Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ALA 235.A O no hydrogen 3.022 N/A ARG 2.A NE GLU 259.A OE2 no hydrogen 2.921 N/A ARG 2.A NH2 GLU 259.A OE1 no hydrogen 2.807 N/A ARG 2.A NH2 GLU 259.A OE2 no hydrogen 3.380 N/A ILE 4.A N MET 237.A O no hydrogen 2.738 N/A LEU 6.A N CYS 239.A O no hydrogen 2.776 N/A THR 7.A N GLN 11.A OE1 no hydrogen 2.626 N/A THR 8.A N GLN 11.A OE1 no hydrogen 3.138 N/A GLN 11.A N THR 8.A OG1 no hydrogen 3.283 N/A VAL 12.A N THR 8.A O no hydrogen 3.043 N/A GLY 13.A N ALA 9.A O no hydrogen 2.946 N/A LYS 14.A N GLU 10.A O no hydrogen 2.999 N/A TRP 15.A N GLN 11.A O no hydrogen 2.783 N/A TRP 15.A NE1 ASN 262.A O no hydrogen 3.033 N/A ALA 16.A N VAL 12.A O no hydrogen 2.952 N/A ALA 17.A N GLY 13.A O no hydrogen 2.963 N/A ARG 18.A N LYS 14.A O no hydrogen 2.961 N/A ARG 18.A NH2 ASN 262.A O no hydrogen 3.040 N/A HIS 19.A N TRP 15.A O no hydrogen 2.946 N/A ILE 20.A N ALA 16.A O no hydrogen 2.988 N/A VAL 21.A N ALA 17.A O no hydrogen 3.010 N/A ASN 22.A N ARG 18.A O no hydrogen 3.038 N/A ARG 23.A N HIS 19.A O no hydrogen 3.054 N/A ARG 23.A NE GLU 198.A OE1 no hydrogen 2.796 N/A ARG 23.A NH2 GLU 198.A OE2 no hydrogen 2.971 N/A ILE 24.A N ILE 20.A O no hydrogen 2.984 N/A ASN 25.A N VAL 21.A O no hydrogen 2.930 N/A ASN 25.A ND2 GLN 60.A O no hydrogen 3.118 N/A ALA 26.A N ASN 22.A O no hydrogen 2.994 N/A PHE 27.A N ARG 23.A O no hydrogen 3.116 N/A LYS 28.A N ILE 24.A O no hydrogen 3.083 N/A THR 30.A N ARG 33.A O no hydrogen 2.911 N/A THR 30.A OG1 ASP 32.A OD2 no hydrogen 3.313 N/A ARG 33.A N THR 30.A O no hydrogen 3.014 N/A ARG 33.A N THR 30.A OG1 no hydrogen 3.010 N/A ARG 33.A NH2 PHE 27.A O no hydrogen 2.467 N/A ARG 33.A NH2 LYS 28.A O no hydrogen 3.168 N/A PHE 35.A N HIS 65.A O no hydrogen 3.042 N/A LEU 37.A N VAL 67.A O no hydrogen 2.820 N/A GLY 38.A N LEU 133.A O no hydrogen 2.826 N/A LEU 39.A N PHE 69.A O no hydrogen 2.824 N/A MET 46.A N GLY 43.A O no hydrogen 3.182 N/A THR 47.A OG1 ALA 9.A O no hydrogen 2.790 N/A TYR 49.A N PRO 45.A O no hydrogen 2.891 N/A TYR 49.A OH PRO 40.A O no hydrogen 2.661 N/A LYS 50.A N MET 46.A O no hydrogen 2.941 N/A ALA 51.A N THR 47.A O no hydrogen 3.107 N/A LEU 52.A N THR 48.A O no hydrogen 2.863 N/A VAL 53.A N TYR 49.A O no hydrogen 2.991 N/A GLU 54.A N LYS 50.A O no hydrogen 3.048 N/A MET 55.A N ALA 51.A O no hydrogen 3.063 N/A HIS 56.A N LEU 52.A O no hydrogen 3.015 N/A LYS 57.A N VAL 53.A O no hydrogen 2.899 N/A ALA 58.A N GLU 54.A O no hydrogen 2.840 N/A GLY 59.A N HIS 56.A O no hydrogen 2.712 N/A GLN 60.A N MET 55.A O no hydrogen 2.849 N/A SER 62.A OG ASP 98.A OD2 no hydrogen 2.576 N/A PHE 63.A N ASP 98.A OD1 no hydrogen 2.804 N/A LYS 64.A N SER 62.A OG no hydrogen 3.137 N/A VAL 66.A N PHE 63.A O no hydrogen 3.095 N/A VAL 67.A N PHE 35.A O no hydrogen 2.814 N/A THR 68.A N ASN 103.A O no hydrogen 2.973 N/A PHE 69.A N LEU 37.A O no hydrogen 2.972 N/A ASN 70.A N ASN 105.A O no hydrogen 3.199 N/A MET 71.A N LEU 39.A O no hydrogen 3.064 N/A GLU 73.A N LEU 186.A O no hydrogen 3.081 N/A TYR 74.A N GLU 73.A OE1 no hydrogen 2.845 N/A VAL 75.A N TYR 184.A O no hydrogen 2.935 N/A GLY 76.A N GLY 109.A O no hydrogen 2.904 N/A HIS 81.A N PRO 78.A O no hydrogen 3.004 N/A GLU 83.A N HIS 81.A ND1 no hydrogen 2.793 N/A SER 84.A N HIS 81.A O no hydrogen 3.089 N/A SER 84.A OG LYS 79.A O no hydrogen 3.059 N/A SER 84.A OG HIS 81.A O no hydrogen 3.070 N/A SER 84.A OG SER 87.A OG no hydrogen 3.242 N/A TYR 85.A N GLU 73.A OE1 no hydrogen 2.938 N/A TYR 86.A N GLU 73.A OE2 no hydrogen 2.951 N/A SER 87.A N SER 84.A OG no hydrogen 3.157 N/A SER 87.A OG LYS 79.A O no hydrogen 3.132 N/A SER 87.A OG HIS 81.A O no hydrogen 2.684 N/A SER 87.A OG SER 84.A OG no hydrogen 3.242 N/A PHE 88.A N SER 84.A O no hydrogen 3.103 N/A MET 89.A N TYR 85.A O no hydrogen 3.061 N/A HIS 90.A N TYR 86.A O no hydrogen 3.299 N/A HIS 90.A ND1 TYR 86.A O no hydrogen 3.209 N/A ARG 91.A N SER 87.A O no hydrogen 2.994 N/A ARG 91.A NH1 PRO 82.A O no hydrogen 3.030 N/A ARG 91.A NH2 PRO 82.A O no hydrogen 3.092 N/A ASN 92.A N PHE 88.A O no hydrogen 2.962 N/A PHE 94.A N MET 89.A O no hydrogen 2.955 N/A ASP 95.A N HIS 90.A O no hydrogen 2.962 N/A HIS 96.A N PHE 93.A O no hydrogen 3.000 N/A HIS 96.A NE2 ARG 91.A O no hydrogen 2.786 N/A VAL 97.A N PHE 94.A O no hydrogen 3.414 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.800 N/A ASN 103.A N PRO 100.A O no hydrogen 2.867 N/A ASN 103.A ND2 VAL 66.A O no hydrogen 3.078 N/A ILE 104.A N ALA 101.A O no hydrogen 3.381 N/A ASN 105.A N THR 68.A O no hydrogen 2.940 N/A ASN 105.A ND2 THR 68.A O no hydrogen 3.165 N/A ASN 108.A N GLU 117.A OE2 no hydrogen 2.810 N/A ASN 110.A N ASN 108.A OD1 no hydrogen 2.939 N/A ASN 110.A ND2 LEU 77.A O no hydrogen 2.792 N/A ALA 111.A N ASN 108.A O no hydrogen 3.133 N/A ALA 116.A N ASP 113.A OD1 no hydrogen 3.085 N/A GLU 117.A N ASP 113.A O no hydrogen 3.017 N/A CYS 118.A N ILE 114.A O no hydrogen 2.949 N/A CYS 118.A SG ILE 114.A O no hydrogen 3.413 N/A ARG 119.A N ASP 115.A O no hydrogen 2.972 N/A ARG 119.A NE GLU 123.A OE2 no hydrogen 2.880 N/A GLN 120.A N ALA 116.A O no hydrogen 3.018 N/A TYR 121.A N GLU 117.A O no hydrogen 3.098 N/A TYR 121.A OH ASN 70.A O no hydrogen 2.683 N/A TYR 121.A OH ASN 105.A O no hydrogen 3.317 N/A GLU 122.A N CYS 118.A O no hydrogen 3.256 N/A GLU 123.A N ARG 119.A O no hydrogen 2.961 N/A LYS 124.A N GLN 120.A O no hydrogen 2.811 N/A LYS 124.A NZ ASN 105.A OD1 no hydrogen 2.770 N/A ILE 125.A N TYR 121.A O no hydrogen 3.083 N/A ARG 126.A N GLU 122.A O no hydrogen 2.978 N/A SER 127.A N GLU 123.A O no hydrogen 2.920 N/A SER 127.A OG LYS 124.A O no hydrogen 3.021 N/A TYR 128.A N ILE 125.A O no hydrogen 3.062 N/A GLY 129.A N ILE 125.A O no hydrogen 3.132 N/A HIS 132.A N VAL 36.A O no hydrogen 2.849 N/A LEU 133.A N VAL 36.A O no hydrogen 3.363 N/A PHE 134.A N GLU 198.A O no hydrogen 2.768 N/A MET 135.A N GLY 38.A O no hydrogen 2.859 N/A GLY 136.A N MET 200.A O no hydrogen 2.902 N/A GLY 139.A N HIS 143.A O no hydrogen 2.906 N/A GLY 142.A N GLY 139.A O no hydrogen 2.830 N/A HIS 143.A N ASP 141.A OD1 no hydrogen 3.206 N/A HIS 143.A ND1 GLU 148.A OE1 no hydrogen 2.812 N/A ILE 144.A N THR 225.A OG1 no hydrogen 3.115 N/A PHE 146.A N THR 187.A OG1 no hydrogen 3.082 N/A ASN 147.A N ILE 144.A O no hydrogen 2.965 N/A ASN 147.A ND2 ILE 144.A O no hydrogen 2.974 N/A ASN 147.A ND2 VAL 188.A O no hydrogen 2.926 N/A GLU 148.A N PHE 146.A O no hydrogen 2.867 N/A ALA 150.A N HIS 222.A O no hydrogen 2.807 N/A SER 151.A OG GLU 148.A O no hydrogen 2.627 N/A ALA 154.A N SER 152.A OG no hydrogen 3.103 N/A SER 155.A N SER 152.A O no hydrogen 3.329 N/A SER 155.A OG SER 152.A O no hydrogen 2.826 N/A ARG 156.A NH1 GLU 122.A OE1 no hydrogen 3.047 N/A ARG 156.A NH1 ASP 195.A OD2 no hydrogen 3.187 N/A ARG 156.A NH2 ASP 195.A OD2 no hydrogen 2.631 N/A THR 157.A N GLU 122.A OE2 no hydrogen 2.856 N/A THR 157.A OG1 GLU 122.A OE2 no hydrogen 2.638 N/A ARG 158.A N THR 187.A O no hydrogen 3.033 N/A ARG 158.A NH1 ASN 147.A OD1 no hydrogen 2.976 N/A ARG 158.A NH1 ARG 156.A O no hydrogen 3.022 N/A ARG 158.A NH2 ASN 147.A OD1 no hydrogen 2.926 N/A LYS 160.A N ALA 185.A O no hydrogen 2.870 N/A LEU 162.A N LYS 183.A O no hydrogen 2.821 N/A THR 163.A N GLU 148.A OE2 no hydrogen 2.736 N/A THR 166.A OG1 GLU 148.A OE1 no hydrogen 3.240 N/A THR 166.A OG1 GLU 148.A OE2 no hydrogen 2.886 N/A ARG 167.A N THR 163.A O no hydrogen 3.100 N/A ARG 167.A NH1 VAL 181.A O no hydrogen 2.637 N/A VAL 168.A N HIS 164.A O no hydrogen 3.024 N/A ALA 169.A N ASP 165.A O no hydrogen 2.992 N/A ASN 170.A N THR 166.A O no hydrogen 2.954 N/A ASN 170.A ND2 TYR 74.A OH no hydrogen 2.826 N/A SER 171.A N VAL 168.A O no hydrogen 3.217 N/A SER 171.A OG VAL 168.A O no hydrogen 2.532 N/A PHE 173.A N ASN 170.A O no hydrogen 2.975 N/A PHE 174.A N SER 171.A O no hydrogen 2.917 N/A ASP 177.A N PHE 174.A O no hydrogen 3.053 N/A ASN 179.A N ASP 177.A OD1 no hydrogen 3.112 N/A GLN 180.A N ASP 177.A O no hydrogen 3.015 N/A VAL 181.A N VAL 178.A O no hydrogen 3.071 N/A ALA 185.A N LYS 160.A O no hydrogen 3.042 N/A LEU 186.A N GLU 73.A O no hydrogen 2.828 N/A THR 187.A N ARG 158.A O no hydrogen 2.905 N/A THR 187.A OG1 VAL 188.A O no hydrogen 3.057 N/A VAL 188.A N MET 71.A O no hydrogen 2.869 N/A GLY 189.A N THR 192.A OG1 no hydrogen 2.920 N/A VAL 190.A N SER 155.A OG no hydrogen 2.984 N/A GLY 191.A N SER 155.A O no hydrogen 2.922 N/A THR 192.A OG1 GLU 122.A OE2 no hydrogen 2.752 N/A LEU 193.A N GLY 189.A O no hydrogen 3.052 N/A LEU 194.A N VAL 190.A O no hydrogen 2.851 N/A ASP 195.A N GLY 191.A O no hydrogen 3.050 N/A ASP 195.A N THR 192.A O no hydrogen 3.234 N/A ALA 196.A N LEU 193.A O no hydrogen 3.057 N/A GLU 197.A N ILE 131.A O no hydrogen 2.806 N/A VAL 199.A N LYS 234.A O no hydrogen 3.084 N/A MET 200.A N PHE 134.A O no hydrogen 2.793 N/A ILE 201.A N ILE 236.A O no hydrogen 2.810 N/A LEU 202.A N GLY 136.A O no hydrogen 2.858 N/A VAL 203.A N VAL 238.A O no hydrogen 2.815 N/A GLY 205.A N ASP 240.A OD1 no hydrogen 3.013 N/A GLY 205.A N ASP 240.A OD2 no hydrogen 3.020 N/A LYS 208.A N GLY 205.A O no hydrogen 3.047 N/A LYS 208.A NZ VAL 138.A O no hydrogen 3.029 N/A ALA 209.A N SER 206.A O no hydrogen 3.176 N/A LEU 212.A N LYS 208.A O no hydrogen 2.880 N/A GLN 213.A N ALA 209.A O no hydrogen 3.011 N/A GLN 213.A NE2 GLU 246.A O no hydrogen 3.518 N/A ALA 214.A N LEU 210.A O no hydrogen 2.931 N/A ALA 215.A N ALA 211.A O no hydrogen 2.917 N/A VAL 216.A N LEU 212.A O no hydrogen 2.937 N/A GLU 217.A N GLN 213.A O no hydrogen 2.783 N/A GLY 218.A N ALA 214.A O no hydrogen 3.267 N/A ASN 221.A N SER 227.A OG no hydrogen 3.101 N/A ASN 221.A ND2 CYS 219.A O no hydrogen 2.926 N/A TRP 224.A N ASN 221.A OD1 no hydrogen 2.960 N/A THR 225.A OG1 GLY 142.A O no hydrogen 3.535 N/A THR 225.A OG1 ASN 147.A O no hydrogen 2.690 N/A ILE 226.A N GLY 142.A O no hydrogen 2.894 N/A SER 227.A N TRP 224.A O no hydrogen 2.846 N/A SER 227.A OG ASN 221.A O no hydrogen 3.040 N/A SER 227.A OG TRP 224.A O no hydrogen 2.989 N/A CYS 228.A N THR 225.A O no hydrogen 2.980 N/A CYS 228.A SG THR 225.A O no hydrogen 3.226 N/A LEU 229.A N ILE 226.A O no hydrogen 3.179 N/A GLN 230.A N SER 227.A O no hydrogen 3.135 N/A GLN 230.A NE2 ALA 215.A O no hydrogen 3.054 N/A GLN 230.A NE2 GLY 218.A O no hydrogen 2.759 N/A LEU 231.A N CYS 228.A O no hydrogen 2.832 N/A HIS 232.A N LEU 229.A O no hydrogen 3.009 N/A HIS 232.A NE2 ALA 196.A O no hydrogen 2.749 N/A LYS 234.A N HIS 232.A ND1 no hydrogen 2.920 N/A ILE 236.A N VAL 199.A O no hydrogen 2.823 N/A MET 237.A N ARG 2.A O no hydrogen 2.790 N/A VAL 238.A N ILE 201.A O no hydrogen 2.828 N/A CYS 239.A N ILE 4.A O no hydrogen 2.915 N/A ASP 240.A N VAL 203.A O no hydrogen 3.115 N/A GLU 241.A N THR 7.A O no hydrogen 3.145 N/A SER 243.A N ASP 240.A OD1 no hydrogen 3.219 N/A SER 243.A OG VAL 203.A O no hydrogen 3.455 N/A SER 243.A OG ASP 240.A O no hydrogen 2.944 N/A SER 243.A OG ASP 240.A OD1 no hydrogen 3.151 N/A THR 244.A N GLU 241.A O no hydrogen 2.972 N/A THR 244.A OG1 GLU 241.A O no hydrogen 2.690 N/A MET 245.A N PRO 242.A O no hydrogen 3.468 N/A LEU 247.A N THR 244.A O no hydrogen 3.228 N/A LYS 248.A N GLU 217.A OE2 no hydrogen 2.888 N/A THR 251.A N LYS 248.A O no hydrogen 2.989 N/A THR 251.A OG1 GLU 217.A OE2 no hydrogen 2.563 N/A LEU 252.A N LYS 248.A O no hydrogen 3.161 N/A ARG 253.A N VAL 249.A O no hydrogen 2.831 N/A TYR 254.A N LYS 250.A O no hydrogen 3.112 N/A PHE 255.A N THR 251.A O no hydrogen 3.296 N/A ASN 256.A N LEU 252.A O no hydrogen 2.947 N/A ASN 256.A ND2 LEU 252.A O no hydrogen 3.282 N/A GLU 257.A N ARG 253.A O no hydrogen 3.101 N/A LEU 258.A N TYR 254.A O no hydrogen 3.029 N/A GLU 259.A N PHE 255.A O no hydrogen 3.069 N/A ASN 262.A N GLU 259.A O no hydrogen 2.846 N/A ASN 262.A ND2 GLU 259.A OE1 no hydrogen 2.873 N/A LYS 264.A N ALA 260.A O no hydrogen 3.032 N/A