Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ajj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ALA 1.A O no hydrogen 3.025 N/A LEU 6.A N LEU 2.A O no hydrogen 2.964 N/A ILE 7.A N LYS 3.A O no hydrogen 2.739 N/A ASN 9.A ND2 LEU 11.A O no hydrogen 3.026 N/A GLN 18.A N ASP 44.A OD2 no hydrogen 2.832 N/A ASN 19.A N ASP 44.A OD1 no hydrogen 2.827 N/A LYS 20.A NZ GLU 45.A OE2 no hydrogen 2.968 N/A LYS 20.A NZ VAL 83.A O no hydrogen 2.662 N/A LYS 20.A NZ ALA 85.A O no hydrogen 2.835 N/A ILE 21.A N GLU 45.A O no hydrogen 3.014 N/A THR 22.A N LEU 89.A O no hydrogen 2.967 N/A THR 22.A OG1 SER 87.A OG no hydrogen 2.650 N/A VAL 23.A N ALA 47.A O no hydrogen 2.854 N/A VAL 24.A N ILE 91.A O no hydrogen 2.721 N/A GLY 25.A N VAL 49.A O no hydrogen 2.748 N/A VAL 26.A N ASP 50.A OD2 no hydrogen 2.768 N/A MET 31.A N GLY 27.A O no hydrogen 2.923 N/A ALA 32.A N ALA 28.A O no hydrogen 2.990 N/A CYS 33.A N VAL 29.A O no hydrogen 2.929 N/A CYS 33.A SG VAL 29.A O no hydrogen 3.336 N/A ALA 34.A N GLY 30.A O no hydrogen 2.915 N/A ILE 35.A N MET 31.A O no hydrogen 2.890 N/A SER 36.A N ALA 32.A O no hydrogen 3.028 N/A SER 36.A OG ALA 32.A O no hydrogen 2.845 N/A ILE 37.A N CYS 33.A O no hydrogen 2.933 N/A LEU 38.A N ALA 34.A O no hydrogen 2.989 N/A MET 39.A N ILE 35.A O no hydrogen 2.920 N/A LYS 40.A N SER 36.A O no hydrogen 3.100 N/A LYS 40.A N ILE 37.A O no hydrogen 3.299 N/A LYS 40.A NZ GLU 259.A OE1 no hydrogen 3.403 N/A ASP 41.A N LEU 38.A O no hydrogen 3.332 N/A ASP 44.A N ASN 19.A O no hydrogen 3.262 N/A LEU 46.A N LYS 74.A O no hydrogen 2.927 N/A ALA 47.A N ILE 21.A O no hydrogen 2.973 N/A LEU 48.A N VAL 76.A O no hydrogen 2.898 N/A VAL 49.A N VAL 23.A O no hydrogen 3.086 N/A VAL 51.A N ASP 50.A OD1 no hydrogen 2.750 N/A ILE 52.A N ASP 50.A OD1 no hydrogen 3.279 N/A LYS 55.A NZ GLU 59.A OE2 no hydrogen 2.684 N/A LEU 56.A N ILE 52.A O no hydrogen 3.008 N/A LYS 57.A N GLU 53.A O no hydrogen 3.039 N/A GLY 58.A N ASP 54.A O no hydrogen 2.959 N/A GLU 59.A N LYS 55.A O no hydrogen 3.030 N/A MET 60.A N LEU 56.A O no hydrogen 3.096 N/A MET 61.A N LYS 57.A O no hydrogen 2.904 N/A ASP 62.A N GLY 58.A O no hydrogen 2.926 N/A LEU 63.A N GLU 59.A O no hydrogen 3.066 N/A GLN 64.A N MET 60.A O no hydrogen 2.876 N/A GLN 64.A NE2 ILE 75.A O no hydrogen 2.902 N/A HIS 65.A N MET 61.A O no hydrogen 2.970 N/A GLY 66.A N LEU 63.A O no hydrogen 2.985 N/A SER 67.A N GLN 64.A O no hydrogen 3.032 N/A SER 67.A OG GLN 64.A O no hydrogen 2.593 N/A PHE 69.A N GLY 66.A O no hydrogen 2.871 N/A LEU 70.A N SER 67.A O no hydrogen 3.052 N/A THR 72.A OG1 ALA 43.A O no hydrogen 3.166 N/A VAL 76.A N LEU 46.A O no hydrogen 2.856 N/A SER 78.A N LEU 48.A O no hydrogen 3.179 N/A ASP 80.A N SER 78.A OG no hydrogen 3.015 N/A SER 82.A N ASP 80.A OD1 no hydrogen 3.011 N/A SER 82.A OG ASP 80.A OD1 no hydrogen 2.996 N/A VAL 83.A N ASP 80.A O no hydrogen 3.249 N/A THR 84.A N TYR 81.A O no hydrogen 2.859 N/A THR 84.A OG1 TYR 81.A O no hydrogen 2.628 N/A ALA 85.A N SER 82.A O no hydrogen 3.269 N/A ASN 86.A N TYR 125.A O no hydrogen 3.422 N/A SER 87.A N SER 126.A OG no hydrogen 2.942 N/A SER 87.A OG THR 22.A OG1 no hydrogen 2.650 N/A SER 87.A OG THR 84.A O no hydrogen 2.668 N/A LYS 88.A N LYS 20.A O no hydrogen 2.817 N/A LYS 88.A NZ GLN 18.A O no hydrogen 3.497 N/A LEU 89.A N LYS 20.A O no hydrogen 3.474 N/A VAL 90.A N LYS 130.A O no hydrogen 2.968 N/A ILE 91.A N THR 22.A O no hydrogen 2.839 N/A ILE 92.A N LEU 132.A O no hydrogen 2.917 N/A THR 93.A N VAL 24.A O no hydrogen 2.873 N/A THR 93.A OG1 VAL 24.A O no hydrogen 2.861 N/A THR 93.A OG1 GLY 25.A O no hydrogen 3.282 N/A ALA 96.A N ASN 111.A OD1 no hydrogen 2.761 N/A GLN 98.A NE2 GLU 102.A O no hydrogen 3.042 N/A GLN 99.A NE2 ARG 97.A O no hydrogen 3.028 N/A GLU 102.A N GLN 99.A O no hydrogen 3.097 N/A LEU 105.A N SER 103.A OG no hydrogen 2.950 N/A ASN 106.A N SER 103.A O no hydrogen 3.208 N/A ASN 106.A ND2 GLU 102.A OE1 no hydrogen 3.009 N/A LEU 107.A N ARG 104.A O no hydrogen 3.191 N/A GLN 109.A NE2.A GLN 109.A O.A no hydrogen 3.210 N/A GLN 109.A NE2.A ASN 113.A OD1 no hydrogen 2.943 N/A ARG 110.A NH2 ASN 106.A O no hydrogen 2.807 N/A ASN 111.A N LEU 107.A O no hydrogen 3.157 N/A ASN 111.A ND2 ALA 96.A O no hydrogen 3.050 N/A ASN 111.A ND2 ASN 136.A O no hydrogen 2.772 N/A VAL 112.A N VAL 108.A O no hydrogen 2.917 N/A ASN 113.A N GLN 109.A O.A no hydrogen 3.006 N/A ASN 113.A N GLN 109.A O.B no hydrogen 3.006 N/A ILE 114.A N ARG 110.A O no hydrogen 3.077 N/A PHE 115.A N ASN 111.A O no hydrogen 2.934 N/A LYS 116.A N VAL 112.A O no hydrogen 3.035 N/A LYS 116.A N ASN 113.A O no hydrogen 3.262 N/A PHE 117.A N ILE 114.A O no hydrogen 2.993 N/A ILE 118.A N ILE 114.A O no hydrogen 3.052 N/A ILE 119.A N PHE 115.A O no hydrogen 3.024 N/A ASN 121.A ND2 PHE 117.A O no hydrogen 2.913 N/A VAL 122.A N ILE 118.A O no hydrogen 2.931 N/A VAL 123.A N ILE 119.A O no hydrogen 2.982 N/A LYS 124.A N PRO 120.A O no hydrogen 2.964 N/A LYS 124.A NZ TYR 125.A OH no hydrogen 3.216 N/A TYR 125.A N ASN 121.A O no hydrogen 3.487 N/A SER 126.A N VAL 122.A O no hydrogen 2.923 N/A CYS 129.A N SER 126.A O no hydrogen 3.202 N/A CYS 129.A SG SER 126.A O no hydrogen 3.392 N/A CYS 129.A SG LYS 130.A O no hydrogen 3.721 N/A LYS 130.A N LYS 88.A O no hydrogen 3.064 N/A LYS 130.A NZ GLN 295.A O no hydrogen 2.787 N/A LEU 131.A N ARG 155.A O no hydrogen 2.707 N/A LEU 132.A N VAL 90.A O no hydrogen 2.813 N/A ILE 133.A N ILE 157.A O no hydrogen 2.711 N/A VAL 134.A N ILE 92.A O no hydrogen 2.903 N/A SER 135.A N ILE 92.A O no hydrogen 3.254 N/A SER 135.A OG ILE 92.A O no hydrogen 3.213 N/A SER 135.A OG ALA 94.A O no hydrogen 2.641 N/A VAL 138.A N ASN 136.A OD1 no hydrogen 3.276 N/A LEU 141.A N PRO 137.A O no hydrogen 2.953 N/A THR 142.A N VAL 138.A O no hydrogen 2.966 N/A THR 142.A OG1 VAL 138.A O no hydrogen 2.615 N/A TYR 143.A N ASP 139.A O no hydrogen 3.325 N/A VAL 144.A N ILE 140.A O no hydrogen 2.868 N/A ALA 145.A N LEU 141.A O no hydrogen 2.815 N/A TRP 146.A N THR 142.A O no hydrogen 2.852 N/A LYS 147.A N TYR 143.A O no hydrogen 2.905 N/A ILE 148.A N VAL 144.A O no hydrogen 2.905 N/A SER 149.A N ALA 145.A O no hydrogen 2.879 N/A SER 149.A OG ALA 145.A O no hydrogen 2.883 N/A SER 149.A OG TRP 146.A O no hydrogen 3.211 N/A GLY 150.A N TRP 146.A O no hydrogen 3.239 N/A PHE 151.A N SER 149.A OG no hydrogen 3.115 N/A ASN 154.A ND2 ASN 296.A O no hydrogen 2.768 N/A ARG 155.A N PRO 152.A O no hydrogen 3.018 N/A ARG 155.A NH1 PRO 127.A O no hydrogen 3.245 N/A ARG 155.A NH1 CYS 129.A O no hydrogen 2.863 N/A VAL 156.A N LYS 153.A O no hydrogen 3.281 N/A ILE 157.A N LEU 131.A O no hydrogen 2.899 N/A GLY 158.A N SER 272.A O no hydrogen 3.166 N/A SER 159.A N ILE 133.A O no hydrogen 2.819 N/A SER 159.A OG ILE 133.A O no hydrogen 3.352 N/A CYS 161.A N SER 288.A OG no hydrogen 2.909 N/A CYS 161.A SG GLY 189.A O no hydrogen 3.507 N/A CYS 161.A SG GLU 190.A O no hydrogen 3.550 N/A ASN 162.A N SER 159.A O no hydrogen 3.180 N/A ASN 162.A ND2 SER 253.A O no hydrogen 3.302 N/A ASN 162.A ND2 SER 253.A OG no hydrogen 2.964 N/A ASN 162.A ND2 ASP 256.A OD2 no hydrogen 3.041 N/A SER 165.A N CYS 161.A O no hydrogen 2.915 N/A SER 165.A OG CYS 161.A O no hydrogen 3.149 N/A ALA 166.A N ASN 162.A O no hydrogen 3.107 N/A ARG 167.A N LEU 163.A O no hydrogen 2.768 N/A PHE 168.A N ASP 164.A O no hydrogen 2.853 N/A ARG 169.A N SER 165.A O no hydrogen 2.893 N/A ARG 169.A NE PRO 180.A O no hydrogen 3.264 N/A ARG 169.A NE CYS 183.A O no hydrogen 2.699 N/A ARG 169.A NH2 PRO 180.A O no hydrogen 3.231 N/A ARG 169.A NH2 LEU 181.A O no hydrogen 3.223 N/A TYR 170.A N ALA 166.A O no hydrogen 2.904 N/A LEU 171.A N ARG 167.A O no hydrogen 2.996 N/A MET 172.A N PHE 168.A O no hydrogen 2.961 N/A GLY 173.A N ARG 169.A O no hydrogen 2.897 N/A GLU 174.A N.A TYR 170.A O no hydrogen 2.906 N/A GLU 174.A N.B TYR 170.A O no hydrogen 2.902 N/A ARG 175.A N LEU 171.A O no hydrogen 3.119 N/A ARG 175.A NH1 GLU 223.A O no hydrogen 3.389 N/A LEU 176.A N MET 172.A O no hydrogen 3.014 N/A GLY 177.A N GLY 173.A O no hydrogen 2.814 N/A VAL 178.A N GLY 173.A O no hydrogen 3.009 N/A LEU 181.A N HIS 179.A ND1 no hydrogen 3.085 N/A SER 182.A N HIS 179.A O no hydrogen 2.918 N/A CYS 183.A N PRO 180.A O no hydrogen 3.092 N/A CYS 183.A SG VAL 178.A O no hydrogen 4.042 N/A CYS 183.A SG HIS 179.A O no hydrogen 3.756 N/A HIS 184.A N ASN 203.A O no hydrogen 2.927 N/A VAL 187.A N SER 165.A OG no hydrogen 3.036 N/A LEU 188.A N VAL 196.A O no hydrogen 2.844 N/A GLY 189.A N SER 288.A O no hydrogen 2.885 N/A GLU 190.A N SER 317.A OG no hydrogen 2.862 N/A HIS 191.A N ASP 139.A OD2 no hydrogen 2.822 N/A HIS 191.A ND1 ASP 164.A OD1 no hydrogen 2.477 N/A SER 194.A N GLU 190.A OE1 no hydrogen 3.118 N/A SER 194.A OG GLU 190.A OE1 no hydrogen 2.600 N/A SER 194.A OG SER 317.A OG no hydrogen 2.854 N/A SER 195.A N GLY 192.A O no hydrogen 3.231 N/A SER 195.A OG GLY 192.A O no hydrogen 3.504 N/A SER 195.A OG HIS 229.A NE2 no hydrogen 2.724 N/A VAL 196.A N LEU 188.A O no hydrogen 2.721 N/A VAL 198.A N TRP 186.A O no hydrogen 2.864 N/A SER 200.A N GLU 310.A OE2 no hydrogen 2.944 N/A SER 200.A OG GLU 310.A OE1 no hydrogen 2.718 N/A SER 200.A OG GLU 310.A OE2 no hydrogen 3.236 N/A GLY 201.A N VAL 198.A O no hydrogen 3.079 N/A VAL 202.A N TRP 199.A O no hydrogen 3.245 N/A ASN 203.A N HIS 184.A O no hydrogen 2.900 N/A ASN 203.A ND2 GLY 201.A O no hydrogen 2.930 N/A VAL 204.A N VAL 207.A O no hydrogen 3.192 N/A GLY 206.A N ASN 203.A OD1 no hydrogen 3.175 N/A VAL 207.A N VAL 204.A O no hydrogen 2.927 N/A LEU 209.A N VAL 202.A O no hydrogen 2.941 N/A SER 211.A N SER 208.A O no hydrogen 3.155 N/A SER 211.A N SER 208.A OG no hydrogen 3.206 N/A SER 211.A OG SER 208.A O no hydrogen 2.549 N/A LEU 212.A N LEU 209.A O no hydrogen 2.991 N/A ASN 213.A N LEU 209.A O no hydrogen 2.914 N/A ASN 213.A ND2 ASP 221.A OD1 no hydrogen 2.902 N/A LEU 216.A N ASN 213.A O no hydrogen 2.914 N/A GLY 217.A N ASP 221.A OD2 no hydrogen 3.036 N/A THR 218.A N GLN 215.A O no hydrogen 2.924 N/A THR 218.A OG1 GLN 215.A O no hydrogen 2.661 N/A ASP 221.A N THR 218.A O no hydrogen 3.352 N/A GLU 223.A N ASP 221.A OD1 no hydrogen 3.043 N/A GLN 224.A N ASP 221.A O no hydrogen 2.958 N/A GLN 224.A NE2 ASP 219.A O no hydrogen 2.717 N/A GLN 224.A NE2 ASP 221.A O no hydrogen 2.727 N/A TRP 225.A N ASP 221.A OD2 no hydrogen 2.943 N/A LYS 226.A NZ ASP 219.A OD1 no hydrogen 2.997 N/A ASP 227.A N GLN 224.A O no hydrogen 3.063 N/A VAL 228.A N TRP 225.A O no hydrogen 2.875 N/A HIS 229.A NE2 SER 195.A OG no hydrogen 2.724 N/A LYS 230.A N LYS 226.A O no hydrogen 2.869 N/A LYS 230.A NZ ASP 234.A OD2 no hydrogen 2.796 N/A GLN 231.A N ASP 227.A O no hydrogen 2.851 N/A VAL 232.A N VAL 228.A O no hydrogen 3.043 N/A VAL 233.A N HIS 229.A O no hydrogen 2.835 N/A ASP 234.A N LYS 230.A O no hydrogen 2.882 N/A SER 235.A N VAL 232.A O no hydrogen 3.386 N/A SER 235.A OG VAL 232.A O no hydrogen 2.742 N/A TYR 237.A OH ASP 193.A OD1 no hydrogen 2.606 N/A GLU 238.A N ASP 234.A O no hydrogen 3.009 N/A VAL 239.A N SER 235.A O no hydrogen 2.965 N/A ILE 240.A N ALA 236.A O no hydrogen 2.853 N/A LYS 241.A N TYR 237.A O no hydrogen 2.968 N/A LEU 242.A N GLU 238.A O no hydrogen 2.978 N/A LYS 243.A N VAL 239.A O no hydrogen 2.781 N/A LYS 243.A NZ SER 247.A OG no hydrogen 3.091 N/A GLY 244.A N ILE 240.A O no hydrogen 2.748 N/A GLY 251.A N SER 247.A O no hydrogen 2.945 N/A LEU 252.A N TRP 248.A O no hydrogen 3.121 N/A SER 253.A N ALA 249.A O no hydrogen 2.921 N/A VAL 254.A N ILE 250.A O no hydrogen 2.819 N/A ALA 255.A N GLY 251.A O no hydrogen 2.953 N/A ASP 256.A N LEU 252.A O no hydrogen 2.959 N/A LEU 257.A N SER 253.A O no hydrogen 3.092 N/A ALA 258.A N VAL 254.A O no hydrogen 2.806 N/A GLU 259.A N ALA 255.A O no hydrogen 2.872 N/A SER 260.A N ASP 256.A O no hydrogen 3.258 N/A SER 260.A OG HIS 269.A NE2 no hydrogen 2.688 N/A ILE 261.A N LEU 257.A O no hydrogen 3.065 N/A MET 262.A N ALA 258.A O no hydrogen 2.790 N/A LYS 263.A N GLU 259.A O no hydrogen 2.895 N/A ASN 264.A N ILE 261.A O no hydrogen 3.300 N/A LEU 265.A N SER 260.A O no hydrogen 2.950 N/A ARG 266.A N LEU 293.A O no hydrogen 2.935 N/A ARG 266.A NH2 ASP 300.A OD1 no hydrogen 3.057 N/A ARG 267.A NH1 ASP 256.A OD1 no hydrogen 3.007 N/A ARG 267.A NH2 ASP 256.A OD1 no hydrogen 2.866 N/A HIS 269.A N CYS 291.A O no hydrogen 2.889 N/A HIS 269.A ND1 ASN 162.A OD1 no hydrogen 3.045 N/A HIS 269.A NE2 SER 260.A OG no hydrogen 2.688 N/A ILE 271.A N VAL 289.A O no hydrogen 3.322 N/A SER 272.A N GLY 158.A O no hydrogen 2.941 N/A SER 272.A OG ASP 139.A OD1 no hydrogen 2.729 N/A THR 273.A N LEU 287.A O no hydrogen 3.174 N/A ILE 275.A N VAL 285.A O no hydrogen 2.959 N/A LYS 276.A NZ ASP 284.A OD1 no hydrogen 3.188 N/A GLY 277.A N ILE 281.A O no hydrogen 2.881 N/A LEU 278.A N ILE 275.A O no hydrogen 3.124 N/A TYR 279.A OH VAL 304.A O no hydrogen 2.838 N/A ILE 281.A N LEU 278.A O no hydrogen 3.080 N/A LEU 287.A N THR 273.A O no hydrogen 3.155 N/A SER 288.A N GLY 189.A O no hydrogen 3.062 N/A VAL 289.A N ILE 271.A O no hydrogen 3.431 N/A CYS 291.A N HIS 269.A O no hydrogen 2.789 N/A CYS 291.A SG ILE 271.A O no hydrogen 3.939 N/A CYS 291.A SG VAL 289.A O no hydrogen 3.407 N/A ILE 292.A N ASP 300.A O no hydrogen 2.846 N/A LEU 293.A N ARG 267.A O no hydrogen 3.045 N/A GLY 294.A N GLY 297.A O no hydrogen 3.019 N/A GLN 295.A N ASN 264.A OD1 no hydrogen 2.985 N/A GLY 297.A N GLY 294.A O no hydrogen 2.943 N/A ILE 298.A N ASN 154.A O no hydrogen 2.911 N/A SER 299.A N ILE 292.A O no hydrogen 3.356 N/A SER 299.A OG ASP 300.A OD1 no hydrogen 2.685 N/A VAL 302.A N PRO 290.A O no hydrogen 2.872 N/A THR 307.A N GLU 310.A OE1 no hydrogen 3.069 N/A GLU 310.A N THR 307.A OG1 no hydrogen 3.403 N/A GLU 311.A N THR 307.A O no hydrogen 2.811 N/A ALA 312.A N PRO 308.A O no hydrogen 2.943 N/A ARG 313.A N ASP 309.A O no hydrogen 3.021 N/A ARG 313.A NE ASP 309.A OD1 no hydrogen 2.898 N/A LEU 314.A N GLU 310.A O no hydrogen 2.957 N/A LYS 315.A N GLU 311.A O no hydrogen 2.953 N/A LYS 316.A N ALA 312.A O no hydrogen 2.966 N/A SER 317.A N ARG 313.A O no hydrogen 3.007 N/A SER 317.A OG SER 194.A O no hydrogen 3.321 N/A SER 317.A OG SER 194.A OG no hydrogen 2.854 N/A ALA 318.A N LEU 314.A O no hydrogen 2.984 N/A ASP 319.A N LYS 315.A O no hydrogen 2.829 N/A THR 320.A N LYS 316.A O no hydrogen 2.966 N/A THR 320.A OG1 LYS 316.A O no hydrogen 2.872 N/A LEU 321.A N SER 317.A O no hydrogen 3.100 N/A TRP 322.A N ALA 318.A O no hydrogen 2.952 N/A GLY 323.A N ASP 319.A O no hydrogen 2.980 N/A GLN 325.A N LEU 321.A O no hydrogen 2.933 N/A GLN 325.A NE2 ASP 284.A O no hydrogen 3.039 N/A LYS 326.A N TRP 322.A O no hydrogen 2.752 N/A LEU 328.A N GLN 325.A O no hydrogen 3.177 N/A