Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ajn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ALA 1.A O no hydrogen 3.112 N/A GLN 5.A N LEU 2.A O no hydrogen 3.006 N/A LEU 6.A N LEU 2.A O no hydrogen 3.069 N/A LEU 6.A N LYS 3.A O no hydrogen 3.190 N/A ILE 7.A N LYS 3.A O no hydrogen 2.766 N/A ASN 9.A ND2 LEU 11.A O no hydrogen 2.896 N/A GLN 17.A N ASP 43.A OD2 no hydrogen 3.066 N/A GLN 17.A NE2 VAL 15.A O no hydrogen 3.640 N/A ASN 18.A N ASP 43.A OD1 no hydrogen 2.761 N/A LYS 19.A NZ GLU 44.A OE2 no hydrogen 3.029 N/A LYS 19.A NZ VAL 82.A O no hydrogen 2.568 N/A LYS 19.A NZ ALA 84.A O no hydrogen 2.857 N/A ILE 20.A N GLU 44.A O no hydrogen 3.057 N/A THR 21.A N LEU 88.A O no hydrogen 2.951 N/A THR 21.A OG1 SER 86.A OG no hydrogen 2.748 N/A VAL 22.A N ALA 46.A O no hydrogen 2.829 N/A VAL 23.A N ILE 90.A O no hydrogen 2.834 N/A GLY 24.A N VAL 48.A O no hydrogen 2.758 N/A VAL 25.A N ASP 49.A OD2 no hydrogen 2.848 N/A MET 30.A N GLY 26.A O no hydrogen 3.022 N/A ALA 31.A N ALA 27.A O no hydrogen 3.066 N/A CYS 32.A N VAL 28.A O no hydrogen 2.934 N/A CYS 32.A SG VAL 28.A O no hydrogen 3.279 N/A ALA 33.A N GLY 29.A O no hydrogen 2.889 N/A ILE 34.A N MET 30.A O no hydrogen 2.936 N/A SER 35.A N ALA 31.A O no hydrogen 3.027 N/A SER 35.A OG ALA 31.A O no hydrogen 2.922 N/A ILE 36.A N CYS 32.A O no hydrogen 2.844 N/A LEU 37.A N ALA 33.A O no hydrogen 2.859 N/A MET 38.A N ILE 34.A O no hydrogen 2.875 N/A LYS 39.A N SER 35.A O no hydrogen 3.038 N/A LYS 39.A N ILE 36.A O no hydrogen 3.217 N/A LYS 39.A NZ GLU 258.A OE1 no hydrogen 3.167 N/A ASP 40.A N LEU 37.A O no hydrogen 3.362 N/A ASP 43.A N ASN 18.A O no hydrogen 3.119 N/A LEU 45.A N LYS 73.A O no hydrogen 2.909 N/A ALA 46.A N ILE 20.A O no hydrogen 3.105 N/A LEU 47.A N VAL 75.A O no hydrogen 3.003 N/A VAL 48.A N VAL 22.A O no hydrogen 3.077 N/A VAL 50.A N ASP 49.A OD1 no hydrogen 2.688 N/A ILE 51.A N ASP 49.A OD1 no hydrogen 3.453 N/A LYS 54.A NZ GLU 58.A OE2 no hydrogen 2.863 N/A LEU 55.A N ILE 51.A O no hydrogen 3.122 N/A LYS 56.A N GLU 52.A O no hydrogen 2.885 N/A GLY 57.A N ASP 53.A O no hydrogen 2.775 N/A GLU 58.A N LYS 54.A O no hydrogen 2.887 N/A MET 59.A N LEU 55.A O no hydrogen 3.139 N/A MET 60.A N LYS 56.A O no hydrogen 2.967 N/A ASP 61.A N GLY 57.A O no hydrogen 2.979 N/A LEU 62.A N GLU 58.A O no hydrogen 3.110 N/A GLN 63.A N MET 59.A O no hydrogen 2.951 N/A GLN 63.A NE2 ILE 74.A O no hydrogen 3.078 N/A HIS 64.A N MET 60.A O no hydrogen 2.883 N/A GLY 65.A N LEU 62.A O no hydrogen 2.970 N/A SER 66.A N GLN 63.A O no hydrogen 2.920 N/A SER 66.A OG GLN 63.A O no hydrogen 2.925 N/A PHE 68.A N GLY 65.A O no hydrogen 2.669 N/A LEU 69.A N SER 66.A O no hydrogen 3.141 N/A THR 71.A OG1 ALA 42.A O no hydrogen 2.958 N/A VAL 75.A N LEU 45.A O no hydrogen 2.861 N/A SER 77.A N LEU 47.A O no hydrogen 3.186 N/A ASP 79.A N SER 77.A OG no hydrogen 2.922 N/A SER 81.A N ASP 79.A OD1 no hydrogen 3.047 N/A SER 81.A OG ASP 79.A OD1 no hydrogen 3.183 N/A VAL 82.A N ASP 79.A O no hydrogen 3.304 N/A THR 83.A N TYR 80.A O no hydrogen 2.882 N/A THR 83.A OG1 TYR 80.A O no hydrogen 2.662 N/A ALA 84.A N SER 81.A O no hydrogen 3.415 N/A ASN 85.A N TYR 124.A O no hydrogen 3.317 N/A SER 86.A N SER 125.A OG no hydrogen 2.959 N/A SER 86.A OG THR 21.A OG1 no hydrogen 2.748 N/A SER 86.A OG THR 83.A O no hydrogen 2.530 N/A LYS 87.A N LYS 19.A O no hydrogen 2.849 N/A VAL 89.A N LYS 129.A O no hydrogen 2.986 N/A ILE 90.A N THR 21.A O no hydrogen 2.770 N/A ILE 91.A N LEU 131.A O no hydrogen 2.871 N/A THR 92.A N VAL 23.A O no hydrogen 2.801 N/A THR 92.A OG1 VAL 23.A O no hydrogen 2.695 N/A THR 92.A OG1 GLY 24.A O no hydrogen 3.260 N/A ALA 95.A N ASN 110.A OD1 no hydrogen 2.666 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 2.748 N/A GLU 101.A N GLN 98.A O no hydrogen 3.091 N/A LEU 104.A N SER 102.A OG no hydrogen 2.819 N/A ASN 105.A N SER 102.A O no hydrogen 3.213 N/A LEU 106.A N ARG 103.A O no hydrogen 2.924 N/A VAL 107.A N LEU 104.A O no hydrogen 3.441 N/A GLN 108.A NE2.A ASN 112.A OD1 no hydrogen 3.407 N/A ARG 109.A NH2 ASN 105.A O no hydrogen 2.805 N/A ASN 110.A N LEU 106.A O no hydrogen 3.169 N/A ASN 110.A ND2 ALA 95.A O no hydrogen 3.166 N/A ASN 110.A ND2 ASN 135.A O no hydrogen 2.699 N/A VAL 111.A N VAL 107.A O no hydrogen 2.964 N/A ASN 112.A N GLN 108.A O.A no hydrogen 3.171 N/A ASN 112.A N GLN 108.A O.B no hydrogen 3.135 N/A ILE 113.A N ARG 109.A O no hydrogen 3.319 N/A PHE 114.A N ASN 110.A O no hydrogen 2.848 N/A LYS 115.A N VAL 111.A O no hydrogen 2.951 N/A PHE 116.A N ILE 113.A O no hydrogen 2.839 N/A ILE 117.A N ILE 113.A O no hydrogen 2.990 N/A ILE 118.A N PHE 114.A O no hydrogen 3.029 N/A ASN 120.A ND2 PHE 116.A O no hydrogen 3.051 N/A VAL 121.A N ILE 117.A O no hydrogen 3.011 N/A VAL 122.A N ILE 118.A O no hydrogen 2.984 N/A LYS 123.A N PRO 119.A O no hydrogen 2.919 N/A LYS 123.A NZ TYR 124.A OH no hydrogen 3.555 N/A TYR 124.A N VAL 121.A O no hydrogen 3.232 N/A SER 125.A N VAL 121.A O no hydrogen 2.920 N/A CYS 128.A N SER 125.A O no hydrogen 3.324 N/A CYS 128.A SG SER 125.A O no hydrogen 3.329 N/A LYS 129.A N LYS 87.A O no hydrogen 2.912 N/A LYS 129.A NZ GLN 294.A O no hydrogen 2.664 N/A LEU 130.A N ARG 154.A O no hydrogen 2.723 N/A LEU 131.A N VAL 89.A O no hydrogen 2.936 N/A ILE 132.A N ILE 156.A O no hydrogen 2.748 N/A VAL 133.A N ILE 91.A O no hydrogen 2.932 N/A SER 134.A N ILE 91.A O no hydrogen 3.256 N/A SER 134.A OG ILE 91.A O no hydrogen 3.193 N/A SER 134.A OG ALA 93.A O no hydrogen 2.534 N/A VAL 137.A N ASN 135.A OD1 no hydrogen 3.122 N/A LEU 140.A N PRO 136.A O no hydrogen 2.968 N/A THR 141.A N VAL 137.A O no hydrogen 2.811 N/A THR 141.A OG1 VAL 137.A O no hydrogen 2.698 N/A TYR 142.A N ASP 138.A O no hydrogen 3.295 N/A VAL 143.A N ILE 139.A O no hydrogen 2.919 N/A ALA 144.A N LEU 140.A O no hydrogen 2.892 N/A TRP 145.A N THR 141.A O no hydrogen 2.890 N/A LYS 146.A N TYR 142.A O no hydrogen 2.907 N/A ILE 147.A N VAL 143.A O no hydrogen 2.809 N/A SER 148.A N ALA 144.A O no hydrogen 2.821 N/A SER 148.A OG ALA 144.A O no hydrogen 2.960 N/A SER 148.A OG TRP 145.A O no hydrogen 3.123 N/A GLY 149.A N TRP 145.A O no hydrogen 3.089 N/A PHE 150.A N SER 148.A OG no hydrogen 2.964 N/A ASN 153.A ND2 ASN 295.A O no hydrogen 2.823 N/A ARG 154.A N PRO 151.A O no hydrogen 3.069 N/A ARG 154.A NE CYS 128.A O no hydrogen 3.013 N/A ARG 154.A NH2 PRO 126.A O no hydrogen 2.844 N/A ARG 154.A NH2 CYS 128.A O no hydrogen 3.051 N/A VAL 155.A N LYS 152.A O no hydrogen 3.289 N/A ILE 156.A N LEU 130.A O no hydrogen 2.765 N/A GLY 157.A N SER 271.A O no hydrogen 3.224 N/A SER 158.A N ILE 132.A O no hydrogen 2.756 N/A SER 158.A OG ILE 132.A O no hydrogen 3.522 N/A CYS 160.A N PRO 269.A O no hydrogen 3.216 N/A CYS 160.A N SER 287.A OG no hydrogen 2.959 N/A CYS 160.A SG GLY 188.A O no hydrogen 3.725 N/A CYS 160.A SG GLU 189.A O no hydrogen 3.725 N/A CYS 160.A SG SER 287.A OG no hydrogen 3.676 N/A ASN 161.A N SER 158.A O no hydrogen 3.265 N/A ASN 161.A ND2 SER 252.A O no hydrogen 3.278 N/A ASN 161.A ND2 SER 252.A OG no hydrogen 3.019 N/A ASN 161.A ND2 ASP 255.A OD2 no hydrogen 3.294 N/A SER 164.A N CYS 160.A O no hydrogen 2.781 N/A SER 164.A OG CYS 160.A O no hydrogen 3.055 N/A ALA 165.A N ASN 161.A O no hydrogen 3.089 N/A ARG 166.A N LEU 162.A O no hydrogen 2.793 N/A PHE 167.A N ASP 163.A O no hydrogen 2.900 N/A ARG 168.A N SER 164.A O no hydrogen 2.914 N/A ARG 168.A NE PRO 179.A O no hydrogen 3.318 N/A ARG 168.A NE CYS 182.A O no hydrogen 2.655 N/A ARG 168.A NH2 PRO 179.A O no hydrogen 3.092 N/A ARG 168.A NH2 CYS 182.A O no hydrogen 3.424 N/A TYR 169.A N ALA 165.A O no hydrogen 2.841 N/A LEU 170.A N ARG 166.A O no hydrogen 2.936 N/A MET 171.A N PHE 167.A O no hydrogen 2.874 N/A GLY 172.A N ARG 168.A O no hydrogen 2.771 N/A GLU 173.A N TYR 169.A O no hydrogen 2.861 N/A ARG 174.A N LEU 170.A O no hydrogen 2.996 N/A ARG 174.A NH1 GLU 222.A O no hydrogen 3.127 N/A LEU 175.A N MET 171.A O no hydrogen 3.000 N/A GLY 176.A N GLY 172.A O no hydrogen 2.823 N/A VAL 177.A N GLY 172.A O no hydrogen 3.153 N/A LEU 180.A N HIS 178.A ND1 no hydrogen 3.204 N/A SER 181.A N HIS 178.A O no hydrogen 2.849 N/A CYS 182.A N PRO 179.A O no hydrogen 2.981 N/A CYS 182.A SG HIS 178.A O no hydrogen 3.789 N/A HIS 183.A N ASN 202.A O no hydrogen 2.986 N/A VAL 186.A N SER 164.A OG no hydrogen 3.101 N/A LEU 187.A N VAL 195.A O no hydrogen 2.966 N/A GLY 188.A N SER 287.A O no hydrogen 2.999 N/A GLU 189.A N SER 316.A OG no hydrogen 2.916 N/A HIS 190.A N ASP 138.A OD2 no hydrogen 3.052 N/A HIS 190.A ND1 ASP 163.A OD1 no hydrogen 2.562 N/A HIS 190.A ND1 ASP 163.A OD2 no hydrogen 3.177 N/A SER 193.A N GLU 189.A OE1 no hydrogen 3.065 N/A SER 193.A OG GLU 189.A OE1 no hydrogen 2.532 N/A SER 193.A OG SER 316.A OG no hydrogen 2.715 N/A SER 194.A N GLY 191.A O no hydrogen 3.311 N/A SER 194.A OG GLY 191.A O no hydrogen 3.374 N/A SER 194.A OG HIS 228.A NE2 no hydrogen 2.674 N/A VAL 195.A N LEU 187.A O no hydrogen 2.866 N/A VAL 197.A N TRP 185.A O no hydrogen 2.947 N/A SER 199.A N GLU 309.A OE2 no hydrogen 3.227 N/A GLY 200.A N VAL 197.A O no hydrogen 2.964 N/A VAL 201.A N TRP 198.A O no hydrogen 3.363 N/A ASN 202.A N HIS 183.A O no hydrogen 2.995 N/A ASN 202.A ND2 GLY 200.A O no hydrogen 2.887 N/A VAL 203.A N VAL 206.A O no hydrogen 3.235 N/A GLY 205.A N ASN 202.A OD1 no hydrogen 2.996 N/A VAL 206.A N VAL 203.A O no hydrogen 2.876 N/A LEU 208.A N VAL 201.A O no hydrogen 2.940 N/A SER 210.A N SER 207.A O no hydrogen 3.052 N/A SER 210.A N SER 207.A OG no hydrogen 3.197 N/A SER 210.A OG SER 207.A O no hydrogen 2.694 N/A LEU 211.A N LEU 208.A O no hydrogen 3.250 N/A ASN 212.A N LEU 208.A O no hydrogen 3.118 N/A ASN 212.A N LYS 209.A O no hydrogen 3.293 N/A ASN 212.A ND2 ASP 220.A OD1 no hydrogen 3.010 N/A GLN 214.A N ASN 212.A OD1 no hydrogen 3.073 N/A LEU 215.A N ASN 212.A O no hydrogen 2.870 N/A GLY 216.A N ASP 220.A OD2 no hydrogen 3.160 N/A THR 217.A N GLN 214.A O no hydrogen 3.050 N/A THR 217.A OG1 GLN 214.A O no hydrogen 2.832 N/A ASP 220.A N THR 217.A O no hydrogen 3.176 N/A GLU 222.A N ASP 220.A OD1 no hydrogen 3.018 N/A GLN 223.A N ASP 220.A O no hydrogen 2.965 N/A TRP 224.A N ASP 220.A OD2 no hydrogen 2.812 N/A TRP 224.A NE1 GLU 222.A OE1 no hydrogen 3.139 N/A ASP 226.A N GLN 223.A O no hydrogen 3.047 N/A VAL 227.A N TRP 224.A O no hydrogen 2.906 N/A HIS 228.A NE2 SER 194.A OG no hydrogen 2.674 N/A LYS 229.A N LYS 225.A O no hydrogen 2.918 N/A GLN 230.A N ASP 226.A O no hydrogen 2.715 N/A VAL 231.A N VAL 227.A O no hydrogen 3.009 N/A VAL 232.A N HIS 228.A O no hydrogen 2.916 N/A ASP 233.A N LYS 229.A O no hydrogen 2.888 N/A SER 234.A N.A VAL 231.A O no hydrogen 3.216 N/A SER 234.A N.B VAL 231.A O no hydrogen 3.204 N/A SER 234.A OG.A GLN 230.A O no hydrogen 2.614 N/A SER 234.A OG.A VAL 231.A O no hydrogen 3.453 N/A SER 234.A OG.B VAL 231.A O no hydrogen 2.700 N/A TYR 236.A OH.A ASP 192.A OD1 no hydrogen 2.940 N/A GLU 237.A N ASP 233.A O no hydrogen 2.983 N/A VAL 238.A N SER 234.A O.A no hydrogen 2.986 N/A VAL 238.A N SER 234.A O.B no hydrogen 3.006 N/A ILE 239.A N ALA 235.A O no hydrogen 2.694 N/A LYS 240.A N TYR 236.A O.A no hydrogen 2.991 N/A LYS 240.A N TYR 236.A O.B no hydrogen 2.922 N/A LYS 240.A NZ TYR 236.A OH.B no hydrogen 2.953 N/A LEU 241.A N GLU 237.A O no hydrogen 3.051 N/A LYS 242.A N VAL 238.A O no hydrogen 2.803 N/A LYS 242.A NZ SER 246.A OG no hydrogen 3.023 N/A GLY 243.A N ILE 239.A O no hydrogen 2.714 N/A GLY 250.A N SER 246.A O no hydrogen 2.965 N/A LEU 251.A N TRP 247.A O no hydrogen 3.001 N/A SER 252.A N ALA 248.A O no hydrogen 2.826 N/A VAL 253.A N ILE 249.A O no hydrogen 2.819 N/A ALA 254.A N GLY 250.A O no hydrogen 2.988 N/A ASP 255.A N LEU 251.A O no hydrogen 2.945 N/A ASP 255.A N SER 252.A O no hydrogen 3.213 N/A LEU 256.A N SER 252.A O no hydrogen 3.248 N/A ALA 257.A N VAL 253.A O no hydrogen 2.853 N/A GLU 258.A N ALA 254.A O no hydrogen 2.954 N/A SER 259.A N ASP 255.A O no hydrogen 3.163 N/A SER 259.A OG HIS 268.A NE2 no hydrogen 2.750 N/A ILE 260.A N LEU 256.A O no hydrogen 3.144 N/A MET 261.A N ALA 257.A O no hydrogen 2.852 N/A LYS 262.A N GLU 258.A O no hydrogen 3.179 N/A LEU 264.A N SER 259.A O no hydrogen 3.039 N/A ARG 265.A NH1 SER 298.A OG no hydrogen 2.793 N/A ARG 265.A NH2 ASP 299.A OD2 no hydrogen 2.923 N/A ARG 266.A NH1 ASP 255.A OD1 no hydrogen 2.875 N/A ARG 266.A NH2 ASP 255.A OD1 no hydrogen 2.864 N/A HIS 268.A N CYS 290.A O no hydrogen 2.910 N/A HIS 268.A ND1 ASN 161.A OD1 no hydrogen 3.099 N/A HIS 268.A NE2 SER 259.A OG no hydrogen 2.750 N/A ILE 270.A N VAL 288.A O no hydrogen 3.401 N/A SER 271.A N GLY 157.A O no hydrogen 2.928 N/A SER 271.A OG ASP 138.A OD1 no hydrogen 2.774 N/A THR 272.A N LEU 286.A O no hydrogen 3.155 N/A ILE 274.A N VAL 284.A O no hydrogen 3.096 N/A GLY 276.A N ILE 280.A O no hydrogen 2.886 N/A LEU 277.A N ILE 274.A O no hydrogen 3.167 N/A TYR 278.A OH VAL 303.A O no hydrogen 2.846 N/A ILE 280.A N LEU 277.A O no hydrogen 3.267 N/A LEU 286.A N THR 272.A O no hydrogen 3.175 N/A SER 287.A N GLY 188.A O no hydrogen 2.893 N/A CYS 290.A N HIS 268.A O no hydrogen 2.845 N/A CYS 290.A SG ILE 270.A O no hydrogen 3.941 N/A CYS 290.A SG VAL 288.A O no hydrogen 3.337 N/A ILE 291.A N ASP 299.A O no hydrogen 2.828 N/A LEU 292.A N ARG 266.A O no hydrogen 2.993 N/A GLY 293.A N GLY 296.A O no hydrogen 3.160 N/A GLN 294.A N ASN 263.A OD1 no hydrogen 2.926 N/A GLY 296.A N GLY 293.A O no hydrogen 2.989 N/A ILE 297.A N ASN 153.A O no hydrogen 2.929 N/A SER 298.A N ILE 291.A O no hydrogen 3.268 N/A SER 298.A OG ASP 299.A OD2 no hydrogen 2.750 N/A VAL 301.A N PRO 289.A O no hydrogen 2.760 N/A THR 306.A N GLU 309.A OE1 no hydrogen 3.288 N/A GLU 309.A N THR 306.A OG1 no hydrogen 3.276 N/A GLU 310.A N THR 306.A O no hydrogen 2.660 N/A ALA 311.A N PRO 307.A O no hydrogen 2.852 N/A ARG 312.A N ASP 308.A O no hydrogen 2.936 N/A ARG 312.A NE ASP 308.A OD1 no hydrogen 2.741 N/A LEU 313.A N GLU 309.A O no hydrogen 2.997 N/A LYS 314.A N GLU 310.A O no hydrogen 2.861 N/A LYS 315.A N ALA 311.A O no hydrogen 2.917 N/A SER 316.A N ARG 312.A O no hydrogen 2.929 N/A SER 316.A OG SER 193.A O no hydrogen 2.864 N/A SER 316.A OG SER 193.A OG no hydrogen 2.715 N/A ALA 317.A N LEU 313.A O no hydrogen 2.860 N/A ASP 318.A N LYS 314.A O no hydrogen 2.862 N/A THR 319.A N LYS 315.A O no hydrogen 2.888 N/A THR 319.A OG1 LYS 315.A O no hydrogen 2.852 N/A LEU 320.A N SER 316.A O no hydrogen 3.184 N/A TRP 321.A N ALA 317.A O no hydrogen 3.108 N/A GLY 322.A N ASP 318.A O no hydrogen 2.930 N/A ILE 323.A N LEU 320.A O no hydrogen 3.197 N/A GLN 324.A N LEU 320.A O no hydrogen 2.979 N/A GLN 324.A NE2 ASP 283.A O no hydrogen 2.644 N/A LYS 325.A N TRP 321.A O no hydrogen 2.889 N/A LEU 327.A N GLN 324.A O no hydrogen 3.402 N/A