Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 SER 144.A OG no hydrogen 3.378 N/A SER 3.A N GLU 6.A OE2 no hydrogen 2.862 N/A ALA 5.A N LYS 185.A O no hydrogen 3.092 N/A GLU 6.A N SER 3.A O no hydrogen 3.281 N/A GLU 6.A N SER 3.A OG no hydrogen 3.368 N/A HIS 7.A N PRO 4.A O no hydrogen 2.878 N/A HIS 7.A NE2 GLU 2.A OE2 no hydrogen 2.833 N/A GLY 8.A N ALA 5.A O no hydrogen 3.203 N/A TYR 9.A N PRO 4.A O no hydrogen 3.095 N/A TYR 9.A OH ARG 99.A O no hydrogen 3.047 N/A TYR 10.A N VAL 94.A O no hydrogen 2.744 N/A ASP 15.A N ALA 12.A O no hydrogen 3.024 N/A HIS 17.A N ASN 300.A OD1 no hydrogen 2.992 N/A GLN 19.A N GLN 353.A O no hydrogen 3.398 N/A THR 20.A N PRO 54.A O no hydrogen 3.061 N/A THR 20.A OG1 TYR 297.A OH no hydrogen 2.663 N/A TRP 21.A N GLN 351.A O no hydrogen 2.960 N/A ILE 22.A N THR 56.A O no hydrogen 3.061 N/A ARG 27.A NE ASP 29.A OD1 no hydrogen 2.961 N/A ARG 27.A NH1 ASN 81.A O no hydrogen 2.686 N/A ARG 27.A NH2 ASP 29.A OD2 no hydrogen 3.344 N/A ASN 30.A N ARG 27.A O no hydrogen 3.200 N/A TRP 31.A N ARG 27.A O no hydrogen 2.940 N/A TRP 31.A NE1 ASP 82.A OD2 no hydrogen 3.291 N/A ARG 32.A NE GLU 338.A OE1 no hydrogen 3.107 N/A ARG 32.A NH2 GLU 338.A OE1 no hydrogen 3.538 N/A ARG 32.A NH2 GLU 338.A OE2 no hydrogen 2.807 N/A HIS 33.A N GLY 273.A O no hydrogen 3.208 N/A ALA 35.A N TRP 31.A O no hydrogen 3.088 N/A ALA 35.A N ARG 32.A O no hydrogen 3.049 N/A LEU 36.A N HIS 33.A O no hydrogen 3.116 N/A GLN 39.A N ALA 35.A O no hydrogen 2.820 N/A GLN 39.A NE2 GLN 70.A OE1 no hydrogen 3.026 N/A ARG 40.A N LEU 36.A O no hydrogen 2.970 N/A VAL 41.A N PRO 37.A O no hydrogen 3.232 N/A PHE 42.A N ALA 38.A O no hydrogen 2.704 N/A ALA 43.A N GLN 39.A O no hydrogen 2.782 N/A GLY 44.A N ARG 40.A O no hydrogen 2.885 N/A VAL 45.A N VAL 41.A O no hydrogen 2.772 N/A ALA 46.A N PHE 42.A O no hydrogen 2.828 N/A LYS 47.A N ALA 43.A O no hydrogen 2.927 N/A ALA 48.A N GLY 44.A O no hydrogen 2.863 N/A ILE 49.A N VAL 45.A O no hydrogen 2.962 N/A SER 50.A N ALA 46.A O no hydrogen 3.101 N/A SER 50.A OG LYS 47.A O no hydrogen 2.497 N/A SER 50.A OG ASP 74.A OD1 no hydrogen 3.545 N/A LYS 51.A N LYS 47.A O no hydrogen 3.254 N/A LYS 51.A N ALA 48.A O no hydrogen 3.223 N/A PHE 52.A N ILE 49.A O no hydrogen 2.918 N/A GLU 53.A N ILE 49.A O no hydrogen 2.867 N/A THR 56.A N THR 20.A O no hydrogen 2.728 N/A THR 56.A OG1 THR 20.A O no hydrogen 3.518 N/A VAL 57.A N ARG 76.A O no hydrogen 2.962 N/A CYS 58.A N ILE 22.A O no hydrogen 3.072 N/A ALA 59.A N VAL 78.A O no hydrogen 3.028 N/A SER 60.A OG GLU 26.A OE1 no hydrogen 2.598 N/A SER 60.A OG GLU 26.A OE2 no hydrogen 3.489 N/A GLN 63.A N SER 60.A OG no hydrogen 3.237 N/A GLN 63.A NE2 GLN 63.A O no hydrogen 3.527 N/A TRP 64.A N PRO 61.A O no hydrogen 3.406 N/A ASN 66.A ND2 GLN 70.A OE1 no hydrogen 3.403 N/A ALA 67.A N GLN 63.A O no hydrogen 2.960 N/A ARG 68.A N TRP 64.A O no hydrogen 2.779 N/A ARG 68.A NE ARG 68.A O no hydrogen 2.892 N/A ARG 68.A NH1 ILE 75.A O no hydrogen 2.736 N/A ARG 68.A NH2 LEU 71.A O no hydrogen 2.836 N/A ARG 68.A NH2 PRO 72.A O no hydrogen 2.873 N/A ARG 68.A NH2 ILE 75.A O no hydrogen 2.973 N/A LYS 69.A N GLU 65.A O no hydrogen 2.858 N/A GLN 70.A N ASN 66.A O no hydrogen 2.915 N/A LEU 71.A N ALA 67.A O no hydrogen 3.071 N/A ILE 75.A N PRO 72.A O no hydrogen 2.706 N/A ARG 76.A N VAL 55.A O no hydrogen 3.156 N/A ARG 76.A NH1 GLU 136.A OE2 no hydrogen 3.090 N/A VAL 78.A N VAL 57.A O no hydrogen 2.988 N/A ASN 81.A N ASP 125.A OD2 no hydrogen 2.496 N/A ASP 82.A N ASP 125.A OD2 no hydrogen 3.390 N/A TRP 84.A NE1 ASP 82.A OD1 no hydrogen 3.043 N/A ARG 86.A N CYS 348.A O no hydrogen 3.114 N/A ARG 86.A NE HIS 347.A O no hydrogen 2.999 N/A ARG 86.A NH1 THR 350.A OG1 no hydrogen 2.781 N/A ARG 86.A NH1 GLN 352.A OE1 no hydrogen 3.214 N/A ARG 86.A NH2 GLN 352.A OE1 no hydrogen 2.544 N/A ASP 87.A N TRP 84.A O no hydrogen 2.898 N/A SER 88.A OG TRP 84.A O no hydrogen 3.498 N/A THR 91.A N ILE 104.A O no hydrogen 3.074 N/A ILE 93.A N ALA 102.A O no hydrogen 3.027 N/A VAL 94.A N TYR 10.A O no hydrogen 2.743 N/A ARG 95.A N ASN 100.A O no hydrogen 3.216 N/A ARG 99.A NE GLU 356.A OE1 no hydrogen 3.048 N/A ARG 99.A NE GLU 356.A OE2 no hydrogen 3.374 N/A ARG 99.A NH1 GLU 356.A OE2 no hydrogen 3.050 N/A ARG 99.A NH2 GLU 136.A O no hydrogen 2.984 N/A ARG 99.A NH2 ARG 137.A O no hydrogen 3.318 N/A ASN 100.A N GLU 356.A OE1 no hydrogen 2.841 N/A ALA 102.A N ILE 93.A O no hydrogen 2.628 N/A GLY 103.A N PRO 139.A O no hydrogen 3.115 N/A ILE 104.A N THR 91.A O no hydrogen 2.836 N/A ASP 105.A N PHE 141.A O no hydrogen 2.914 N/A TRP 106.A NE1 THR 91.A OG1 no hydrogen 2.899 N/A TRP 111.A NE1 ASP 87.A OD2 no hydrogen 2.704 N/A ASP 116.A N GLY 113.A O no hydrogen 3.404 N/A GLY 117.A N GLY 113.A O no hydrogen 2.872 N/A CYS 118.A N ALA 110.A O no hydrogen 2.856 N/A CYS 118.A SG ASP 204.A O no hydrogen 3.919 N/A TYR 119.A OH ASP 125.A OD1 no hydrogen 2.649 N/A ASN 120.A N GLU 279.A O no hydrogen 3.001 N/A ASN 120.A ND2 GLU 279.A OE1 no hydrogen 2.768 N/A SER 123.A N ASP 121.A OD1 no hydrogen 2.967 N/A SER 123.A OG ASP 121.A OD1 no hydrogen 2.547 N/A HIS 124.A N ASN 81.A OD1 no hydrogen 2.517 N/A ASP 125.A N ASN 81.A OD1 no hydrogen 2.857 N/A LEU 126.A N TRP 122.A O no hydrogen 3.099 N/A LEU 127.A N HIS 124.A O no hydrogen 2.986 N/A VAL 128.A N ASP 125.A O no hydrogen 3.416 N/A LYS 131.A N LEU 127.A O no hydrogen 2.651 N/A ILE 132.A N VAL 128.A O no hydrogen 2.919 N/A LEU 133.A N SER 129.A O no hydrogen 3.246 N/A ALA 134.A N ARG 130.A O no hydrogen 2.642 N/A LEU 135.A N LYS 131.A O no hydrogen 2.761 N/A GLU 136.A N ILE 132.A O no hydrogen 2.905 N/A ILE 138.A N LEU 133.A O no hydrogen 3.223 N/A ARG 140.A NH2 ASP 105.A OD2 no hydrogen 3.377 N/A ARG 140.A NH2 GLN 142.A OE1 no hydrogen 2.956 N/A PHE 141.A N GLY 103.A O no hydrogen 3.085 N/A HIS 143.A N ASP 105.A O no hydrogen 2.854 N/A HIS 143.A NE2 GLU 182.A OE1 no hydrogen 2.910 N/A LEU 146.A N ASN 107.A O no hydrogen 3.098 N/A GLY 149.A N ASP 87.A OD1 no hydrogen 2.827 N/A SER 150.A N GLU 147.A O no hydrogen 2.828 N/A SER 150.A OG GLU 147.A O no hydrogen 2.731 N/A ILE 151.A N GLY 148.A O no hydrogen 3.318 N/A HIS 152.A N LEU 160.A O no hydrogen 2.842 N/A ASP 154.A N THR 158.A O no hydrogen 3.171 N/A GLU 156.A N ASP 154.A OD1 no hydrogen 2.920 N/A THR 158.A N ASP 154.A OD1 no hydrogen 2.770 N/A THR 158.A OG1 ASP 154.A OD2 no hydrogen 2.927 N/A CYS 159.A N SER 191.A O no hydrogen 3.011 N/A CYS 159.A SG HIS 152.A O no hydrogen 3.848 N/A LEU 160.A N HIS 152.A O no hydrogen 2.996 N/A VAL 161.A N ILE 193.A O no hydrogen 3.149 N/A THR 162.A OG1 GLY 207.A O no hydrogen 3.225 N/A GLU 163.A N LEU 195.A O no hydrogen 3.230 N/A GLU 164.A N PRO 196.A O no hydrogen 3.207 N/A CYS 165.A N THR 162.A OG1 no hydrogen 3.281 N/A CYS 165.A SG GLU 147.A OE2 no hydrogen 3.421 N/A LEU 166.A N THR 162.A O no hydrogen 2.752 N/A LEU 167.A N GLU 163.A O no hydrogen 2.614 N/A ASN 168.A N CYS 165.A O no hydrogen 3.235 N/A ASN 168.A ND2 GLU 164.A O no hydrogen 2.931 N/A ASN 170.A N ASN 168.A OD1 no hydrogen 2.869 N/A ARG 171.A N ASN 168.A O no hydrogen 2.450 N/A ARG 171.A NE GLU 147.A OE1 no hydrogen 3.080 N/A ARG 171.A NE GLU 147.A OE2 no hydrogen 3.487 N/A ARG 171.A NH1 ASN 170.A OD1 no hydrogen 2.856 N/A ARG 171.A NH2 GLU 147.A OE2 no hydrogen 3.548 N/A ARG 171.A NH2 THR 205.A O no hydrogen 2.509 N/A SER 175.A OG GLU 177.A OE1 no hydrogen 3.287 N/A GLU 177.A N SER 175.A OG no hydrogen 3.211 N/A GLN 178.A N SER 175.A OG no hydrogen 3.168 N/A GLN 178.A NE2 HIS 174.A O no hydrogen 3.593 N/A GLN 178.A NE2 SER 175.A OG no hydrogen 3.170 N/A ILE 179.A N SER 175.A O no hydrogen 3.122 N/A GLU 180.A N LYS 176.A O no hydrogen 3.065 N/A GLU 181.A N GLU 177.A O no hydrogen 2.778 N/A GLU 182.A N GLN 178.A O no hydrogen 3.029 N/A LEU 183.A N ILE 179.A O no hydrogen 2.992 N/A LYS 184.A N GLU 180.A O no hydrogen 2.834 N/A LYS 185.A N GLU 181.A O no hydrogen 2.991 N/A LYS 185.A NZ GLU 182.A OE2 no hydrogen 2.628 N/A TYR 186.A N GLU 182.A O no hydrogen 2.719 N/A LEU 187.A N LEU 183.A O no hydrogen 2.792 N/A GLN 190.A N GLY 157.A O no hydrogen 3.051 N/A GLN 190.A NE2 GLY 188.A O no hydrogen 2.915 N/A SER 191.A N GLY 157.A O no hydrogen 2.952 N/A SER 191.A OG GLY 157.A O no hydrogen 3.505 N/A ILE 193.A N CYS 159.A O no hydrogen 3.209 N/A TRP 194.A NE1 GLU 180.A OE2 no hydrogen 2.836 N/A LEU 195.A N VAL 161.A O no hydrogen 3.181 N/A ARG 197.A NH2 GLU 234.A OE2 no hydrogen 3.113 N/A ARG 197.A NH2 GLU 238.A OE1 no hydrogen 3.140 N/A GLY 198.A N GLU 164.A OE1 no hydrogen 2.430 N/A ASP 202.A N LEU 199.A O no hydrogen 3.036 N/A ASN 206.A N GLU 203.A O no hydrogen 3.426 N/A GLY 207.A N ASP 202.A O no hydrogen 2.735 N/A ASP 210.A N GLY 149.A O no hydrogen 3.170 N/A ASN 211.A N HIS 208.A O no hydrogen 3.287 N/A CYS 212.A SG CYS 213.A O no hydrogen 3.930 N/A CYS 212.A SG LEU 221.A O no hydrogen 3.045 N/A CYS 213.A N LEU 221.A O no hydrogen 3.357 N/A ALA 215.A N VAL 219.A O no hydrogen 2.523 N/A VAL 219.A N ARG 216.A O no hydrogen 3.127 N/A VAL 220.A N GLN 255.A O no hydrogen 3.202 N/A LEU 221.A N CYS 213.A O no hydrogen 2.899 N/A LEU 222.A N ILE 257.A O no hydrogen 2.837 N/A SER 223.A OG ASN 211.A O no hydrogen 2.895 N/A SER 223.A OG SER 292.A OG no hydrogen 2.952 N/A TRP 224.A N LEU 259.A O no hydrogen 2.954 N/A TRP 224.A NE1 ASP 226.A OD1 no hydrogen 2.791 N/A ASP 227.A N THR 225.A OG1 no hydrogen 2.873 N/A THR 229.A N ASP 227.A OD1 no hydrogen 2.925 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.962 N/A ASP 230.A N ASP 227.A O no hydrogen 2.932 N/A GLN 232.A N ASP 230.A OD1 no hydrogen 2.835 N/A TYR 233.A N ASP 230.A O no hydrogen 2.869 N/A ARG 235.A N GLN 232.A O no hydrogen 3.001 N/A ARG 235.A NH2 GLU 164.A OE1 no hydrogen 3.102 N/A ARG 235.A NH2 GLY 198.A O no hydrogen 2.571 N/A SER 236.A N GLN 232.A O no hydrogen 2.946 N/A SER 236.A OG SER 223.A O no hydrogen 2.644 N/A SER 236.A OG GLN 232.A O no hydrogen 3.488 N/A SER 236.A OG GLN 232.A OE1 no hydrogen 3.034 N/A VAL 237.A N TYR 233.A O no hydrogen 2.819 N/A GLU 238.A N GLU 234.A O no hydrogen 3.039 N/A ALA 239.A N ARG 235.A O no hydrogen 2.948 N/A LEU 240.A N SER 236.A O no hydrogen 2.806 N/A SER 241.A N VAL 237.A O no hydrogen 3.006 N/A VAL 242.A N GLU 238.A O no hydrogen 3.150 N/A LEU 243.A N ALA 239.A O no hydrogen 3.064 N/A SER 244.A N LEU 240.A O no hydrogen 3.023 N/A SER 244.A OG LEU 240.A O no hydrogen 2.987 N/A ASN 245.A N VAL 242.A O no hydrogen 3.127 N/A ASN 245.A ND2 SER 241.A O no hydrogen 3.112 N/A SER 246.A N LEU 243.A O no hydrogen 2.867 N/A SER 246.A OG VAL 242.A O no hydrogen 2.824 N/A ASP 248.A N ARG 252.A O no hydrogen 2.909 N/A ALA 249.A N THR 158.A OG1 no hydrogen 3.071 N/A ARG 250.A NH1 GLU 156.A OE2 no hydrogen 2.813 N/A GLY 251.A N ASP 248.A O no hydrogen 3.216 N/A ARG 252.A N ASP 248.A OD1 no hydrogen 2.867 N/A ARG 252.A NE ASP 248.A OD2 no hydrogen 2.895 N/A ARG 252.A NH2 GLU 156.A OE2 no hydrogen 2.660 N/A ILE 254.A N SER 246.A O no hydrogen 3.109 N/A GLN 255.A N GLY 218.A O no hydrogen 3.245 N/A ILE 257.A N VAL 220.A O no hydrogen 2.859 N/A LEU 259.A N LEU 222.A O no hydrogen 2.819 N/A TYR 260.A OH ASP 226.A OD2 no hydrogen 2.491 N/A ILE 261.A N TRP 224.A O no hydrogen 2.983 N/A GLU 263.A N ASP 310.A OD1 no hydrogen 2.607 N/A THR 267.A OG1 GLU 270.A OE1 no hydrogen 3.489 N/A GLU 270.A N THR 267.A OG1 no hydrogen 2.668 N/A SER 271.A N THR 267.A O no hydrogen 2.824 N/A SER 271.A OG ARG 283.A O no hydrogen 2.345 N/A SER 272.A N GLU 268.A O no hydrogen 3.012 N/A SER 272.A OG GLU 268.A O no hydrogen 2.932 N/A SER 272.A OG GLU 269.A O no hydrogen 3.317 N/A GLY 273.A N GLU 270.A O no hydrogen 3.095 N/A ILE 274.A N SER 271.A O no hydrogen 2.997 N/A THR 275.A N GLN 28.A O no hydrogen 3.131 N/A THR 275.A OG1 GLN 28.A OE1 no hydrogen 2.668 N/A GLU 279.A N ASP 277.A OD1 no hydrogen 3.031 N/A ILE 281.A N CYS 118.A O no hydrogen 3.242 N/A THR 287.A N LEU 284.A O no hydrogen 3.393 N/A THR 287.A OG1 LEU 284.A O no hydrogen 1.957 N/A ARG 288.A NH1 ASP 230.A OD1 no hydrogen 2.936 N/A ARG 288.A NH2 ASP 230.A OD2 no hydrogen 2.912 N/A LEU 289.A N LEU 265.A O no hydrogen 3.360 N/A SER 292.A OG SER 223.A OG no hydrogen 2.952 N/A TYR 293.A OH ASP 314.A OD1 no hydrogen 2.705 N/A VAL 294.A N SER 292.A OG no hydrogen 3.205 N/A ASN 295.A N SER 292.A O no hydrogen 3.364 N/A TYR 297.A N ILE 304.A O no hydrogen 2.990 N/A TYR 297.A OH THR 20.A OG1 no hydrogen 2.663 N/A ILE 298.A N GLU 13.A OE2 no hydrogen 2.974 N/A ALA 299.A N GLY 302.A O no hydrogen 2.919 N/A ASN 300.A N GLU 53.A OE1 no hydrogen 3.291 N/A ASN 300.A ND2 HIS 17.A O no hydrogen 3.082 N/A GLY 302.A N ALA 299.A O no hydrogen 2.954 N/A ILE 303.A N SER 329.A O no hydrogen 3.049 N/A ILE 304.A N TYR 297.A O no hydrogen 2.922 N/A ALA 305.A N VAL 331.A O no hydrogen 2.922 N/A GLN 307.A N ILE 333.A O no hydrogen 2.951 N/A GLN 307.A NE2 PRO 306.A O no hydrogen 2.849 N/A GLN 307.A NE2 ASP 314.A O no hydrogen 3.601 N/A PHE 308.A N ASP 314.A OD1 no hydrogen 2.813 N/A GLY 309.A N ASP 314.A OD2 no hydrogen 2.873 N/A ARG 313.A N ASP 310.A OD2 no hydrogen 2.730 N/A ARG 313.A NH1 ILE 261.A O no hydrogen 2.866 N/A ASP 314.A N ASP 310.A O no hydrogen 2.748 N/A LYS 315.A N PRO 311.A O no hydrogen 3.097 N/A GLU 316.A N ILE 312.A O no hydrogen 2.968 N/A ALA 317.A N ARG 313.A O no hydrogen 2.866 N/A ILE 318.A N ASP 314.A O no hydrogen 3.341 N/A ARG 319.A N LYS 315.A O no hydrogen 3.328 N/A ARG 319.A NE GLU 316.A OE1 no hydrogen 3.267 N/A ARG 319.A NE GLU 316.A OE2 no hydrogen 3.290 N/A ARG 319.A NH2 GLU 316.A OE2 no hydrogen 2.536 N/A VAL 320.A N GLU 316.A O no hydrogen 3.129 N/A LEU 321.A N ALA 317.A O no hydrogen 2.787 N/A SER 322.A N ILE 318.A O no hydrogen 2.900 N/A SER 322.A OG ILE 318.A O no hydrogen 2.857 N/A ASP 323.A N ARG 319.A O no hydrogen 2.998 N/A THR 324.A N LEU 321.A O no hydrogen 2.819 N/A THR 324.A OG1 VAL 320.A O no hydrogen 3.040 N/A PHE 325.A N LEU 321.A O no hydrogen 2.998 N/A HIS 328.A N PHE 325.A O no hydrogen 2.863 N/A SER 329.A N GLY 301.A O no hydrogen 2.726 N/A VAL 331.A N ILE 303.A O no hydrogen 2.751 N/A ILE 333.A N ALA 305.A O no hydrogen 2.918 N/A ALA 336.A N GLN 307.A O no hydrogen 3.038 N/A ARG 337.A NE GLU 270.A OE2 no hydrogen 3.156 N/A ARG 337.A NH2 TYR 266.A O no hydrogen 2.744 N/A ARG 337.A NH2 GLU 270.A OE1 no hydrogen 2.819 N/A ARG 337.A NH2 GLU 270.A OE2 no hydrogen 3.479 N/A GLU 338.A N ASN 335.A O no hydrogen 2.569 N/A ILE 339.A N ALA 336.A O no hydrogen 3.160 N/A VAL 340.A N ALA 336.A O no hydrogen 3.201 N/A ALA 342.A N ILE 339.A O no hydrogen 3.326 N/A GLY 343.A N VAL 340.A O no hydrogen 2.852 N/A ILE 349.A N ILE 346.A O no hydrogen 3.055 N/A THR 350.A N HIS 347.A O no hydrogen 2.963 N/A THR 350.A OG1 ILE 346.A O no hydrogen 3.489 N/A THR 350.A OG1 HIS 347.A O no hydrogen 2.782 N/A GLN 351.A N TRP 21.A O no hydrogen 2.622 N/A GLN 352.A N GLN 352.A OE1 no hydrogen 3.017 N/A GLN 353.A N GLN 19.A O no hydrogen 3.022 N/A ALA 355.A N SER 16.A O no hydrogen 2.824 N/A