Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5azd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N TYR 78.A O no hydrogen 3.099 N/A SER 6.A N GLU 9.A OE1 no hydrogen 3.363 N/A GLU 9.A N SER 6.A OG no hydrogen 3.351 N/A TYR 10.A N SER 6.A O no hydrogen 3.244 N/A TRP 11.A N PHE 7.A O no hydrogen 3.482 N/A LEU 12.A N GLY 8.A O no hydrogen 3.042 N/A VAL 13.A N GLU 9.A O no hydrogen 3.284 N/A PHE 14.A N TYR 10.A O no hydrogen 2.889 N/A ASN 15.A N TRP 11.A O no hydrogen 2.733 N/A MET 16.A N LEU 12.A O no hydrogen 3.063 N/A LEU 17.A N VAL 13.A O no hydrogen 2.928 N/A SER 18.A N PHE 14.A O no hydrogen 2.974 N/A SER 18.A OG PHE 14.A O no hydrogen 2.698 N/A LEU 19.A N ASN 15.A O no hydrogen 2.693 N/A THR 20.A N MET 16.A O no hydrogen 3.010 N/A THR 20.A OG1 MET 16.A O no hydrogen 2.647 N/A ILE 21.A N LEU 17.A O no hydrogen 3.248 N/A ALA 22.A N SER 18.A O no hydrogen 3.285 N/A GLY 23.A N LEU 19.A O no hydrogen 2.998 N/A MET 24.A N THR 20.A O no hydrogen 3.148 N/A LEU 25.A N ILE 21.A O no hydrogen 3.163 N/A ALA 26.A N ALA 22.A O no hydrogen 2.737 N/A ALA 27.A N GLY 23.A O no hydrogen 3.094 N/A PHE 28.A N MET 24.A O no hydrogen 3.020 N/A VAL 29.A N LEU 25.A O no hydrogen 3.211 N/A PHE 30.A N ALA 26.A O no hydrogen 3.044 N/A PHE 31.A N ALA 27.A O no hydrogen 2.993 N/A LEU 32.A N PHE 28.A O no hydrogen 3.440 N/A LEU 33.A N VAL 29.A O no hydrogen 3.086 N/A ALA 34.A N PHE 30.A O no hydrogen 2.586 N/A ARG 35.A NE LEU 32.A O no hydrogen 3.042 N/A SER 36.A OG LEU 33.A O no hydrogen 3.381 N/A TYR 37.A N ALA 34.A O no hydrogen 2.995 N/A VAL 38.A N ARG 35.A O no hydrogen 3.381 N/A ALA 39.A N SER 245.A OG no hydrogen 2.870 N/A ARG 41.A NH1 LEU 107.A O no hydrogen 3.308 N/A TYR 42.A N ALA 39.A O no hydrogen 3.034 N/A TYR 42.A OH GLU 248.A OE1 no hydrogen 2.781 N/A HIS 43.A N PRO 40.A O no hydrogen 3.222 N/A HIS 43.A NE2 ARG 35.A O no hydrogen 2.811 N/A ALA 45.A N TYR 42.A O no hydrogen 3.174 N/A TYR 47.A N HIS 43.A O no hydrogen 2.815 N/A LEU 48.A N ILE 44.A O no hydrogen 2.878 N/A SER 49.A N ALA 45.A O no hydrogen 2.988 N/A SER 49.A OG ALA 45.A O no hydrogen 3.309 N/A SER 49.A OG GLU 104.A OE1 no hydrogen 2.428 N/A SER 49.A OG GLU 104.A OE2 no hydrogen 3.105 N/A ALA 50.A N LEU 46.A O no hydrogen 2.792 N/A LEU 51.A N TYR 47.A O no hydrogen 2.996 N/A ILE 52.A N LEU 48.A O no hydrogen 2.929 N/A VAL 53.A N SER 49.A O no hydrogen 3.000 N/A PHE 54.A N ALA 50.A O no hydrogen 3.192 N/A ILE 55.A N LEU 51.A O no hydrogen 2.841 N/A ALA 56.A N ILE 52.A O no hydrogen 2.793 N/A GLY 57.A N VAL 53.A O no hydrogen 2.775 N/A TYR 58.A N PHE 54.A O no hydrogen 3.131 N/A HIS 59.A N ILE 55.A O no hydrogen 3.222 N/A HIS 59.A ND1 ILE 55.A O no hydrogen 2.792 N/A TYR 60.A N ALA 56.A O no hydrogen 3.123 N/A TYR 60.A OH ASP 227.A OD2 no hydrogen 3.266 N/A LEU 61.A N GLY 57.A O no hydrogen 3.314 N/A LEU 61.A N TYR 58.A O no hydrogen 3.241 N/A ARG 62.A N TYR 58.A O no hydrogen 3.329 N/A ILE 63.A N HIS 59.A O no hydrogen 3.064 N/A PHE 64.A N TYR 60.A O no hydrogen 2.871 N/A GLU 65.A N LEU 61.A O no hydrogen 2.790 N/A SER 66.A N ARG 62.A O no hydrogen 2.958 N/A SER 66.A OG ARG 62.A O no hydrogen 3.214 N/A TRP 67.A N ILE 63.A O no hydrogen 2.888 N/A VAL 68.A N PHE 64.A O no hydrogen 3.104 N/A GLY 69.A N GLU 65.A O no hydrogen 3.000 N/A ALA 70.A N SER 66.A O no hydrogen 2.895 N/A TYR 71.A N VAL 68.A O no hydrogen 3.234 N/A TYR 71.A OH PRO 3.A O no hydrogen 2.617 N/A TYR 71.A OH GLU 216.A OE2 no hydrogen 2.935 N/A GLN 72.A N VAL 79.A O no hydrogen 3.113 N/A GLN 74.A N VAL 77.A O no hydrogen 2.971 N/A VAL 77.A N GLN 74.A O no hydrogen 3.278 N/A TYR 78.A N LEU 5.A O no hydrogen 2.960 N/A VAL 79.A N GLN 72.A O no hydrogen 2.868 N/A THR 81.A N ALA 70.A O no hydrogen 2.611 N/A THR 81.A OG1 GLY 69.A O no hydrogen 3.053 N/A ARG 90.A N ASP 87.A O no hydrogen 2.935 N/A ARG 90.A NH1 TYR 60.A OH no hydrogen 3.349 N/A ARG 90.A NH1 GLN 220.A OE1 no hydrogen 3.417 N/A ARG 90.A NH2 GLN 220.A OE1 no hydrogen 2.649 N/A TYR 91.A N ASP 87.A O no hydrogen 3.135 N/A ALA 92.A N PHE 88.A O no hydrogen 3.029 N/A TRP 94.A N TYR 91.A O no hydrogen 3.249 N/A LEU 96.A N ASP 93.A O no hydrogen 3.384 N/A THR 97.A N ASP 93.A O no hydrogen 3.018 N/A THR 97.A OG1 ASP 93.A O no hydrogen 2.473 N/A THR 97.A OG1 ASP 93.A OD1 no hydrogen 3.552 N/A VAL 98.A N TRP 94.A O no hydrogen 2.833 N/A LEU 101.A N THR 97.A O no hydrogen 2.871 N/A LEU 102.A N VAL 98.A O no hydrogen 3.474 N/A LEU 103.A N PRO 99.A O no hydrogen 3.038 N/A GLU 104.A N LEU 100.A O no hydrogen 2.847 N/A ILE 106.A N LEU 102.A O no hydrogen 3.432 N/A LEU 107.A N LEU 103.A O no hydrogen 3.228 N/A VAL 108.A N GLU 104.A O no hydrogen 3.174 N/A GLY 110.A N LEU 107.A O no hydrogen 3.452 N/A ARG 115.A NH2 GLU 174.A OE1 no hydrogen 2.526 N/A THR 116.A N THR 112.A O no hydrogen 2.717 N/A THR 116.A OG1 LEU 111.A O no hydrogen 3.019 N/A THR 116.A OG1 THR 112.A O no hydrogen 3.050 N/A TRP 117.A N ALA 113.A O no hydrogen 2.580 N/A ASN 118.A N ALA 114.A O no hydrogen 3.029 N/A LEU 119.A N ARG 115.A O no hydrogen 3.014 N/A SER 120.A N THR 116.A O no hydrogen 2.922 N/A SER 120.A OG THR 116.A O no hydrogen 2.879 N/A ILE 121.A N TRP 117.A O no hydrogen 3.359 N/A LYS 122.A N ASN 118.A O no hydrogen 3.343 N/A LEU 123.A N LEU 119.A O no hydrogen 3.217 N/A VAL 124.A N SER 120.A O no hydrogen 3.087 N/A VAL 125.A N ILE 121.A O no hydrogen 3.103 N/A ALA 126.A N LYS 122.A O no hydrogen 3.232 N/A SER 127.A N LEU 123.A O no hydrogen 2.885 N/A SER 127.A OG LEU 123.A O no hydrogen 3.004 N/A SER 127.A OG VAL 124.A O no hydrogen 2.721 N/A VAL 128.A N VAL 124.A O no hydrogen 3.135 N/A LEU 129.A N VAL 125.A O no hydrogen 3.025 N/A MET 130.A N ALA 126.A O no hydrogen 2.690 N/A LEU 131.A N SER 127.A O no hydrogen 2.892 N/A ALA 132.A N VAL 128.A O no hydrogen 2.871 N/A LEU 133.A N LEU 129.A O no hydrogen 3.114 N/A GLY 134.A N MET 130.A O no hydrogen 2.944 N/A TYR 135.A N LEU 131.A O no hydrogen 2.792 N/A VAL 136.A N ALA 132.A O no hydrogen 3.283 N/A GLU 138.A N GLY 134.A O no hydrogen 3.174 N/A GLU 138.A N TYR 135.A O no hydrogen 3.127 N/A VAL 139.A N TYR 135.A O no hydrogen 3.369 N/A ARG 146.A N GLU 142.A O no hydrogen 3.192 N/A ARG 146.A NE THR 207.A OG1 no hydrogen 2.965 N/A ARG 146.A NH1 ASN 140.A O no hydrogen 3.349 N/A ARG 146.A NH2 GLU 138.A OE1 no hydrogen 3.312 N/A ARG 146.A NH2 TYR 203.A O no hydrogen 3.348 N/A THR 147.A N PRO 143.A O no hydrogen 3.203 N/A THR 147.A N GLY 144.A O no hydrogen 2.949 N/A THR 147.A OG1 PRO 143.A O no hydrogen 2.961 N/A LEU 148.A N GLY 144.A O no hydrogen 3.163 N/A TRP 149.A N PRO 145.A O no hydrogen 3.342 N/A GLY 150.A N ARG 146.A O no hydrogen 3.150 N/A ALA 151.A N THR 147.A O no hydrogen 2.966 N/A LEU 152.A N LEU 148.A O no hydrogen 3.044 N/A SER 153.A N TRP 149.A O no hydrogen 2.949 N/A SER 153.A OG MET 130.A O no hydrogen 2.285 N/A SER 154.A N GLY 150.A O no hydrogen 3.159 N/A SER 154.A OG ALA 151.A O no hydrogen 2.542 N/A PHE 157.A N SER 153.A O no hydrogen 3.397 N/A PHE 158.A N SER 154.A O no hydrogen 2.539 N/A TYR 159.A N ILE 155.A O no hydrogen 3.012 N/A ILE 160.A N PRO 156.A O no hydrogen 2.882 N/A LEU 161.A N PHE 157.A O no hydrogen 3.360 N/A TYR 162.A N PHE 158.A O no hydrogen 2.924 N/A VAL 163.A N TYR 159.A O no hydrogen 2.939 N/A LEU 164.A N ILE 160.A O no hydrogen 3.045 N/A TRP 165.A N LEU 161.A O no hydrogen 3.102 N/A VAL 166.A N TYR 162.A O no hydrogen 2.914 N/A LEU 168.A N VAL 163.A O no hydrogen 2.651 N/A GLN 170.A N VAL 166.A O no hydrogen 2.985 N/A GLN 170.A N GLU 167.A O no hydrogen 3.175 N/A ALA 171.A N GLU 167.A O no hydrogen 3.373 N/A ILE 172.A N LEU 168.A O no hydrogen 3.137 N/A ARG 173.A N GLY 169.A O no hydrogen 3.102 N/A GLU 174.A N GLN 170.A O no hydrogen 3.086 N/A ALA 175.A N ALA 171.A O no hydrogen 2.906 N/A LEU 182.A N GLY 178.A O no hydrogen 3.185 N/A GLU 183.A N PRO 179.A O no hydrogen 2.815 N/A LEU 184.A N ARG 180.A O no hydrogen 3.056 N/A LEU 185.A N VAL 181.A O no hydrogen 2.973 N/A GLY 186.A N LEU 182.A O no hydrogen 2.962 N/A ALA 187.A N GLU 183.A O no hydrogen 3.257 N/A THR 188.A N LEU 184.A O no hydrogen 2.997 N/A THR 188.A OG1 LEU 185.A O no hydrogen 2.749 N/A ARG 189.A N LEU 185.A O no hydrogen 3.261 N/A LEU 190.A N GLY 186.A O no hydrogen 3.271 N/A VAL 191.A N ALA 187.A O no hydrogen 2.849 N/A LEU 192.A N THR 188.A O no hydrogen 2.840 N/A LEU 193.A N ARG 189.A O no hydrogen 2.846 N/A MET 194.A N LEU 190.A O no hydrogen 3.087 N/A SER 195.A N VAL 191.A O no hydrogen 3.102 N/A SER 195.A OG VAL 191.A O no hydrogen 2.530 N/A SER 195.A OG LEU 192.A O no hydrogen 2.928 N/A TRP 196.A N LEU 192.A O no hydrogen 2.738 N/A GLY 197.A N LEU 193.A O no hydrogen 2.781 N/A PHE 198.A N SER 195.A O no hydrogen 3.354 N/A TYR 199.A OH ASP 227.A OD1 no hydrogen 2.242 N/A ALA 202.A N PHE 198.A O no hydrogen 2.687 N/A TYR 203.A N TYR 199.A O no hydrogen 3.066 N/A TYR 203.A OH ARG 146.A O no hydrogen 2.857 N/A ALA 204.A N PRO 200.A O no hydrogen 2.985 N/A LEU 205.A N ILE 201.A O no hydrogen 2.744 N/A GLY 206.A N ALA 202.A O no hydrogen 3.043 N/A THR 207.A N ALA 204.A O no hydrogen 3.186 N/A THR 207.A OG1 TYR 203.A O no hydrogen 3.050 N/A THR 207.A OG1 ALA 204.A O no hydrogen 3.488 N/A TRP 208.A N LEU 205.A O no hydrogen 3.120 N/A LEU 209.A N LEU 205.A O no hydrogen 2.877 N/A GLU 216.A N GLY 212.A O no hydrogen 3.066 N/A VAL 217.A N ALA 213.A O no hydrogen 2.986 N/A ALA 218.A N ALA 214.A O no hydrogen 2.705 N/A ILE 219.A N GLN 215.A O no hydrogen 2.957 N/A GLN 220.A N GLU 216.A O no hydrogen 3.325 N/A ILE 221.A N VAL 217.A O no hydrogen 2.913 N/A GLY 222.A N ALA 218.A O no hydrogen 2.954 N/A TYR 223.A N ILE 219.A O no hydrogen 2.830 N/A SER 224.A N GLN 220.A O no hydrogen 3.231 N/A SER 224.A OG GLN 220.A O no hydrogen 2.986 N/A LEU 225.A N ILE 221.A O no hydrogen 3.016 N/A ALA 226.A N GLY 222.A O no hydrogen 2.950 N/A ASP 227.A N TYR 223.A O no hydrogen 3.032 N/A LEU 228.A N SER 224.A O no hydrogen 2.922 N/A ILE 229.A N LEU 225.A O no hydrogen 3.084 N/A ILE 229.A N ALA 226.A O no hydrogen 3.169 N/A ALA 230.A N ALA 226.A O no hydrogen 2.709 N/A ILE 232.A N LEU 228.A O no hydrogen 3.346 N/A TYR 233.A N ILE 229.A O no hydrogen 3.057 N/A TYR 233.A OH LEU 101.A O no hydrogen 2.712 N/A LEU 235.A N PRO 231.A O no hydrogen 2.723 N/A LEU 236.A N ILE 232.A O no hydrogen 3.111 N/A VAL 237.A N TYR 233.A O no hydrogen 3.067 N/A PHE 238.A N GLY 234.A O no hydrogen 3.001 N/A ALA 239.A N LEU 235.A O no hydrogen 2.937 N/A ILE 240.A N LEU 236.A O no hydrogen 3.117 N/A ALA 241.A N VAL 237.A O no hydrogen 3.138 N/A ARG 242.A N PHE 238.A O no hydrogen 2.758 N/A ARG 242.A NH1 TYR 37.A O no hydrogen 2.707 N/A ALA 243.A N ALA 239.A O no hydrogen 2.713 N/A LYS 244.A N ILE 240.A O no hydrogen 2.856 N/A LYS 244.A NZ GLU 248.A OE2 no hydrogen 2.925 N/A SER 245.A N ALA 241.A O no hydrogen 2.885 N/A SER 245.A OG ALA 241.A O no hydrogen 2.848 N/A LEU 246.A N ARG 242.A O no hydrogen 3.000 N/A GLU 247.A N ALA 243.A O no hydrogen 2.974 N/A GLU 248.A N LYS 244.A O no hydrogen 2.842 N/A GLY 249.A N LEU 246.A O no hydrogen 3.000 N/A PHE 250.A N SER 245.A O no hydrogen 2.549 N/A