Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wma_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ASP 83.A OD1 no hydrogen 2.808 N/A ALA 6.A N ASP 30.A O no hydrogen 2.901 N/A LEU 7.A N VAL 84.A O no hydrogen 2.860 N/A VAL 8.A N VAL 32.A O no hydrogen 3.171 N/A THR 9.A N VAL 86.A O no hydrogen 3.001 N/A THR 9.A OG1 VAL 86.A O no hydrogen 3.535 N/A GLY 11.A N THR 34.A O no hydrogen 2.891 N/A LYS 13.A NZ ASP 232.A OD2 no hydrogen 2.722 N/A LEU 17.A N LYS 13.A O no hydrogen 3.287 N/A ALA 18.A N GLY 14.A O no hydrogen 3.345 N/A ILE 19.A N ILE 15.A O no hydrogen 2.869 N/A VAL 20.A N GLY 16.A O no hydrogen 2.932 N/A ARG 21.A N LEU 17.A O no hydrogen 2.934 N/A ARG 21.A NE GLU 51.A OE2 no hydrogen 2.805 N/A ARG 21.A NH2 GLU 51.A OE1 no hydrogen 3.456 N/A ASP 22.A N ALA 18.A O no hydrogen 3.066 N/A LEU 23.A N ILE 19.A O no hydrogen 2.876 N/A CYS 24.A N VAL 20.A O no hydrogen 2.830 N/A CYS 24.A SG VAL 20.A O no hydrogen 3.382 N/A ARG 25.A N ARG 21.A O no hydrogen 3.366 N/A LEU 26.A N ASP 22.A O no hydrogen 2.855 N/A LEU 26.A N LEU 23.A O no hydrogen 3.238 N/A PHE 27.A N LEU 23.A O no hydrogen 2.786 N/A ASP 30.A N HIS 4.A O no hydrogen 2.843 N/A VAL 32.A N ALA 6.A O no hydrogen 2.767 N/A LEU 33.A N ARG 56.A O no hydrogen 2.881 N/A THR 34.A N VAL 8.A O no hydrogen 3.216 N/A THR 34.A OG1 VAL 8.A O no hydrogen 2.743 N/A THR 39.A OG1.B ASP 37.A OD2 no hydrogen 2.929 N/A ARG 40.A N ASP 37.A OD2 no hydrogen 2.914 N/A GLY 41.A N ASP 37.A O no hydrogen 2.901 N/A GLN 42.A N VAL 38.A O no hydrogen 2.948 N/A ALA 43.A N THR 39.A O.A no hydrogen 3.021 N/A ALA 43.A N THR 39.A O.B no hydrogen 2.928 N/A ALA 44.A N ARG 40.A O no hydrogen 3.007 N/A VAL 45.A N GLY 41.A O no hydrogen 3.035 N/A GLN 46.A N GLN 42.A O no hydrogen 2.919 N/A GLN 47.A N ALA 43.A O no hydrogen 2.971 N/A LEU 48.A N ALA 44.A O no hydrogen 3.021 N/A GLN 49.A N VAL 45.A O no hydrogen 2.833 N/A ALA 50.A N GLN 46.A O no hydrogen 2.939 N/A GLU 51.A N GLN 47.A O no hydrogen 3.249 N/A GLU 51.A N LEU 48.A O no hydrogen 3.032 N/A GLY 52.A N GLN 49.A O no hydrogen 2.882 N/A LEU 53.A N LEU 48.A O no hydrogen 3.022 N/A ARG 56.A N VAL 31.A O no hydrogen 2.782 N/A ARG 56.A NH1 GLU 78.A OE1 no hydrogen 2.954 N/A ARG 56.A NH1 TYR 79.A OH no hydrogen 2.896 N/A ARG 56.A NH2 GLU 78.A OE1 no hydrogen 3.250 N/A HIS 58.A N LEU 33.A O no hydrogen 3.094 N/A HIS 58.A ND1 GLN 59.A O no hydrogen 2.807 N/A GLN 59.A NE2 ARG 36.A O no hydrogen 3.074 N/A LEU 60.A N ALA 35.A O no hydrogen 2.890 N/A ASP 61.A N SER 67.A OG no hydrogen 2.926 N/A ASP 63.A N ASP 61.A OD1 no hydrogen 2.857 N/A ASP 64.A N ASP 61.A O no hydrogen 3.076 N/A GLN 66.A N ASP 64.A OD1 no hydrogen 2.943 N/A SER 67.A N ASP 64.A OD1 no hydrogen 3.439 N/A SER 67.A OG GLN 59.A OE1 no hydrogen 2.726 N/A ILE 68.A N ASP 64.A O no hydrogen 3.093 N/A ARG 69.A N LEU 65.A O no hydrogen 2.906 N/A ARG 69.A NE GLU 122.A OE2 no hydrogen 2.987 N/A ALA 70.A N GLN 66.A O no hydrogen 2.964 N/A LEU 71.A N SER 67.A O no hydrogen 3.107 N/A ARG 72.A N ILE 68.A O no hydrogen 2.912 N/A ARG 72.A NE ASP 73.A OD2 no hydrogen 3.003 N/A ARG 72.A NH1 GLU 122.A OE1 no hydrogen 2.782 N/A ARG 72.A NH2 ASP 73.A OD2 no hydrogen 2.932 N/A ASP 73.A N ARG 69.A O no hydrogen 2.948 N/A PHE 74.A N ALA 70.A O no hydrogen 2.995 N/A LEU 75.A N LEU 71.A O no hydrogen 2.902 N/A ARG 76.A N ARG 72.A O no hydrogen 2.934 N/A LYS 77.A N ASP 73.A O no hydrogen 2.950 N/A GLU 78.A N PHE 74.A O no hydrogen 2.807 N/A TYR 79.A N LEU 75.A O no hydrogen 2.940 N/A TYR 79.A OH ASP 30.A OD1.A no hydrogen 2.613 N/A TYR 79.A OH ASP 30.A OD1.B no hydrogen 2.623 N/A GLY 80.A N ARG 76.A O no hydrogen 2.990 N/A GLY 81.A N LEU 75.A O no hydrogen 3.364 N/A LEU 82.A N LEU 126.A O no hydrogen 2.981 N/A ASP 83.A N VAL 5.A O no hydrogen 2.917 N/A VAL 84.A N VAL 5.A O no hydrogen 3.111 N/A LEU 85.A N ARG 132.A O no hydrogen 3.044 N/A VAL 86.A N LEU 7.A O no hydrogen 2.867 N/A ASN 87.A N VAL 134.A O no hydrogen 2.831 N/A ASN 87.A ND2 ASN 135.A OD1 no hydrogen 2.829 N/A ASN 88.A N THR 9.A OG1 no hydrogen 3.007 N/A ASN 88.A ND2 THR 9.A O no hydrogen 3.212 N/A ALA 89.A N THR 9.A OG1 no hydrogen 3.003 N/A ILE 91.A N ASN 112.A OD1 no hydrogen 2.865 N/A LYS 94.A NZ.A ASP 232.A O no hydrogen 3.125 N/A LYS 94.A NZ.A MET 233.A O no hydrogen 2.671 N/A LYS 94.A NZ.B ASP 232.A O no hydrogen 2.897 N/A ASP 97.A N.A LYS 94.A O.A no hydrogen 3.160 N/A ASP 97.A N.A LYS 94.A O.B no hydrogen 3.332 N/A ASP 97.A N.B LYS 94.A O.A no hydrogen 3.142 N/A ASP 97.A N.B LYS 94.A O.B no hydrogen 3.341 N/A THR 99.A N ASP 97.A OD2.A no hydrogen 2.997 N/A THR 99.A N ASP 97.A OD2.B no hydrogen 2.491 N/A THR 99.A OG1 ASP 97.A OD2.A no hydrogen 2.762 N/A THR 99.A OG1 ASP 97.A OD2.B no hydrogen 2.532 N/A GLN 104.A N PRO 100.A O no hydrogen 2.940 N/A GLN 104.A NE2 THR 99.A O no hydrogen 2.877 N/A ALA 105.A N PHE 101.A O no hydrogen 2.821 N/A GLU 106.A N HIS 102.A O no hydrogen 3.051 N/A VAL 107.A N ILE 103.A O no hydrogen 2.849 N/A THR 108.A N GLN 104.A O no hydrogen 2.923 N/A THR 108.A OG1.A GLN 104.A O no hydrogen 2.848 N/A THR 108.A OG1.A ALA 105.A O no hydrogen 3.280 N/A THR 108.A OG1.B GLN 104.A O no hydrogen 2.706 N/A MET 109.A N ALA 105.A O no hydrogen 2.940 N/A LYS 110.A N GLU 106.A O no hydrogen 2.848 N/A THR 111.A N VAL 107.A O no hydrogen 3.321 N/A THR 111.A OG1 ASP 63.A OD2 no hydrogen 2.543 N/A ASN 112.A N THR 108.A O no hydrogen 2.868 N/A ASN 112.A ND2 ILE 91.A O no hydrogen 3.019 N/A ASN 112.A ND2 THR 195.A OG1 no hydrogen 3.090 N/A PHE 113.A N MET 109.A O no hydrogen 3.036 N/A PHE 114.A N MET 109.A O no hydrogen 2.999 N/A GLY 115.A N LYS 110.A O no hydrogen 2.793 N/A THR 116.A N THR 111.A O no hydrogen 3.307 N/A THR 116.A OG1 ASN 112.A O no hydrogen 2.648 N/A ARG 117.A N PHE 113.A O no hydrogen 2.864 N/A ARG 117.A NE GLU 163.A OE1 no hydrogen 2.694 N/A ASP 118.A N PHE 114.A O no hydrogen 2.878 N/A VAL 119.A N GLY 115.A O no hydrogen 2.953 N/A CYS 120.A N THR 116.A O no hydrogen 3.026 N/A CYS 120.A SG THR 116.A O no hydrogen 3.353 N/A THR 121.A N ARG 117.A O no hydrogen 2.828 N/A THR 121.A OG1 ARG 117.A O no hydrogen 3.134 N/A GLU 122.A N ASP 118.A O no hydrogen 3.126 N/A LEU 123.A N VAL 119.A O no hydrogen 2.782 N/A LEU 124.A N CYS 120.A O no hydrogen 2.881 N/A LEU 126.A N LEU 123.A O no hydrogen 2.904 N/A ILE 127.A N LEU 124.A O no hydrogen 3.057 N/A LYS 128.A N LEU 82.A O no hydrogen 2.968 N/A LYS 128.A NZ TYR 79.A O no hydrogen 2.794 N/A GLN 130.A N ASP 217.A O no hydrogen 2.818 N/A GLN 130.A NE2.A PRO 257.A O.A no hydrogen 3.000 N/A GLY 131.A N LYS 128.A O no hydrogen 2.941 N/A ARG 132.A N ASP 83.A O no hydrogen 2.951 N/A ARG 132.A NE LEU 255.A O no hydrogen 2.885 N/A ARG 132.A NH1 GLY 131.A O no hydrogen 2.856 N/A ARG 132.A NH1 LYS 218.A O no hydrogen 2.891 N/A ARG 132.A NH2 LEU 255.A O no hydrogen 3.248 N/A ARG 132.A NH2 PRO 256.A O no hydrogen 2.896 N/A VAL 133.A N LEU 220.A O no hydrogen 2.963 N/A VAL 134.A N LEU 85.A O no hydrogen 2.887 N/A ASN 135.A N ASN 222.A O no hydrogen 2.926 N/A ASN 135.A ND2 SER 203.A OG no hydrogen 2.859 N/A VAL 136.A N ASN 87.A O no hydrogen 2.863 N/A SER 137.A N CYS 224.A O no hydrogen 2.726 N/A SER 137.A OG LYS 196.A O no hydrogen 3.124 N/A SER 137.A OG THR 200.A OG1 no hydrogen 2.823 N/A MET 140.A N SER 138.A OG no hydrogen 2.933 N/A SER 141.A N SER 138.A O no hydrogen 2.864 N/A SER 141.A OG SER 138.A O no hydrogen 2.818 N/A SER 141.A OG THR 200.A OG1 no hydrogen 3.014 N/A ARG 143.A N.A ILE 139.A O no hydrogen 3.105 N/A ARG 143.A N.B ILE 139.A O no hydrogen 3.059 N/A ALA 144.A N MET 140.A O no hydrogen 2.802 N/A LEU 145.A N SER 141.A O no hydrogen 2.968 N/A LYS 146.A N ARG 143.A O.B no hydrogen 3.145 N/A SER 147.A N ALA 144.A O no hydrogen 2.953 N/A CYS 148.A N LEU 145.A O no hydrogen 3.109 N/A CYS 148.A SG ALA 144.A O no hydrogen 3.641 N/A SER 149.A N GLY 186.A O no hydrogen 2.828 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.857 N/A LEU 152.A N SER 149.A OG no hydrogen 3.053 N/A GLN 153.A N SER 149.A O no hydrogen 2.865 N/A GLN 153.A NE2 CYS 148.A O no hydrogen 2.939 N/A GLN 154.A N PRO 150.A O no hydrogen 2.987 N/A LYS 155.A N GLU 151.A O no hydrogen 3.192 N/A PHE 156.A N LEU 152.A O no hydrogen 2.938 N/A ARG 157.A N GLN 153.A O no hydrogen 2.907 N/A ARG 157.A NE TRP 275.A O no hydrogen 2.885 N/A ARG 157.A NE TRP 275.A OXT no hydrogen 3.330 N/A ARG 157.A NH1 GLN 153.A OE1 no hydrogen 2.839 N/A ARG 157.A NH2 TRP 275.A O no hydrogen 3.120 N/A SER 158.A N LYS 155.A O no hydrogen 3.257 N/A THR 160.A N SER 158.A OG no hydrogen 2.924 N/A THR 160.A OG1 SER 158.A OG no hydrogen 3.013 N/A THR 162.A N GLU 165.A OE1 no hydrogen 3.129 N/A THR 162.A OG1 GLU 165.A OE1 no hydrogen 3.470 N/A GLU 165.A N THR 162.A OG1 no hydrogen 3.018 N/A LEU 166.A N THR 162.A O no hydrogen 3.028 N/A VAL 167.A N GLU 163.A O no hydrogen 2.897 N/A GLY 168.A N GLU 164.A O no hydrogen 3.095 N/A LEU 169.A N GLU 165.A O no hydrogen 3.074 N/A MET 170.A N LEU 166.A O no hydrogen 2.870 N/A ASN 171.A N VAL 167.A O no hydrogen 2.970 N/A LYS 172.A N GLY 168.A O no hydrogen 2.864 N/A LYS 172.A NZ ASP 176.A OD2 no hydrogen 2.722 N/A LYS 172.A NZ GLU 185.A OE1.A no hydrogen 2.776 N/A LYS 172.A NZ GLU 185.A OE1.B no hydrogen 2.890 N/A PHE 173.A N LEU 169.A O no hydrogen 2.950 N/A VAL 174.A N MET 170.A O no hydrogen 3.300 N/A GLU 175.A N ASN 171.A O no hydrogen 2.895 N/A ASP 176.A N LYS 172.A O no hydrogen 2.775 N/A THR 177.A N PHE 173.A O no hydrogen 2.940 N/A THR 177.A OG1 VAL 174.A O no hydrogen 2.750 N/A LYS 178.A N VAL 174.A O no hydrogen 3.236 N/A LYS 179.A N GLU 175.A O no hydrogen 3.076 N/A GLY 180.A N THR 177.A O no hydrogen 3.120 N/A VAL 181.A N ASP 176.A O no hydrogen 3.009 N/A GLU 185.A N VAL 181.A O no hydrogen 2.952 N/A GLY 186.A N GLN 183.A O no hydrogen 2.946 N/A TRP 187.A N HIS 182.A O no hydrogen 2.984 N/A TRP 187.A NE1 ASP 176.A OD2 no hydrogen 2.959 N/A GLY 193.A N SER 190.A OG no hydrogen 3.039 N/A VAL 194.A N SER 190.A O no hydrogen 3.113 N/A THR 195.A N ALA 191.A O no hydrogen 3.041 N/A THR 195.A OG1 TYR 192.A O no hydrogen 2.793 N/A LYS 196.A N TYR 192.A O no hydrogen 3.097 N/A LYS 196.A NZ VAL 136.A O no hydrogen 2.956 N/A ILE 197.A N GLY 193.A O no hydrogen 2.937 N/A GLY 198.A N VAL 194.A O no hydrogen 3.005 N/A VAL 199.A N THR 195.A O no hydrogen 3.061 N/A THR 200.A N LYS 196.A O no hydrogen 2.889 N/A THR 200.A OG1 SER 137.A OG no hydrogen 2.823 N/A THR 200.A OG1 SER 141.A OG no hydrogen 3.014 N/A THR 200.A OG1 LYS 196.A O no hydrogen 3.200 N/A VAL 201.A N ILE 197.A O no hydrogen 2.859 N/A LEU 202.A N GLY 198.A O no hydrogen 2.854 N/A SER 203.A N VAL 199.A O no hydrogen 3.012 N/A SER 203.A OG VAL 199.A O no hydrogen 2.824 N/A ARG 204.A N THR 200.A O no hydrogen 3.135 N/A ARG 204.A NH1 ARG 157.A O no hydrogen 3.128 N/A ILE 205.A N VAL 201.A O no hydrogen 2.923 N/A HIS 206.A N LEU 202.A O no hydrogen 2.878 N/A HIS 206.A NE2 GLU 163.A OE2 no hydrogen 2.809 N/A ALA 207.A N SER 203.A O no hydrogen 2.902 N/A ARG 208.A N.A ARG 204.A O no hydrogen 3.054 N/A ARG 208.A N.B ARG 204.A O no hydrogen 3.092 N/A ARG 208.A NH1.A GLU 212.A OE1.A no hydrogen 3.033 N/A ARG 208.A NH1.A GLU 212.A OE2.A no hydrogen 3.385 N/A ARG 208.A NH1.B ILE 161.A O no hydrogen 2.823 N/A ARG 208.A NH2.A ILE 161.A O no hydrogen 3.142 N/A ARG 208.A NH2.B ILE 161.A O no hydrogen 3.010 N/A LYS 209.A N.A ILE 205.A O no hydrogen 3.029 N/A LYS 209.A N.B ILE 205.A O no hydrogen 2.794 N/A LEU 210.A N.A HIS 206.A O no hydrogen 2.977 N/A LEU 210.A N.B HIS 206.A O no hydrogen 2.803 N/A SER 211.A N.A ALA 207.A O no hydrogen 2.965 N/A SER 211.A N.B ALA 207.A O no hydrogen 3.209 N/A SER 211.A OG.A ALA 207.A O no hydrogen 3.119 N/A SER 211.A OG.A HIS 263.A NE2 no hydrogen 3.147 N/A SER 211.A OG.B ALA 207.A O no hydrogen 3.250 N/A SER 211.A OG.B HIS 263.A NE2 no hydrogen 3.285 N/A GLU 212.A N.A ARG 208.A O.A no hydrogen 2.874 N/A GLU 212.A N.A ARG 208.A O.B no hydrogen 2.873 N/A GLU 212.A N.B ARG 208.A O.A no hydrogen 3.264 N/A GLU 212.A N.B ARG 208.A O.B no hydrogen 3.065 N/A GLU 212.A N.B LYS 209.A O.B no hydrogen 2.915 N/A GLN 213.A N.A LYS 209.A O.A no hydrogen 2.637 N/A GLN 213.A N.A LYS 209.A O.B no hydrogen 3.008 N/A GLN 213.A N.B LYS 209.A O.A no hydrogen 2.673 N/A GLN 213.A N.B LYS 209.A O.B no hydrogen 2.864 N/A GLN 213.A NE2.A GLU 212.A OE1.B no hydrogen 2.783 N/A ARG 214.A N.A LEU 210.A O.A no hydrogen 2.809 N/A ARG 214.A N.B LEU 210.A O.A no hydrogen 3.304 N/A ARG 214.A N.B LEU 210.A O.B no hydrogen 2.723 N/A ARG 214.A NE.A ASP 217.A OD2 no hydrogen 2.902 N/A ARG 214.A NE.B ASP 217.A OD2 no hydrogen 2.600 N/A ARG 214.A NH1.A ILE 127.A O no hydrogen 2.918 N/A ARG 214.A NH1.B ILE 127.A O no hydrogen 2.701 N/A ARG 214.A NH2.A ILE 127.A O no hydrogen 2.903 N/A ARG 214.A NH2.A ASP 217.A OD2 no hydrogen 3.345 N/A ARG 214.A NH2.B ILE 127.A O no hydrogen 2.878 N/A ASP 217.A N ARG 214.A O.A no hydrogen 3.154 N/A ASP 217.A N ARG 214.A O.B no hydrogen 2.875 N/A LEU 220.A N GLY 131.A O no hydrogen 3.237 N/A LEU 221.A N HIS 263.A ND1 no hydrogen 3.144 N/A ASN 222.A N VAL 133.A O no hydrogen 3.090 N/A ASN 222.A ND2 PRO 262.A O no hydrogen 2.900 N/A ALA 223.A N GLN 265.A O no hydrogen 2.886 N/A CYS 224.A N ASN 135.A O no hydrogen 2.934 N/A CYS 224.A SG ASN 135.A O no hydrogen 3.829 N/A CYS 225.A N VAL 267.A O no hydrogen 2.939 N/A ARG 230.A N LYS 240.A O no hydrogen 2.806 N/A ARG 230.A NH2 ALA 238.A O no hydrogen 2.953 N/A ARG 230.A NH2 THR 239.A O no hydrogen 2.994 N/A MET 233.A N THR 231.A OG1 no hydrogen 3.031 N/A ALA 234.A N THR 231.A OG1 no hydrogen 3.263 N/A GLY 235.A N THR 231.A O no hydrogen 2.793 N/A LYS 240.A N TRP 228.A O no hydrogen 2.868 N/A LYS 240.A NZ PRO 226.A O no hydrogen 2.879 N/A LYS 240.A NZ GLU 269.A OE2 no hydrogen 2.690 N/A SER 241.A N GLU 244.A OE2 no hydrogen 2.932 N/A SER 241.A OG GLU 244.A OE2 no hydrogen 3.367 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.829 N/A GLU 244.A N SER 241.A OG no hydrogen 3.042 N/A GLY 245.A N SER 241.A O no hydrogen 2.860 N/A ALA 246.A N PRO 242.A O no hydrogen 2.923 N/A GLU 247.A N GLU 244.A O no hydrogen 3.163 N/A VAL 250.A N ALA 246.A O no hydrogen 2.940 N/A TYR 251.A N GLU 247.A O no hydrogen 2.885 N/A LEU 252.A N THR 248.A O no hydrogen 3.000 N/A ALA 253.A N PRO 249.A O no hydrogen 2.992 N/A LEU 254.A N VAL 250.A O no hydrogen 3.055 N/A LEU 254.A N TYR 251.A O no hydrogen 3.293 N/A ALA 259.A N.A PRO 256.A O no hydrogen 2.794 N/A ALA 259.A N.B PRO 256.A O no hydrogen 3.251 N/A HIS 263.A NE2 ALA 207.A O no hydrogen 2.947 N/A GLY 264.A N LEU 221.A O no hydrogen 2.749 N/A GLN 265.A N ASN 222.A OD1 no hydrogen 2.945 N/A VAL 267.A N ALA 223.A O no hydrogen 2.940 N/A SER 268.A N ARG 271.A O no hydrogen 2.939 N/A LYS 270.A N THR 248.A OG1 no hydrogen 2.971 N/A ARG 271.A N SER 268.A O no hydrogen 2.899 N/A ARG 271.A NH1 GLU 269.A O no hydrogen 3.127 N/A GLU 273.A N PHE 266.A O no hydrogen 2.869 N/A TRP 275.A NE1 PHE 156.A O no hydrogen 2.942 N/A