Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xao_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 6.A OE1 no hydrogen 2.788 N/A GLN 6.A N THR 3.A OG1 no hydrogen 3.245 N/A GLN 6.A NE2 SER 216.A OG no hydrogen 3.417 N/A ARG 7.A N THR 3.A O no hydrogen 3.073 N/A MET 8.A N GLU 4.A O no hydrogen 2.855 N/A MET 9.A N GLU 5.A O no hydrogen 3.060 N/A ILE 10.A N GLN 6.A O no hydrogen 3.067 N/A ARG 11.A N ARG 7.A O no hydrogen 3.059 N/A GLU 12.A N MET 8.A O no hydrogen 3.101 N/A LEU 13.A N MET 9.A O no hydrogen 3.240 N/A MET 14.A N ILE 10.A O no hydrogen 2.902 N/A ASP 15.A N ARG 11.A O no hydrogen 2.956 N/A ALA 16.A N GLU 12.A O no hydrogen 2.964 N/A GLN 17.A N LEU 13.A O no hydrogen 2.889 N/A GLN 17.A NE2 GLN 185.A OE1 no hydrogen 2.916 N/A MET 18.A N MET 14.A O no hydrogen 2.902 N/A LYS 19.A N ASP 15.A O no hydrogen 3.162 N/A LYS 19.A NZ ASP 15.A OD1 no hydrogen 2.755 N/A THR 20.A N ALA 16.A O no hydrogen 3.163 N/A THR 20.A N GLN 17.A O no hydrogen 3.375 N/A THR 20.A OG1 ALA 16.A O no hydrogen 2.743 N/A PHE 21.A N GLN 17.A O no hydrogen 2.958 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 3.377 N/A THR 24.A OG1 SER 26.A OG no hydrogen 2.509 N/A PHE 25.A N ASP 22.A O no hydrogen 2.853 N/A SER 26.A OG THR 24.A OG1 no hydrogen 2.509 N/A HIS 27.A N ASP 22.A OD2 no hydrogen 3.001 N/A PHE 28.A N PHE 25.A O no hydrogen 3.314 N/A ARG 32.A N ASP 90.A OD2 no hydrogen 2.945 N/A ARG 32.A NE ASP 90.A OD2 no hydrogen 2.956 N/A ARG 32.A NH2 ASP 90.A OD1 no hydrogen 2.996 N/A ALA 42.A N ARG 38.A O no hydrogen 3.435 N/A LYS 43.A N GLU 39.A O no hydrogen 2.989 N/A LYS 43.A NZ ASP 257.A OD2 no hydrogen 2.879 N/A TRP 44.A N GLU 40.A O no hydrogen 3.102 N/A SER 45.A N ALA 41.A O no hydrogen 3.280 N/A GLN 46.A N ALA 42.A O no hydrogen 3.205 N/A GLN 46.A NE2 ASP 50.A OD1 no hydrogen 3.125 N/A VAL 47.A N LYS 43.A O no hydrogen 2.829 N/A ARG 48.A N TRP 44.A O no hydrogen 2.733 N/A LYS 49.A N SER 45.A O no hydrogen 3.265 N/A ASP 50.A N GLN 46.A O no hydrogen 2.870 N/A LEU 51.A N VAL 47.A O no hydrogen 3.120 N/A CYS 52.A N ARG 48.A O no hydrogen 3.244 N/A CYS 52.A SG ARG 48.A O no hydrogen 3.401 N/A CYS 52.A SG LYS 49.A O no hydrogen 3.565 N/A SER 57.A N CYS 152.A O no hydrogen 2.760 N/A SER 57.A OG CYS 152.A O no hydrogen 3.402 N/A SER 57.A OG GLU 154.A OE2 no hydrogen 3.468 N/A LEU 58.A N TYR 70.A O no hydrogen 3.057 N/A GLN 59.A N SER 150.A O no hydrogen 3.186 N/A LEU 60.A N TRP 68.A O no hydrogen 2.632 N/A ARG 61.A N ARG 148.A O no hydrogen 2.870 N/A ARG 61.A NH1 GLY 147.A O no hydrogen 2.417 N/A GLY 62.A N SER 66.A O no hydrogen 2.663 N/A GLY 65.A N GLY 62.A O no hydrogen 3.072 N/A SER 66.A N ASP 64.A OD1 no hydrogen 2.745 N/A SER 66.A OG ASP 64.A OD1 no hydrogen 2.443 N/A SER 66.A OG ASP 64.A OD2 no hydrogen 3.298 N/A TRP 68.A N LEU 60.A O no hydrogen 2.882 N/A TYR 70.A N LEU 58.A O no hydrogen 2.674 N/A SER 76.A N GLU 80.A OE2 no hydrogen 2.787 N/A GLY 77.A N ASP 75.A OD1 no hydrogen 3.338 N/A GLY 78.A N GLU 80.A OE2 no hydrogen 2.786 N/A PHE 82.A N LYS 79.A O no hydrogen 3.313 N/A SER 83.A OG GLU 80.A O no hydrogen 3.072 N/A LEU 85.A N PHE 82.A O no hydrogen 3.475 N/A HIS 87.A ND1 ARG 32.A O no hydrogen 2.863 N/A HIS 87.A NE2 TYR 151.A OH no hydrogen 2.798 N/A MET 88.A N LEU 84.A O no hydrogen 3.007 N/A ALA 89.A N LEU 85.A O no hydrogen 2.834 N/A ASP 90.A N PRO 86.A O no hydrogen 3.149 N/A MET 91.A N HIS 87.A O no hydrogen 3.013 N/A SER 92.A N MET 88.A O no hydrogen 3.044 N/A SER 92.A OG MET 88.A O no hydrogen 2.852 N/A SER 92.A OG ALA 89.A O no hydrogen 3.079 N/A THR 93.A N ALA 89.A O no hydrogen 3.029 N/A THR 93.A OG1 ALA 89.A O no hydrogen 2.579 N/A THR 93.A OG1 THR 263.A OG1 no hydrogen 2.707 N/A TYR 94.A N ASP 90.A O no hydrogen 3.082 N/A MET 95.A N MET 91.A O no hydrogen 2.921 N/A PHE 96.A N SER 92.A O no hydrogen 2.780 N/A LYS 97.A N THR 93.A O no hydrogen 3.170 N/A GLY 98.A N TYR 94.A O no hydrogen 3.404 N/A ILE 99.A N MET 95.A O no hydrogen 2.963 N/A ILE 100.A N PHE 96.A O no hydrogen 2.824 N/A SER 101.A N LYS 97.A O no hydrogen 2.976 N/A SER 101.A OG LYS 97.A O no hydrogen 2.859 N/A PHE 102.A N GLY 98.A O no hydrogen 2.926 N/A ALA 103.A N ILE 99.A O no hydrogen 2.982 N/A LYS 104.A N ILE 100.A O no hydrogen 3.123 N/A ILE 106.A N ALA 103.A O no hydrogen 3.162 N/A SER 107.A N GLU 12.A OE2 no hydrogen 2.596 N/A SER 107.A OG GLU 12.A OE1 no hydrogen 2.950 N/A SER 107.A OG GLU 12.A OE2 no hydrogen 2.856 N/A PHE 109.A N ILE 106.A O no hydrogen 3.121 N/A ARG 110.A N ILE 106.A O no hydrogen 2.950 N/A ASP 111.A N SER 107.A O no hydrogen 3.123 N/A LEU 112.A N PHE 109.A O no hydrogen 3.331 N/A ASP 116.A N PRO 113.A O no hydrogen 2.944 N/A GLN 117.A N PRO 113.A O no hydrogen 3.121 N/A GLN 117.A NE2 LEU 112.A O no hydrogen 2.934 N/A ILE 118.A N ILE 114.A O no hydrogen 3.354 N/A SER 119.A N GLU 115.A O no hydrogen 3.443 N/A SER 119.A OG GLU 115.A O no hydrogen 3.007 N/A LEU 120.A N ASP 116.A O no hydrogen 2.824 N/A LEU 121.A N GLN 117.A O no hydrogen 2.975 N/A LYS 122.A N ILE 118.A O no hydrogen 2.900 N/A GLY 123.A N SER 119.A O no hydrogen 3.292 N/A GLY 123.A N LEU 120.A O no hydrogen 3.307 N/A ALA 124.A N LEU 121.A O no hydrogen 3.347 N/A ALA 125.A N LEU 121.A O no hydrogen 2.928 N/A LEU 128.A N ALA 124.A O no hydrogen 2.938 N/A CYS 129.A N ALA 125.A O no hydrogen 3.046 N/A CYS 129.A SG.A ALA 125.A O no hydrogen 3.197 N/A GLN 130.A N PHE 126.A O no hydrogen 3.057 N/A LEU 131.A N GLU 127.A O no hydrogen 3.074 N/A ARG 132.A N LEU 128.A O no hydrogen 3.072 N/A ARG 132.A NE GLN 17.A OE1 no hydrogen 3.021 N/A ARG 132.A NH1 THR 20.A O no hydrogen 3.175 N/A ARG 132.A NH2 GLN 17.A OE1 no hydrogen 2.819 N/A ARG 132.A NH2 THR 20.A OG1 no hydrogen 2.717 N/A PHE 133.A N CYS 129.A O no hydrogen 3.031 N/A ASN 134.A N GLN 130.A O no hydrogen 3.065 N/A ASN 134.A ND2 HIS 168.A ND1 no hydrogen 3.323 N/A ASN 134.A ND2 HIS 168.A O no hydrogen 2.945 N/A THR 135.A OG1 ARG 132.A O no hydrogen 2.277 N/A VAL 136.A N PHE 133.A O no hydrogen 3.328 N/A PHE 137.A N ASN 134.A O no hydrogen 3.323 N/A ASN 138.A N THR 143.A O no hydrogen 2.651 N/A ASN 138.A ND2 GLU 145.A OE1 no hydrogen 3.314 N/A GLU 140.A N ASN 138.A OD1 no hydrogen 2.962 N/A THR 141.A N ASN 138.A O no hydrogen 3.372 N/A THR 141.A N ASN 138.A OD1 no hydrogen 3.347 N/A THR 141.A OG1 THR 143.A OG1 no hydrogen 3.170 N/A THR 143.A N ASN 138.A O no hydrogen 3.074 N/A THR 143.A OG1 THR 141.A O no hydrogen 3.205 N/A THR 143.A OG1 THR 141.A OG1 no hydrogen 3.170 N/A TRP 144.A N TYR 151.A O no hydrogen 3.074 N/A GLU 145.A N VAL 136.A O no hydrogen 2.956 N/A CYS 146.A N LEU 149.A O no hydrogen 2.676 N/A CYS 146.A SG TRP 144.A O no hydrogen 3.556 N/A LEU 149.A N CYS 146.A O no hydrogen 3.017 N/A SER 150.A N GLN 59.A O no hydrogen 3.176 N/A TYR 151.A N TRP 144.A O no hydrogen 3.170 N/A TYR 151.A OH HIS 87.A NE2 no hydrogen 2.798 N/A CYS 152.A N SER 57.A O no hydrogen 3.159 N/A CYS 152.A SG THR 141.A O no hydrogen 3.789 N/A CYS 152.A SG THR 143.A OG1 no hydrogen 3.365 N/A CYS 152.A SG LEU 153.A O no hydrogen 3.703 N/A LEU 153.A N GLY 142.A O no hydrogen 2.934 N/A GLU 154.A N LYS 55.A O no hydrogen 2.975 N/A LEU 159.A N PHE 156.A O no hydrogen 3.204 N/A LEU 161.A N GLN 158.A O no hydrogen 3.327 N/A GLU 162.A N LEU 159.A O no hydrogen 3.298 N/A LYS 166.A N GLU 162.A O no hydrogen 2.897 N/A PHE 167.A N PRO 163.A O no hydrogen 3.036 N/A HIS 168.A N MET 164.A O no hydrogen 3.288 N/A HIS 168.A NE2 GLN 130.A OE1 no hydrogen 2.821 N/A TYR 169.A N LEU 165.A O no hydrogen 3.208 N/A MET 170.A N LYS 166.A O no hydrogen 3.074 N/A LEU 171.A N PHE 167.A O no hydrogen 2.941 N/A LYS 172.A N HIS 168.A O no hydrogen 3.070 N/A LYS 172.A NZ ASN 134.A O no hydrogen 3.176 N/A LYS 172.A NZ PHE 137.A O no hydrogen 2.859 N/A LYS 173.A N TYR 169.A O no hydrogen 3.189 N/A LEU 174.A N LEU 171.A O no hydrogen 3.297 N/A GLN 175.A N LYS 172.A O no hydrogen 3.220 N/A HIS 177.A N GLU 180.A OE2 no hydrogen 2.738 N/A HIS 177.A ND1 TYR 217.A OH no hydrogen 2.979 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.711 N/A GLU 180.A N HIS 177.A O no hydrogen 3.147 N/A TYR 181.A N HIS 177.A O no hydrogen 3.129 N/A TYR 181.A OH ASN 134.A OD1 no hydrogen 2.521 N/A VAL 182.A N GLU 178.A O no hydrogen 3.132 N/A LEU 183.A N GLU 179.A O no hydrogen 3.122 N/A MET 184.A N GLU 180.A O no hydrogen 3.143 N/A GLN 185.A N TYR 181.A O no hydrogen 3.046 N/A GLN 185.A NE2 GLN 17.A OE1 no hydrogen 3.224 N/A ALA 186.A N VAL 182.A O no hydrogen 3.196 N/A ILE 187.A N LEU 183.A O no hydrogen 2.979 N/A SER 188.A N MET 184.A O no hydrogen 3.004 N/A SER 188.A OG GLU 127.A OE1 no hydrogen 2.698 N/A LEU 189.A N GLN 185.A O no hydrogen 2.864 N/A PHE 190.A N ALA 186.A O no hydrogen 2.958 N/A SER 191.A OG ILE 187.A O no hydrogen 3.402 N/A SER 191.A OG SER 188.A O no hydrogen 2.832 N/A ARG 194.A NH1 GLU 127.A OE2 no hydrogen 3.345 N/A ARG 194.A NH2 GLU 127.A OE1 no hydrogen 2.972 N/A ARG 194.A NH2 GLU 127.A OE2 no hydrogen 3.285 N/A ARG 194.A NH2 SER 188.A O no hydrogen 3.032 N/A VAL 197.A N ARG 194.A O no hydrogen 3.377 N/A LEU 198.A N ASP 116.A OD1 no hydrogen 3.382 N/A LEU 198.A N ASP 116.A OD2 no hydrogen 2.808 N/A GLN 199.A N ASP 116.A OD1 no hydrogen 2.692 N/A HIS 200.A N LEU 198.A O no hydrogen 2.750 N/A VAL 202.A N GLN 199.A O no hydrogen 3.220 N/A VAL 203.A N GLN 199.A O no hydrogen 2.989 N/A ASP 204.A N HIS 200.A O no hydrogen 3.321 N/A LEU 206.A N VAL 202.A O no hydrogen 3.027 N/A GLN 207.A N VAL 203.A O no hydrogen 2.883 N/A GLN 207.A NE2 ILE 187.A O no hydrogen 3.152 N/A GLU 208.A N ASP 204.A O no hydrogen 3.131 N/A GLN 209.A N GLN 205.A O no hydrogen 3.312 N/A GLN 209.A NE2.B GLN 205.A O no hydrogen 3.286 N/A PHE 210.A N LEU 206.A O no hydrogen 3.228 N/A ALA 211.A N GLN 207.A O no hydrogen 3.066 N/A ILE 212.A N GLU 208.A O no hydrogen 2.938 N/A THR 213.A N GLN 209.A O no hydrogen 2.891 N/A THR 213.A OG1 GLN 209.A O no hydrogen 3.041 N/A LEU 214.A N PHE 210.A O no hydrogen 3.053 N/A LYS 215.A N ALA 211.A O no hydrogen 2.911 N/A SER 216.A N ILE 212.A O no hydrogen 2.830 N/A SER 216.A OG ILE 212.A O no hydrogen 2.946 N/A TYR 217.A N THR 213.A O no hydrogen 2.743 N/A TYR 217.A OH HIS 177.A ND1 no hydrogen 2.979 N/A ILE 218.A N LEU 214.A O no hydrogen 3.105 N/A GLU 219.A N LYS 215.A O no hydrogen 3.239 N/A CYS 220.A N SER 216.A O no hydrogen 3.204 N/A CYS 220.A N TYR 217.A O no hydrogen 3.287 N/A CYS 220.A SG SER 216.A O no hydrogen 3.084 N/A ASN 221.A N TYR 217.A O no hydrogen 3.094 N/A ARG 222.A NE GLU 180.A OE1 no hydrogen 2.861 N/A ARG 222.A NH2 GLN 175.A O no hydrogen 3.088 N/A ARG 222.A NH2 GLU 180.A OE2 no hydrogen 2.911 N/A GLN 224.A N GLN 224.A OE1 no hydrogen 2.873 N/A HIS 227.A N GLN 224.A O no hydrogen 2.912 N/A LEU 230.A N HIS 227.A O no hydrogen 3.392 N/A LYS 233.A N PHE 229.A O no hydrogen 2.995 N/A ILE 234.A N LEU 230.A O no hydrogen 2.934 N/A MET 235.A N PHE 231.A O no hydrogen 2.995 N/A ALA 236.A N LEU 232.A O no hydrogen 3.022 N/A MET 237.A N LYS 233.A O no hydrogen 3.006 N/A LEU 238.A N ILE 234.A O no hydrogen 3.017 N/A THR 239.A N MET 235.A O no hydrogen 3.278 N/A THR 239.A OG1 MET 235.A O no hydrogen 3.342 N/A GLU 240.A N ALA 236.A O no hydrogen 3.071 N/A LEU 241.A N MET 237.A O no hydrogen 2.701 N/A ARG 242.A N LEU 238.A O no hydrogen 3.081 N/A ARG 242.A NH1 ASP 193.A OD1 no hydrogen 2.836 N/A ARG 242.A NH2 ASP 193.A O no hydrogen 3.241 N/A SER 243.A N THR 239.A O no hydrogen 3.151 N/A SER 243.A OG GLN 247.A OE1 no hydrogen 3.234 N/A ILE 244.A N GLU 240.A O no hydrogen 2.855 N/A ASN 245.A N LEU 241.A O no hydrogen 2.837 N/A ASN 245.A ND2 GLY 123.A O no hydrogen 3.172 N/A ALA 246.A N ARG 242.A O no hydrogen 3.137 N/A GLN 247.A N SER 243.A O no hydrogen 2.998 N/A HIS 248.A N ILE 244.A O no hydrogen 2.990 N/A THR 249.A N ASN 245.A O no hydrogen 3.206 N/A THR 249.A OG1 ASN 245.A O no hydrogen 2.891 N/A GLN 250.A N ALA 246.A O no hydrogen 3.423 N/A ARG 251.A N GLN 247.A O no hydrogen 3.142 N/A ARG 251.A NH1 GLU 162.A OE2 no hydrogen 3.344 N/A ARG 251.A NH2 ASP 50.A O no hydrogen 2.966 N/A LEU 252.A N HIS 248.A O no hydrogen 2.997 N/A LEU 253.A N THR 249.A O no hydrogen 3.233 N/A ARG 254.A N GLN 250.A O no hydrogen 3.081 N/A ARG 254.A NE ASP 50.A OD2 no hydrogen 2.839 N/A ARG 254.A NH2 ASP 50.A OD1 no hydrogen 2.930 N/A ARG 254.A NH2 ASP 50.A OD2 no hydrogen 2.929 N/A ILE 255.A N ARG 251.A O no hydrogen 3.062 N/A GLN 256.A N LEU 252.A O no hydrogen 2.778 N/A ASP 257.A N LEU 253.A O no hydrogen 3.064 N/A ASP 257.A N ARG 254.A O no hydrogen 3.244 N/A ILE 258.A N ILE 255.A O no hydrogen 3.227 N/A HIS 259.A N ILE 255.A O no hydrogen 2.724 N/A PHE 261.A N GLN 256.A OE1 no hydrogen 2.865 N/A ALA 262.A N GLN 256.A OE1 no hydrogen 2.974 N/A THR 263.A OG1 THR 93.A OG1 no hydrogen 2.707 N/A MET 266.A N THR 263.A OG1 no hydrogen 3.303 N/A GLN 267.A N THR 263.A O no hydrogen 2.761 N/A GLN 267.A NE2 ALA 262.A O no hydrogen 3.061 N/A GLU 268.A N PRO 264.A O no hydrogen 2.999 N/A LEU 269.A N LEU 265.A O no hydrogen 3.042 N/A PHE 270.A N MET 266.A O no hydrogen 2.934 N/A GLY 271.A N GLU 268.A O no hydrogen 3.390 N/A ILE 272.A N GLN 267.A O no hydrogen 2.713 N/A SER 275.A N THR 273.A OG1 no hydrogen 3.138 N/A