Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tho_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LEU 237.A O no hydrogen 2.322 N/A LYS 2.A N ASP 45.A OD2 no hydrogen 2.517 N/A LYS 2.A NZ GLU 43.A O no hydrogen 3.521 N/A ILE 3.A N VAL 235.A O no hydrogen 2.723 N/A LEU 4.A N LEU 46.A O no hydrogen 2.899 N/A HIS 5.A N VAL 233.A O no hydrogen 2.889 N/A HIS 5.A ND1 TYR 194.A OH no hydrogen 2.812 N/A HIS 5.A NE2 THR 50.A OG1 no hydrogen 3.017 N/A THR 6.A N LEU 48.A O no hydrogen 3.025 N/A SER 7.A OG ASP 8.A OD1 no hydrogen 2.568 N/A SER 7.A OG THR 50.A OG1 no hydrogen 2.830 N/A SER 7.A OG GLY 51.A O no hydrogen 3.459 N/A ASP 8.A N GLY 51.A O no hydrogen 2.906 N/A TRP 9.A NE1 THR 6.A OG1 no hydrogen 3.128 N/A HIS 10.A N ASP 52.A O no hydrogen 2.879 N/A HIS 10.A ND1 HIS 55.A ND1 no hydrogen 3.051 N/A LEU 11.A N LEU 53.A O no hydrogen 2.841 N/A VAL 13.A N HIS 10.A O no hydrogen 3.236 N/A SER 15.A N VAL 22.A O no hydrogen 2.684 N/A TRP 16.A NE1 ASP 222.A OD1 no hydrogen 2.274 N/A SER 19.A OG VAL 304.A O no hydrogen 2.124 N/A ARG 20.A NE LEU 303.A O no hydrogen 3.256 N/A VAL 22.A N SER 15.A O no hydrogen 2.804 N/A ARG 24.A N VAL 13.A O no hydrogen 3.212 N/A ARG 24.A NE GLU 27.A OE1 no hydrogen 3.121 N/A ARG 24.A NH1 SER 15.A OG no hydrogen 2.742 N/A ARG 24.A NH1 ARG 220.A O no hydrogen 3.055 N/A ARG 24.A NH2 GLU 27.A OE1 no hydrogen 2.834 N/A ARG 24.A NH2 ARG 220.A O no hydrogen 2.918 N/A ARG 25.A N ASP 23.A OD1 no hydrogen 3.517 N/A ARG 25.A NE ASP 67.A OD2 no hydrogen 2.920 N/A ARG 25.A NH2 ASP 67.A OD1 no hydrogen 3.240 N/A LEU 28.A N ARG 24.A O no hydrogen 2.877 N/A LYS 29.A N ARG 25.A O no hydrogen 2.676 N/A LYS 29.A NZ ASP 67.A OD1 no hydrogen 2.879 N/A LYS 30.A N GLU 26.A O no hydrogen 3.211 N/A ALA 31.A N GLU 27.A O no hydrogen 3.038 N/A LEU 32.A N LEU 28.A O no hydrogen 2.856 N/A ASP 33.A N LYS 29.A O no hydrogen 2.877 N/A LYS 34.A N LYS 30.A O no hydrogen 3.004 N/A LYS 34.A NZ SER 251.A OG no hydrogen 2.842 N/A VAL 35.A N ALA 31.A O no hydrogen 2.964 N/A VAL 36.A N LEU 32.A O no hydrogen 2.849 N/A GLU 37.A N ASP 33.A O no hydrogen 2.914 N/A GLU 38.A N LYS 34.A O no hydrogen 3.099 N/A ALA 39.A N VAL 35.A O no hydrogen 2.982 N/A GLU 40.A N VAL 36.A O no hydrogen 3.007 N/A LYS 41.A N GLU 37.A O no hydrogen 2.899 N/A ARG 42.A N GLU 38.A O no hydrogen 3.023 N/A ARG 42.A NE GLU 38.A OE1 no hydrogen 2.528 N/A ARG 42.A NH1 GLU 246.A OE1 no hydrogen 2.936 N/A ARG 42.A NH2 GLU 38.A OE2 no hydrogen 3.134 N/A GLU 43.A N GLU 40.A O no hydrogen 2.795 N/A VAL 44.A N ALA 39.A O no hydrogen 3.364 N/A ASP 45.A N LYS 2.A O no hydrogen 2.545 N/A LEU 46.A N LYS 2.A O no hydrogen 2.967 N/A ILE 47.A N PRO 80.A O no hydrogen 2.887 N/A LEU 48.A N LEU 4.A O no hydrogen 2.780 N/A LEU 49.A N VAL 82.A O no hydrogen 2.949 N/A THR 50.A N THR 6.A O no hydrogen 3.341 N/A THR 50.A OG1 HIS 5.A NE2 no hydrogen 3.017 N/A THR 50.A OG1 SER 7.A OG no hydrogen 2.830 N/A THR 50.A OG1 LEU 197.A O no hydrogen 2.973 N/A LEU 54.A N ASP 89.A OD1 no hydrogen 2.727 N/A HIS 55.A N LEU 11.A O no hydrogen 3.032 N/A HIS 55.A ND1 HIS 10.A ND1 no hydrogen 3.051 N/A ARG 57.A NH2 ASP 89.A O no hydrogen 2.845 N/A ASN 59.A N SER 56.A OG no hydrogen 3.002 N/A ALA 64.A N SER 61.A OG no hydrogen 2.646 N/A LEU 65.A N SER 61.A O no hydrogen 3.238 N/A HIS 66.A N VAL 62.A O no hydrogen 3.013 N/A ASP 67.A N VAL 63.A O no hydrogen 2.825 N/A LEU 68.A N ALA 64.A O no hydrogen 2.750 N/A LEU 69.A N LEU 65.A O no hydrogen 2.958 N/A ASP 70.A N HIS 66.A O no hydrogen 3.009 N/A TYR 71.A N ASP 67.A O no hydrogen 2.872 N/A TYR 71.A OH ASP 33.A OD1 no hydrogen 2.589 N/A LEU 72.A N LEU 68.A O no hydrogen 2.861 N/A LYS 73.A N LEU 69.A O no hydrogen 2.857 N/A ARG 74.A N ASP 70.A O no hydrogen 2.836 N/A ARG 74.A NH2 ASP 33.A OD1 no hydrogen 2.908 N/A MET 75.A N TYR 71.A O no hydrogen 2.842 N/A MET 76.A N LEU 72.A O no hydrogen 2.872 N/A ARG 77.A N LYS 73.A O no hydrogen 3.272 N/A ARG 77.A N ARG 74.A O no hydrogen 3.258 N/A THR 78.A N MET 75.A O no hydrogen 2.985 N/A ALA 79.A N MET 75.A O no hydrogen 3.115 N/A VAL 81.A N ASP 106.A O no hydrogen 2.895 N/A VAL 82.A N ILE 47.A O no hydrogen 2.678 N/A VAL 83.A N THR 108.A O no hydrogen 2.923 N/A LEU 84.A N LEU 49.A O no hydrogen 2.866 N/A GLY 86.A N ASP 89.A OD2 no hydrogen 2.831 N/A GLN 88.A N ASP 52.A OD1 no hydrogen 2.962 N/A ASP 89.A N GLY 86.A O no hydrogen 3.221 N/A LYS 91.A N ARG 57.A O no hydrogen 3.166 N/A LEU 93.A N TRP 90.A O no hydrogen 3.060 N/A PHE 96.A N GLY 92.A O no hydrogen 3.130 N/A GLY 97.A N LEU 93.A O no hydrogen 2.533 N/A ASN 98.A N LYS 94.A O no hydrogen 2.572 N/A PHE 99.A N LEU 95.A O no hydrogen 2.884 N/A VAL 100.A N PHE 96.A O no hydrogen 2.850 N/A THR 101.A N GLY 97.A O no hydrogen 3.009 N/A SER 102.A OG PHE 99.A O no hydrogen 2.895 N/A SER 104.A N VAL 100.A O no hydrogen 3.207 N/A ASP 106.A N SER 104.A OG no hydrogen 2.866 N/A THR 108.A N VAL 81.A O no hydrogen 3.081 N/A VAL 110.A N VAL 83.A O no hydrogen 3.020 N/A GLU 114.A N SER 112.A OG no hydrogen 3.001 N/A VAL 116.A N ILE 128.A O no hydrogen 3.185 N/A VAL 118.A N VAL 126.A O no hydrogen 2.716 N/A ALA 120.A N GLN 124.A O no hydrogen 2.913 N/A LYS 121.A N ASP 45.A O no hydrogen 3.071 N/A LYS 121.A NZ THR 78.A O no hydrogen 3.278 N/A ARG 122.A NH2 ASP 45.A OD2 no hydrogen 3.310 N/A GLY 123.A N ALA 120.A O no hydrogen 3.184 N/A GLN 124.A N GLN 124.A OE1 no hydrogen 2.528 N/A LYS 125.A N ASP 163.A OD2 no hydrogen 2.870 N/A VAL 126.A N VAL 118.A O no hydrogen 2.761 N/A ARG 127.A N PHE 164.A O no hydrogen 2.856 N/A ILE 128.A N VAL 116.A O no hydrogen 3.004 N/A LEU 129.A N ILE 166.A O no hydrogen 2.796 N/A PHE 131.A N MET 168.A O no hydrogen 2.739 N/A ASP 142.A N LYS 138.A O no hydrogen 2.931 N/A PHE 143.A N ASN 139.A O no hydrogen 2.912 N/A ARG 144.A N GLU 140.A O no hydrogen 2.737 N/A ARG 144.A NH1 ILE 182.A O no hydrogen 3.448 N/A ARG 144.A NH2 ILE 182.A O no hydrogen 2.613 N/A PHE 145.A N GLY 141.A O no hydrogen 2.744 N/A PHE 146.A N ASP 142.A O no hydrogen 2.803 N/A LEU 147.A N PHE 143.A O no hydrogen 2.788 N/A GLU 148.A N ARG 144.A O no hydrogen 2.779 N/A SER 149.A N PHE 145.A O no hydrogen 3.054 N/A SER 149.A OG PHE 146.A O no hydrogen 2.847 N/A ARG 150.A N PHE 146.A O no hydrogen 3.159 N/A LEU 151.A N LEU 147.A O no hydrogen 3.028 N/A ASN 152.A N GLU 148.A O no hydrogen 2.696 N/A LYS 153.A N SER 149.A O no hydrogen 2.941 N/A LEU 154.A N ARG 150.A O no hydrogen 3.090 N/A TYR 155.A N LEU 151.A O no hydrogen 3.138 N/A GLU 156.A N ASN 152.A O no hydrogen 3.059 N/A GLU 157.A N LYS 153.A O no hydrogen 2.890 N/A ALA 158.A N LEU 154.A O no hydrogen 2.730 N/A LEU 159.A N TYR 155.A O no hydrogen 3.126 N/A LEU 159.A N GLU 156.A O no hydrogen 2.999 N/A LYS 160.A N GLU 157.A O no hydrogen 3.307 N/A LYS 160.A NZ GLU 157.A OE2 no hydrogen 2.094 N/A LYS 161.A N ALA 158.A O no hydrogen 3.233 N/A LYS 161.A NZ ASP 193.A OD2 no hydrogen 3.298 N/A PHE 164.A N LYS 125.A O no hydrogen 2.959 N/A ALA 165.A N ASP 193.A OD1 no hydrogen 2.765 N/A ILE 166.A N ARG 127.A O no hydrogen 2.718 N/A PHE 167.A N TYR 194.A O no hydrogen 2.884 N/A MET 168.A N LEU 129.A O no hydrogen 2.920 N/A GLY 169.A N ALA 196.A O no hydrogen 2.853 N/A HIS 170.A N PHE 131.A O no hydrogen 3.065 N/A HIS 170.A ND1 THR 50.A O no hydrogen 2.650 N/A HIS 170.A NE2 ASN 87.A OD1 no hydrogen 3.094 N/A THR 172.A OG1 GLU 180.A OE1 no hydrogen 2.397 N/A VAL 173.A N TYR 214.A OH no hydrogen 3.040 N/A GLU 174.A N ILE 183.A O no hydrogen 3.394 N/A ILE 183.A N THR 172.A O no hydrogen 3.037 N/A ARG 185.A NH1 GLN 207.A OE1 no hydrogen 3.063 N/A ALA 186.A N ASN 184.A OD1 no hydrogen 2.732 N/A LEU 187.A N ASN 184.A O no hydrogen 3.070 N/A ILE 188.A N ARG 185.A O no hydrogen 2.950 N/A VAL 192.A N PRO 189.A O no hydrogen 3.424 N/A ASP 193.A N ALA 165.A O no hydrogen 2.844 N/A TYR 194.A OH HIS 5.A ND1 no hydrogen 2.812 N/A ALA 195.A N LEU 211.A O no hydrogen 2.820 N/A ALA 196.A N PHE 167.A O no hydrogen 2.782 N/A LEU 197.A N ILE 213.A O no hydrogen 2.826 N/A GLY 198.A N GLY 169.A O no hydrogen 3.112 N/A HIS 199.A N ASP 8.A OD1 no hydrogen 2.863 N/A HIS 199.A NE2 GLU 180.A OE2 no hydrogen 2.722 N/A HIS 201.A ND1 GLU 225.A OE1 no hydrogen 2.788 N/A SER 202.A OG ASP 228.A OD2 no hydrogen 2.852 N/A PHE 203.A N GLU 229.A O no hydrogen 3.341 N/A ARG 204.A N TYR 214.A O no hydrogen 2.861 N/A ILE 206.A N THR 212.A O no hydrogen 2.641 N/A GLN 207.A NE2 ARG 185.A O no hydrogen 3.256 N/A GLN 207.A NE2 THR 212.A OG1 no hydrogen 3.004 N/A THR 212.A N GLN 207.A O no hydrogen 2.956 N/A THR 212.A OG1 PRO 210.A O no hydrogen 2.899 N/A ILE 213.A N ALA 195.A O no hydrogen 3.043 N/A TYR 214.A N ARG 204.A O no hydrogen 3.035 N/A TYR 214.A OH PHE 171.A O no hydrogen 2.482 N/A SER 217.A N HIS 201.A O no hydrogen 2.734 N/A SER 217.A OG HIS 201.A O no hydrogen 3.201 N/A SER 217.A OG ILE 219.A O no hydrogen 2.886 N/A ARG 220.A NE GLU 225.A O no hydrogen 3.070 N/A ARG 220.A NH2 ASP 228.A O no hydrogen 2.716 N/A ILE 221.A N GLU 225.A OE2 no hydrogen 3.112 N/A GLU 225.A N ASP 222.A O no hydrogen 2.785 N/A LYS 230.A NZ HIS 201.A O no hydrogen 2.944 N/A LYS 230.A NZ SER 217.A OG no hydrogen 3.142 N/A LYS 230.A NZ GLU 225.A OE2 no hydrogen 2.622 N/A LYS 230.A NZ ASP 228.A OD2 no hydrogen 2.829 N/A ALA 232.A N ILE 248.A O no hydrogen 3.087 N/A VAL 233.A N HIS 5.A O no hydrogen 2.977 N/A PHE 234.A N GLU 246.A O no hydrogen 2.802 N/A VAL 235.A N ILE 3.A O no hydrogen 2.833 N/A GLU 236.A N ARG 244.A O no hydrogen 2.841 N/A LEU 237.A N MET 1.A O no hydrogen 2.760 N/A GLU 241.A N LYS 238.A O no hydrogen 2.922 N/A ARG 244.A N GLU 236.A O no hydrogen 3.194 N/A TYR 245.A OH GLU 205.A OE2 no hydrogen 2.602 N/A GLU 246.A N PHE 234.A O no hydrogen 2.976 N/A ILE 248.A N ALA 232.A O no hydrogen 2.858 N/A ALA 250.A N LYS 230.A O no hydrogen 2.753 N/A SER 251.A N ASP 249.A OD1 no hydrogen 2.732 N/A SER 251.A OG ASP 249.A OD1 no hydrogen 3.224 N/A LYS 256.A N TYR 281.A O no hydrogen 3.183 N/A LYS 256.A NZ SER 274.A O no hydrogen 2.790 N/A THR 257.A OG1 GLU 226.A OE2 no hydrogen 2.333 N/A LEU 258.A N ARG 283.A O no hydrogen 2.651 N/A TYR 260.A N VAL 285.A O no hydrogen 3.269 N/A LYS 262.A NZ ILE 263.A O no hydrogen 3.154 N/A ILE 263.A N GLU 288.A O no hydrogen 3.131 N/A SER 266.A N ASP 264.A OD1 no hydrogen 3.373 N/A ALA 267.A N ASP 264.A OD2 no hydrogen 3.521 N/A LEU 268.A N ASP 264.A O no hydrogen 2.768 N/A LYS 269.A N THR 265.A O no hydrogen 3.150 N/A LYS 269.A N SER 266.A O no hydrogen 2.586 N/A LYS 269.A NZ ASP 273.A OD2 no hydrogen 3.224 N/A SER 270.A N SER 266.A O no hydrogen 2.951 N/A SER 270.A OG TYR 260.A OH no hydrogen 3.150 N/A SER 270.A OG SER 266.A O no hydrogen 3.252 N/A SER 270.A OG ALA 267.A O no hydrogen 3.096 N/A ILE 271.A N ALA 267.A O no hydrogen 2.933 N/A ARG 272.A N LEU 268.A O no hydrogen 3.445 N/A ASP 273.A N LYS 269.A O no hydrogen 2.953 N/A SER 274.A N SER 270.A O no hydrogen 2.656 N/A SER 274.A OG SER 270.A O no hydrogen 2.934 N/A CYS 275.A N ILE 271.A O no hydrogen 3.058 N/A CYS 275.A SG ILE 271.A O no hydrogen 3.359 N/A ARG 276.A NH2 ASP 273.A OD1 no hydrogen 2.443 N/A PHE 278.A N CYS 275.A O no hydrogen 3.296 N/A TYR 281.A N PRO 254.A O no hydrogen 3.033 N/A VAL 282.A N ASN 302.A O no hydrogen 2.864 N/A ARG 283.A N LYS 256.A O no hydrogen 2.820 N/A ARG 283.A NE THR 257.A OG1 no hydrogen 2.772 N/A ARG 283.A NH1 GLU 307.A OE1 no hydrogen 3.282 N/A ARG 283.A NH2 THR 257.A OG1 no hydrogen 2.895 N/A VAL 284.A N LYS 305.A O no hydrogen 2.985 N/A VAL 285.A N LEU 258.A O no hydrogen 2.920 N/A TYR 286.A N GLU 307.A O no hydrogen 2.994 N/A GLU 288.A N LYS 261.A O no hydrogen 2.743 N/A ILE 292.A N ASP 289.A OD2 no hydrogen 2.982 N/A LEU 293.A N ASP 289.A OD1 no hydrogen 2.985 N/A LEU 296.A N ILE 292.A O no hydrogen 2.669 N/A MET 297.A N LEU 293.A O no hydrogen 2.666 N/A GLY 298.A N PRO 294.A O no hydrogen 3.244 N/A GLU 299.A N LEU 296.A O no hydrogen 2.668 N/A ILE 300.A N LEU 296.A O no hydrogen 2.979 N/A ASN 302.A ND2 CYS 275.A O no hydrogen 3.060 N/A ASN 302.A ND2 PHE 278.A O no hydrogen 3.555 N/A LEU 303.A N ILE 300.A O no hydrogen 3.385 N/A VAL 304.A N VAL 282.A O no hydrogen 2.923 N/A GLU 307.A N VAL 284.A O no hydrogen 3.025 N/A ARG 308.A NH1 TYR 286.A OH no hydrogen 3.235 N/A LYS 309.A N TYR 286.A O no hydrogen 2.966 N/A ILE 314.A N ARG 311.A O no hydrogen 2.898 N/A GLU 315.A N ARG 311.A O no hydrogen 2.620 N/A GLU 316.A N ARG 312.A O no hydrogen 3.086 N/A GLU 320.A N GLU 316.A O no hydrogen 2.813 N/A SER 321.A N GLU 324.A OE1 no hydrogen 2.422 N/A SER 321.A OG GLU 324.A OE2 no hydrogen 3.073 N/A GLU 323.A N SER 321.A OG no hydrogen 3.027 N/A PHE 325.A N SER 321.A O no hydrogen 2.680 N/A LYS 326.A N PRO 322.A O no hydrogen 3.321 N/A LYS 326.A NZ ASP 330.A OD1 no hydrogen 2.403 N/A GLU 328.A N GLU 324.A O no hydrogen 2.955 N/A LEU 329.A N PHE 325.A O no hydrogen 3.024 N/A ASP 330.A N LYS 326.A O no hydrogen 2.940 N/A LYS 331.A N GLU 327.A O no hydrogen 2.698 N/A LEU 332.A N LEU 329.A O no hydrogen 2.800 N/A PHE 335.A N ASP 333.A OD2 no hydrogen 2.659 N/A GLU 336.A N ASP 333.A OD2 no hydrogen 3.428 N/A LEU 337.A N ASP 333.A O no hydrogen 3.079 N/A LYS 339.A N PHE 335.A O no hydrogen 2.923 N/A LEU 342.A N PHE 338.A O no hydrogen 3.316 N/A LEU 342.A N LYS 339.A O no hydrogen 2.733 N/A LYS 343.A N LYS 339.A O no hydrogen 3.026 N/A LYS 344.A N GLU 340.A O no hydrogen 2.927 N/A ARG 345.A N TYR 341.A O no hydrogen 3.254 N/A GLU 346.A N LEU 342.A O no hydrogen 2.947 N/A GLU 347.A N LEU 342.A O no hydrogen 2.990 N/A ASN 348.A N GLU 346.A O no hydrogen 2.387 N/A LEU 353.A N GLU 350.A O no hydrogen 2.907 N/A LYS 354.A N GLU 350.A O no hydrogen 3.151 N/A ILE 355.A N LYS 351.A O no hydrogen 2.192 N/A LEU 356.A N LEU 352.A O no hydrogen 2.635 N/A ASP 357.A N LEU 353.A O no hydrogen 2.408 N/A GLU 358.A N LYS 354.A O no hydrogen 3.417 N/A LEU 359.A N ILE 355.A O no hydrogen 3.105 N/A LEU 360.A N LEU 356.A O no hydrogen 2.816 N/A ASP 361.A N ASP 357.A O no hydrogen 2.822 N/A GLU 362.A N GLU 358.A O no hydrogen 2.582 N/A VAL 363.A N LEU 359.A O no hydrogen 3.337 N/A LYS 364.A N LEU 360.A O no hydrogen 3.179 N/A LYS 365.A N GLU 362.A O no hydrogen 2.930 N/A SER 366.A N VAL 363.A O no hydrogen 2.746 N/A SER 366.A OG VAL 363.A O no hydrogen 2.515 N/A