Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tho_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N GLN 77.A O no hydrogen 2.485 N/A ARG 7.A N GLN 77.A O no hydrogen 2.988 N/A ARG 7.A NH1 GLN 77.A OE1 no hydrogen 3.166 N/A LEU 8.A N ILE 21.A O no hydrogen 2.999 N/A THR 9.A N VAL 75.A O no hydrogen 2.822 N/A THR 9.A OG1 ASP 20.A OD1 no hydrogen 2.187 N/A VAL 10.A N VAL 19.A O no hydrogen 2.729 N/A ARG 11.A N ARG 73.A O no hydrogen 2.890 N/A ARG 11.A NH2 ASP 69.A OD2 no hydrogen 2.621 N/A ASN 12.A N LYS 17.A O no hydrogen 2.646 N/A ASN 12.A ND2 ASP 69.A O no hydrogen 3.169 N/A PHE 13.A N LEU 16.A O no hydrogen 3.064 N/A LEU 14.A N TYR 62.A O no hydrogen 2.760 N/A GLY 15.A N SER 40.A OG no hydrogen 3.331 N/A LEU 16.A N PHE 13.A O no hydrogen 2.749 N/A LYS 17.A N GLY 354.A O no hydrogen 2.879 N/A VAL 19.A N VAL 10.A O no hydrogen 2.899 N/A ILE 21.A N LEU 8.A O no hydrogen 2.856 N/A PHE 23.A N GLU 6.A O no hydrogen 2.999 N/A GLY 26.A N LYS 330.A O no hydrogen 2.643 N/A THR 28.A N ILE 332.A O no hydrogen 2.814 N/A VAL 29.A N ARG 347.A O no hydrogen 3.016 N/A VAL 30.A N PHE 334.A O no hydrogen 2.804 N/A GLU 31.A N LEU 349.A O no hydrogen 2.814 N/A ALA 36.A N PRO 33.A O no hydrogen 3.052 N/A LYS 38.A NZ GLY 32.A O no hydrogen 2.827 N/A LYS 38.A NZ PRO 33.A O no hydrogen 2.917 N/A SER 39.A OG ASP 304.A OD1 no hydrogen 2.837 N/A SER 39.A OG ASP 304.A OD2 no hydrogen 2.715 N/A SER 39.A OG GLU 305.A OE1 no hydrogen 2.804 N/A LEU 41.A N GLY 37.A O no hydrogen 3.112 N/A GLU 43.A N SER 39.A O no hydrogen 2.889 N/A ALA 44.A N SER 40.A O no hydrogen 2.828 N/A ILE 45.A N LEU 41.A O no hydrogen 3.378 N/A ILE 45.A N PHE 42.A O no hydrogen 3.293 N/A SER 46.A N PHE 42.A O no hydrogen 3.413 N/A SER 46.A OG ASN 52.A O no hydrogen 3.147 N/A PHE 47.A N GLU 43.A O no hydrogen 2.694 N/A ALA 48.A N ALA 44.A O no hydrogen 2.713 N/A LEU 49.A N ILE 45.A O no hydrogen 2.931 N/A PHE 50.A N SER 46.A O no hydrogen 2.897 N/A GLY 51.A N PHE 47.A O no hydrogen 2.701 N/A ARG 55.A NE GLU 43.A OE1 no hydrogen 3.463 N/A ARG 55.A NE GLU 43.A OE2 no hydrogen 2.822 N/A ARG 55.A NH2 GLU 43.A OE2 no hydrogen 2.899 N/A TYR 56.A N TYR 62.A OH no hydrogen 2.602 N/A ASP 61.A N ASN 58.A O no hydrogen 3.022 N/A TYR 62.A N SER 59.A O no hydrogen 2.839 N/A TYR 62.A OH TYR 56.A O no hydrogen 2.672 N/A VAL 63.A N TYR 60.A O no hydrogen 3.266 N/A ASN 64.A N ASN 12.A O no hydrogen 3.023 N/A ASN 64.A ND2 LEU 16.A O no hydrogen 3.114 N/A ASN 66.A N ASN 64.A OD1 no hydrogen 2.651 N/A ALA 67.A N ASN 64.A O no hydrogen 3.043 N/A THR 71.A N ASP 69.A O no hydrogen 2.770 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 3.455 N/A ALA 72.A N ILE 91.A O no hydrogen 2.790 N/A ARG 73.A N ARG 11.A O no hydrogen 3.041 N/A ARG 73.A NE GLU 90.A OE1 no hydrogen 2.769 N/A LEU 74.A N ARG 89.A O no hydrogen 3.071 N/A VAL 75.A N THR 9.A O no hydrogen 2.796 N/A PHE 76.A N ILE 87.A O no hydrogen 2.931 N/A GLN 77.A N ARG 7.A O no hydrogen 2.709 N/A GLN 77.A NE2 GLU 86.A OE1 no hydrogen 3.160 N/A PHE 78.A N TYR 85.A O no hydrogen 3.130 N/A ARG 80.A N LYS 83.A O no hydrogen 3.123 N/A TYR 85.A N PHE 78.A O no hydrogen 3.177 N/A GLU 86.A N SER 103.A O no hydrogen 2.907 N/A ILE 87.A N PHE 76.A O no hydrogen 2.842 N/A ILE 88.A N LYS 101.A O no hydrogen 2.840 N/A ARG 89.A N LEU 74.A O no hydrogen 3.000 N/A ARG 89.A NE ALA 48.A O no hydrogen 2.688 N/A ARG 89.A NH1 HIS 98.A NE2 no hydrogen 3.371 N/A ARG 89.A NH2 ALA 48.A O no hydrogen 2.855 N/A ARG 89.A NH2 LEU 49.A O no hydrogen 3.250 N/A GLU 90.A N ASN 99.A O no hydrogen 2.724 N/A ILE 91.A N ALA 72.A O no hydrogen 2.881 N/A ASN 92.A N LYS 97.A O no hydrogen 2.921 N/A ASN 92.A ND2 THR 71.A OG1 no hydrogen 2.847 N/A ALA 93.A N GLY 70.A O no hydrogen 3.160 N/A GLN 95.A N ASN 92.A OD1 no hydrogen 2.509 N/A ASN 99.A N GLU 90.A O no hydrogen 2.784 N/A LEU 102.A N ALA 115.A O no hydrogen 2.631 N/A SER 103.A N GLU 86.A O no hydrogen 3.065 N/A GLU 104.A N ALA 112.A O no hydrogen 2.945 N/A ILE 105.A N ARG 84.A O no hydrogen 2.815 N/A LYS 110.A N ASN 108.A O no hydrogen 2.093 N/A LYS 111.A NZ GLU 86.A OE2 no hydrogen 3.392 N/A ALA 112.A N GLU 104.A O no hydrogen 2.863 N/A ILE 114.A N LEU 102.A O no hydrogen 2.691 N/A ALA 115.A N LEU 102.A O no hydrogen 3.166 N/A SER 120.A OG ALA 116.A O no hydrogen 2.549 N/A SER 120.A OG LYS 117.A O no hydrogen 3.154 N/A VAL 121.A N LYS 117.A O no hydrogen 3.218 N/A LYS 122.A N PRO 118.A O no hydrogen 3.107 N/A GLN 123.A N THR 119.A O no hydrogen 3.135 N/A GLU 124.A N SER 120.A O no hydrogen 2.828 N/A VAL 125.A N VAL 121.A O no hydrogen 2.865 N/A GLU 126.A N LYS 122.A O no hydrogen 2.954 N/A LYS 127.A N GLN 123.A O no hydrogen 3.144 N/A ILE 128.A N GLU 124.A O no hydrogen 2.794 N/A LEU 129.A N VAL 125.A O no hydrogen 2.756 N/A GLY 130.A N GLU 126.A O no hydrogen 2.533 N/A GLU 132.A N ASP 164.A OD1 no hydrogen 3.068 N/A PHE 136.A N GLU 132.A O no hydrogen 3.118 N/A PHE 136.A N HIS 133.A O no hydrogen 3.046 N/A ILE 137.A N HIS 133.A O no hydrogen 3.190 N/A THR 139.A N PHE 136.A O no hydrogen 3.507 N/A THR 139.A OG1 THR 135.A O no hydrogen 2.611 N/A THR 139.A OG1 PHE 136.A O no hydrogen 3.268 N/A VAL 140.A N PHE 136.A O no hydrogen 3.443 N/A PHE 141.A N PHE 136.A O no hydrogen 3.061 N/A LEU 142.A N PHE 302.A O no hydrogen 3.160 N/A GLU 146.A N PRO 143.A O no hydrogen 2.918 N/A LYS 149.A N GLU 146.A O no hydrogen 3.202 N/A ILE 152.A N ASP 148.A O no hydrogen 3.151 N/A SER 153.A N LEU 150.A O no hydrogen 2.743 N/A SER 153.A OG LYS 149.A O no hydrogen 2.631 N/A SER 153.A OG LEU 150.A O no hydrogen 3.250 N/A ILE 158.A N PRO 154.A O no hydrogen 2.998 N/A THR 159.A N PRO 155.A O no hydrogen 2.928 N/A THR 159.A OG1 PRO 155.A O no hydrogen 3.321 N/A THR 159.A OG1 SER 156.A O no hydrogen 3.057 N/A GLU 160.A N SER 156.A O no hydrogen 2.886 N/A ILE 161.A N ILE 158.A O no hydrogen 3.295 N/A ILE 162.A N ILE 158.A O no hydrogen 3.114 N/A SER 163.A N THR 159.A O no hydrogen 2.997 N/A SER 163.A OG THR 159.A O no hydrogen 3.526 N/A SER 163.A OG GLU 160.A O no hydrogen 2.915 N/A VAL 165.A N ILE 161.A O no hydrogen 3.076 N/A PHE 166.A N ILE 162.A O no hydrogen 3.037 N/A PHE 166.A N SER 163.A O no hydrogen 3.121 N/A SER 168.A OG THR 171.A OG1 no hydrogen 3.165 N/A THR 171.A OG1 SER 168.A OG no hydrogen 3.165 N/A THR 171.A OG1 GLU 170.A OE1 no hydrogen 3.209 N/A LEU 172.A N SER 168.A O no hydrogen 3.016 N/A GLU 173.A N LYS 169.A O no hydrogen 3.021 N/A LYS 174.A N GLU 170.A O no hydrogen 3.024 N/A LEU 175.A N THR 171.A O no hydrogen 3.250 N/A GLU 176.A N LEU 172.A O no hydrogen 3.022 N/A LYS 177.A N GLU 173.A O no hydrogen 3.480 N/A LEU 178.A N LYS 174.A O no hydrogen 2.821 N/A LEU 179.A N LEU 175.A O no hydrogen 2.923 N/A LYS 180.A N GLU 176.A O no hydrogen 3.332 N/A GLU 181.A N LYS 177.A O no hydrogen 3.452 N/A LYS 182.A N LEU 178.A O no hydrogen 2.933 N/A MET 183.A N LEU 179.A O no hydrogen 2.855 N/A LYS 184.A N LYS 180.A O no hydrogen 2.825 N/A LYS 184.A NZ LYS 180.A O no hydrogen 2.921 N/A LYS 185.A N GLU 181.A O no hydrogen 3.298 N/A GLU 187.A N MET 183.A O no hydrogen 2.720 N/A ASN 188.A N LYS 184.A O no hydrogen 2.722 N/A GLU 189.A N LYS 185.A O no hydrogen 2.826 N/A ILE 190.A N LEU 186.A O no hydrogen 2.868 N/A ILE 190.A N GLU 187.A O no hydrogen 3.049 N/A SER 191.A N GLU 187.A O no hydrogen 2.944 N/A SER 191.A OG ASN 188.A O no hydrogen 3.394 N/A SER 191.A OG SER 191.A O no hydrogen 2.330 N/A SER 192.A N ILE 190.A O no hydrogen 2.381 N/A SER 192.A OG SER 191.A O no hydrogen 2.304 N/A LEU 198.A N LEU 194.A O no hydrogen 2.949 N/A LYS 199.A N GLU 195.A O no hydrogen 2.543 N/A GLU 200.A N LYS 196.A O no hydrogen 3.235 N/A MET 201.A N LYS 197.A O no hydrogen 3.130 N/A SER 202.A N LEU 198.A O no hydrogen 2.900 N/A SER 202.A N LYS 199.A O no hydrogen 3.110 N/A ASP 203.A N LYS 199.A O no hydrogen 2.618 N/A GLU 204.A N GLU 200.A O no hydrogen 2.855 N/A ASN 206.A N SER 202.A O no hydrogen 3.057 N/A ASN 206.A ND2 SER 202.A O no hydrogen 2.998 N/A ASN 207.A N ASP 203.A O no hydrogen 3.520 N/A LEU 208.A N GLU 204.A O no hydrogen 3.449 N/A ASP 209.A N TYR 205.A O no hydrogen 3.006 N/A LEU 210.A N ASN 206.A O no hydrogen 3.006 N/A LEU 211.A N ASN 207.A O no hydrogen 2.801 N/A ARG 212.A N LEU 208.A O no hydrogen 3.084 N/A ARG 212.A NE ASP 209.A OD1 no hydrogen 3.073 N/A LYS 213.A N ASP 209.A O no hydrogen 3.078 N/A LYS 213.A NZ ASP 217.A OD1 no hydrogen 2.273 N/A TYR 214.A N LEU 210.A O no hydrogen 3.049 N/A PHE 216.A N ARG 212.A O no hydrogen 3.136 N/A SER 219.A OG SER 219.A O no hydrogen 2.367 N/A ASN 220.A N LYS 218.A O no hydrogen 2.418 N/A ARG 223.A N LYS 218.A O no hydrogen 3.431 N/A TYR 224.A N ASN 220.A O no hydrogen 3.171 N/A PHE 225.A N PHE 221.A O no hydrogen 2.568 N/A THR 226.A N SER 222.A O no hydrogen 2.918 N/A THR 226.A OG1 SER 222.A O no hydrogen 3.513 N/A THR 226.A OG1 ARG 223.A O no hydrogen 3.008 N/A GLY 227.A N ARG 223.A O no hydrogen 2.910 N/A ARG 228.A N TYR 224.A O no hydrogen 2.998 N/A VAL 229.A N PHE 225.A O no hydrogen 2.999 N/A LEU 230.A N THR 226.A O no hydrogen 2.719 N/A GLU 231.A N GLY 227.A O no hydrogen 2.781 N/A ALA 232.A N ARG 228.A O no hydrogen 3.085 N/A VAL 233.A N VAL 229.A O no hydrogen 2.918 N/A LEU 234.A N LEU 230.A O no hydrogen 2.719 N/A LYS 235.A N GLU 231.A O no hydrogen 2.921 N/A ARG 236.A N ALA 232.A O no hydrogen 3.449 N/A THR 237.A N VAL 233.A O no hydrogen 2.912 N/A THR 237.A OG1 VAL 233.A O no hydrogen 3.027 N/A THR 237.A OG1 SER 289.A OG no hydrogen 3.077 N/A LYS 238.A N LEU 234.A O no hydrogen 2.832 N/A LYS 238.A NZ ASP 250.A OD1 no hydrogen 3.019 N/A LYS 238.A NZ ILE 251.A O no hydrogen 2.785 N/A LYS 238.A NZ ASP 252.A OD1 no hydrogen 2.750 N/A ALA 239.A N LYS 235.A O no hydrogen 3.234 N/A TYR 240.A N ARG 236.A O no hydrogen 2.946 N/A TYR 240.A OH GLU 292.A OE1 no hydrogen 3.121 N/A TYR 240.A OH GLU 292.A OE2 no hydrogen 2.345 N/A LEU 241.A N THR 237.A O no hydrogen 2.830 N/A ASP 242.A N LYS 238.A O no hydrogen 2.862 N/A ILE 243.A N ALA 239.A O no hydrogen 3.086 N/A LEU 244.A N TYR 240.A O no hydrogen 2.825 N/A THR 245.A N LEU 241.A O no hydrogen 2.672 N/A THR 245.A OG1 LEU 241.A O no hydrogen 2.945 N/A ARG 248.A N THR 245.A O no hydrogen 3.017 N/A ARG 248.A NE ASP 264.A OD1 no hydrogen 2.527 N/A ARG 248.A NH2 ASP 264.A OD1 no hydrogen 3.379 N/A ARG 248.A NH2 ASP 264.A OD2 no hydrogen 2.777 N/A PHE 249.A N THR 245.A OG1 no hydrogen 2.909 N/A ASP 250.A N LYS 263.A O no hydrogen 3.057 N/A ASP 252.A N ILE 261.A O no hydrogen 2.926 N/A ASP 254.A N GLY 259.A O no hydrogen 2.980 N/A LYS 257.A N ASP 254.A O no hydrogen 3.013 N/A GLY 259.A N ASP 254.A O no hydrogen 3.071 N/A ILE 261.A N ASP 252.A O no hydrogen 2.884 N/A LYS 263.A N ASP 250.A O no hydrogen 2.903 N/A ASP 264.A N ILE 267.A O no hydrogen 2.645 N/A TRP 265.A N ARG 248.A O no hydrogen 3.021 N/A ILE 267.A N ASP 264.A O no hydrogen 2.833 N/A ARG 269.A N ILE 262.A O no hydrogen 2.932 N/A ARG 269.A NH1 ASP 264.A OD2 no hydrogen 2.698 N/A GLY 273.A N PRO 270.A O no hydrogen 2.754 N/A LEU 274.A N ALA 271.A O no hydrogen 3.049 N/A SER 275.A N GLU 278.A OE1 no hydrogen 3.070 N/A GLU 278.A N SER 275.A OG no hydrogen 2.956 N/A ARG 279.A N SER 275.A O no hydrogen 2.925 N/A ARG 279.A NH1 ALA 271.A O no hydrogen 2.624 N/A ARG 279.A NH1 LEU 274.A O no hydrogen 3.294 N/A ALA 280.A N GLY 276.A O no hydrogen 3.047 N/A LEU 281.A N GLY 277.A O no hydrogen 2.974 N/A ILE 282.A N GLU 278.A O no hydrogen 2.943 N/A SER 283.A N ARG 279.A O no hydrogen 2.938 N/A SER 283.A OG ARG 279.A O no hydrogen 2.722 N/A ILE 284.A N ALA 280.A O no hydrogen 2.813 N/A SER 285.A N LEU 281.A O no hydrogen 3.114 N/A SER 285.A OG LEU 281.A O no hydrogen 2.840 N/A LEU 286.A N ILE 282.A O no hydrogen 2.888 N/A ALA 287.A N SER 283.A O no hydrogen 2.840 N/A MET 288.A N ILE 284.A O no hydrogen 2.718 N/A SER 289.A N SER 285.A O no hydrogen 2.888 N/A SER 289.A OG THR 237.A OG1 no hydrogen 3.077 N/A SER 289.A OG SER 285.A O no hydrogen 2.887 N/A LEU 290.A N LEU 286.A O no hydrogen 2.883 N/A ALA 291.A N ALA 287.A O no hydrogen 2.953 N/A GLU 292.A N MET 288.A O no hydrogen 3.128 N/A VAL 293.A N SER 289.A O no hydrogen 3.047 N/A ALA 294.A N LEU 290.A O no hydrogen 2.836 N/A ALA 294.A N ALA 291.A O no hydrogen 3.234 N/A SER 295.A N GLU 292.A O no hydrogen 2.897 N/A SER 295.A OG ALA 291.A O no hydrogen 3.401 N/A SER 295.A OG GLU 292.A O no hydrogen 2.919 N/A ARG 297.A NE VAL 165.A O no hydrogen 2.685 N/A ARG 297.A NH1 VAL 165.A O no hydrogen 3.052 N/A LEU 298.A N ALA 294.A O no hydrogen 2.869 N/A ASP 299.A N MET 3.A O no hydrogen 2.983 N/A PHE 301.A N VAL 331.A O no hydrogen 2.831 N/A PHE 302.A N VAL 140.A O no hydrogen 2.625 N/A ILE 303.A N VAL 333.A O no hydrogen 2.874 N/A ASP 304.A N LEU 142.A O no hydrogen 3.143 N/A GLU 305.A N ILE 335.A O no hydrogen 2.860 N/A SER 308.A OG GLU 305.A O no hydrogen 3.442 N/A LEU 310.A N PHE 307.A O no hydrogen 3.129 N/A THR 312.A OG1 GLU 340.A OE1 no hydrogen 1.951 N/A LYS 315.A N CYS 311.A O no hydrogen 2.865 N/A LYS 315.A NZ LEU 310.A O no hydrogen 2.885 N/A GLU 316.A N THR 312.A O no hydrogen 3.393 N/A LYS 317.A N GLU 313.A O no hydrogen 3.327 N/A ILE 318.A N ASN 314.A O no hydrogen 2.860 N/A ALA 319.A N LYS 315.A O no hydrogen 2.902 N/A SER 320.A N GLU 316.A O no hydrogen 2.901 N/A VAL 321.A N LYS 317.A O no hydrogen 3.223 N/A LEU 322.A N ILE 318.A O no hydrogen 2.934 N/A LYS 323.A N ALA 319.A O no hydrogen 3.124 N/A GLU 324.A N VAL 321.A O no hydrogen 3.279 N/A LEU 325.A N LEU 322.A O no hydrogen 2.905 N/A GLU 326.A N LYS 323.A O no hydrogen 2.761 N/A ARG 327.A NH2 LYS 323.A O no hydrogen 3.058 N/A LEU 328.A N LEU 325.A O no hydrogen 3.195 N/A LYS 330.A NZ ALA 291.A O no hydrogen 3.022 N/A LYS 330.A NZ LEU 298.A O no hydrogen 2.729 N/A VAL 331.A N ASP 299.A O no hydrogen 2.737 N/A ILE 332.A N GLY 26.A O no hydrogen 2.906 N/A VAL 333.A N PHE 301.A O no hydrogen 3.003 N/A PHE 334.A N THR 28.A O no hydrogen 3.031 N/A ILE 335.A N ILE 303.A O no hydrogen 2.860 N/A THR 336.A N VAL 30.A O no hydrogen 2.970 N/A CYS 337.A SG ASN 34.A OD1 no hydrogen 3.911 N/A ASP 338.A N THR 336.A OG1 no hydrogen 2.804 N/A PHE 341.A N ASP 338.A OD1 no hydrogen 2.831 N/A SER 342.A N ASP 338.A O no hydrogen 2.944 N/A SER 342.A OG ASP 338.A O no hydrogen 3.375 N/A SER 342.A OG ARG 339.A O no hydrogen 3.390 N/A GLU 343.A N ARG 339.A O no hydrogen 2.834 N/A PHE 345.A N SER 342.A O no hydrogen 2.844 N/A ARG 347.A NH1 SER 25.A O no hydrogen 3.004 N/A LYS 348.A NZ SER 342.A O no hydrogen 2.523 N/A LYS 348.A NZ PHE 345.A O no hydrogen 2.334 N/A LEU 349.A N VAL 29.A O no hydrogen 3.025 N/A ARG 350.A NH2 GLU 31.A OE2 no hydrogen 3.467 N/A ILE 351.A N GLU 31.A O no hydrogen 2.826 N/A THR 352.A N VAL 355.A O no hydrogen 3.007 N/A GLY 354.A N ALA 36.A O no hydrogen 3.203 N/A VAL 355.A N THR 352.A O no hydrogen 3.206 N/A VAL 357.A N ARG 350.A O no hydrogen 3.073 N/A