Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aun_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N SER 2.A OG no hydrogen 2.996 N/A GLN 6.A N SER 2.A O no hydrogen 2.870 N/A HIS 7.A N GLU 3.A O no hydrogen 2.937 N/A ILE 8.A N GLU 4.A O no hydrogen 2.859 N/A ILE 9.A N GLN 5.A O no hydrogen 3.092 N/A ALA 10.A N GLN 6.A O no hydrogen 3.018 N/A ILE 11.A N HIS 7.A O no hydrogen 2.910 N/A LEU 12.A N ILE 8.A O no hydrogen 3.006 N/A LEU 13.A N ILE 9.A O no hydrogen 2.836 N/A ASP 14.A N ALA 10.A O no hydrogen 3.055 N/A ALA 15.A N ILE 11.A O no hydrogen 2.884 N/A HIS 16.A N LEU 12.A O no hydrogen 2.952 N/A HIS 17.A N LEU 13.A O no hydrogen 2.947 N/A HIS 17.A NE2 GLU 142.A OE1 no hydrogen 2.947 N/A LYS 18.A N ASP 14.A O no hydrogen 2.917 N/A THR 19.A N HIS 16.A O no hydrogen 2.979 N/A THR 19.A OG1 ALA 15.A O no hydrogen 2.642 N/A THR 19.A OG1 HIS 16.A O no hydrogen 3.398 N/A TYR 20.A OH TYR 24.A OH no hydrogen 2.785 N/A THR 23.A N ASP 21.A OD1 no hydrogen 2.923 N/A THR 23.A OG1 ASP 21.A OD1 no hydrogen 2.592 N/A THR 23.A OG1 ASP 21.A OD2 no hydrogen 3.111 N/A TYR 24.A N ASP 21.A O no hydrogen 3.118 N/A TYR 24.A OH TYR 20.A OH no hydrogen 2.785 N/A ALA 25.A N ASP 21.A OD2 no hydrogen 3.172 N/A PHE 27.A N TYR 24.A O no hydrogen 3.373 N/A ASP 29.A N ASP 26.A O no hydrogen 3.145 N/A PHE 30.A N PHE 27.A O no hydrogen 3.100 N/A ARG 31.A N ASP 47.A OD1 no hydrogen 2.787 N/A ARG 31.A NE ASP 47.A OD1 no hydrogen 2.918 N/A ARG 31.A NE ASP 47.A OD2 no hydrogen 3.421 N/A ARG 31.A NH1 LYS 228.A O no hydrogen 2.928 N/A ARG 31.A NH2 ASP 47.A OD2 no hydrogen 2.888 N/A ARG 31.A NH2 LYS 228.A O no hydrogen 2.832 N/A ARG 35.A NE ASP 114.A OD1 no hydrogen 2.779 N/A ARG 35.A NE ASP 114.A OD2 no hydrogen 3.264 N/A ARG 35.A NH1 ASP 107.A O no hydrogen 2.906 N/A ARG 35.A NH2 ASP 107.A O no hydrogen 2.815 N/A ARG 35.A NH2 ASP 114.A OD2 no hydrogen 3.013 N/A LEU 39.A N SER 37.A OG no hydrogen 2.806 N/A SER 40.A N PRO 38.A O no hydrogen 2.810 N/A SER 40.A OG VAL 34.A O no hydrogen 2.578 N/A MET 41.A N LYS 117.A O no hydrogen 2.914 N/A LEU 42.A N LEU 39.A O no hydrogen 3.117 N/A HIS 44.A ND1 ARG 31.A O no hydrogen 2.679 N/A HIS 44.A NE2 TYR 110.A OH no hydrogen 2.743 N/A LEU 45.A N MET 41.A O no hydrogen 2.923 N/A ALA 46.A N LEU 42.A O no hydrogen 2.775 N/A ASP 47.A N PRO 43.A O no hydrogen 3.057 N/A LEU 48.A N HIS 44.A O no hydrogen 2.946 N/A VAL 49.A N LEU 45.A O no hydrogen 2.876 N/A SER 50.A N ALA 46.A O no hydrogen 2.827 N/A SER 50.A OG THR 230.A OG1 no hydrogen 2.751 N/A TYR 51.A N ASP 47.A O no hydrogen 2.956 N/A TYR 51.A OH ASP 26.A OD2 no hydrogen 2.709 N/A SER 52.A N LEU 48.A O no hydrogen 2.941 N/A SER 52.A OG LEU 48.A O no hydrogen 2.810 N/A ILE 53.A N VAL 49.A O no hydrogen 2.846 N/A GLN 54.A N SER 50.A O no hydrogen 3.185 N/A LYS 55.A N TYR 51.A O no hydrogen 3.126 N/A VAL 56.A N SER 52.A O no hydrogen 2.896 N/A ILE 57.A N ILE 53.A O no hydrogen 2.917 N/A GLY 58.A N GLN 54.A O no hydrogen 3.098 N/A PHE 59.A N LYS 55.A O no hydrogen 2.871 N/A ALA 60.A N VAL 56.A O no hydrogen 2.841 N/A LYS 61.A N ILE 57.A O no hydrogen 3.001 N/A MET 62.A N PHE 59.A O no hydrogen 2.999 N/A ILE 63.A N ALA 60.A O no hydrogen 3.005 N/A PHE 66.A N ILE 63.A O no hydrogen 2.917 N/A ASP 68.A N GLY 65.A O no hydrogen 2.919 N/A LEU 69.A N PHE 66.A O no hydrogen 3.200 N/A THR 70.A OG1 GLN 162.A OE1 no hydrogen 3.261 N/A ASP 73.A N THR 70.A OG1 no hydrogen 3.059 N/A GLN 74.A N THR 70.A O no hydrogen 2.950 N/A ILE 75.A N SER 71.A O no hydrogen 2.938 N/A VAL 76.A N ASP 72.A O no hydrogen 2.959 N/A LEU 77.A N ASP 73.A O no hydrogen 2.944 N/A LEU 78.A N GLN 74.A O no hydrogen 3.019 N/A LYS 79.A N ILE 75.A O no hydrogen 2.883 N/A SER 80.A N VAL 76.A O no hydrogen 3.073 N/A SER 80.A OG VAL 76.A O no hydrogen 2.807 N/A SER 80.A OG LEU 77.A O no hydrogen 3.133 N/A SER 81.A N LEU 77.A O no hydrogen 2.998 N/A SER 81.A OG LEU 77.A O no hydrogen 2.730 N/A ALA 82.A N LEU 78.A O no hydrogen 2.977 N/A VAL 85.A N SER 81.A O no hydrogen 2.863 N/A ILE 86.A N ALA 82.A O no hydrogen 2.904 N/A MET 87.A N ILE 83.A O no hydrogen 2.874 N/A LEU 88.A N GLU 84.A O no hydrogen 2.889 N/A ARG 89.A N VAL 85.A O no hydrogen 2.746 N/A ARG 89.A NH2 THR 19.A O no hydrogen 2.773 N/A SER 90.A N ILE 86.A O no hydrogen 3.017 N/A SER 90.A OG MET 87.A O no hydrogen 2.768 N/A ASN 91.A N LEU 88.A O no hydrogen 3.048 N/A ASN 91.A ND2 GLN 132.A O no hydrogen 2.975 N/A ASN 91.A ND2 GLN 132.A OE1 no hydrogen 2.874 N/A GLN 92.A N ARG 89.A O no hydrogen 3.237 N/A GLN 92.A NE2 HIS 16.A NE2 no hydrogen 2.881 N/A SER 93.A N SER 90.A O no hydrogen 3.081 N/A SER 93.A OG SER 90.A O no hydrogen 3.152 N/A PHE 94.A N SER 90.A O no hydrogen 3.160 N/A THR 95.A N SER 100.A O no hydrogen 2.755 N/A SER 100.A N THR 95.A O no hydrogen 3.413 N/A SER 100.A OG ASP 98.A OD1 no hydrogen 3.108 N/A SER 100.A OG ASP 98.A OD2 no hydrogen 3.400 N/A TRP 101.A N TYR 110.A O no hydrogen 2.896 N/A TRP 101.A NE1 SER 90.A OG no hydrogen 2.974 N/A ASP 102.A N SER 93.A O no hydrogen 2.929 N/A CYS 103.A N TYR 108.A O no hydrogen 2.929 N/A CYS 103.A SG SER 93.A OG no hydrogen 3.739 N/A GLY 104.A N ASP 102.A OD1 no hydrogen 3.313 N/A SER 105.A OG ASP 107.A OD2 no hydrogen 2.471 N/A ASP 107.A N SER 105.A OG no hydrogen 3.082 N/A TYR 108.A N SER 105.A O no hydrogen 3.131 N/A LYS 109.A NZ ASP 98.A OD1 no hydrogen 3.324 N/A LYS 109.A NZ ASP 98.A OD2 no hydrogen 2.676 N/A TYR 110.A N TRP 101.A O no hydrogen 2.881 N/A TYR 110.A OH HIS 44.A NE2 no hydrogen 2.743 N/A ASP 111.A N ASP 114.A OD2 no hydrogen 3.252 N/A ASP 114.A N ASP 111.A OD2 no hydrogen 2.897 N/A VAL 115.A N ASP 111.A O no hydrogen 3.321 N/A SER 116.A N VAL 112.A O no hydrogen 3.054 N/A SER 116.A OG THR 113.A O no hydrogen 2.579 N/A LYS 117.A N THR 113.A O no hydrogen 2.952 N/A LYS 117.A N ASP 114.A O no hydrogen 3.080 N/A LYS 117.A NZ ARG 35.A O no hydrogen 2.743 N/A ALA 118.A N VAL 115.A O no hydrogen 3.081 N/A GLY 119.A N SER 116.A O no hydrogen 3.038 N/A HIS 120.A ND1 GLN 215.A OE1 no hydrogen 2.837 N/A THR 121.A N GLN 215.A OE1 no hydrogen 3.043 N/A LEU 124.A N THR 121.A O no hydrogen 3.024 N/A ILE 125.A N THR 121.A O no hydrogen 2.962 N/A GLU 126.A N LEU 122.A O no hydrogen 2.891 N/A LEU 128.A N LEU 124.A O no hydrogen 2.985 N/A ILE 129.A N ILE 125.A O no hydrogen 2.958 N/A LYS 130.A N GLU 126.A O no hydrogen 3.002 N/A LYS 130.A NZ GLU 126.A OE2 no hydrogen 3.131 N/A PHE 131.A N PRO 127.A O no hydrogen 2.876 N/A GLN 132.A N LEU 128.A O no hydrogen 2.980 N/A GLN 132.A NE2 MET 87.A O no hydrogen 2.995 N/A VAL 133.A N ILE 129.A O no hydrogen 2.897 N/A GLY 134.A N LYS 130.A O no hydrogen 2.927 N/A LEU 135.A N PHE 131.A O no hydrogen 2.910 N/A LYS 136.A N GLN 132.A O no hydrogen 2.844 N/A LYS 136.A NZ ASN 91.A O no hydrogen 2.785 N/A LYS 136.A NZ PHE 94.A O no hydrogen 2.867 N/A LYS 137.A N VAL 133.A O no hydrogen 2.917 N/A LEU 138.A N LEU 135.A O no hydrogen 3.059 N/A ASN 139.A N LYS 136.A O no hydrogen 2.953 N/A HIS 141.A N GLU 144.A OE2 no hydrogen 2.819 N/A HIS 141.A ND1 GLU 143.A OE2 no hydrogen 2.620 N/A GLU 143.A N GLU 143.A OE2 no hydrogen 2.658 N/A HIS 145.A N HIS 141.A O no hydrogen 3.007 N/A VAL 146.A N GLU 142.A O no hydrogen 2.955 N/A LEU 147.A N GLU 143.A O no hydrogen 3.102 N/A LEU 148.A N GLU 144.A O no hydrogen 2.926 N/A MET 149.A N HIS 145.A O no hydrogen 3.051 N/A ALA 150.A N VAL 146.A O no hydrogen 3.005 N/A ILE 151.A N LEU 147.A O no hydrogen 2.894 N/A CYS 152.A N LEU 148.A O no hydrogen 2.965 N/A CYS 152.A SG GLU 84.A OE1 no hydrogen 3.255 N/A ILE 153.A N MET 149.A O no hydrogen 3.177 N/A VAL 154.A N.A ALA 150.A O no hydrogen 3.035 N/A VAL 154.A N.B ALA 150.A O no hydrogen 3.078 N/A SER 155.A OG ILE 151.A O no hydrogen 3.290 N/A SER 155.A OG CYS 152.A O no hydrogen 2.750 N/A ARG 158.A NH1 GLU 84.A OE2 no hydrogen 2.822 N/A ARG 158.A NH2 GLU 84.A OE1 no hydrogen 2.896 N/A ARG 158.A NH2 CYS 152.A O no hydrogen 3.110 N/A VAL 161.A N ARG 158.A O no hydrogen 3.330 N/A GLN 162.A N ASP 73.A OD2 no hydrogen 2.753 N/A GLN 162.A NE2 ASP 72.A OD2 no hydrogen 3.170 N/A ASP 163.A N ASP 73.A OD1 no hydrogen 2.951 N/A LEU 166.A N ASP 163.A OD2 no hydrogen 3.102 N/A VAL 167.A N ASP 163.A O no hydrogen 3.073 N/A GLU 168.A N ALA 164.A O no hydrogen 2.814 N/A ALA 169.A N LYS 165.A O no hydrogen 3.085 N/A ILE 170.A N LEU 166.A O no hydrogen 3.047 N/A GLN 171.A N VAL 167.A O no hydrogen 2.867 N/A GLN 171.A NE2 ILE 151.A O no hydrogen 2.917 N/A ASP 172.A N GLU 168.A O no hydrogen 2.830 N/A ARG 173.A N ALA 169.A O no hydrogen 3.136 N/A ARG 173.A NH1 GLU 4.A OE1 no hydrogen 3.375 N/A LEU 174.A N ILE 170.A O no hydrogen 3.129 N/A SER 175.A N GLN 171.A O no hydrogen 2.808 N/A SER 175.A OG GLN 171.A O no hydrogen 3.259 N/A SER 175.A OG TYR 195.A OH no hydrogen 3.427 N/A ASN 176.A N ASP 172.A O no hydrogen 2.861 N/A ASN 176.A ND2 ASP 172.A O no hydrogen 2.972 N/A THR 177.A N ARG 173.A O no hydrogen 3.072 N/A THR 177.A OG1 ARG 173.A O no hydrogen 2.893 N/A LEU 178.A N LEU 174.A O no hydrogen 2.932 N/A GLN 179.A N SER 175.A O no hydrogen 2.889 N/A THR 180.A N ASN 176.A O no hydrogen 3.017 N/A THR 180.A OG1 ASN 176.A O no hydrogen 2.895 N/A TYR 181.A N THR 177.A O no hydrogen 2.910 N/A ILE 182.A N LEU 178.A O no hydrogen 2.921 N/A ARG 183.A N GLN 179.A O no hydrogen 2.994 N/A CYS 184.A N THR 180.A O no hydrogen 2.812 N/A CYS 184.A SG THR 180.A O no hydrogen 3.291 N/A ARG 185.A N TYR 181.A O no hydrogen 2.806 N/A HIS 186.A N ILE 182.A O no hydrogen 3.005 N/A HIS 186.A ND1 GLU 144.A OE1 no hydrogen 2.626 N/A SER 191.A N PRO 187.A O no hydrogen 3.101 N/A HIS 192.A N PRO 189.A O no hydrogen 3.024 N/A LEU 194.A N SER 191.A O no hydrogen 3.126 N/A LYS 197.A N GLN 193.A O no hydrogen 2.936 N/A LYS 197.A NZ HIS 192.A O no hydrogen 3.506 N/A MET 198.A N LEU 194.A O no hydrogen 2.842 N/A ILE 199.A N TYR 195.A O no hydrogen 2.891 N/A GLN 200.A N ALA 196.A O no hydrogen 2.893 N/A LYS 201.A N LYS 197.A O no hydrogen 3.039 N/A LYS 201.A NZ ASP 204.A OD1 no hydrogen 3.381 N/A LEU 202.A N MET 198.A O no hydrogen 3.177 N/A ALA 203.A N ILE 199.A O no hydrogen 3.099 N/A ASP 204.A N GLN 200.A O no hydrogen 2.818 N/A LEU 205.A N LYS 201.A O no hydrogen 2.896 N/A ARG 206.A N LEU 202.A O no hydrogen 3.200 N/A ARG 206.A NH1 ASP 157.A OD1 no hydrogen 3.208 N/A ARG 206.A NH2 ASP 157.A OD1 no hydrogen 3.254 N/A ARG 206.A NH2 ASP 157.A OD2 no hydrogen 2.621 N/A SER 207.A N ALA 203.A O no hydrogen 3.362 N/A LEU 208.A N ASP 204.A O no hydrogen 3.041 N/A ASN 209.A N LEU 205.A O no hydrogen 2.786 N/A ASN 209.A ND2 SER 80.A O no hydrogen 2.800 N/A ASN 209.A ND2 GLU 84.A OE2 no hydrogen 2.796 N/A GLU 210.A N ARG 206.A O no hydrogen 2.974 N/A GLU 211.A N SER 207.A O no hydrogen 3.070 N/A HIS 212.A N LEU 208.A O no hydrogen 2.792 N/A SER 213.A N.A ASN 209.A O no hydrogen 2.805 N/A SER 213.A N.B ASN 209.A O no hydrogen 2.803 N/A SER 213.A OG.B ASN 209.A O no hydrogen 2.862 N/A SER 213.A OG.B ASN 209.A OD1 no hydrogen 3.116 N/A LYS 214.A N GLU 210.A O no hydrogen 3.078 N/A GLN 215.A N GLU 211.A O no hydrogen 3.039 N/A GLN 215.A NE2 GLU 211.A OE1 no hydrogen 2.815 N/A TYR 216.A N HIS 212.A O no hydrogen 2.757 N/A ARG 217.A N SER 213.A O.A no hydrogen 2.801 N/A ARG 217.A N SER 213.A O.B no hydrogen 2.898 N/A SER 218.A N LYS 214.A O no hydrogen 3.228 N/A LEU 219.A N GLN 215.A O no hydrogen 2.935 N/A SER 220.A N TYR 216.A O no hydrogen 2.849 N/A SER 220.A OG TYR 216.A O no hydrogen 2.804 N/A PHE 221.A N SER 218.A O no hydrogen 3.317 N/A GLN 222.A N LEU 219.A O no hydrogen 3.298 N/A ASN 225.A N GLN 222.A O no hydrogen 2.875 N/A ASN 225.A ND2 LEU 219.A O no hydrogen 2.991 N/A SER 226.A N GLN 222.A O no hydrogen 2.903 N/A MET 227.A N PRO 223.A O no hydrogen 2.857 N/A LYS 228.A N ASN 225.A O no hydrogen 2.933 N/A LEU 229.A N SER 226.A O no hydrogen 2.949 N/A THR 230.A OG1 SER 50.A OG no hydrogen 2.751 N/A VAL 233.A N THR 230.A OG1 no hydrogen 3.098 N/A LEU 234.A N THR 230.A O no hydrogen 2.944 N/A GLU 235.A N PRO 231.A O no hydrogen 2.965 N/A VAL 236.A N LEU 232.A O no hydrogen 2.870 N/A PHE 237.A N VAL 233.A O no hydrogen 2.901 N/A