogen 3.416 N/A ASN 52.A N GLU 48.A O no hydrogen 3.034 N/A ASN 52.A ND2 GLU 48.A OE1 no hydrogen 3.115 N/A LEU 53.A N PHE 50.A O no hydrogen 3.108 N/A LYS 54.A N ARG 51.A O no hydrogen 2.898 N/A TYR 55.A N PHE 50.A O no hydrogen 2.967 N/A TYR 55.A OH SER 85.A OG no hydrogen 2.692 N/A GLU 56.A N GLY 17.A O no hydrogen 2.945 N/A ARG 58.A N CYS 19.A O no hydrogen 2.887 N/A ARG 58.A NH1 GLU 78.A OE2 no hydrogen 2.860 N/A ARG 58.A NH2 GLU 56.A OE2 no hydrogen 3.461 N/A ARG 58.A NH2 GLU 78.A OE1 no hydrogen 3.234 N/A ARG 58.A NH2 GLU 78.A OE2 no hydrogen 3.498 N/A ASN 59.A ND2 ALA 43.A O no hydrogen 3.610 N/A LYS 60.A N ILE 21.A O no hydrogen 2.818 N/A ASP 62.A N ASN 23.A O no hydrogen 2.974 N/A LEU 63.A N ASN 24.A OD1 no hydrogen 2.829 N/A THR 64.A N GLU 67.A OE1 no hydrogen 2.894 N/A THR 64.A OG1 GLU 66.A OE1 no hydrogen 3.535 N/A ARG 65.A N ASN 103.A OD1 no hydrogen 2.818 N/A ARG 65.A NE.A GLU 66.A OE2 no hydrogen 2.985 N/A ARG 65.A NE.B PRO 105.A O no hydrogen 2.864 N/A GLU 66.A N GLU 66.A OE1 no hydrogen 2.903 N/A GLU 67.A N THR 64.A OG1 no hydrogen 3.027 N/A ILE 68.A N THR 64.A O no hydrogen 2.883 N/A VAL 69.A N ARG 65.A O no hydrogen 3.105 N/A GLU 70.A N GLU 66.A O no hydrogen 3.007 N/A LEU 71.A N GLU 67.A O no hydrogen 2.906 N/A MET 72.A N ILE 68.A O no hydrogen 3.022 N/A ARG 73.A N VAL 69.A O no hydrogen 2.872 N/A ARG 73.A NE GLU 70.A OE2.A no hydrogen 3.060 N/A ARG 73.A NH2 GLU 70.A OE1.A no hydrogen 3.153 N/A ASP 74.A N GLU 70.A O no hydrogen 2.872 N/A VAL 75.A N LEU 71.A O no hydrogen 2.872 N/A SER 76.A N MET 72.A O no hydrogen 2.931 N/A SER 76.A OG MET 72.A O no hydrogen 3.438 N/A SER 76.A OG ARG 73.A O no hydrogen 2.715 N/A LYS 77.A N ASP 74.A O no hydrogen 3.076 N/A GLU 78.A N VAL 75.A O no hydrogen 3.139 N/A HIS 80.A N SER 122.A OG no hydrogen 2.868 N/A HIS 80.A NE2 VAL 75.A O no hydrogen 2.792 N/A SER 81.A N ASP 79.A OD1 no hydrogen 2.968 N/A SER 81.A OG.A ASP 79.A OD1 no hydrogen 2.574 N/A SER 81.A OG.B ASP 79.A OD1 no hydrogen 2.971 N/A ARG 83.A N HIS 80.A O no hydrogen 2.852 N/A ARG 83.A NE GLU 15.A OE2 no hydrogen 3.291 N/A ARG 83.A NH1 GLU 78.A OE1 no hydrogen 3.085 N/A ARG 83.A NH1 HIS 80.A ND1 no hydrogen 3.176 N/A ARG 83.A NH2 GLU 78.A OE1 no hydrogen 3.419 N/A SER 84.A N GLU 15.A O no hydrogen 2.843 N/A SER 84.A OG GLU 15.A O no hydrogen 3.264 N/A SER 85.A N MET 16.A O no hydrogen 2.910 N/A SER 85.A OG MET 16.A O no hydrogen 2.838 N/A SER 85.A OG TYR 55.A OH no hydrogen 2.692 N/A PHE 86.A N PRO 127.A O no hydrogen 3.020 N/A VAL 87.A N LEU 18.A O no hydrogen 2.960 N/A CYS 88.A N LEU 129.A O no hydrogen 2.831 N/A CYS 88.A SG ILE 20.A O no hydrogen 3.978 N/A VAL 89.A N ILE 20.A O no hydrogen 2.659 N/A LEU 90.A N ILE 131.A O no hydrogen 2.807 N/A LEU 91.A N ILE 22.A O no hydrogen 2.886 N/A SER 92.A N GLN 133.A O no hydrogen 3.091 N/A SER 92.A OG HIS 93.A O no hydrogen 3.517 N/A SER 92.A OG PHE 100.A O no hydrogen 2.667 N/A HIS 93.A NE2 THR 34.A O no hydrogen 2.728 N/A GLU 95.A N ILE 98.A O no hydrogen 3.211 N/A ILE 98.A N GLU 95.A O no hydrogen 2.936 N/A ILE 99.A N VAL 106.A O no hydrogen 2.921 N/A PHE 100.A N HIS 93.A O no hydrogen 2.976 N/A GLY 101.A N GLY 104.A O no hydrogen 2.679 N/A THR 102.A N LEU 63.A O no hydrogen 2.918 N/A ASN 103.A ND2 GLU 66.A OE1 no hydrogen 2.930 N/A GLY 104.A N GLY 101.A O no hydrogen 3.392 N/A VAL 106.A N ILE 99.A O no hydrogen 2.649 N/A LEU 108.A N GLY 97.A O no hydrogen 2.903 N/A LYS 110.A N ASP 107.A O no hydrogen 3.073 N/A ILE 111.A N ASP 107.A O no hydrogen 3.394 N/A THR 112.A N LEU 108.A O no hydrogen 2.994 N/A THR 112.A OG1 LEU 108.A O no hydrogen 3.252 N/A THR 112.A OG1 ALA 109.A O no hydrogen 3.375 N/A ASN 113.A N ALA 109.A O no hydrogen 2.909 N/A PHE 115.A N THR 112.A O no hydrogen 2.953 N/A ARG 116.A N ASN 113.A O no hydrogen 3.099 N/A ARG 116.A NE ASP 118.A OD1 no hydrogen 3.114 N/A ARG 116.A NH2 ASP 118.A OD1 no hydrogen 3.496 N/A ARG 116.A NH2 ASP 118.A OD2 no hydrogen 3.012 N/A GLY 117.A N VAL 150.A O no hydrogen 3.171 N/A ARG 119.A N ARG 116.A O no hydrogen 2.779 N/A CYS 120.A N ARG 116.A O no hydrogen 2.927 N/A CYS 120.A SG SER 76.A O no hydrogen 3.394 N/A SER 122.A OG GLU 78.A O no hydrogen 3.554 N/A LEU 123.A N CYS 120.A O no hydrogen 3.067 N/A THR 124.A N ARG 121.A O no hydrogen 3.195 N/A THR 124.A OG1 GLY 117.A O no hydrogen 2.649 N/A THR 124.A OG1 CYS 120.A O no hydrogen 3.513 N/A THR 124.A OG1 ARG 121.A O no hydrogen 3.143 N/A LYS 126.A N LEU 123.A O no hydrogen 2.946 N/A LYS 126.A NZ HIS 80.A O no hydrogen 2.992 N/A LYS 126.A NZ SER 81.A O no hydrogen 3.176 N/A LYS 126.A NZ ARG 83.A O no hydrogen 2.782 N/A LYS 126.A NZ SER 122.A O no hydrogen 3.004 N/A LYS 128.A N ASP 153.A O no hydrogen 2.834 N/A LYS 128.A NZ LEU 123.A O no hydrogen 2.768 N/A LYS 128.A NZ LYS 126.A O no hydrogen 2.735 N/A LEU 129.A N PHE 86.A O no hydrogen 2.837 N/A PHE 130.A N LEU 155.A O no hydrogen 2.793 N/A ILE 131.A N CYS 88.A O no hydrogen 2.857 N/A ILE 132.A N ALA 157.A O no hydrogen 2.921 N/A GLN 133.A N LEU 90.A O no hydrogen 2.865 N/A GLN 133.A NE2 SER 166.A OG no hydrogen 3.039 N/A CYS 135.A SG SER 166.A O no hydrogen 3.824 N/A ARG 136.A N TYR 164.A O no hydrogen 2.889 N/A ARG 136.A NH1 THR 160.A O no hydrogen 3.089 N/A ARG 136.A NH2 GLU 96.A OE2 no hydrogen 2.898 N/A GLU 139.A N GLY 163.A O no hydrogen 2.944 N/A CYS 142.A SG.A GLY 143.A O no hydrogen 3.409 N/A GLY 143.A N ASP 141.A OD1 no hydrogen 2.924 N/A ALA 152.A N PRO 149.A O no hydrogen 3.114 N/A ASP 153.A N MET 229.A O no hydrogen 2.843 N/A LEU 155.A N LYS 128.A O no hydrogen 2.878 N/A TYR 156.A N VAL 227.A O no hydrogen 2.853 N/A ALA 157.A N PHE 130.A O no hydrogen 2.753 N/A TYR 158.A N CYS 225.A O no hydrogen 2.919 N/A SER 159.A N ILE 132.A O no hydrogen 2.977 N/A SER 159.A OG ILE 132.A O no hydrogen 3.326 N/A SER 159.A OG SER 166.A OG no hydrogen 2.807 N/A THR 160.A OG1 TYR 165.A O no hydrogen 2.819 N/A GLY 163.A N GLU 96.A OE1 no hydrogen 3.086 N/A TYR 164.A N ALA 161.A O no hydrogen 3.212 N/A TYR 165.A N GLU 139.A O no hydrogen 2.883 N/A SER 166.A OG SER 159.A OG no hydrogen 2.807 N/A TRP 167.A N GLN 222.A OE1 no hydrogen 2.716 N/A ARG 168.A NH2 SER 37.A O no hydrogen 2.781 N/A ASN 169.A N GLY 173.A O no hydrogen 2.896 N/A LYS 171.A N ASN 169.A OD1 no hydrogen 2.943 N/A ASP 172.A N ASN 169.A OD1 no hydrogen 2.886 N/A GLY 173.A N ASN 169.A O no hydrogen 2.866 N/A SER 174.A N ASP 42.A OD1 no hydrogen 2.904 N/A SER 174.A N ASP 42.A OD2 no hydrogen 3.219 N/A SER 174.A OG ASP 42.A OD2 no hydrogen 2.615 N/A TRP 175.A N TRP 167.A O no hydrogen 3.328 N/A ILE 177.A N SER 174.A OG no hydrogen 3.167 N/A GLN 178.A N SER 174.A O no hydrogen 2.987 N/A GLN 178.A NE2.A GLY 173.A O no hydrogen 2.977 N/A GLN 178.A NE2.A SER 174.A O no hydrogen 3.424 N/A GLN 178.A NE2.B ASP 42.A OD1 no hydrogen 2.831 N/A SER 179.A N TRP 175.A O no hydrogen 3.074 N/A SER 179.A OG TRP 175.A O no hydrogen 2.818 N/A LEU 180.A N PHE 176.A O no hydrogen 2.794 N/A CYS 181.A N ILE 177.A O no hydrogen 2.959 N/A CYS 181.A SG THR 49.A OG1 no hydrogen 3.423 N/A CYS 181.A SG ILE 177.A O no hydrogen 3.456 N/A ALA 182.A N GLN 178.A O no hydrogen 3.149 N/A MET 183.A N SER 179.A O no hydrogen 2.978 N/A LEU 184.A N LEU 180.A O no hydrogen 2.921 N/A LYS 185.A N CYS 181.A O no hydrogen 2.873 N/A GLN 186.A N ALA 182.A O no hydrogen 3.053 N/A TYR 187.A N MET 183.A O no hydrogen 2.821 N/A ALA 188.A N LEU 184.A O no hydrogen 2.959 N/A LYS 190.A N TYR 187.A O no hydrogen 2.901 N/A LYS 190.A NZ GLN 186.A O no hydrogen 3.098 N/A LYS 190.A NZ ASP 189.A OD2 no hydrogen 2.852 N/A LEU 191.A N TYR 187.A O no hydrogen 2.791 N/A PHE 193.A N LEU 234.A O no hydrogen 2.886 N/A MET 194.A N GLU 192.A OE1 no hydrogen 2.835 N/A ILE 196.A N GLU 192.A O no hydrogen 3.012 N/A LEU 197.A N PHE 193.A O no hydrogen 2.880 N/A THR 198.A N MET 194.A O no hydrogen 2.913 N/A THR 198.A OG1 MET 194.A O no hydrogen 2.751 N/A ARG 199.A N HIS 195.A O no hydrogen 3.122 N/A VAL 200.A N ILE 196.A O no hydrogen 3.004 N/A ASN 201.A N LEU 197.A O no hydrogen 2.840 N/A ARG 202.A N THR 198.A O no hydrogen 3.033 N/A LYS 203.A N ARG 199.A O no hydrogen 2.907 N/A LYS 203.A NZ.A SER 179.A OG no hydrogen 3.045 N/A LYS 203.A NZ.B GLU 207.A OE1 no hydrogen 2.802 N/A VAL 204.A N VAL 200.A O no hydrogen 2.957 N/A ALA 205.A N ASN 201.A O no hydrogen 2.951 N/A THR 206.A N ARG 202.A O no hydrogen 2.867 N/A THR 206.A OG1 ARG 202.A O no hydrogen 2.768 N/A GLU 207.A N LYS 203.A O no hydrogen 2.917 N/A SER 210.A N LYS 220.A O no hydrogen 2.897 N/A SER 210.A OG PHE 217.A O no hydrogen 2.715 N/A SER 212.A N HIS 218.A ND1 no hydrogen 3.154 N/A SER 212.A OG ASP 214.A O no hydrogen 3.353 N/A ASP 214.A N SER 212.A OG no hydrogen 2.879 N/A THR 216.A N ASP 214.A OD1 no hydrogen 3.025 N/A THR 216.A OG1 ASP 214.A OD1 no hydrogen 3.506 N/A PHE 217.A N ASP 214.A O no hydrogen 2.892 N/A HIS 218.A N ALA 215.A O no hydrogen 3.376 N/A ALA 219.A N SER 210.A O no hydrogen 2.915 N/A LYS 220.A N SER 210.A OG no hydrogen 2.881 N/A LYS 221.A N ASP 141.A O no hydrogen 2.793 N/A LYS 221.A NZ ALA 205.A O no hydrogen 2.748 N/A LYS 221.A NZ PHE 208.A O no hydrogen 2.883 N/A GLN 222.A NE2 SER 159.A O no hydrogen 2.802 N/A CYS 225.A N TYR 158.A O no hydrogen 2.900 N/A VAL 227.A N TYR 156.A O no hydrogen 2.854 N/A MET 229.A N PHE 154.A O no hydrogen 2.858 N/A LEU 230.A N SER 228.A OG no hydrogen 3.095 N/A THR 231.A N TYR 9.A OH no hydrogen 2.896 N/A THR 231.A OG1 ASP 153.A OD1 no hydrogen 2.773 N/A GLU 233.A N ASN 7.A O no hydrogen 2.846 N/A LEU 234.A N GLU 192.A OE2 no hydrogen 2.801 N/A TYR 235.A OH GLU 233.A OE1 no hydrogen 2.504 N/A