Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aaq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 23.A OD1 no hydrogen 2.715 N/A SER 3.A N TYR 22.A O no hydrogen 3.092 N/A CYS 4.A SG SER 3.A O no hydrogen 3.321 N/A CYS 4.A SG TYR 20.A O no hydrogen 3.855 N/A ILE 5.A N TYR 20.A O no hydrogen 3.011 N/A ALA 6.A N PRO 72.A O no hydrogen 2.907 N/A VAL 7.A N HIS 18.A O no hydrogen 2.840 N/A ILE 8.A N TYR 74.A O no hydrogen 2.736 N/A ASP 9.A N ARG 16.A O no hydrogen 2.838 N/A ALA 10.A N TYR 76.A O no hydrogen 2.963 N/A GLY 11.A N GLY 14.A O no hydrogen 2.901 N/A SER 15.A N ILE 41.A O no hydrogen 2.886 N/A SER 15.A OG TYR 58.A OH no hydrogen 2.672 N/A ARG 16.A N ASP 9.A O no hydrogen 2.892 N/A ARG 16.A NE ASP 9.A OD2 no hydrogen 3.353 N/A ARG 16.A NH2 ASP 9.A OD2 no hydrogen 3.032 N/A LEU 17.A N LYS 39.A O no hydrogen 2.769 N/A HIS 18.A N VAL 7.A O no hydrogen 2.830 N/A ILE 19.A N TRP 37.A O no hydrogen 3.050 N/A TYR 20.A N ILE 5.A O no hydrogen 2.946 N/A TYR 20.A OH THR 341.A OG1 no hydrogen 2.633 N/A SER 21.A N GLU 34.A O no hydrogen 2.803 N/A SER 21.A OG GLU 34.A O no hydrogen 3.473 N/A TYR 22.A N SER 3.A O no hydrogen 3.000 N/A ASP 23.A N ILE 31.A O no hydrogen 2.838 N/A ASP 25.A N THR 29.A O no hydrogen 2.948 N/A THR 27.A N ASP 25.A OD1 no hydrogen 2.772 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 2.621 N/A THR 27.A OG1 ASP 25.A OD2 no hydrogen 3.516 N/A THR 27.A OG1 THR 29.A OG1 no hydrogen 2.838 N/A ASN 28.A N ASP 25.A O no hydrogen 3.192 N/A THR 29.A N ASP 25.A OD1 no hydrogen 3.441 N/A THR 29.A OG1 THR 27.A OG1 no hydrogen 2.838 N/A ILE 31.A N ASP 23.A O no hydrogen 2.674 N/A HIS 32.A ND1 ASP 23.A OD2 no hydrogen 2.883 N/A ILE 33.A N TYR 129.A OH no hydrogen 3.179 N/A GLU 34.A N SER 21.A O no hydrogen 2.805 N/A ILE 36.A N ILE 19.A O no hydrogen 2.780 N/A TRP 37.A N ILE 19.A O no hydrogen 3.462 N/A ASN 38.A ND2 GLU 35.A OE2 no hydrogen 2.969 N/A LYS 39.A N LEU 17.A O no hydrogen 3.061 N/A LYS 39.A NZ ASP 65.A OD2 no hydrogen 2.909 N/A ILE 41.A N SER 15.A O no hydrogen 2.878 N/A SER 47.A N GLY 44.A O no hydrogen 2.966 N/A ILE 48.A N PHE 45.A O no hydrogen 3.181 N/A ASN 51.A N GLN 49.A O no hydrogen 2.973 N/A SER 52.A OG GLU 95.A OE1 no hydrogen 2.699 N/A SER 52.A OG GLU 95.A OE2 no hydrogen 3.411 N/A THR 54.A N ASN 51.A OD1 no hydrogen 2.945 N/A THR 54.A OG1 ASN 51.A OD1 no hydrogen 2.595 N/A ILE 55.A N ASN 51.A O no hydrogen 3.001 N/A ASP 56.A N SER 52.A O no hydrogen 2.786 N/A ALA 57.A N VAL 53.A O no hydrogen 2.956 N/A TYR 58.A N THR 54.A O no hydrogen 2.967 N/A TYR 58.A OH SER 15.A OG no hydrogen 2.672 N/A TYR 58.A OH PRO 43.A O no hydrogen 2.642 N/A LEU 59.A N ILE 55.A O no hydrogen 2.874 N/A THR 60.A N ASP 56.A O no hydrogen 2.977 N/A THR 60.A OG1 ASP 56.A O no hydrogen 2.764 N/A THR 60.A OG1 ASP 56.A OD1 no hydrogen 3.157 N/A MET 61.A N ALA 57.A O no hydrogen 3.028 N/A LEU 62.A N TYR 58.A O no hydrogen 3.071 N/A LEU 63.A N LEU 59.A O no hydrogen 2.865 N/A LEU 63.A N THR 60.A O no hydrogen 3.318 N/A ALA 64.A N THR 60.A O no hydrogen 2.926 N/A ALA 66.A N LEU 63.A O no hydrogen 2.895 N/A VAL 73.A N GLN 107.A O no hydrogen 2.869 N/A TYR 74.A N ALA 6.A O no hydrogen 2.880 N/A PHE 75.A N GLU 110.A O no hydrogen 2.782 N/A TYR 76.A N ILE 8.A O no hydrogen 2.848 N/A TYR 76.A OH GLU 110.A OE1 no hydrogen 2.753 N/A ALA 77.A N LYS 112.A O no hydrogen 2.857 N/A THR 78.A N ALA 10.A O no hydrogen 3.010 N/A MET 81.A N THR 78.A O no hydrogen 3.123 N/A ARG 82.A N THR 78.A O no hydrogen 3.230 N/A ARG 82.A NH1 ILE 114.A O no hydrogen 2.857 N/A ARG 82.A NH1 GLU 119.A OE1 no hydrogen 3.148 N/A ARG 82.A NH2 GLU 119.A OE1 no hydrogen 3.028 N/A LEU 83.A N ALA 79.A O no hydrogen 3.081 N/A LEU 84.A N MET 81.A O no hydrogen 2.955 N/A GLN 88.A N PRO 85.A O no hydrogen 3.003 N/A GLN 89.A N PRO 85.A O no hydrogen 3.061 N/A GLN 89.A NE2 LEU 84.A O no hydrogen 2.930 N/A LYS 90.A N GLN 86.A O no hydrogen 2.946 N/A LYS 90.A NZ ASP 94.A OD2 no hydrogen 2.861 N/A LYS 91.A N GLN 88.A O no hydrogen 2.975 N/A LYS 91.A NZ GLN 88.A OE1 no hydrogen 3.430 N/A TYR 92.A OH ILE 48.A O no hydrogen 2.562 N/A TYR 93.A N GLN 89.A O no hydrogen 3.072 N/A TYR 93.A OH THR 113.A OG1 no hydrogen 2.783 N/A ASP 94.A N LYS 90.A O no hydrogen 2.892 N/A GLU 95.A N LYS 91.A O no hydrogen 3.260 N/A LEU 96.A N TYR 92.A O no hydrogen 2.847 N/A GLU 97.A N TYR 93.A O no hydrogen 2.742 N/A TYR 98.A N ASP 94.A O no hydrogen 3.074 N/A TRP 99.A N GLU 95.A O no hydrogen 2.842 N/A TRP 99.A NE1 ASP 56.A OD1 no hydrogen 2.825 N/A PHE 100.A N LEU 96.A O no hydrogen 3.031 N/A ARG 101.A N GLU 97.A O no hydrogen 3.147 N/A GLN 102.A N TRP 99.A O no hydrogen 3.075 N/A GLN 103.A N PHE 100.A O no hydrogen 3.093 N/A GLN 107.A N ILE 71.A O no hydrogen 3.086 N/A VAL 109.A N VAL 73.A O no hydrogen 2.792 N/A LYS 112.A N PHE 75.A O no hydrogen 2.939 N/A THR 113.A OG1 GLN 89.A OE1 no hydrogen 2.596 N/A THR 113.A OG1 TYR 93.A OH no hydrogen 2.783 N/A ILE 114.A N ALA 77.A O no hydrogen 2.876 N/A THR 115.A N ASP 118.A OD2 no hydrogen 3.188 N/A ASP 118.A N THR 115.A OG1 no hydrogen 3.063 N/A GLU 119.A N THR 115.A O no hydrogen 3.073 N/A ALA 120.A N GLY 116.A O no hydrogen 2.852 N/A LEU 121.A N ASN 117.A O no hydrogen 2.924 N/A PHE 122.A N ASP 118.A O no hydrogen 3.057 N/A ASP 123.A N GLU 119.A O no hydrogen 2.883 N/A TRP 124.A N ALA 120.A O no hydrogen 2.989 N/A TRP 124.A NE1 VAL 138.A O no hydrogen 2.862 N/A LEU 125.A N LEU 121.A O no hydrogen 3.014 N/A ALA 126.A N PHE 122.A O no hydrogen 2.851 N/A VAL 127.A N ASP 123.A O no hydrogen 3.031 N/A ASN 128.A N TRP 124.A O no hydrogen 3.059 N/A ASN 128.A ND2 THR 133.A OG1 no hydrogen 2.658 N/A TYR 129.A N LEU 125.A O no hydrogen 2.873 N/A LYS 130.A N ALA 126.A O no hydrogen 3.094 N/A LEU 131.A N VAL 127.A O no hydrogen 2.885 N/A ASP 132.A N TYR 129.A O no hydrogen 3.053 N/A THR 133.A N ASN 128.A O no hydrogen 2.937 N/A THR 133.A OG1 ASN 128.A O no hydrogen 3.184 N/A SER 136.A N THR 133.A O no hydrogen 3.225 N/A SER 137.A N ASN 248.A OD1 no hydrogen 2.884 N/A SER 137.A OG PRO 246.A O no hydrogen 3.549 N/A GLY 139.A N GLU 249.A O no hydrogen 2.779 N/A VAL 140.A N VAL 151.A O no hydrogen 2.858 N/A MET 141.A N TYR 251.A O no hydrogen 2.864 N/A ASP 142.A N GLN 149.A O no hydrogen 2.917 N/A MET 143.A N ILE 253.A O no hydrogen 2.899 N/A GLY 144.A N SER 147.A O no hydrogen 3.113 N/A VAL 148.A N PHE 182.A O no hydrogen 3.230 N/A GLN 149.A N ASP 142.A O no hydrogen 2.952 N/A GLN 149.A NE2 SER 147.A OG no hydrogen 2.663 N/A GLN 149.A NE2 SER 181.A OG no hydrogen 2.794 N/A ILE 150.A N HIS 180.A O no hydrogen 2.832 N/A VAL 151.A N VAL 140.A O no hydrogen 2.980 N/A PHE 152.A N TYR 178.A O no hydrogen 3.107 N/A MET 154.A N ASN 176.A O no hydrogen 3.108 N/A LYS 156.A NZ GLU 167.A OE2 no hydrogen 2.873 N/A GLU 159.A N ASN 157.A OD1 no hydrogen 2.901 N/A ILE 160.A N ASN 157.A O no hydrogen 3.094 N/A HIS 163.A N SER 161.A OG no hydrogen 3.179 N/A ASN 164.A N SER 161.A O no hydrogen 2.935 N/A ASN 164.A ND2 VAL 179.A O no hydrogen 2.913 N/A GLN 165.A N LYS 162.A O no hydrogen 3.257 N/A VAL 166.A N LEU 177.A O no hydrogen 2.912 N/A LEU 168.A N ILE 175.A O no hydrogen 2.933 N/A ASN 169.A ND2 ASN 174.A OD1 no hydrogen 2.826 N/A ILE 170.A N GLN 173.A O no hydrogen 2.817 N/A TYR 171.A N THR 29.A OG1 no hydrogen 3.104 N/A TYR 171.A OH PRO 30.A O no hydrogen 2.678 N/A GLN 173.A N ILE 170.A O no hydrogen 2.909 N/A GLN 173.A NE2 LEU 134.A O no hydrogen 2.524 N/A GLN 173.A NE2 ILE 170.A O no hydrogen 3.084 N/A ILE 175.A N LEU 168.A O no hydrogen 2.603 N/A ASN 176.A ND2 MET 154.A O no hydrogen 2.461 N/A LEU 177.A N VAL 166.A O no hydrogen 2.785 N/A TYR 178.A N PHE 152.A O no hydrogen 2.873 N/A TYR 178.A OH HIS 180.A ND1 no hydrogen 2.635 N/A VAL 179.A N ASN 164.A O no hydrogen 2.903 N/A HIS 180.A N ILE 150.A O no hydrogen 2.887 N/A HIS 180.A ND1 TYR 178.A OH no hydrogen 2.635 N/A SER 181.A OG VAL 148.A O no hydrogen 3.501 N/A PHE 182.A N VAL 148.A O no hydrogen 2.784 N/A GLY 184.A N ALA 146.A O no hydrogen 2.879 N/A LEU 185.A N PHE 182.A O no hydrogen 3.308 N/A GLY 186.A N ALA 146.A O no hydrogen 2.934 N/A GLN 187.A N GLY 144.A O no hydrogen 2.946 N/A GLU 189.A N GLY 145.A O no hydrogen 3.247 N/A MET 190.A N GLY 186.A O no hydrogen 2.853 N/A SER 191.A N GLN 187.A O no hydrogen 2.948 N/A SER 191.A OG THR 188.A O no hydrogen 2.705 N/A HIS 192.A N GLU 189.A O no hydrogen 3.302 N/A GLN 193.A N MET 190.A O no hydrogen 3.001 N/A PHE 194.A N SER 191.A O no hydrogen 2.939 N/A SER 197.A N PHE 194.A O no hydrogen 3.096 N/A SER 197.A OG PHE 194.A O no hydrogen 3.554 N/A SER 197.A OG GLU 223.A OE1 no hydrogen 2.562 N/A CYS 200.A N SER 197.A O no hydrogen 2.970 N/A PHE 201.A N PRO 198.A O no hydrogen 3.338 N/A ASP 204.A N GLY 213.A O no hydrogen 3.082 N/A TYR 205.A N ALA 202.A O no hydrogen 2.854 N/A LEU 207.A N GLU 211.A O no hydrogen 2.856 N/A GLY 210.A N LEU 207.A O no hydrogen 2.941 N/A GLU 211.A N ASP 209.A OD1 no hydrogen 2.972 N/A GLY 213.A N TYR 205.A O no hydrogen 2.722 N/A GLN 214.A N PRO 198.A O no hydrogen 2.764 N/A ASN 216.A N SER 199.A O no hydrogen 2.796 N/A ASN 216.A ND2 SER 219.A OG no hydrogen 2.701 N/A ALA 217.A N ASP 282.A OD1 no hydrogen 2.947 N/A CYS 220.A N ASN 216.A O no hydrogen 2.849 N/A LYS 221.A N ALA 217.A O no hydrogen 2.622 N/A LYS 221.A NZ ASP 319.A OD1 no hydrogen 3.505 N/A LYS 221.A NZ ASP 319.A OD2 no hydrogen 2.758 N/A GLU 222.A N PRO 218.A O no hydrogen 3.178 N/A GLU 223.A N SER 219.A O no hydrogen 3.121 N/A VAL 224.A N CYS 220.A O no hydrogen 3.087 N/A THR 225.A N LYS 221.A O no hydrogen 2.814 N/A THR 225.A OG1 LYS 221.A O no hydrogen 3.005 N/A THR 225.A OG1 ASP 319.A OD2 no hydrogen 2.789 N/A SER 226.A N GLU 222.A O no hydrogen 3.196 N/A SER 226.A N GLU 223.A O no hydrogen 3.118 N/A MET 228.A N VAL 224.A O no hydrogen 3.060 N/A ASN 229.A N THR 225.A O no hydrogen 2.840 N/A ASN 229.A ND2 ASP 319.A O no hydrogen 2.871 N/A SER 230.A N SER 226.A O no hydrogen 2.905 N/A VAL 231.A N SER 226.A O no hydrogen 3.217 N/A HIS 232.A N LEU 227.A O no hydrogen 3.033 N/A VAL 234.A N MET 228.A O no hydrogen 2.901 N/A ASN 235.A N ASN 229.A OD1 no hydrogen 3.104 N/A GLN 236.A N ASN 235.A OD1 no hydrogen 2.839 N/A GLN 237.A N LYS 233.A O no hydrogen 3.154 N/A GLN 237.A NE2 HIS 232.A O no hydrogen 2.963 N/A GLN 237.A NE2 LYS 233.A O no hydrogen 3.567 N/A ILE 238.A N VAL 234.A O no hydrogen 2.822 N/A GLN 239.A N ASN 235.A O no hydrogen 2.985 N/A GLN 239.A NE2 GLY 320.A O no hydrogen 2.941 N/A LEU 241.A N ILE 238.A O no hydrogen 3.127 N/A LEU 242.A N ILE 238.A O no hydrogen 3.054 N/A ALA 243.A N GLN 239.A O no hydrogen 2.835 N/A LEU 244.A N PRO 240.A O no hydrogen 3.335 N/A ASN 245.A N LEU 241.A O no hydrogen 2.918 N/A ASN 245.A ND2 LEU 241.A O no hydrogen 2.825 N/A ASN 248.A N SER 137.A O no hydrogen 2.820 N/A GLU 249.A N SER 137.A O no hydrogen 3.209 N/A TYR 251.A N GLY 139.A O no hydrogen 2.788 N/A SER 252.A N HIS 330.A O no hydrogen 2.808 N/A SER 252.A OG MET 141.A O no hydrogen 3.351 N/A ILE 253.A N MET 141.A O no hydrogen 2.912 N/A GLY 255.A N MET 143.A O no hydrogen 2.847 N/A SER 257.A N GLY 254.A O no hydrogen 3.183 N/A SER 257.A OG GLY 254.A O no hydrogen 3.479 N/A SER 257.A OG ILE 332.A O no hydrogen 3.077 N/A LEU 259.A N GLY 255.A O no hydrogen 2.996 N/A ALA 260.A N ILE 256.A O no hydrogen 2.799 N/A SER 261.A N ASN 258.A O no hydrogen 3.115 N/A SER 261.A OG SER 257.A O no hydrogen 2.951 N/A SER 262.A N LEU 259.A O no hydrogen 3.099 N/A LEU 264.A N SER 262.A OG no hydrogen 2.925 N/A HIS 266.A NE2 GLU 268.A OE1 no hydrogen 2.758 N/A GLU 271.A N GLU 268.A O no hydrogen 3.271 N/A LEU 272.A N ILE 329.A O no hydrogen 2.922 N/A GLN 275.A N PRO 325.A O no hydrogen 2.783 N/A SER 276.A N THR 273.A OG1 no hydrogen 3.178 N/A SER 276.A OG GLN 280.A OE1 no hydrogen 2.879 N/A LEU 277.A N THR 273.A O no hydrogen 3.007 N/A LEU 278.A N ASN 274.A O no hydrogen 2.886 N/A GLN 279.A N GLN 275.A O no hydrogen 2.991 N/A GLN 280.A N SER 276.A O no hydrogen 2.941 N/A GLY 281.A N LEU 277.A O no hydrogen 2.960 N/A ASP 282.A N LEU 278.A O no hydrogen 2.902 N/A ASN 283.A N GLN 279.A O no hydrogen 2.924 N/A GLN 284.A N GLN 280.A O no hydrogen 2.898 N/A ILE 285.A N GLY 281.A O no hydrogen 3.178 N/A CYS 286.A N GLY 281.A O no hydrogen 3.018 N/A CYS 286.A SG GLY 281.A O no hydrogen 3.557 N/A HIS 287.A N ASP 282.A O no hydrogen 3.147 N/A HIS 287.A NE2 ASN 216.A OD1 no hydrogen 3.028 N/A GLN 288.A N ILE 285.A O no hydrogen 3.068 N/A GLN 288.A NE2 GLN 289.A O no hydrogen 3.312 N/A TRP 290.A N ASN 203.A O no hydrogen 2.701 N/A LEU 293.A N GLN 289.A O no hydrogen 3.093 N/A ASN 294.A N TRP 290.A O no hydrogen 2.782 N/A GLY 295.A N ASP 291.A O no hydrogen 2.943 N/A GLN 296.A N ILE 292.A O no hydrogen 3.114 N/A GLN 296.A N LEU 293.A O no hydrogen 2.975 N/A TYR 297.A N LEU 293.A O no hydrogen 3.024 N/A TYR 302.A N ASP 300.A OD1 no hydrogen 3.344 N/A LEU 303.A N ASP 300.A O no hydrogen 3.363 N/A GLN 305.A N TYR 302.A O no hydrogen 3.004 N/A GLN 305.A NE2 GLN 187.A OE1 no hydrogen 3.366 N/A TYR 306.A N LEU 303.A O no hydrogen 3.079 N/A TYR 306.A OH ASP 300.A OD2 no hydrogen 2.870 N/A CYS 307.A SG SER 199.A O no hydrogen 3.664 N/A LEU 309.A N GLN 305.A O no hydrogen 2.888 N/A SER 310.A N TYR 306.A O no hydrogen 3.072 N/A SER 310.A OG TYR 306.A O no hydrogen 2.983 N/A SER 310.A OG CYS 307.A O no hydrogen 3.077 N/A SER 311.A N CYS 307.A O no hydrogen 3.141 N/A SER 311.A OG ALA 217.A O no hydrogen 3.494 N/A SER 311.A OG CYS 307.A O no hydrogen 2.672 N/A TYR 312.A N LEU 308.A O no hydrogen 2.799 N/A TYR 312.A OH LEU 185.A O no hydrogen 2.698 N/A TYR 313.A N LEU 309.A O no hydrogen 2.903 N/A TYR 314.A N SER 310.A O no hydrogen 3.230 N/A ALA 315.A N SER 311.A O no hydrogen 2.990 N/A LEU 316.A N TYR 312.A O no hydrogen 2.832 N/A MET 317.A N TYR 313.A O no hydrogen 2.903 N/A VAL 318.A N TYR 314.A O no hydrogen 2.750 N/A TYR 321.A N LEU 316.A O no hydrogen 2.823 N/A ILE 323.A N MET 317.A O no hydrogen 2.818 N/A ASN 326.A N ASN 324.A OD1 no hydrogen 3.038 N/A ASN 326.A ND2 GLN 275.A OE1 no hydrogen 2.826 N/A GLN 327.A N ASN 324.A O no hydrogen 2.845 N/A GLN 327.A NE2 THR 328.A O no hydrogen 3.398 N/A ILE 329.A N LEU 272.A O no hydrogen 2.711 N/A HIS 330.A N TRP 250.A O no hydrogen 3.014 N/A HIS 330.A ND1 TRP 250.A O no hydrogen 3.007 N/A TYR 331.A N SER 270.A O no hydrogen 2.974 N/A ILE 332.A N SER 252.A O no hydrogen 3.111 N/A GLN 336.A N PRO 333.A O no hydrogen 3.023 N/A ASN 337.A N PRO 334.A O no hydrogen 3.387 N/A THR 341.A N ASP 339.A OD2 no hydrogen 3.036 N/A THR 341.A OG1 HIS 18.A ND1 no hydrogen 3.324 N/A THR 341.A OG1 TYR 20.A OH no hydrogen 2.633 N/A THR 341.A OG1 ASP 339.A OD2 no hydrogen 2.369 N/A ILE 342.A N ASP 339.A O no hydrogen 2.936 N/A GLY 343.A N TRP 340.A O no hydrogen 2.860 N/A VAL 345.A N THR 341.A O no hydrogen 3.313 N/A LEU 346.A N ILE 342.A O no hydrogen 3.113 N/A HIS 347.A N GLY 343.A O no hydrogen 2.996 N/A ARG 348.A N VAL 344.A O no hydrogen 2.685 N/A ARG 348.A NH1 GLU 110.A OE1 no hydrogen 2.985 N/A ARG 348.A NH1 GLU 110.A OE2 no hydrogen 2.695 N/A ARG 348.A NH2 GLU 110.A OE2 no hydrogen 2.754 N/A ALA 349.A N VAL 345.A O no hydrogen 3.066 N/A