Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aal_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 64.A OE2 no hydrogen 3.257 N/A LYS 2.A NZ ASP 252.A O no hydrogen 2.742 N/A LYS 2.A NZ ASP 252.A OD1 no hydrogen 3.299 N/A GLY 4.A N LYS 255.A O no hydrogen 2.849 N/A SER 5.A OG HIS 6.A O no hydrogen 2.991 N/A HIS 6.A N LEU 257.A O no hydrogen 3.157 N/A HIS 6.A NE2 TYR 273.A OH no hydrogen 2.844 N/A VAL 7.A N MET 31.A O no hydrogen 2.984 N/A SER 8.A N GLU 21.A OE1 no hydrogen 2.832 N/A SER 8.A OG SER 10.A OG no hydrogen 2.809 N/A SER 10.A OG SER 8.A OG no hydrogen 2.809 N/A LYS 13.A NZ GLU 20.A OE1 no hydrogen 2.575 N/A MET 14.A N SER 10.A O no hydrogen 3.287 N/A LEU 15.A N LEU 48.A O no hydrogen 3.004 N/A LEU 16.A N LYS 13.A O no hydrogen 3.037 N/A ALA 18.A N MET 14.A O no hydrogen 3.133 N/A SER 19.A N LEU 15.A O no hydrogen 2.972 N/A GLU 20.A N LEU 16.A O no hydrogen 2.941 N/A GLU 21.A N ALA 17.A O no hydrogen 2.864 N/A ALA 22.A N ALA 18.A O no hydrogen 2.949 N/A ALA 23.A N SER 19.A O no hydrogen 2.858 N/A SER 24.A N GLU 20.A O no hydrogen 2.973 N/A SER 24.A OG GLU 21.A O no hydrogen 2.661 N/A TYR 25.A N ALA 22.A O no hydrogen 2.975 N/A TYR 25.A OH GLU 21.A OE2 no hydrogen 2.590 N/A GLY 26.A N ALA 23.A O no hydrogen 3.003 N/A ALA 27.A N ALA 22.A O no hydrogen 3.110 N/A ASN 28.A N ILE 3.A O no hydrogen 3.177 N/A ASN 28.A ND2 LEU 1.A O no hydrogen 3.605 N/A ASN 28.A ND2 ILE 3.A O no hydrogen 3.073 N/A THR 29.A OG1 GLU 64.A O no hydrogen 2.668 N/A MET 31.A N SER 5.A O no hydrogen 3.062 N/A ILE 32.A N VAL 66.A O no hydrogen 2.965 N/A THR 34.A OG1 GLU 94.A OE1 no hydrogen 2.640 N/A THR 34.A OG1 GLU 94.A OE2 no hydrogen 3.192 N/A ASN 39.A N ALA 36.A O no hydrogen 3.477 N/A ASN 39.A ND2 LYS 41.A O no hydrogen 3.479 N/A ARG 42.A NE THR 34.A OG1 no hydrogen 2.716 N/A ARG 42.A NH1 ALA 36.A O no hydrogen 3.126 N/A ARG 42.A NH1 LYS 41.A O no hydrogen 2.835 N/A ARG 42.A NH2 ALA 36.A O no hydrogen 2.873 N/A SER 44.A N GLU 47.A OE2 no hydrogen 2.983 N/A SER 44.A OG GLU 46.A OE1 no hydrogen 2.925 N/A SER 44.A OG GLU 47.A OE2 no hydrogen 3.013 N/A GLU 47.A N SER 44.A O no hydrogen 3.083 N/A LEU 48.A N ILE 45.A O no hydrogen 2.980 N/A ASN 49.A N GLU 46.A O no hydrogen 3.412 N/A GLY 53.A N ASN 49.A O no hydrogen 3.079 N/A ARG 54.A N ILE 50.A O no hydrogen 2.815 N/A ARG 54.A NH1 ILE 101.A O no hydrogen 3.012 N/A GLN 55.A N GLU 51.A O no hydrogen 2.955 N/A GLN 55.A NE2 GLU 51.A OE1 no hydrogen 3.340 N/A HIS 56.A N ALA 52.A O no hydrogen 3.045 N/A MET 57.A N GLY 53.A O no hydrogen 2.866 N/A GLN 58.A N ARG 54.A O no hydrogen 3.023 N/A ALA 59.A N GLN 55.A O no hydrogen 3.108 N/A HIS 60.A N MET 57.A O no hydrogen 2.981 N/A GLY 61.A N GLN 58.A O no hydrogen 3.526 N/A ILE 62.A N MET 57.A O no hydrogen 2.964 N/A GLU 63.A N ASN 28.A O no hydrogen 3.088 N/A VAL 66.A N PHE 30.A O no hydrogen 2.964 N/A VAL 67.A N GLN 105.A O no hydrogen 3.048 N/A HIS 68.A N ILE 32.A O no hydrogen 2.813 N/A HIS 68.A ND1 ALA 69.A O no hydrogen 2.693 N/A HIS 68.A NE2 GLU 144.A OE2 no hydrogen 3.233 N/A ALA 69.A N VAL 107.A O no hydrogen 2.778 N/A TYR 71.A N PRO 37.A O no hydrogen 3.080 N/A ILE 73.A N PRO 70.A O no hydrogen 3.246 N/A ASN 74.A ND2 ALA 112.A O no hydrogen 2.887 N/A GLY 76.A N ASN 74.A OD1 no hydrogen 2.851 N/A ASN 77.A N ASN 74.A O no hydrogen 3.268 N/A THR 79.A N ASN 77.A OD1 no hydrogen 2.793 N/A ASN 80.A N ASN 77.A OD1 no hydrogen 2.794 N/A PHE 84.A N ASN 80.A O no hydrogen 3.321 N/A SER 85.A N LEU 81.A O no hydrogen 3.025 N/A SER 85.A OG LEU 81.A O no hydrogen 3.271 N/A SER 85.A OG ASP 82.A O no hydrogen 3.435 N/A LEU 86.A N ASP 82.A O no hydrogen 2.795 N/A GLY 87.A N THR 83.A O no hydrogen 2.927 N/A VAL 88.A N PHE 84.A O no hydrogen 2.997 N/A ASP 89.A N SER 85.A O no hydrogen 3.009 N/A PHE 90.A N LEU 86.A O no hydrogen 2.891 N/A LEU 91.A N GLY 87.A O no hydrogen 2.927 N/A ARG 92.A N VAL 88.A O no hydrogen 3.113 N/A ARG 92.A NH1 GLU 131.A O no hydrogen 3.133 N/A ALA 93.A N ASP 89.A O no hydrogen 3.191 N/A GLU 94.A N PHE 90.A O no hydrogen 2.720 N/A ILE 95.A N LEU 91.A O no hydrogen 2.928 N/A GLU 96.A N ARG 92.A O no hydrogen 3.377 N/A ARG 97.A N ALA 93.A O no hydrogen 2.987 N/A ARG 97.A NH1 GLU 94.A OE1 no hydrogen 3.073 N/A THR 98.A N GLU 94.A O no hydrogen 2.840 N/A THR 98.A OG1 GLU 94.A O no hydrogen 2.790 N/A GLU 99.A N ILE 95.A O no hydrogen 2.969 N/A ALA 100.A N GLU 96.A O no hydrogen 2.990 N/A ILE 101.A N ARG 97.A O no hydrogen 2.933 N/A GLY 102.A N THR 98.A O no hydrogen 3.111 N/A GLY 102.A N GLU 99.A O no hydrogen 3.116 N/A ALA 103.A N THR 98.A O no hydrogen 3.215 N/A GLN 105.A NE2 GLN 140.A OE1 no hydrogen 2.969 N/A LEU 106.A N GLN 140.A O no hydrogen 2.954 N/A VAL 107.A N VAL 67.A O no hydrogen 2.720 N/A LEU 108.A N ALA 142.A O no hydrogen 2.970 N/A ALA 112.A N ASN 74.A OD1 no hydrogen 2.876 N/A HIS 113.A N SER 151.A O no hydrogen 2.997 N/A VAL 114.A N SER 151.A OG no hydrogen 2.759 N/A GLY 115.A N HIS 113.A ND1 no hydrogen 3.064 N/A ALA 116.A N HIS 113.A O no hydrogen 2.935 N/A GLY 117.A N HIS 113.A ND1 no hydrogen 2.984 N/A GLY 121.A N GLY 117.A O no hydrogen 3.055 N/A LEU 122.A N VAL 118.A O no hydrogen 2.800 N/A ARG 123.A N GLU 119.A O no hydrogen 3.120 N/A GLN 124.A N ALA 120.A O no hydrogen 3.077 N/A ILE 125.A N GLY 121.A O no hydrogen 2.937 N/A ILE 126.A N LEU 122.A O no hydrogen 3.114 N/A ARG 127.A N ARG 123.A O no hydrogen 3.040 N/A GLY 128.A N GLN 124.A O no hydrogen 2.866 N/A LEU 129.A N ILE 125.A O no hydrogen 2.905 N/A ASN 130.A N ILE 126.A O no hydrogen 2.958 N/A ASN 130.A ND2 GLY 166.A O no hydrogen 3.149 N/A GLU 131.A N ARG 127.A O no hydrogen 3.130 N/A GLU 131.A N GLY 128.A O no hydrogen 3.030 N/A VAL 132.A N GLY 128.A O no hydrogen 2.953 N/A VAL 132.A N LEU 129.A O no hydrogen 3.138 N/A LEU 133.A N LEU 129.A O no hydrogen 2.950 N/A ARG 135.A NE ASP 171.A OD1 no hydrogen 3.276 N/A ARG 135.A NH2 ASP 171.A OD1 no hydrogen 2.725 N/A GLN 137.A N THR 134.A OG1 no hydrogen 3.080 N/A GLN 137.A NE2 THR 134.A O no hydrogen 3.652 N/A ASN 138.A N GLU 99.A OE1 no hydrogen 3.113 N/A GLN 140.A N LYS 104.A O no hydrogen 2.857 N/A GLN 140.A NE2 ASP 171.A O no hydrogen 3.078 N/A ILE 141.A N LYS 172.A O no hydrogen 2.880 N/A ALA 142.A N LEU 106.A O no hydrogen 2.776 N/A LEU 143.A N SER 174.A O no hydrogen 2.831 N/A GLU 144.A N LEU 108.A O no hydrogen 2.911 N/A THR 145.A N CYS 176.A O no hydrogen 2.918 N/A THR 145.A OG1 CYS 176.A O no hydrogen 3.365 N/A MET 146.A N GLY 154.A O no hydrogen 2.889 N/A GLY 148.A N GLU 152.A OE1 no hydrogen 2.998 N/A LYS 149.A N GLU 152.A OE1 no hydrogen 3.004 N/A LYS 149.A NZ GLU 152.A OE2 no hydrogen 2.819 N/A LYS 149.A NZ ASP 226.A OD1 no hydrogen 2.771 N/A GLU 152.A N LYS 149.A O no hydrogen 3.036 N/A CYS 153.A N GLY 111.A O no hydrogen 2.795 N/A CYS 153.A SG VAL 118.A O no hydrogen 4.048 N/A GLY 154.A N GLU 159.A OE1 no hydrogen 2.656 N/A ARG 155.A N GLU 159.A OE1 no hydrogen 3.128 N/A PHE 157.A N TYR 187.A OH no hydrogen 2.998 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.718 N/A GLU 159.A N THR 156.A OG1 no hydrogen 3.148 N/A LEU 160.A N THR 156.A O no hydrogen 3.287 N/A ALA 161.A N PHE 157.A O no hydrogen 2.861 N/A TYR 162.A N GLU 158.A O no hydrogen 2.890 N/A ILE 163.A N GLU 159.A O no hydrogen 3.170 N/A ILE 164.A N LEU 160.A O no hydrogen 2.977 N/A ASP 165.A N ALA 161.A O no hydrogen 2.917 N/A GLY 166.A N TYR 162.A O no hydrogen 3.310 N/A GLY 166.A N ILE 163.A O no hydrogen 2.972 N/A VAL 167.A N ILE 164.A O no hydrogen 3.251 N/A ALA 168.A N ASN 130.A OD1 no hydrogen 2.926 N/A ASN 170.A ND2 ILE 164.A O no hydrogen 2.894 N/A LYS 172.A N TYR 169.A O no hydrogen 2.916 N/A LYS 172.A NZ ARG 135.A O no hydrogen 3.181 N/A LYS 172.A NZ GLN 137.A O no hydrogen 2.827 N/A LEU 173.A N ASN 170.A O no hydrogen 3.063 N/A SER 174.A N ILE 141.A O no hydrogen 2.865 N/A SER 174.A OG GLN 105.A OE1 no hydrogen 2.640 N/A SER 174.A OG ILE 141.A O no hydrogen 3.419 N/A VAL 175.A N ARG 208.A O no hydrogen 2.758 N/A CYS 176.A N LEU 143.A O no hydrogen 2.895 N/A CYS 176.A SG VAL 211.A O no hydrogen 3.836 N/A PHE 177.A N VAL 211.A O no hydrogen 2.965 N/A ASP 178.A N THR 145.A OG1 no hydrogen 2.919 N/A THR 179.A N HIS 213.A O no hydrogen 2.923 N/A THR 179.A OG1 HIS 213.A O no hydrogen 3.376 N/A THR 179.A OG1 ASN 215.A O no hydrogen 2.792 N/A HIS 181.A N ASP 178.A OD2 no hydrogen 3.099 N/A HIS 181.A ND1 THR 145.A O no hydrogen 2.813 N/A THR 182.A N ASP 178.A O no hydrogen 3.010 N/A THR 182.A OG1 ASP 178.A O no hydrogen 2.997 N/A THR 182.A OG1 THR 179.A O no hydrogen 3.418 N/A HIS 183.A N THR 179.A O no hydrogen 3.189 N/A HIS 183.A ND1 ASP 184.A OD2 no hydrogen 3.188 N/A ASP 184.A N CYS 180.A O no hydrogen 2.854 N/A ALA 185.A N HIS 181.A O no hydrogen 2.809 N/A GLY 186.A N THR 182.A O no hydrogen 3.133 N/A GLY 186.A N HIS 183.A O no hydrogen 2.927 N/A TYR 187.A N THR 182.A O no hydrogen 2.943 N/A ASN 191.A N ASP 188.A OD2 no hydrogen 2.922 N/A ASP 192.A N ASP 188.A O no hydrogen 2.930 N/A GLY 195.A N ASP 192.A OD2 no hydrogen 2.992 N/A VAL 196.A N ASP 192.A O no hydrogen 3.085 N/A LEU 197.A N PHE 193.A O no hydrogen 2.815 N/A GLU 198.A N ASP 194.A O no hydrogen 2.806 N/A GLU 199.A N GLY 195.A O no hydrogen 2.932 N/A PHE 200.A N VAL 196.A O no hydrogen 2.861 N/A ASP 201.A N LEU 197.A O no hydrogen 2.869 N/A ARG 202.A N GLU 198.A O no hydrogen 2.845 N/A ILE 203.A N GLU 199.A O no hydrogen 2.998 N/A ILE 204.A N PHE 200.A O no hydrogen 2.839 N/A GLY 205.A N PHE 200.A O no hydrogen 2.915 N/A LEU 206.A N ASP 201.A OD1 no hydrogen 2.789 N/A ARG 208.A N GLY 205.A O no hydrogen 2.951 N/A ARG 208.A NH1 ASN 170.A O no hydrogen 2.843 N/A ARG 208.A NH1 LEU 173.A O no hydrogen 2.757 N/A LEU 209.A N LEU 206.A O no hydrogen 2.974 N/A LYS 210.A N VAL 175.A O no hydrogen 3.010 N/A LYS 210.A NZ GLN 140.A OE1 no hydrogen 2.826 N/A LEU 212.A N PRO 254.A O no hydrogen 2.947 N/A HIS 213.A N PHE 177.A O no hydrogen 2.866 N/A HIS 213.A ND1 GLU 144.A OE1 no hydrogen 3.158 N/A ILE 214.A N ILE 256.A O no hydrogen 2.818 N/A ASN 215.A N THR 179.A OG1 no hydrogen 2.884 N/A ASN 215.A ND2 ASP 178.A OD2 no hydrogen 3.361 N/A ASN 215.A ND2 GLU 258.A OE1 no hydrogen 2.999 N/A ASP 216.A N GLU 229.A O no hydrogen 3.042 N/A SER 217.A N ASP 216.A OD1 no hydrogen 2.755 N/A SER 217.A OG ASP 184.A OD2 no hydrogen 2.699 N/A SER 217.A OG ASN 219.A O no hydrogen 3.214 N/A LYS 218.A N ARG 227.A O no hydrogen 2.908 N/A LYS 218.A NZ GLU 229.A OE1 no hydrogen 3.376 N/A LYS 218.A NZ GLU 229.A OE2 no hydrogen 2.860 N/A ASN 219.A N SER 217.A OG no hydrogen 3.111 N/A GLY 222.A N HIS 183.A O no hydrogen 2.914 N/A SER 223.A N PRO 220.A O no hydrogen 3.065 N/A SER 223.A OG PRO 220.A O no hydrogen 2.973 N/A ARG 224.A N ASP 184.A O no hydrogen 2.836 N/A ARG 224.A NE GLY 148.A O no hydrogen 2.810 N/A ARG 224.A NH1 GLY 148.A O no hydrogen 3.132 N/A LYS 225.A N ASP 184.A OD1 no hydrogen 3.298 N/A ASP 226.A N ASP 184.A OD1 no hydrogen 2.668 N/A ARG 227.A NH2 ASP 226.A O no hydrogen 2.853 N/A HIS 228.A ND1 GLU 258.A O no hydrogen 2.857 N/A GLU 229.A N ASP 216.A O no hydrogen 2.867 N/A ASN 230.A N GLU 229.A OE1 no hydrogen 2.863 N/A ILE 231.A N GLU 276.A OE2 no hydrogen 2.997 N/A GLY 232.A N ASP 216.A OD2 no hydrogen 2.928 N/A PHE 233.A N ASN 230.A O no hydrogen 2.988 N/A GLY 234.A N ASP 216.A OD2 no hydrogen 3.080 N/A HIS 235.A N SER 217.A O no hydrogen 2.900 N/A ILE 236.A N ASP 216.A OD1 no hydrogen 2.830 N/A GLY 237.A N ASP 216.A OD1 no hydrogen 3.390 N/A GLY 237.A N ASP 216.A OD2 no hydrogen 3.148 N/A LEU 241.A N GLY 237.A O no hydrogen 3.174 N/A ASN 242.A N PHE 238.A O no hydrogen 2.818 N/A TYR 243.A N ALA 239.A O no hydrogen 3.074 N/A TYR 243.A OH ASP 194.A OD2 no hydrogen 2.579 N/A ILE 244.A N ALA 240.A O no hydrogen 3.034 N/A VAL 245.A N LEU 241.A O no hydrogen 2.963 N/A HIS 246.A N ASN 242.A O no hydrogen 3.007 N/A HIS 246.A NE2 LEU 280.A O no hydrogen 2.867 N/A HIS 247.A N ILE 244.A O no hydrogen 3.184 N/A HIS 247.A NE2 GLN 249.A OE1 no hydrogen 3.214 N/A LEU 250.A N HIS 247.A O no hydrogen 3.022 N/A ILE 253.A N LEU 250.A O no hydrogen 3.169 N/A LYS 255.A N LYS 2.A O no hydrogen 2.922 N/A LYS 255.A NZ VAL 245.A O no hydrogen 3.084 N/A LYS 255.A NZ LEU 250.A O no hydrogen 2.862 N/A ILE 256.A N LEU 212.A O no hydrogen 2.785 N/A LEU 257.A N GLY 4.A O no hydrogen 2.847 N/A GLU 258.A N ASN 215.A OD1 no hydrogen 2.918 N/A THR 259.A OG1 GLU 276.A OE1 no hydrogen 2.526 N/A THR 259.A OG1 GLU 276.A OE2 no hydrogen 3.347 N/A VAL 262.A N LYS 270.A O no hydrogen 2.739 N/A ASN 268.A N ASP 265.A O no hydrogen 2.956 N/A LYS 269.A NZ GLY 263.A O no hydrogen 2.808 N/A LYS 270.A N VAL 262.A O no hydrogen 2.942 N/A TYR 273.A OH THR 259.A O no hydrogen 2.642 N/A HIS 275.A ND1 GLU 298.A O no hydrogen 3.127 N/A GLU 276.A N PRO 272.A O no hydrogen 2.918 N/A ILE 277.A N TYR 273.A O no hydrogen 2.879 N/A ALA 278.A N LYS 274.A O no hydrogen 3.111 N/A MET 279.A N HIS 275.A O no hydrogen 2.935 N/A LEU 280.A N GLU 276.A O no hydrogen 2.925 N/A ARG 281.A N ILE 277.A O no hydrogen 2.925 N/A ARG 281.A NH2 LEU 1.A O no hydrogen 2.824 N/A ALA 282.A N ALA 278.A O no hydrogen 2.988 N/A GLN 283.A N LEU 280.A O no hydrogen 3.289 N/A GLN 288.A N ASP 286.A OD2 no hydrogen 3.034 N/A LEU 289.A N ASP 286.A O no hydrogen 2.959 N/A LYS 292.A N GLN 288.A O no hydrogen 2.934 N/A LYS 292.A NZ ASP 286.A OD1 no hydrogen 2.964 N/A LYS 292.A NZ ASP 286.A OD2 no hydrogen 3.292 N/A ILE 293.A N LEU 289.A O no hydrogen 2.975 N/A ASN 294.A N LEU 290.A O no hydrogen 3.018 N/A ALA 295.A N LYS 292.A O no hydrogen 3.181 N/A GLY 296.A N LYS 292.A O no hydrogen 2.866 N/A ALA 297.A N LYS 292.A O no hydrogen 3.021 N/A