Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qux_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASN 23.A O no hydrogen 2.861 N/A THR 4.A OG1 ASN 23.A O no hydrogen 2.779 N/A GLN 5.A NE2 TYR 88.A O no hydrogen 2.757 N/A SER 6.A N SER 21.A O no hydrogen 2.959 N/A LYS 10.A N ARG 106.A O no hydrogen 2.837 N/A ALA 12.A N LEU 108.A O no hydrogen 2.892 N/A THR 14.A N LEU 110.A O no hydrogen 2.984 N/A THR 14.A OG1 LEU 110.A O no hydrogen 2.989 N/A GLY 15.A N ALA 80.A O no hydrogen 2.776 N/A GLY 16.A N VAL 13.A O no hydrogen 3.249 N/A LYS 17.A NZ GLU 78.A OE1 no hydrogen 3.228 N/A VAL 18.A N LEU 77.A O no hydrogen 2.966 N/A LEU 20.A N LEU 75.A O no hydrogen 2.814 N/A SER 21.A N SER 6.A O no hydrogen 2.838 N/A CYS 22.A SG THR 4.A O no hydrogen 3.621 N/A ASN 23.A N THR 4.A O no hydrogen 2.727 N/A ASN 23.A ND2 ASN 72.A OD1 no hydrogen 2.822 N/A GLN 24.A N GLU 71.A O no hydrogen 2.985 N/A GLN 24.A NE2 HIS 28.A O no hydrogen 2.904 N/A ASN 26.A N GLN 24.A OE1 no hydrogen 3.095 N/A ASN 26.A ND2 ALA 2.A O no hydrogen 3.245 N/A HIS 28.A N GLN 24.A OE1 no hydrogen 3.253 N/A HIS 28.A ND1 SER 92.A OG no hydrogen 2.741 N/A ASN 30.A N GLY 93.A O no hydrogen 3.163 N/A ASN 30.A ND2 GLY 93.A O no hydrogen 2.991 N/A ASN 30.A ND2 ASP 94.A O no hydrogen 2.880 N/A MET 31.A N SER 48.A O no hydrogen 3.058 N/A TYR 32.A N ALA 91.A O no hydrogen 2.821 N/A TRP 33.A N HIS 46.A O no hydrogen 3.012 N/A TRP 33.A NE1 PHE 73.A O no hydrogen 3.236 N/A TYR 34.A N PHE 89.A O no hydrogen 2.702 N/A TYR 34.A OH GLN 99.A OE1 no hydrogen 2.760 N/A ARG 35.A N ARG 43.A O no hydrogen 3.053 N/A ARG 35.A NE ASP 37.A OD2 no hydrogen 2.616 N/A ARG 35.A NE SER 86.A OG no hydrogen 3.279 N/A ARG 35.A NH1 SER 83.A O no hydrogen 2.937 N/A ARG 35.A NH2 ASP 37.A OD1 no hydrogen 2.801 N/A ARG 35.A NH2 ASP 37.A OD2 no hydrogen 3.008 N/A ARG 35.A NH2 SER 83.A O no hydrogen 2.997 N/A GLN 36.A N VAL 87.A O no hydrogen 2.852 N/A HIS 40.A N ASP 37.A O no hydrogen 2.969 N/A ARG 43.A N ARG 35.A O no hydrogen 3.052 N/A ARG 43.A NH2 ASP 37.A OD2 no hydrogen 3.145 N/A ILE 45.A N TRP 33.A O no hydrogen 2.800 N/A HIS 46.A NE2 TYR 63.A O no hydrogen 2.666 N/A TYR 47.A N GLU 55.A O no hydrogen 2.837 N/A SER 48.A N MET 31.A O no hydrogen 2.828 N/A SER 48.A OG SER 53.A O no hydrogen 2.673 N/A TYR 49.A N SER 53.A OG no hydrogen 3.136 N/A GLY 50.A N SER 48.A OG no hydrogen 3.164 N/A GLY 52.A N ARG 67.A O no hydrogen 2.817 N/A SER 53.A N GLY 50.A O no hydrogen 3.039 N/A GLU 55.A N TYR 47.A O no hydrogen 2.735 N/A GLY 57.A N ILE 45.A O no hydrogen 2.715 N/A ASP 58.A N LEU 44.A O no hydrogen 2.987 N/A ILE 59.A N LEU 44.A O no hydrogen 3.182 N/A TYR 63.A N PRO 60.A O no hydrogen 3.011 N/A TYR 63.A OH TYR 88.A OH no hydrogen 2.706 N/A LYS 64.A N ILE 76.A O no hydrogen 2.863 N/A SER 66.A N SER 74.A O no hydrogen 3.020 N/A ARG 67.A NE SER 69.A O no hydrogen 3.210 N/A ARG 67.A NH1 ASN 29.A O no hydrogen 2.710 N/A ARG 67.A NH1 SER 48.A OG no hydrogen 3.090 N/A ARG 67.A NH2 HIS 28.A O no hydrogen 3.292 N/A ARG 67.A NH2 ASN 29.A O no hydrogen 3.253 N/A ARG 67.A NH2 GLN 70.A O no hydrogen 2.524 N/A GLN 70.A NE2 ASN 27.A O no hydrogen 3.135 N/A GLN 70.A NE2 ASN 27.A OD1 no hydrogen 3.177 N/A GLN 70.A NE2 ASN 29.A OD1 no hydrogen 2.915 N/A ASN 72.A N SER 69.A OG no hydrogen 3.144 N/A PHE 73.A N CYS 22.A O no hydrogen 2.931 N/A SER 74.A N SER 66.A O no hydrogen 2.886 N/A SER 74.A OG LEU 20.A O no hydrogen 3.371 N/A LEU 75.A N LEU 20.A O no hydrogen 2.807 N/A ILE 76.A N LYS 64.A O no hydrogen 2.769 N/A LEU 77.A N VAL 18.A O no hydrogen 2.791 N/A ALA 80.A N GLY 16.A O no hydrogen 3.181 N/A THR 81.A N GLN 84.A OE1 no hydrogen 3.074 N/A THR 81.A OG1 SER 83.A OG no hydrogen 2.982 N/A SER 83.A OG THR 81.A OG1 no hydrogen 2.982 N/A GLN 84.A N THR 81.A O no hydrogen 2.890 N/A GLN 84.A NE2 GLY 62.A O no hydrogen 3.094 N/A THR 85.A N PRO 82.A O no hydrogen 3.009 N/A THR 85.A OG1 PRO 82.A O no hydrogen 2.795 N/A SER 86.A N LEU 107.A O no hydrogen 3.257 N/A SER 86.A OG GLN 36.A O no hydrogen 2.939 N/A SER 86.A OG ASP 37.A OD1 no hydrogen 2.714 N/A SER 86.A OG ASP 37.A OD2 no hydrogen 3.173 N/A VAL 87.A N GLN 36.A O no hydrogen 3.497 N/A TYR 88.A N THR 105.A O no hydrogen 2.717 N/A TYR 88.A OH TYR 63.A OH no hydrogen 2.706 N/A TYR 88.A OH GLN 84.A O no hydrogen 2.463 N/A PHE 89.A N TYR 34.A O no hydrogen 2.829 N/A CYS 90.A SG ALA 91.A O no hydrogen 3.900 N/A ALA 91.A N TYR 32.A O no hydrogen 2.733 N/A SER 92.A N TYR 100.A O no hydrogen 2.906 N/A SER 92.A OG HIS 28.A ND1 no hydrogen 2.741 N/A GLY 93.A N ASN 30.A O no hydrogen 2.841 N/A GLU 95.A N GLU 95.A OE2 no hydrogen 2.693 N/A GLY 96.A N ASP 94.A OD1 no hydrogen 2.762 N/A TYR 100.A N SER 92.A O no hydrogen 2.948 N/A GLY 102.A N CYS 90.A O no hydrogen 2.801 N/A GLY 104.A N GLN 5.A OE1 no hydrogen 2.766 N/A THR 105.A N TYR 88.A O no hydrogen 2.733 N/A THR 105.A OG1 PRO 7.A O no hydrogen 2.640 N/A ARG 106.A N ARG 8.A O no hydrogen 3.116 N/A LEU 107.A N SER 86.A O no hydrogen 2.991 N/A LEU 108.A N LYS 10.A O no hydrogen 2.905 N/A VAL 109.A N THR 85.A OG1 no hydrogen 3.285 N/A LEU 110.A N ALA 12.A O no hydrogen 2.880 N/A LEU 113.A N ASP 112.A OD2 no hydrogen 2.745 N/A VAL 116.A N LEU 113.A O no hydrogen 3.107 N/A THR 117.A N TYR 147.A O no hydrogen 2.969 N/A THR 117.A OG1 ASN 115.A O no hydrogen 2.936 N/A LYS 120.A N THR 144.A O no hydrogen 2.975 N/A SER 122.A N LEU 142.A O no hydrogen 3.046 N/A PHE 124.A N VAL 140.A O no hydrogen 2.599 N/A GLU 130.A N SER 127.A OG no hydrogen 3.116 N/A ILE 131.A N SER 127.A O no hydrogen 3.008 N/A SER 132.A N LYS 128.A O no hydrogen 3.259 N/A SER 132.A OG LYS 128.A O no hydrogen 3.150 N/A SER 132.A OG ALA 129.A O no hydrogen 3.306 N/A HIS 133.A N GLU 130.A O no hydrogen 2.794 N/A THR 134.A N GLU 130.A O no hydrogen 2.998 N/A THR 134.A OG1 GLU 130.A O no hydrogen 2.923 N/A GLN 135.A N ILE 131.A O no hydrogen 2.890 N/A LYS 136.A N THR 134.A OG1 no hydrogen 2.790 N/A ALA 137.A N VAL 192.A O no hydrogen 2.756 N/A THR 138.A N GLU 130.A OE1 no hydrogen 2.923 N/A THR 138.A OG1 GLU 130.A OE2 no hydrogen 2.745 N/A LEU 139.A N LEU 190.A O no hydrogen 2.766 N/A VAL 140.A N PHE 124.A O no hydrogen 3.123 N/A CYS 141.A N SER 188.A O no hydrogen 2.919 N/A CYS 141.A SG SER 122.A O no hydrogen 3.806 N/A LEU 142.A N SER 122.A O no hydrogen 2.924 N/A ALA 143.A N LEU 186.A O no hydrogen 2.969 N/A THR 144.A N LYS 120.A O no hydrogen 3.013 N/A THR 144.A OG1 LYS 120.A O no hydrogen 3.404 N/A GLY 145.A N TYR 184.A O no hydrogen 2.936 N/A PHE 146.A N TYR 184.A O no hydrogen 3.331 N/A TYR 147.A N THR 117.A O no hydrogen 2.975 N/A HIS 150.A N PRO 148.A O no hydrogen 2.697 N/A GLU 152.A N GLN 209.A O no hydrogen 3.003 N/A SER 154.A N GLN 207.A O no hydrogen 2.881 N/A SER 154.A OG GLN 207.A O no hydrogen 3.425 N/A TRP 155.A NE1 SER 188.A OG no hydrogen 2.872 N/A TRP 156.A N ARG 205.A O no hydrogen 2.822 N/A TRP 156.A NE1 SER 154.A OG no hydrogen 3.026 N/A VAL 157.A N LYS 160.A O no hydrogen 2.656 N/A ASN 158.A N HIS 203.A O no hydrogen 3.074 N/A ASN 158.A ND2 ASN 202.A OD1 no hydrogen 3.148 N/A LYS 160.A N VAL 157.A O no hydrogen 2.940 N/A VAL 162.A N TRP 155.A O no hydrogen 2.870 N/A VAL 166.A N HIS 163.A O no hydrogen 3.269 N/A CYS 167.A N ARG 189.A O no hydrogen 2.924 N/A THR 168.A OG1 SER 188.A OG no hydrogen 2.957 N/A ASP 169.A N SER 187.A O no hydrogen 3.157 N/A LEU 173.A N SER 185.A O no hydrogen 2.799 N/A GLU 175.A N ARG 183.A O no hydrogen 3.128 N/A GLN 176.A N SER 182.A OG no hydrogen 3.297 N/A SER 182.A N LEU 179.A O no hydrogen 3.307 N/A SER 182.A OG ARG 183.A O no hydrogen 2.877 N/A TYR 184.A N PHE 146.A O no hydrogen 2.628 N/A SER 185.A N LEU 173.A O no hydrogen 2.825 N/A SER 185.A OG GLU 175.A OE2 no hydrogen 2.267 N/A LEU 186.A N ALA 143.A O no hydrogen 2.784 N/A SER 187.A N ASP 169.A OD2 no hydrogen 3.247 N/A SER 187.A OG ASP 169.A OD1 no hydrogen 2.679 N/A SER 187.A OG ASP 169.A OD2 no hydrogen 2.837 N/A SER 188.A N CYS 141.A O no hydrogen 3.069 N/A SER 188.A OG CYS 167.A O no hydrogen 3.227 N/A SER 188.A OG THR 168.A OG1 no hydrogen 2.957 N/A ARG 189.A N CYS 167.A O no hydrogen 2.854 N/A ARG 189.A NH1 CYS 167.A O no hydrogen 3.541 N/A ARG 189.A NH1 ASP 169.A OD1 no hydrogen 2.587 N/A LEU 190.A N LEU 139.A O no hydrogen 2.959 N/A ARG 191.A N GLY 165.A O no hydrogen 3.066 N/A ARG 191.A NE GLU 130.A OE2 no hydrogen 2.997 N/A ARG 191.A NH1 GLU 130.A OE2 no hydrogen 3.065 N/A VAL 192.A N ALA 137.A O no hydrogen 2.810 N/A ALA 194.A N GLN 135.A O no hydrogen 3.107 N/A PHE 196.A N SER 193.A O no hydrogen 2.854 N/A PHE 196.A N SER 193.A OG no hydrogen 3.140 N/A TRP 197.A N SER 193.A O no hydrogen 3.180 N/A GLN 198.A N ALA 194.A O no hydrogen 2.866 N/A ASN 199.A N PHE 196.A O no hydrogen 3.225 N/A ARG 201.A N ASN 199.A OD1 no hydrogen 3.370 N/A ASN 202.A N ASN 199.A O no hydrogen 3.275 N/A ASN 202.A ND2 PHE 196.A O no hydrogen 3.112 N/A HIS 203.A N ASN 158.A OD1 no hydrogen 2.853 N/A PHE 204.A N ALA 235.A O no hydrogen 2.739 N/A ARG 205.A N TRP 156.A O no hydrogen 2.890 N/A ARG 205.A NH2 SER 232.A OG no hydrogen 2.909 N/A CYS 206.A N ALA 233.A O no hydrogen 2.818 N/A GLN 207.A N SER 154.A O no hydrogen 2.945 N/A VAL 208.A N VAL 231.A O no hydrogen 2.774 N/A GLN 209.A N GLU 152.A O no hydrogen 2.925 N/A PHE 210.A N GLN 229.A O no hydrogen 2.821 N/A TYR 211.A N HIS 150.A O no hydrogen 3.119 N/A TYR 211.A OH GLU 152.A OE1 no hydrogen 3.109 N/A GLY 212.A N THR 228.A OG1 no hydrogen 3.171 N/A LEU 213.A N PRO 226.A O no hydrogen 3.106 N/A SER 214.A N ASP 217.A OD2 no hydrogen 2.880 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.828 N/A ASN 216.A N SER 214.A OG no hydrogen 2.975 N/A ASP 217.A N SER 214.A O no hydrogen 3.080 N/A TRP 219.A NE1 ARG 223.A O no hydrogen 2.759 N/A GLN 221.A NE2 ARG 114.A O no hydrogen 2.737 N/A ARG 223.A NE GLN 221.A OE1 no hydrogen 3.003 N/A ARG 223.A NH1 VAL 116.A O no hydrogen 2.543 N/A ARG 223.A NH2 VAL 116.A O no hydrogen 3.352 N/A LYS 225.A NZ SER 214.A O no hydrogen 3.265 N/A LYS 225.A NZ GLU 215.A O no hydrogen 3.335 N/A LYS 225.A NZ ASP 217.A O no hydrogen 2.752 N/A VAL 227.A N LYS 225.A O no hydrogen 2.917 N/A THR 228.A N LEU 213.A O no hydrogen 2.983 N/A THR 228.A OG1 GLY 212.A O no hydrogen 3.363 N/A GLN 229.A N PHE 210.A O no hydrogen 3.198 N/A GLN 229.A NE2 VAL 227.A O no hydrogen 2.871 N/A VAL 231.A N VAL 208.A O no hydrogen 2.921 N/A SER 232.A OG CYS 206.A O no hydrogen 2.877 N/A ALA 233.A N CYS 206.A O no hydrogen 2.873 N/A ALA 235.A N PHE 204.A O no hydrogen 2.877 N/A GLY 237.A N ASN 202.A O no hydrogen 2.873 N/A ARG 238.A N TRP 197.A O no hydrogen 3.037 N/A