Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aot_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLU 241.A O no hydrogen 2.796 N/A PHE 5.A N SER 3.A OG no hydrogen 3.326 N/A SER 6.A N SER 3.A O no hydrogen 2.935 N/A ASP 7.A N LEU 4.A O no hydrogen 3.342 N/A TYR 11.A N ASP 7.A O no hydrogen 2.856 N/A VAL 12.A N HIS 8.A O no hydrogen 2.955 N/A GLU 13.A N GLY 9.A O no hydrogen 2.979 N/A SER 14.A N LYS 10.A O no hydrogen 2.955 N/A SER 14.A OG LYS 10.A O no hydrogen 3.358 N/A SER 14.A OG LEU 234.A O no hydrogen 2.967 N/A PHE 15.A N TYR 11.A O no hydrogen 2.778 N/A ARG 16.A N VAL 12.A O no hydrogen 2.770 N/A ARG 17.A N.A GLU 13.A O no hydrogen 3.326 N/A ARG 17.A N.B GLU 13.A O no hydrogen 3.328 N/A ARG 17.A N.C GLU 13.A O no hydrogen 3.322 N/A ARG 17.A NH1.A ASN 231.A O no hydrogen 3.433 N/A ARG 17.A NH1.B ASN 231.A OD1 no hydrogen 3.511 N/A PHE 18.A N SER 14.A O no hydrogen 2.891 N/A LEU 19.A N PHE 15.A O no hydrogen 2.969 N/A ASN 20.A N ARG 16.A O no hydrogen 2.854 N/A HIS 21.A N PHE 18.A O no hydrogen 3.065 N/A HIS 21.A ND1 ARG 17.A O.A no hydrogen 3.021 N/A HIS 21.A ND1 ARG 17.A O.B no hydrogen 3.044 N/A HIS 21.A ND1 ARG 17.A O.C no hydrogen 3.024 N/A SER 22.A N LEU 19.A O no hydrogen 3.112 N/A SER 22.A OG PHE 18.A O no hydrogen 2.811 N/A SER 22.A OG LEU 19.A O no hydrogen 3.526 N/A THR 23.A N THR 218.A O no hydrogen 3.104 N/A THR 23.A OG1 SER 217.A OG no hydrogen 2.896 N/A CYS 27.A N THR 23.A O no hydrogen 2.583 N/A CYS 27.A SG LEU 215.A O no hydrogen 3.753 N/A CYS 27.A SG LEU 216.A O no hydrogen 3.755 N/A MET 28.A N.A GLU 24.A O no hydrogen 3.037 N/A MET 28.A N.B GLU 24.A O no hydrogen 3.053 N/A GLN 29.A N HIS 25.A O no hydrogen 2.728 N/A GLN 29.A NE2 GLN 29.A O no hydrogen 3.518 N/A GLN 29.A NE2 ASP 33.A OD1 no hydrogen 3.348 N/A GLN 29.A NE2 ASP 33.A OD2 no hydrogen 3.498 N/A GLN 29.A NE2 GLN 65.A OE1 no hydrogen 3.059 N/A GLU 30.A N GLN 26.A O no hydrogen 2.901 N/A PHE 31.A N CYS 27.A O no hydrogen 3.053 N/A MET 32.A N.A MET 28.A O.A no hydrogen 2.920 N/A MET 32.A N.A MET 28.A O.B no hydrogen 2.901 N/A MET 32.A N.B MET 28.A O.A no hydrogen 2.906 N/A MET 32.A N.B MET 28.A O.B no hydrogen 2.888 N/A ASP 33.A N GLN 29.A O no hydrogen 2.852 N/A LYS 34.A N GLU 30.A O no hydrogen 2.949 N/A LYS 35.A N PHE 31.A O no hydrogen 2.646 N/A LEU 36.A N PHE 31.A O no hydrogen 3.153 N/A ILE 39.A N LYS 35.A O no hydrogen 3.346 N/A ILE 40.A N LEU 36.A O no hydrogen 2.854 N/A GLY 41.A N GLY 38.A O no hydrogen 3.381 N/A ILE 43.A N ILE 40.A O no hydrogen 3.339 N/A GLY 44.A N TYR 74.A OH no hydrogen 3.018 N/A ASP 45.A N ARG 42.A O no hydrogen 3.231 N/A THR 46.A OG1 ASP 45.A O no hydrogen 2.358 N/A LYS 47.A N GLY 44.A O no hydrogen 3.061 N/A LYS 47.A NZ ILE 43.A O no hydrogen 2.887 N/A LYS 47.A NZ ASP 132.A OD1 no hydrogen 2.743 N/A LYS 47.A NZ THR 159.A O no hydrogen 2.788 N/A LYS 51.A N ASP 132.A OD2 no hydrogen 2.748 N/A LYS 51.A NZ GLN 129.A OE1 no hydrogen 2.756 N/A LYS 51.A NZ LYS 130.A O no hydrogen 3.036 N/A ILE 52.A N ASN 79.A O no hydrogen 2.787 N/A LEU 53.A N PHE 133.A O no hydrogen 2.851 N/A SER 54.A N GLU 81.A O no hydrogen 2.824 N/A SER 54.A OG ASP 63.A OD1 no hydrogen 2.510 N/A SER 54.A OG ASP 63.A OD2 no hydrogen 3.424 N/A ILE 55.A N HIS 135.A O no hydrogen 2.814 N/A GLY 56.A N VAL 83.A O no hydrogen 2.730 N/A GLY 58.A N GLU 84.A OE1 no hydrogen 2.805 N/A GLY 60.A N GLY 57.A O no hydrogen 3.328 N/A LEU 64.A N GLY 60.A O no hydrogen 3.095 N/A GLN 65.A N GLU 61.A O no hydrogen 3.286 N/A ILE 66.A N ILE 62.A O no hydrogen 3.024 N/A LEU 67.A N ASP 63.A O no hydrogen 2.964 N/A SER 68.A N.A LEU 64.A O no hydrogen 2.958 N/A SER 68.A N.B LEU 64.A O no hydrogen 2.977 N/A SER 68.A OG.B GLN 65.A O no hydrogen 2.643 N/A LYS 69.A N GLN 65.A O no hydrogen 3.246 N/A LYS 69.A NZ ASP 33.A OD1 no hydrogen 2.875 N/A VAL 70.A N ILE 66.A O no hydrogen 3.067 N/A GLN 71.A N LEU 67.A O no hydrogen 2.872 N/A GLN 71.A NE2 ASN 102.A O no hydrogen 3.327 N/A ALA 72.A N SER 68.A O.A no hydrogen 3.181 N/A ALA 72.A N SER 68.A O.B no hydrogen 3.025 N/A GLN 73.A N LYS 69.A O no hydrogen 3.134 N/A GLN 73.A NE2 GLY 41.A O no hydrogen 3.393 N/A TYR 74.A N VAL 70.A O no hydrogen 2.947 N/A TYR 74.A OH ASP 45.A OD1 no hydrogen 2.771 N/A VAL 77.A N TYR 74.A O no hydrogen 3.171 N/A ASN 79.A N ILE 50.A O no hydrogen 2.837 N/A ASN 79.A ND2 GLU 81.A OE2 no hydrogen 3.167 N/A ASN 80.A N LYS 107.A O no hydrogen 2.791 N/A GLU 81.A N ILE 52.A O no hydrogen 2.914 N/A VAL 82.A N ALA 109.A O no hydrogen 2.756 N/A VAL 83.A N SER 54.A O no hydrogen 2.841 N/A GLU 84.A N HIS 111.A O no hydrogen 3.075 N/A SER 86.A N GLU 84.A OE2 no hydrogen 3.091 N/A GLN 89.A N SER 86.A OG no hydrogen 3.089 N/A ILE 90.A N SER 86.A O no hydrogen 2.992 N/A ALA 91.A N ALA 87.A O no hydrogen 2.867 N/A LYS 92.A N GLU 88.A O no hydrogen 3.232 N/A TYR 93.A N GLN 89.A O no hydrogen 2.910 N/A TYR 93.A OH ASP 63.A OD1 no hydrogen 2.724 N/A LYS 94.A N ILE 90.A O no hydrogen 2.862 N/A GLU 95.A N ALA 91.A O no hydrogen 3.043 N/A LEU 96.A N LYS 92.A O no hydrogen 2.952 N/A VAL 97.A N TYR 93.A O no hydrogen 3.033 N/A ALA 98.A N LYS 94.A O no hydrogen 2.965 N/A LYS 99.A N LEU 96.A O no hydrogen 3.202 N/A THR 100.A N VAL 97.A O no hydrogen 3.069 N/A THR 100.A OG1 LEU 96.A O no hydrogen 2.700 N/A VAL 106.A N LEU 103.A O no hydrogen 2.983 N/A LYS 107.A N ILE 78.A O no hydrogen 2.798 N/A ALA 109.A N ASN 80.A O no hydrogen 3.243 N/A HIS 111.A N VAL 82.A O no hydrogen 2.719 N/A HIS 111.A NE2 GLU 81.A OE1 no hydrogen 2.640 N/A GLU 113.A N HIS 111.A O no hydrogen 2.980 N/A THR 114.A N GLU 117.A OE1 no hydrogen 2.907 N/A GLU 117.A N THR 114.A OG1 no hydrogen 3.102 N/A TYR 118.A N THR 114.A O no hydrogen 2.964 N/A GLN 119.A N SER 115.A O no hydrogen 2.848 N/A SER 120.A N SER 116.A O no hydrogen 2.999 N/A SER 120.A OG SER 116.A O no hydrogen 3.176 N/A SER 120.A OG GLU 117.A O no hydrogen 2.871 N/A ARG 121.A N GLU 117.A O no hydrogen 2.774 N/A ARG 121.A NE GLU 113.A OE1 no hydrogen 3.337 N/A ARG 121.A NE GLU 113.A OE2 no hydrogen 2.856 N/A ARG 121.A NH2 GLU 113.A OE1 no hydrogen 2.649 N/A MET 122.A N TYR 118.A O no hydrogen 2.780 N/A LEU 123.A N GLN 119.A O no hydrogen 2.998 N/A GLU 124.A N ARG 121.A O no hydrogen 2.975 N/A LYS 125.A N MET 122.A O no hydrogen 3.112 N/A TRP 131.A N LEU 156.A O no hydrogen 2.688 N/A ASP 132.A N LYS 51.A O no hydrogen 2.851 N/A PHE 133.A N LYS 51.A O no hydrogen 3.213 N/A ILE 134.A N LYS 162.A O no hydrogen 3.125 N/A HIS 135.A N LEU 53.A O no hydrogen 2.953 N/A MET 136.A N LEU 164.A O no hydrogen 2.914 N/A GLN 138.A N ILE 166.A O no hydrogen 2.779 N/A GLN 138.A NE2 GLU 24.A OE1 no hydrogen 2.779 N/A TYR 141.A OH GLN 138.A OE1 no hydrogen 2.571 N/A TYR 142.A N MET 139.A O no hydrogen 2.964 N/A VAL 143.A N LEU 140.A O no hydrogen 3.070 N/A ALA 148.A N ASP 145.A OD2 no hydrogen 3.211 N/A THR 149.A N ASP 145.A O no hydrogen 3.110 N/A THR 149.A OG1 ASP 145.A O no hydrogen 2.894 N/A LEU 150.A N ILE 146.A O no hydrogen 2.773 N/A LYS 151.A N PRO 147.A O no hydrogen 2.986 N/A PHE 152.A N ALA 148.A O no hydrogen 2.900 N/A PHE 153.A N THR 149.A O no hydrogen 2.959 N/A HIS 154.A N LEU 150.A O no hydrogen 2.963 N/A HIS 154.A NE2 ALA 286.A OXT no hydrogen 2.828 N/A SER 155.A N LYS 151.A O no hydrogen 3.039 N/A SER 155.A OG PHE 152.A O no hydrogen 2.474 N/A LEU 156.A N PHE 153.A O no hydrogen 2.969 N/A LEU 157.A N HIS 154.A O no hydrogen 3.131 N/A GLY 158.A N TRP 131.A O no hydrogen 2.826 N/A ALA 161.A N GLY 158.A O no hydrogen 3.112 N/A LYS 162.A N ASP 132.A O no hydrogen 3.383 N/A LYS 162.A NZ GLU 285.A OE1 no hydrogen 2.550 N/A MET 163.A N ILE 284.A O no hydrogen 2.985 N/A LEU 164.A N ILE 134.A O no hydrogen 2.842 N/A ILE 165.A N ILE 282.A O no hydrogen 2.844 N/A ILE 166.A N MET 136.A O no hydrogen 3.171 N/A VAL 167.A N SER 280.A O no hydrogen 3.337 N/A VAL 168.A N TYR 141.A OH no hydrogen 3.003 N/A SER 169.A N THR 278.A O no hydrogen 2.794 N/A SER 169.A OG SER 171.A OG no hydrogen 3.074 N/A SER 169.A OG ASP 214.A OD1 no hydrogen 2.542 N/A GLY 170.A N SER 196.A OG no hydrogen 2.937 N/A SER 171.A N SER 169.A OG no hydrogen 3.049 N/A SER 171.A OG SER 169.A OG no hydrogen 3.074 N/A SER 172.A N SER 169.A O no hydrogen 2.942 N/A SER 172.A OG SER 169.A O no hydrogen 2.845 N/A GLY 173.A N ASN 276.A O no hydrogen 2.935 N/A TRP 174.A NE1 ASN 277.A OD1 no hydrogen 2.731 N/A ASP 175.A N SER 172.A O no hydrogen 3.224 N/A ASP 175.A N SER 172.A OG no hydrogen 3.363 N/A LYS 176.A NZ GLY 170.A O no hydrogen 2.879 N/A LYS 176.A NZ ASP 175.A OD1 no hydrogen 2.964 N/A LEU 177.A N GLY 173.A O no hydrogen 2.743 N/A TRP 178.A N TRP 174.A O no hydrogen 2.843 N/A LYS 179.A N ASP 175.A O no hydrogen 2.971 N/A LYS 179.A NZ ASP 175.A OD2 no hydrogen 3.090 N/A LYS 180.A N LYS 176.A O no hydrogen 3.125 N/A LYS 180.A NZ ASP 259.A OD1 no hydrogen 3.202 N/A LYS 180.A NZ ASP 259.A OD2 no hydrogen 2.982 N/A TYR 181.A N LEU 177.A O no hydrogen 2.812 N/A TYR 181.A OH GLU 255.A OE2 no hydrogen 3.278 N/A TYR 181.A OH ASP 259.A OD2 no hydrogen 2.369 N/A GLY 182.A N TRP 178.A O no hydrogen 2.685 N/A ARG 184.A N TYR 181.A O no hydrogen 3.005 N/A ARG 184.A NH2 GLU 255.A OE2 no hydrogen 3.015 N/A PHE 185.A N GLY 182.A O no hydrogen 3.374 N/A CYS 191.A N.A ASP 188.A O no hydrogen 3.131 N/A CYS 191.A N.B ASP 188.A O no hydrogen 3.145 N/A CYS 191.A SG.A TYR 141.A O no hydrogen 3.670 N/A CYS 191.A SG.B ASP 188.A O no hydrogen 3.880 N/A CYS 191.A SG.B GLU 241.A OE2 no hydrogen 3.241 N/A GLN 192.A N TYR 141.A O no hydrogen 2.934 N/A GLN 192.A NE2 VAL 143.A O no hydrogen 2.859 N/A GLN 192.A NE2 LYS 144.A O no hydrogen 3.414 N/A TYR 193.A OH GLY 182.A O no hydrogen 3.268 N/A THR 195.A N ASP 198.A OD2 no hydrogen 2.942 N/A THR 195.A OG1 ASP 198.A OD2 no hydrogen 3.521 N/A SER 196.A N VAL 168.A O no hydrogen 2.957 N/A SER 196.A OG SER 280.A OG no hydrogen 2.990 N/A ASP 197.A N THR 195.A OG1 no hydrogen 3.182 N/A LEU 199.A N.A THR 195.A O no hydrogen 3.173 N/A LEU 199.A N.B THR 195.A O no hydrogen 3.159 N/A THR 200.A N SER 196.A O no hydrogen 2.831 N/A THR 200.A OG1 SER 196.A O no hydrogen 3.090 N/A THR 200.A OG1 ASP 197.A O no hydrogen 3.262 N/A GLN 201.A N ASP 197.A O no hydrogen 3.244 N/A GLN 201.A NE2 ASP 197.A OD1 no hydrogen 2.750 N/A MET 202.A N ASP 198.A O no hydrogen 3.074 N/A LEU 203.A N LEU 199.A O.A no hydrogen 2.813 N/A LEU 203.A N LEU 199.A O.B no hydrogen 2.851 N/A ASP 204.A N THR 200.A O no hydrogen 2.747 N/A ASN 205.A N GLN 201.A O no hydrogen 2.905 N/A LEU 206.A N MET 202.A O no hydrogen 2.908 N/A GLY 207.A N ASP 204.A O no hydrogen 2.986 N/A LEU 208.A N LEU 203.A O no hydrogen 3.111 N/A TYR 210.A OH ASP 204.A OD1 no hydrogen 2.831 N/A GLU 211.A N VAL 283.A O no hydrogen 3.042 N/A TYR 213.A N.A PHE 281.A O no hydrogen 2.852 N/A TYR 213.A N.B PHE 281.A O no hydrogen 2.864 N/A TYR 213.A OH.A GLU 211.A OE1 no hydrogen 3.030 N/A LEU 215.A N LEU 279.A O no hydrogen 2.936 N/A SER 217.A OG THR 23.A OG1 no hydrogen 2.896 N/A THR 218.A N THR 23.A OG1 no hydrogen 3.032 N/A MET 219.A N PHE 275.A O no hydrogen 3.002 N/A ASP 220.A N HIS 21.A O no hydrogen 2.779 N/A ILE 221.A N VAL 273.A O no hydrogen 2.854 N/A SER 222.A N ASP 220.A OD1 no hydrogen 2.807 N/A SER 222.A OG ASP 220.A OD1 no hydrogen 2.842 N/A SER 222.A OG ASP 220.A OD2 no hydrogen 3.130 N/A CYS 224.A N ILE 221.A O no hydrogen 3.130 N/A CYS 224.A SG GLY 232.A O no hydrogen 3.438 N/A PHE 225.A N SER 222.A O no hydrogen 3.272 N/A ILE 226.A N ASP 223.A O no hydrogen 3.179 N/A ASN 229.A N ILE 226.A O no hydrogen 2.982 N/A ASP 233.A N ASN 229.A O no hydrogen 3.142 N/A LEU 234.A N GLU 230.A O no hydrogen 3.200 N/A LEU 234.A N ASN 231.A O no hydrogen 2.835 N/A LEU 235.A N ASN 231.A O no hydrogen 3.104 N/A TRP 236.A N GLY 232.A O no hydrogen 3.045 N/A TRP 236.A NE1 CYS 224.A O no hydrogen 3.014 N/A ASP 237.A N.A ASP 233.A O no hydrogen 3.231 N/A ASP 237.A N.B ASP 233.A O no hydrogen 3.219 N/A PHE 238.A N LEU 234.A O no hydrogen 3.190 N/A LEU 239.A N LEU 235.A O no hydrogen 2.825 N/A THR 240.A N TRP 236.A O no hydrogen 2.955 N/A THR 240.A OG1 TRP 236.A O no hydrogen 2.671 N/A THR 240.A OG1 ASP 237.A O.A no hydrogen 3.294 N/A THR 240.A OG1 ASP 237.A O.B no hydrogen 3.320 N/A THR 240.A OG1 THR 242.A OG1 no hydrogen 3.202 N/A GLU 241.A N PHE 238.A O no hydrogen 2.987 N/A THR 242.A N ASP 237.A O.A no hydrogen 3.041 N/A THR 242.A N ASP 237.A O.B no hydrogen 3.030 N/A THR 242.A N THR 240.A OG1 no hydrogen 3.373 N/A THR 242.A OG1 THR 240.A OG1 no hydrogen 3.202 N/A PHE 244.A N ASP 237.A OD1.A no hydrogen 3.085 N/A ALA 246.A N ASN 243.A O no hydrogen 2.899 N/A THR 247.A N ASN 243.A O no hydrogen 3.173 N/A THR 247.A OG1 ASN 243.A O no hydrogen 3.327 N/A ALA 248.A N PHE 244.A O no hydrogen 2.975 N/A ARG 253.A N PRO 249.A O no hydrogen 3.110 N/A ALA 254.A N PRO 250.A O no hydrogen 3.059 N/A GLU 255.A N ASP 251.A O no hydrogen 2.973 N/A LEU 256.A N LEU 252.A O no hydrogen 2.895 N/A GLY 257.A N ARG 253.A O no hydrogen 2.846 N/A LYS 258.A N ALA 254.A O no hydrogen 3.309 N/A ASP 259.A N GLU 255.A O no hydrogen 3.205 N/A LEU 260.A N LEU 256.A O no hydrogen 2.814 N/A GLN 261.A N LYS 258.A O no hydrogen 2.937 N/A GLU 262.A N ASP 259.A O no hydrogen 3.012 N/A PHE 265.A N GLU 262.A O no hydrogen 2.806 N/A SER 266.A N GLU 262.A O no hydrogen 2.832 N/A SER 266.A OG LEU 260.A O no hydrogen 2.753 N/A ALA 267.A N LEU 274.A O no hydrogen 3.096 N/A LYS 269.A N LYS 272.A O no hydrogen 3.029 N/A LYS 272.A N LYS 269.A O no hydrogen 2.721 N/A VAL 273.A N SER 222.A OG no hydrogen 2.938 N/A LEU 274.A N ALA 267.A O no hydrogen 2.974 N/A PHE 275.A N MET 219.A O no hydrogen 2.943 N/A ASN 276.A N PHE 265.A O no hydrogen 2.908 N/A ASN 277.A N SER 217.A O no hydrogen 2.537 N/A ASN 277.A ND2 GLU 24.A OE2 no hydrogen 3.075 N/A ASN 277.A ND2 SER 217.A OG no hydrogen 3.108 N/A THR 278.A N ASN 276.A OD1 no hydrogen 2.767 N/A THR 278.A OG1 ASN 276.A OD1 no hydrogen 2.281 N/A LEU 279.A N LEU 215.A O no hydrogen 3.089 N/A SER 280.A N VAL 167.A O no hydrogen 2.863 N/A SER 280.A OG SER 196.A OG no hydrogen 2.990 N/A SER 280.A OG ASP 214.A OD2 no hydrogen 2.584 N/A PHE 281.A N TYR 213.A O.A no hydrogen 2.702 N/A PHE 281.A N TYR 213.A O.B no hydrogen 2.724 N/A ILE 282.A N ILE 165.A O no hydrogen 2.845 N/A VAL 283.A N GLU 211.A O no hydrogen 2.886 N/A ILE 284.A N MET 163.A O no hydrogen 2.790 N/A GLU 285.A N LYS 209.A O no hydrogen 3.052 N/A ALA 286.A N ALA 161.A O no hydrogen 3.295 N/A