Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aqv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N GLY 3.A O no hydrogen 3.107 N/A ILE 7.A N TYR 10.A O no hydrogen 2.945 N/A TYR 10.A N ILE 7.A O no hydrogen 2.902 N/A VAL 11.A N GLU 28.A O no hydrogen 3.000 N/A LEU 12.A N VAL 5.A O no hydrogen 2.711 N/A GLY 13.A N ILE 26.A O no hydrogen 2.694 N/A LEU 16.A N VAL 24.A O no hydrogen 2.806 N/A GLY 17.A N VAL 24.A O no hydrogen 3.377 N/A GLY 19.A N GLY 22.A O no hydrogen 2.814 N/A GLY 22.A N GLY 19.A O no hydrogen 3.373 N/A LYS 23.A N ILE 40.A O no hydrogen 3.307 N/A VAL 24.A N GLY 17.A O no hydrogen 2.915 N/A LYS 25.A N VAL 38.A O no hydrogen 2.746 N/A ILE 26.A N ASP 14.A O no hydrogen 2.806 N/A GLY 27.A N VAL 36.A O no hydrogen 2.866 N/A GLU 28.A N VAL 11.A O no hydrogen 2.896 N/A HIS 29.A N HIS 34.A O no hydrogen 2.786 N/A GLN 30.A N HIS 9.A O no hydrogen 2.891 N/A LEU 31.A N HIS 29.A ND1 no hydrogen 3.337 N/A GLY 33.A N HIS 29.A O no hydrogen 2.772 N/A HIS 34.A N THR 32.A OG1 no hydrogen 3.176 N/A VAL 36.A N GLY 27.A O no hydrogen 3.060 N/A ALA 37.A N MET 87.A O no hydrogen 2.795 N/A VAL 38.A N LYS 25.A O no hydrogen 2.901 N/A LYS 39.A N MET 85.A O no hydrogen 2.959 N/A LYS 39.A NZ ASP 151.A OD1 no hydrogen 2.961 N/A LYS 39.A NZ SER 155.A O no hydrogen 3.232 N/A LYS 39.A NZ SER 155.A OG no hydrogen 2.727 N/A ILE 40.A N LYS 23.A O no hydrogen 2.814 N/A LEU 41.A N PHE 83.A O no hydrogen 2.853 N/A ASN 42.A N PHE 21.A O no hydrogen 2.887 N/A ARG 43.A N THR 81.A O no hydrogen 3.060 N/A ARG 43.A NE THR 79.A O no hydrogen 3.111 N/A ARG 43.A NH2 THR 79.A O no hydrogen 2.719 N/A LYS 45.A N ASN 42.A OD1 no hydrogen 2.902 N/A LYS 45.A NZ THR 20.A O no hydrogen 2.629 N/A ILE 46.A N ASN 42.A O no hydrogen 2.983 N/A ARG 47.A N ARG 43.A O no hydrogen 2.962 N/A SER 48.A N GLN 44.A O no hydrogen 2.878 N/A SER 48.A OG GLN 44.A O no hydrogen 3.159 N/A LEU 49.A N LYS 45.A O no hydrogen 3.198 N/A ASP 50.A N ARG 47.A O no hydrogen 2.879 N/A VAL 51.A N ILE 46.A O no hydrogen 3.168 N/A ILE 55.A N VAL 51.A O no hydrogen 2.965 N/A LYS 56.A N VAL 52.A O no hydrogen 3.049 N/A ARG 57.A N GLY 53.A O no hydrogen 2.962 N/A GLU 58.A N LYS 54.A O no hydrogen 2.961 N/A ILE 59.A N ILE 55.A O no hydrogen 2.967 N/A GLN 60.A N LYS 56.A O no hydrogen 2.991 N/A ASN 61.A N ARG 57.A O no hydrogen 2.957 N/A ASN 61.A ND2 HIS 127.A O no hydrogen 2.903 N/A LEU 62.A N GLU 58.A O no hydrogen 2.909 N/A LYS 63.A N ILE 59.A O no hydrogen 2.957 N/A LEU 64.A N ASN 61.A O no hydrogen 3.097 N/A PHE 65.A N LEU 62.A O no hydrogen 3.125 N/A ARG 66.A N TYR 123.A OH no hydrogen 3.113 N/A HIS 67.A NE2 SER 119.A OG no hydrogen 2.766 N/A HIS 69.A N HIS 67.A ND1 no hydrogen 2.757 N/A HIS 69.A ND1 ALA 147.A O no hydrogen 2.951 N/A ILE 70.A N HIS 67.A O no hydrogen 3.299 N/A ILE 71.A N ILE 149.A O no hydrogen 3.123 N/A LYS 72.A N GLU 88.A OE1 no hydrogen 2.961 N/A TYR 74.A N VAL 86.A O no hydrogen 2.946 N/A GLN 75.A N VAL 86.A O no hydrogen 3.267 N/A ILE 77.A N PHE 84.A O no hydrogen 2.863 N/A THR 79.A N ASP 82.A O no hydrogen 2.949 N/A THR 79.A OG1 ASP 82.A O no hydrogen 3.312 N/A THR 81.A N THR 79.A OG1 no hydrogen 3.249 N/A THR 81.A OG1 ASP 82.A OD1 no hydrogen 2.745 N/A ASP 82.A N THR 79.A OG1 no hydrogen 3.068 N/A PHE 83.A N LEU 41.A O no hydrogen 2.879 N/A PHE 84.A N ILE 77.A O no hydrogen 2.698 N/A MET 85.A N LYS 39.A O no hydrogen 2.775 N/A VAL 86.A N GLN 75.A O no hydrogen 2.607 N/A MET 87.A N ALA 37.A O no hydrogen 2.663 N/A GLU 88.A N LYS 72.A O no hydrogen 2.938 N/A LEU 95.A N VAL 139.A O no hydrogen 2.893 N/A ASP 97.A N GLU 94.A OE2 no hydrogen 3.247 N/A TYR 98.A N GLU 94.A O no hydrogen 3.047 N/A ILE 99.A N LEU 95.A O no hydrogen 3.041 N/A CYS 100.A N PHE 96.A O no hydrogen 2.879 N/A CYS 100.A SG GLU 162.A OE2 no hydrogen 3.196 N/A LYS 101.A N ASP 97.A O no hydrogen 2.810 N/A HIS 102.A N TYR 98.A O no hydrogen 2.703 N/A VAL 105.A N LEU 195.A O no hydrogen 2.949 N/A MET 108.A N GLU 106.A OE2 no hydrogen 2.866 N/A GLU 109.A N GLU 106.A OE1 no hydrogen 3.080 N/A ALA 110.A N GLU 106.A O no hydrogen 2.864 N/A ARG 111.A N GLU 107.A O no hydrogen 2.923 N/A ARG 111.A NH1 TRP 255.A O no hydrogen 2.870 N/A ARG 112.A N MET 108.A O no hydrogen 2.975 N/A ARG 112.A NE GLU 109.A OE2 no hydrogen 3.260 N/A ARG 112.A NH1 MET 145.A O no hydrogen 3.310 N/A ARG 112.A NH2 GLU 109.A OE1 no hydrogen 3.419 N/A ARG 112.A NH2 MET 145.A O no hydrogen 2.810 N/A LEU 113.A N GLU 109.A O no hydrogen 3.058 N/A PHE 114.A N ALA 110.A O no hydrogen 2.825 N/A GLN 115.A N ARG 111.A O no hydrogen 2.989 N/A GLN 115.A NE2 PHE 256.A O no hydrogen 2.820 N/A GLN 115.A NE2 GLN 258.A O no hydrogen 3.104 N/A GLN 116.A N ARG 112.A O no hydrogen 3.192 N/A ILE 117.A N LEU 113.A O no hydrogen 2.997 N/A LEU 118.A N PHE 114.A O no hydrogen 2.979 N/A SER 119.A N GLN 115.A O no hydrogen 3.134 N/A SER 119.A OG HIS 67.A NE2 no hydrogen 2.766 N/A SER 119.A OG LEU 264.A O no hydrogen 2.834 N/A ALA 120.A N GLN 116.A O no hydrogen 3.123 N/A VAL 121.A N ILE 117.A O no hydrogen 2.941 N/A ASP 122.A N LEU 118.A O no hydrogen 3.021 N/A TYR 123.A N SER 119.A O no hydrogen 2.903 N/A CYS 124.A N ALA 120.A O no hydrogen 2.884 N/A CYS 124.A SG ALA 120.A O no hydrogen 3.416 N/A HIS 125.A N VAL 121.A O no hydrogen 2.863 N/A HIS 125.A NE2 ASP 184.A OD1 no hydrogen 2.589 N/A ARG 126.A N ASP 122.A O no hydrogen 3.009 N/A ARG 126.A NH2 GLU 267.A OE1 no hydrogen 3.222 N/A HIS 127.A N TYR 123.A O no hydrogen 2.865 N/A HIS 127.A N CYS 124.A O no hydrogen 3.049 N/A MET 128.A N CYS 124.A O no hydrogen 2.936 N/A LEU 134.A N ASP 184.A OD2 no hydrogen 2.696 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.662 N/A ASN 138.A N LYS 135.A O no hydrogen 2.787 N/A ASN 138.A ND2 ALA 150.A O no hydrogen 3.061 N/A ASN 138.A ND2 ASP 151.A O no hydrogen 3.157 N/A ASN 138.A ND2 ASN 156.A OD1 no hydrogen 2.910 N/A VAL 139.A N PRO 136.A O no hydrogen 3.193 N/A LEU 140.A N LYS 148.A O no hydrogen 2.717 N/A LEU 141.A N GLY 93.A O no hydrogen 2.807 N/A ASP 142.A N ASN 146.A O no hydrogen 2.922 N/A HIS 144.A N ASP 142.A OD1 no hydrogen 2.771 N/A MET 145.A N ASP 142.A O no hydrogen 3.044 N/A ASN 146.A N ASP 142.A OD1 no hydrogen 2.849 N/A ALA 147.A N GLN 116.A OE1 no hydrogen 2.771 N/A LYS 148.A N LEU 140.A O no hydrogen 2.864 N/A LYS 148.A NZ PRO 68.A O no hydrogen 3.108 N/A LYS 148.A NZ GLU 88.A OE2 no hydrogen 3.495 N/A ILE 149.A N HIS 69.A O no hydrogen 2.831 N/A ALA 150.A N ASN 138.A O no hydrogen 2.915 N/A LEU 154.A N GLU 58.A OE2 no hydrogen 2.827 N/A SER 155.A N GLU 58.A OE1 no hydrogen 2.725 N/A SER 155.A OG GLU 58.A OE1 no hydrogen 2.689 N/A SER 155.A OG ASP 151.A OD2 no hydrogen 3.119 N/A ASN 156.A N GLY 153.A O no hydrogen 3.041 N/A MET 158.A N ASN 156.A OD1 no hydrogen 2.939 N/A ASP 160.A N SER 159.A OG no hydrogen 2.596 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.758 N/A VAL 172.A N ALA 169.A O no hydrogen 3.049 N/A ILE 173.A N ALA 169.A O no hydrogen 3.180 N/A SER 174.A N PRO 170.A O no hydrogen 3.027 N/A SER 174.A OG PRO 170.A O no hydrogen 3.135 N/A GLY 175.A N VAL 172.A O no hydrogen 3.158 N/A ARG 176.A N GLU 171.A O no hydrogen 3.025 N/A TYR 178.A OH ASP 133.A OD2 no hydrogen 2.876 N/A GLU 182.A N ALA 179.A O no hydrogen 3.203 N/A VAL 183.A N ALA 179.A O no hydrogen 3.290 N/A ASP 184.A N GLY 180.A O no hydrogen 2.932 N/A ILE 185.A N PRO 181.A O no hydrogen 3.269 N/A TRP 186.A N GLU 182.A O no hydrogen 3.465 N/A SER 187.A N VAL 183.A O no hydrogen 3.023 N/A SER 187.A OG VAL 183.A O no hydrogen 3.350 N/A CYS 188.A N ASP 184.A O no hydrogen 2.925 N/A CYS 188.A SG ASP 184.A O no hydrogen 3.335 N/A GLY 189.A N ILE 185.A O no hydrogen 2.911 N/A VAL 190.A N TRP 186.A O no hydrogen 3.021 N/A ILE 191.A N SER 187.A O no hydrogen 3.018 N/A LEU 192.A N CYS 188.A O no hydrogen 2.746 N/A TYR 193.A N GLY 189.A O no hydrogen 2.942 N/A TYR 193.A OH TYR 220.A O no hydrogen 2.529 N/A ALA 194.A N VAL 190.A O no hydrogen 2.940 N/A LEU 195.A N ILE 191.A O no hydrogen 3.045 N/A LEU 196.A N LEU 192.A O no hydrogen 2.900 N/A CYS 197.A N TYR 193.A O no hydrogen 2.846 N/A GLY 198.A N ALA 194.A O no hydrogen 2.761 N/A THR 199.A OG1 LEU 200.A O no hydrogen 3.256 N/A HIS 206.A ND1 THR 209.A OG1 no hydrogen 2.711 N/A THR 209.A OG1 HIS 206.A ND1 no hydrogen 2.711 N/A THR 209.A OG1 HIS 206.A O no hydrogen 3.051 N/A LEU 210.A N HIS 206.A O no hydrogen 3.087 N/A LYS 212.A N PRO 208.A O no hydrogen 2.830 N/A LYS 213.A N THR 209.A O no hydrogen 2.487 N/A LYS 213.A NZ LYS 213.A O no hydrogen 2.219 N/A LYS 213.A NZ VAL 218.A O no hydrogen 3.552 N/A ILE 214.A N LEU 210.A O no hydrogen 2.627 N/A ARG 215.A N PHE 211.A O no hydrogen 2.818 N/A GLY 216.A N LYS 212.A O no hydrogen 2.542 N/A GLY 217.A N LYS 213.A O no hydrogen 2.539 N/A LEU 225.A N PRO 222.A O no hydrogen 3.118 N/A ALA 230.A N ASN 226.A O no hydrogen 3.358 N/A THR 231.A N ARG 227.A O no hydrogen 3.116 N/A THR 231.A OG1 SER 228.A O no hydrogen 3.012 N/A LEU 233.A N VAL 229.A O no hydrogen 2.994 N/A MET 234.A N ALA 230.A O no hydrogen 3.077 N/A HIS 235.A N THR 231.A O no hydrogen 2.965 N/A MET 236.A N LEU 232.A O no hydrogen 3.017 N/A LEU 237.A N LEU 233.A O no hydrogen 2.848 N/A LEU 242.A N ASP 240.A OD1 no hydrogen 3.203 N/A LYS 243.A N ASP 240.A O no hydrogen 2.453 N/A ARG 244.A N PRO 241.A O no hydrogen 3.497 N/A ARG 244.A NE GLN 238.A O no hydrogen 2.866 N/A ARG 244.A NH1 GLU 171.A OE1 no hydrogen 3.384 N/A ARG 244.A NH1 GLU 171.A OE2 no hydrogen 2.867 N/A ARG 244.A NH1 GLU 182.A O no hydrogen 3.034 N/A ARG 244.A NH2 GLU 171.A OE1 no hydrogen 2.897 N/A ARG 244.A NH2 GLN 238.A O no hydrogen 2.908 N/A ALA 245.A N HIS 235.A O no hydrogen 2.807 N/A THR 246.A N ASP 249.A OD2 no hydrogen 3.143 N/A ASP 249.A N THR 246.A OG1 no hydrogen 3.249 N/A ILE 250.A N THR 246.A O no hydrogen 2.931 N/A ARG 251.A N ILE 247.A O no hydrogen 2.861 N/A GLU 252.A N LYS 248.A O no hydrogen 3.178 N/A GLU 252.A N ASP 249.A O no hydrogen 3.078 N/A HIS 253.A N ASP 249.A O no hydrogen 3.145 N/A HIS 253.A N ILE 250.A O no hydrogen 3.145 N/A HIS 253.A NE2 SER 228.A O no hydrogen 2.510 N/A TRP 255.A NE1 GLU 107.A OE2 no hydrogen 2.868 N/A PHE 256.A N HIS 253.A O no hydrogen 3.000 N/A LYS 257.A N HIS 253.A O no hydrogen 2.963 N/A LYS 257.A NZ GLU 254.A OE1 no hydrogen 3.002 N/A LEU 264.A N PRO 261.A O no hydrogen 3.160 N/A PHE 265.A N SER 262.A O no hydrogen 3.042 N/A