Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w25_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N ASP 1.A O no hydrogen 3.364 N/A THR 5.A OG1 ASP 1.A O no hydrogen 2.779 N/A GLN 6.A N PHE 2.A O no hydrogen 2.902 N/A PHE 7.A N SER 3.A O no hydrogen 2.959 N/A VAL 8.A N ILE 4.A O no hydrogen 2.875 N/A ARG 9.A N THR 5.A O no hydrogen 2.905 N/A ASN 10.A N GLN 6.A O no hydrogen 2.927 N/A LEU 11.A N VAL 8.A O no hydrogen 3.183 N/A GLY 12.A N ARG 9.A O no hydrogen 3.015 N/A LEU 13.A N VAL 8.A O no hydrogen 3.122 N/A LEU 16.A N LEU 13.A O no hydrogen 3.017 N/A MET 17.A N GLU 14.A O no hydrogen 2.915 N/A PHE 20.A N LEU 16.A O no hydrogen 3.373 N/A GLU 21.A N MET 17.A O no hydrogen 2.724 N/A ARG 22.A N ASP 18.A O no hydrogen 2.949 N/A GLU 23.A N ILE 19.A O no hydrogen 2.958 N/A GLN 24.A NE2 GLU 21.A O no hydrogen 3.288 N/A ILE 25.A N PHE 20.A O no hydrogen 3.053 N/A THR 26.A OG1 ASP 28.A OD1 no hydrogen 1.907 N/A LEU 30.A N THR 26.A O no hydrogen 2.767 N/A VAL 31.A N LEU 27.A O no hydrogen 2.926 N/A GLU 32.A N VAL 29.A O no hydrogen 3.130 N/A MET 33.A N LEU 30.A O no hydrogen 3.080 N/A GLY 34.A N GLU 37.A OE1 no hydrogen 3.037 N/A LYS 36.A NZ GLU 37.A OE2 no hydrogen 3.228 N/A LEU 38.A N GLY 34.A O no hydrogen 2.990 N/A LYS 39.A N HIS 35.A O no hydrogen 2.903 N/A LYS 39.A NZ ASN 44.A OD1 no hydrogen 3.483 N/A GLU 40.A N LYS 36.A O no hydrogen 2.943 N/A ILE 41.A N GLU 37.A O no hydrogen 3.270 N/A GLY 42.A N LYS 39.A O no hydrogen 3.300 N/A ILE 43.A N LEU 38.A O no hydrogen 3.022 N/A ARG 49.A N ALA 45.A O no hydrogen 3.448 N/A ARG 49.A NE HIS 35.A ND1 no hydrogen 2.973 N/A ARG 49.A NH1 ILE 43.A O no hydrogen 2.908 N/A ARG 49.A NH1 ASN 44.A O no hydrogen 2.826 N/A HIS 50.A N TYR 46.A O no hydrogen 2.887 N/A LYS 51.A N GLY 47.A O no hydrogen 2.923 N/A LEU 52.A N HIS 48.A O no hydrogen 2.950 N/A ILE 53.A N ARG 49.A O no hydrogen 2.922 N/A LYS 54.A N HIS 50.A O no hydrogen 2.917 N/A LYS 54.A NZ GLU 57.A OE1 no hydrogen 3.525 N/A GLY 55.A N LYS 51.A O no hydrogen 2.907 N/A VAL 56.A N LEU 52.A O no hydrogen 2.953 N/A GLU 57.A N ILE 53.A O no hydrogen 2.941 N/A ARG 58.A N LYS 54.A O no hydrogen 2.887 N/A LEU 59.A N GLY 55.A O no hydrogen 2.953 N/A ILE 60.A N VAL 56.A O no hydrogen 2.904 N/A SER 61.A N GLU 57.A O no hydrogen 2.972 N/A GLY 62.A N GLU 57.A O no hydrogen 3.345 N/A GLN 63.A N LEU 59.A O no hydrogen 3.329 N/A GLN 64.A N SER 61.A O no hydrogen 3.307 N/A LEU 66.A N GLN 63.A O no hydrogen 3.032 N/A ASN 67.A N GLN 64.A O no hydrogen 2.791 N/A THR 71.A OG1 ASN 67.A O no hydrogen 3.168 N/A LEU 72.A N PRO 68.A O no hydrogen 3.133 N/A LEU 72.A N TYR 69.A O no hydrogen 3.084 N/A ASN 73.A N LEU 70.A O no hydrogen 3.291 N/A SER 77.A OG THR 74.A O no hydrogen 2.865 N/A THR 79.A OG1 ILE 166.A O no hydrogen 2.914 N/A ILE 80.A N CYS 127.A O no hydrogen 2.925 N/A ILE 82.A N LYS 125.A O no hydrogen 2.939 N/A LEU 84.A N ILE 123.A O no hydrogen 3.081 N/A ASP 88.A N SER 85.A O no hydrogen 3.010 N/A GLN 92.A N ASP 88.A O no hydrogen 3.277 N/A GLN 92.A NE2 PRO 86.A O no hydrogen 3.513 N/A SER 93.A N LYS 89.A O no hydrogen 2.860 N/A VAL 94.A N GLU 90.A O no hydrogen 2.982 N/A GLU 95.A N PHE 91.A O no hydrogen 2.903 N/A GLU 96.A N GLN 92.A O no hydrogen 2.860 N/A GLU 97.A N SER 93.A O no hydrogen 2.964 N/A MET 98.A N VAL 94.A O no hydrogen 2.926 N/A GLN 99.A N GLU 95.A O no hydrogen 2.886 N/A GLN 99.A NE2 TYR 118.A O no hydrogen 2.865 N/A SER 100.A N GLU 96.A O no hydrogen 2.915 N/A SER 100.A OG GLU 96.A O no hydrogen 2.858 N/A THR 101.A OG1 GLU 97.A O no hydrogen 2.964 N/A THR 101.A OG1 MET 98.A O no hydrogen 3.340 N/A THR 101.A OG1 SER 191.A OG no hydrogen 3.151 N/A VAL 102.A N GLN 99.A O no hydrogen 3.343 N/A ARG 103.A NE ASN 190.A OD1 no hydrogen 3.046 N/A ARG 103.A NH1 GLU 104.A O no hydrogen 3.004 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 2.803 N/A HIS 105.A NE2 SER 192.A OG no hydrogen 2.536 N/A ARG 106.A NH2 PRO 255.A O no hydrogen 3.249 N/A GLY 109.A N ASP 107.A O no hydrogen 2.621 N/A ALA 111.A N ASP 107.A OD2 no hydrogen 3.124 N/A ILE 114.A N SER 214.A OG no hydrogen 3.251 N/A TYR 118.A N GLN 99.A OE1 no hydrogen 2.910 N/A TYR 118.A OH SER 191.A OG no hydrogen 2.835 N/A ASN 119.A N GLN 282.A O no hydrogen 2.882 N/A ASN 119.A ND2 GLN 282.A OE1 no hydrogen 3.246 N/A LEU 121.A N THR 280.A O no hydrogen 2.893 N/A LYS 122.A N THR 280.A O no hydrogen 3.378 N/A GLN 124.A N LEU 278.A O no hydrogen 2.830 N/A GLN 124.A NE2 ASP 83.A OD2 no hydrogen 3.295 N/A LYS 125.A N ILE 82.A O no hydrogen 2.852 N/A LYS 125.A NZ GLU 90.A OE2 no hydrogen 3.314 N/A VAL 126.A N GLU 276.A O no hydrogen 2.947 N/A CYS 127.A N ILE 80.A O no hydrogen 2.924 N/A ASN 128.A N TYR 274.A OH no hydrogen 3.160 N/A ASN 128.A ND2 THR 79.A OG1 no hydrogen 2.619 N/A LYS 129.A NZ GLU 133.A OE2 no hydrogen 2.532 N/A LEU 131.A N ASN 128.A OD1 no hydrogen 3.464 N/A TRP 132.A N ASN 128.A O no hydrogen 2.959 N/A GLU 133.A N LYS 129.A O no hydrogen 2.893 N/A ARG 134.A N LYS 130.A O no hydrogen 2.964 N/A ARG 134.A NH2 PHE 170.A O no hydrogen 2.939 N/A TYR 135.A N LEU 131.A O no hydrogen 2.934 N/A TYR 135.A OH GLU 152.A OE1 no hydrogen 2.761 N/A TYR 135.A OH THR 228.A OG1 no hydrogen 3.131 N/A THR 136.A N TRP 132.A O no hydrogen 2.894 N/A THR 136.A OG1 TRP 132.A O no hydrogen 2.982 N/A THR 136.A OG1 GLU 133.A O no hydrogen 2.892 N/A HIS 137.A N GLU 133.A O no hydrogen 2.926 N/A ARG 138.A N ARG 134.A O no hydrogen 3.035 N/A ARG 138.A NE GLN 272.A OE1 no hydrogen 3.363 N/A ARG 138.A NH1 GLU 141.A OE1 no hydrogen 3.511 N/A ARG 138.A NH2 GLN 272.A OE1 no hydrogen 3.124 N/A ARG 139.A N TYR 135.A O no hydrogen 2.878 N/A ARG 139.A NH1 GLU 152.A OE1 no hydrogen 2.784 N/A LYS 140.A N THR 136.A O no hydrogen 2.919 N/A LYS 140.A NZ THR 136.A O no hydrogen 3.484 N/A GLU 141.A N HIS 137.A O no hydrogen 3.005 N/A VAL 142.A N ARG 138.A O no hydrogen 2.895 N/A SER 143.A N ARG 139.A O no hydrogen 2.907 N/A SER 143.A OG ARG 139.A O no hydrogen 2.695 N/A GLU 144.A N LYS 140.A O no hydrogen 3.006 N/A GLU 145.A N VAL 142.A O no hydrogen 2.992 N/A ASN 146.A N SER 143.A O no hydrogen 2.983 N/A ASN 146.A ND2 HIS 149.A O no hydrogen 3.032 N/A HIS 147.A ND1 HIS 147.A O no hydrogen 2.695 N/A ASN 148.A N SER 143.A O no hydrogen 2.931 N/A HIS 149.A N ASN 146.A O no hydrogen 3.022 N/A ASN 151.A ND2 GLY 230.A O no hydrogen 2.793 N/A ARG 153.A N VAL 227.A O no hydrogen 2.887 N/A ARG 153.A NH2 ASN 151.A OD1 no hydrogen 2.859 N/A LEU 155.A N CYS 225.A O no hydrogen 2.941 N/A PHE 156.A N ALA 188.A O no hydrogen 2.894 N/A HIS 157.A N LEU 223.A O no hydrogen 2.844 N/A HIS 157.A ND1 TYR 186.A O no hydrogen 2.713 N/A ILE 165.A N PHE 161.A O no hydrogen 3.159 N/A ILE 166.A N VAL 162.A O no hydrogen 2.922 N/A HIS 167.A N ASN 163.A O no hydrogen 2.991 N/A HIS 167.A ND1 ASN 163.A O no hydrogen 3.012 N/A LYS 168.A N ALA 164.A O no hydrogen 2.860 N/A GLY 169.A N ILE 165.A O no hydrogen 2.477 N/A ARG 173.A N ASP 171.A OD1 no hydrogen 3.013 N/A ARG 173.A NE ASP 171.A OD1 no hydrogen 3.069 N/A ARG 173.A NE ASP 171.A OD2 no hydrogen 3.010 N/A ARG 173.A NH2 ASP 171.A OD2 no hydrogen 3.111 N/A HIS 174.A N ASP 171.A O no hydrogen 3.084 N/A TYR 176.A N GLY 184.A O no hydrogen 2.804 N/A GLY 179.A N TYR 176.A O no hydrogen 3.252 N/A PHE 181.A N TYR 186.A OH no hydrogen 3.097 N/A GLY 182.A N GLY 179.A O no hydrogen 3.189 N/A ILE 185.A N ILE 267.A O no hydrogen 2.870 N/A TYR 186.A OH GLY 182.A O no hydrogen 2.623 N/A PHE 187.A N TYR 265.A O no hydrogen 2.887 N/A ALA 188.A N PHE 156.A O no hydrogen 3.099 N/A GLU 189.A N ALA 263.A O no hydrogen 3.241 N/A ASN 190.A ND2 THR 101.A O no hydrogen 2.673 N/A SER 191.A N THR 101.A OG1 no hydrogen 3.071 N/A SER 191.A OG MET 98.A O no hydrogen 2.812 N/A SER 191.A OG THR 101.A OG1 no hydrogen 3.151 N/A SER 191.A OG TYR 118.A OH no hydrogen 2.835 N/A SER 192.A OG HIS 105.A NE2 no hydrogen 2.536 N/A ASN 195.A N SER 191.A O no hydrogen 2.891 N/A ASN 195.A ND2 GLY 112.A O no hydrogen 3.304 N/A GLN 196.A N SER 192.A O no hydrogen 2.974 N/A GLN 196.A N LYS 193.A O no hydrogen 3.265 N/A GLN 196.A NE2 ASP 107.A OD1 no hydrogen 3.201 N/A TYR 197.A N SER 194.A O no hydrogen 2.965 N/A VAL 198.A N ASN 195.A O no hydrogen 3.238 N/A GLY 200.A N TYR 197.A O no hydrogen 3.103 N/A GLY 203.A N GLY 200.A O no hydrogen 2.945 N/A GLY 204.A N ILE 201.A O no hydrogen 3.039 N/A GLY 206.A N GLY 203.A O no hydrogen 3.262 N/A CYS 207.A N ASP 212.A O no hydrogen 2.974 N/A CYS 207.A SG ASP 212.A O no hydrogen 3.518 N/A HIS 210.A N CYS 207.A O no hydrogen 3.294 N/A LYS 211.A N CYS 207.A O no hydrogen 2.671 N/A ARG 213.A NE HIS 110.A O no hydrogen 3.037 N/A ARG 213.A NH1 GLY 204.A O no hydrogen 3.100 N/A SER 214.A N ASP 212.A OD1 no hydrogen 3.136 N/A SER 214.A OG TYR 216.A OH no hydrogen 3.389 N/A CYS 215.A SG HIS 210.A ND1 no hydrogen 2.965 N/A TYR 216.A OH ILE 114.A O no hydrogen 2.782 N/A ARG 220.A N TYR 281.A O no hydrogen 2.869 N/A ARG 220.A NH1 GLY 112.A O no hydrogen 3.060 N/A ARG 220.A NH1 ASN 195.A OD1 no hydrogen 3.100 N/A ARG 220.A NH2 ARG 213.A O no hydrogen 2.935 N/A ARG 220.A NH2 CYS 215.A O no hydrogen 3.455 N/A LEU 222.A N ILE 279.A O no hydrogen 2.902 N/A LEU 223.A N HIS 157.A O no hydrogen 2.953 N/A PHE 224.A N TYR 277.A O no hydrogen 2.887 N/A CYS 225.A N LEU 155.A O no hydrogen 2.857 N/A CYS 225.A SG LEU 155.A O no hydrogen 3.979 N/A ARG 226.A N TYR 274.A O no hydrogen 2.844 N/A ARG 226.A NE GLU 276.A OE1 no hydrogen 2.622 N/A ARG 226.A NH1 GLU 152.A OE1 no hydrogen 3.479 N/A ARG 226.A NH2 GLU 276.A OE1 no hydrogen 3.105 N/A ARG 226.A NH2 GLU 276.A OE2 no hydrogen 3.525 N/A VAL 227.A N ARG 153.A O no hydrogen 2.888 N/A THR 228.A N GLN 272.A O no hydrogen 2.816 N/A THR 228.A OG1 TYR 135.A OH no hydrogen 3.131 N/A LEU 229.A N ASN 151.A O no hydrogen 3.294 N/A GLY 230.A N ALA 150.A O no hydrogen 2.937 N/A LYS 231.A N HIS 249.A ND1 no hydrogen 3.129 N/A SER 232.A OG SER 250.A OG no hydrogen 2.692 N/A PHE 233.A N SER 250.A O no hydrogen 2.908 N/A GLN 235.A N THR 252.A O no hydrogen 2.898 N/A MET 239.A N MET 180.A O no hydrogen 3.159 N/A HIS 248.A N PRO 245.A O no hydrogen 3.026 N/A HIS 248.A ND1 PRO 246.A O no hydrogen 2.903 N/A HIS 249.A N LYS 231.A O no hydrogen 2.785 N/A SER 250.A OG LEU 229.A O no hydrogen 3.004 N/A SER 250.A OG SER 232.A OG no hydrogen 2.692 N/A VAL 251.A N VAL 266.A O no hydrogen 2.955 N/A THR 252.A N PHE 233.A O no hydrogen 2.893 N/A GLY 253.A N GLU 264.A O no hydrogen 2.895 N/A ARG 254.A NH1 ALA 261.A O no hydrogen 2.897 N/A LEU 262.A N ASN 190.A OD1 no hydrogen 2.936 N/A ALA 263.A N GLU 189.A OE1 no hydrogen 3.114 N/A GLU 264.A N GLY 253.A O no hydrogen 2.955 N/A TYR 265.A N PHE 187.A O no hydrogen 2.910 N/A TYR 265.A OH GLU 189.A OE2 no hydrogen 2.784 N/A VAL 266.A N VAL 251.A O no hydrogen 2.863 N/A ILE 267.A N ILE 185.A O no hydrogen 2.955 N/A TYR 268.A OH PHE 181.A O no hydrogen 2.697 N/A ARG 269.A NE GLU 271.A OE2 no hydrogen 2.968 N/A ARG 269.A NH2 GLU 271.A OE2 no hydrogen 2.569 N/A GLY 270.A N GLU 172.A OE1 no hydrogen 3.089 N/A GLU 271.A N GLU 271.A OE1 no hydrogen 2.849 N/A GLN 272.A N ARG 269.A O no hydrogen 3.351 N/A GLN 272.A NE2 THR 228.A O no hydrogen 2.679 N/A GLN 272.A NE2 HIS 249.A O no hydrogen 2.995 N/A TYR 274.A N ARG 226.A O no hydrogen 2.779 N/A TYR 274.A OH VAL 126.A O no hydrogen 3.057 N/A TYR 277.A N PHE 224.A O no hydrogen 2.924 N/A TYR 277.A OH GLU 90.A OE2 no hydrogen 2.798 N/A LEU 278.A N GLN 124.A O no hydrogen 2.809 N/A ILE 279.A N LEU 222.A O no hydrogen 2.908 N/A THR 280.A N LYS 122.A O no hydrogen 2.898 N/A TYR 281.A N ARG 220.A O no hydrogen 2.931 N/A TYR 281.A OH ASN 195.A OD1 no hydrogen 2.527 N/A GLN 282.A N ASN 119.A O no hydrogen 2.894 N/A GLN 282.A NE2 ILE 217.A O no hydrogen 2.640 N/A MET 284.A N ARG 117.A O no hydrogen 3.189 N/A