Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5du2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N HIS 31.A ND1 no hydrogen 2.866 N/A ARG 4.A N ASP 92.A OD2 no hydrogen 3.156 N/A ILE 5.A N ASP 32.A O no hydrogen 2.796 N/A ALA 6.A N LEU 93.A O no hydrogen 3.017 N/A LEU 7.A N GLY 34.A O no hydrogen 2.630 N/A VAL 8.A N LEU 95.A O no hydrogen 2.695 N/A ASN 9.A ND2 SER 15.A O no hydrogen 2.924 N/A ASN 9.A ND2 TYR 35.A OH no hydrogen 3.100 N/A VAL 10.A N ASN 9.A OD1 no hydrogen 2.953 N/A ALA 11.A N TYR 55.A OH no hydrogen 3.193 N/A HIS 13.A ND1 TYR 41.A OH no hydrogen 2.985 N/A SER 15.A N ASN 12.A OD1 no hydrogen 2.957 N/A SER 15.A OG ASN 12.A OD1 no hydrogen 2.955 N/A VAL 16.A N ASN 12.A O no hydrogen 3.037 N/A LEU 17.A N HIS 13.A O no hydrogen 2.879 N/A THR 19.A N VAL 16.A O no hydrogen 3.059 N/A THR 19.A OG1 VAL 16.A O no hydrogen 2.491 N/A THR 19.A OG1 TYR 35.A OH no hydrogen 2.727 N/A LEU 20.A N LEU 17.A O no hydrogen 3.224 N/A VAL 23.A N THR 19.A O no hydrogen 3.042 N/A SER 24.A N LEU 20.A O no hydrogen 3.033 N/A SER 24.A OG LEU 20.A O no hydrogen 3.079 N/A SER 24.A OG ALA 48.A O no hydrogen 3.020 N/A GLU 25.A N PRO 21.A O no hydrogen 2.961 N/A LEU 26.A N VAL 22.A O no hydrogen 2.997 N/A ALA 27.A N VAL 23.A O no hydrogen 2.801 N/A ARG 28.A N SER 24.A O no hydrogen 2.865 N/A ARG 29.A N GLU 25.A O no hydrogen 3.128 N/A ARG 29.A NE GLU 25.A OE2 no hydrogen 2.862 N/A ARG 29.A NH1 ASP 355.A OD2 no hydrogen 2.790 N/A ARG 29.A NH1 GLU 358.A OE1 no hydrogen 2.550 N/A ARG 29.A NH2 GLU 25.A OE2 no hydrogen 3.497 N/A ARG 29.A NH2 ASP 355.A OD2 no hydrogen 2.934 N/A GLY 30.A N ALA 27.A O no hydrogen 2.944 N/A HIS 31.A N LEU 26.A O no hydrogen 3.029 N/A HIS 31.A NE2 GLU 358.A OE2 no hydrogen 2.666 N/A ASP 32.A N HIS 3.A O no hydrogen 2.896 N/A GLY 34.A N ILE 5.A O no hydrogen 2.703 N/A TYR 35.A N THR 51.A O no hydrogen 2.827 N/A TYR 35.A OH THR 19.A OG1 no hydrogen 2.727 N/A VAL 36.A N LEU 7.A O no hydrogen 2.741 N/A THR 37.A N ILE 53.A O no hydrogen 2.914 N/A SER 38.A OG GLU 40.A OE1 no hydrogen 3.004 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.825 N/A TYR 41.A N SER 38.A O no hydrogen 3.143 N/A TYR 41.A OH HIS 13.A ND1 no hydrogen 2.985 N/A ALA 42.A N PRO 39.A O no hydrogen 3.326 N/A VAL 45.A N TYR 41.A O no hydrogen 3.167 N/A GLU 46.A N ALA 42.A O no hydrogen 3.295 N/A ARG 47.A N GLY 43.A O no hydrogen 2.911 N/A ALA 48.A N MET 44.A O no hydrogen 3.221 N/A GLY 49.A N GLU 46.A O no hydrogen 2.938 N/A ALA 50.A N VAL 45.A O no hydrogen 3.000 N/A THR 51.A N VAL 33.A O no hydrogen 2.888 N/A ALA 52.A N GLU 46.A OE2 no hydrogen 2.964 N/A ILE 53.A N TYR 35.A O no hydrogen 2.766 N/A TYR 55.A N THR 37.A O no hydrogen 2.987 N/A TYR 55.A OH GLU 74.A OE2 no hydrogen 3.004 N/A SER 57.A OG GLU 74.A OE1 no hydrogen 3.325 N/A ALA 65.A N ASP 63.A OD1 no hydrogen 2.955 N/A ARG 66.A N ASP 63.A O no hydrogen 3.105 N/A LEU 69.A N ALA 65.A O no hydrogen 2.999 N/A LEU 70.A N ARG 66.A O no hydrogen 3.052 N/A TYR 71.A N PRO 67.A O no hydrogen 3.056 N/A TYR 71.A OH VAL 99.A O no hydrogen 2.854 N/A LEU 72.A N HIS 68.A O no hydrogen 3.023 N/A ALA 73.A N LEU 69.A O no hydrogen 2.822 N/A GLU 74.A N LEU 70.A O no hydrogen 2.929 N/A ASN 75.A N TYR 71.A O no hydrogen 2.991 N/A ASN 75.A ND2 TYR 71.A O no hydrogen 3.053 N/A GLU 76.A N LEU 72.A O no hydrogen 2.885 N/A ALA 77.A N ALA 73.A O no hydrogen 2.945 N/A ILE 78.A N GLU 74.A O no hydrogen 2.984 N/A LEU 79.A N ASN 75.A O no hydrogen 2.994 N/A ARG 80.A N GLU 76.A O no hydrogen 2.903 N/A ARG 80.A NE GLU 76.A OE2 no hydrogen 3.514 N/A ARG 80.A NH1 GLU 76.A OE2 no hydrogen 3.567 N/A ALA 81.A N ALA 77.A O no hydrogen 3.258 N/A ALA 82.A N ILE 78.A O no hydrogen 3.119 N/A HIS 83.A N LEU 79.A O no hydrogen 3.143 N/A ALA 84.A N ARG 80.A O no hydrogen 2.965 N/A HIS 85.A N ALA 81.A O no hydrogen 2.903 N/A TYR 86.A N ALA 82.A O no hydrogen 3.282 N/A GLY 87.A N HIS 83.A O no hydrogen 3.095 N/A ASP 92.A N ARG 4.A O no hydrogen 2.829 N/A LEU 93.A N ARG 4.A O no hydrogen 3.242 N/A VAL 94.A N PRO 114.A O no hydrogen 3.078 N/A LEU 95.A N ALA 6.A O no hydrogen 2.786 N/A TYR 96.A N CYS 116.A O no hydrogen 2.840 N/A TYR 96.A OH GLU 174.A OE2 no hydrogen 2.670 N/A GLY 97.A N VAL 8.A O no hydrogen 2.940 N/A ILE 101.A N VAL 99.A O no hydrogen 2.733 N/A ALA 103.A N ASN 75.A OD1 no hydrogen 2.889 N/A GLY 104.A N PRO 100.A O no hydrogen 2.984 N/A GLN 105.A N ILE 101.A O no hydrogen 3.135 N/A GLN 105.A NE2 ILE 101.A O no hydrogen 3.009 N/A GLN 105.A NE2 PHE 169.A O no hydrogen 2.657 N/A ALA 106.A N ILE 102.A O no hydrogen 2.916 N/A LEU 107.A N ALA 103.A O no hydrogen 3.078 N/A ALA 108.A N GLY 104.A O no hydrogen 3.142 N/A ALA 109.A N GLN 105.A O no hydrogen 3.043 N/A VAL 110.A N ALA 106.A O no hydrogen 2.855 N/A TRP 111.A N LEU 107.A O no hydrogen 2.820 N/A ARG 113.A N ALA 108.A O no hydrogen 2.778 N/A ARG 113.A NE PRO 91.A O no hydrogen 2.912 N/A ARG 113.A NH2 LYS 112.A O no hydrogen 3.205 N/A CYS 116.A N VAL 94.A O no hydrogen 2.810 N/A CYS 116.A SG ARG 117.A O no hydrogen 3.708 N/A CYS 116.A SG LEU 176.A O no hydrogen 3.688 N/A ARG 117.A N LEU 176.A O no hydrogen 3.134 N/A ARG 117.A NE TYR 96.A OH no hydrogen 3.376 N/A ARG 117.A NH2 TYR 96.A OH no hydrogen 3.099 N/A ILE 118.A N TYR 96.A O no hydrogen 2.815 N/A ASN 119.A N LEU 178.A O no hydrogen 2.786 N/A ALA 123.A N GLN 186.A OE1 no hydrogen 2.791 N/A ASN 125.A N TYR 128.A O no hydrogen 2.731 N/A ASN 125.A ND2 THR 191.A OG1 no hydrogen 2.954 N/A HIS 126.A N HIS 126.A ND1 no hydrogen 2.803 N/A VAL 127.A N ASN 125.A OD1 no hydrogen 2.910 N/A TYR 128.A N ASN 125.A OD1 no hydrogen 2.958 N/A TYR 128.A OH GLU 133.A OE1 no hydrogen 2.787 N/A TYR 130.A N SER 124.A OG no hydrogen 2.734 N/A TYR 130.A OH ASP 293.A O no hydrogen 2.674 N/A ARG 132.A N SER 129.A OG no hydrogen 2.987 N/A ARG 132.A NH2 ASN 125.A O no hydrogen 2.557 N/A GLU 133.A N SER 129.A O no hydrogen 3.068 N/A MET 134.A N TYR 130.A O no hydrogen 2.790 N/A ILE 135.A N SER 131.A O no hydrogen 2.752 N/A GLU 136.A N ARG 132.A O no hydrogen 3.344 N/A GLU 137.A N GLU 133.A O no hydrogen 3.081 N/A THR 138.A N MET 134.A O no hydrogen 2.961 N/A THR 138.A OG1 MET 134.A O no hydrogen 2.933 N/A THR 138.A OG1 ILE 135.A O no hydrogen 2.972 N/A GLY 139.A N GLU 136.A O no hydrogen 2.903 N/A GLY 140.A N ILE 135.A O no hydrogen 2.813 N/A ARG 144.A N GLU 143.A OE1 no hydrogen 3.109 N/A ARG 144.A NH2 ASP 63.A OD1 no hydrogen 2.647 N/A THR 145.A N ASP 142.A OD1 no hydrogen 3.352 N/A THR 145.A OG1 ASP 142.A OD1 no hydrogen 3.019 N/A THR 145.A OG1 ASP 142.A OD2 no hydrogen 3.140 N/A ARG 146.A N ASP 142.A O no hydrogen 2.952 N/A GLY 147.A N GLU 143.A O no hydrogen 3.046 N/A VAL 148.A N ARG 144.A O no hydrogen 3.200 N/A VAL 149.A N THR 145.A O no hydrogen 3.040 N/A ASP 150.A N ARG 146.A O no hydrogen 2.818 N/A ALA 151.A N GLY 147.A O no hydrogen 3.187 N/A ARG 152.A N VAL 148.A O no hydrogen 3.205 N/A LEU 153.A N VAL 149.A O no hydrogen 2.996 N/A ALA 154.A N ASP 150.A O no hydrogen 3.285 N/A ASP 155.A N ALA 151.A O no hydrogen 2.857 N/A LEU 156.A N ARG 152.A O no hydrogen 2.906 N/A LEU 157.A N LEU 153.A O no hydrogen 2.910 N/A ALA 158.A N ALA 154.A O no hydrogen 2.796 N/A TYR 160.A N LEU 157.A O no hydrogen 3.038 N/A GLY 161.A N ALA 158.A O no hydrogen 2.967 N/A LEU 162.A N LEU 157.A O no hydrogen 2.823 N/A ARG 165.A N LEU 162.A O no hydrogen 2.903 N/A ARG 165.A NE GLU 168.A OE1 no hydrogen 3.218 N/A ARG 165.A NH2 GLU 168.A OE2 no hydrogen 2.909 N/A ALA 166.A N ARG 163.A O no hydrogen 3.452 N/A PHE 169.A N ARG 165.A O no hydrogen 3.096 N/A ALA 170.A N ALA 166.A O no hydrogen 3.218 N/A GLU 171.A N GLY 167.A O no hydrogen 3.154 N/A GLU 171.A N GLU 168.A O no hydrogen 2.995 N/A ARG 172.A N GLU 168.A O no hydrogen 2.687 N/A ARG 172.A NE GLN 105.A OE1 no hydrogen 3.030 N/A ASP 175.A N GLU 174.A OE1 no hydrogen 2.891 N/A ASN 177.A ND2 GLU 174.A O no hydrogen 3.209 N/A ASN 177.A ND2 ARG 195.A O no hydrogen 3.059 N/A LEU 178.A N ARG 117.A O no hydrogen 2.826 N/A VAL 179.A N ALA 197.A O no hydrogen 2.745 N/A LEU 180.A N ASN 119.A O no hydrogen 2.766 N/A ARG 183.A NH1 PHE 192.A O no hydrogen 3.283 N/A ARG 183.A NH2 PHE 192.A O no hydrogen 3.312 N/A PHE 185.A N PRO 182.A O no hydrogen 2.901 N/A GLN 186.A N ARG 183.A O no hydrogen 2.985 N/A GLN 186.A NE2 ALA 123.A O no hydrogen 3.070 N/A GLN 186.A NE2 ILE 187.A O no hydrogen 2.995 N/A ASP 190.A N ASP 190.A OD1 no hydrogen 2.536 N/A THR 191.A N ALA 188.A O no hydrogen 2.975 N/A THR 191.A OG1 ALA 188.A O no hydrogen 2.697 N/A PHE 192.A N GLN 189.A O no hydrogen 3.169 N/A ARG 195.A N ASP 193.A OD1 no hydrogen 3.090 N/A ARG 195.A NE ASP 193.A OD1 no hydrogen 3.059 N/A ARG 195.A NE ASP 193.A OD2 no hydrogen 3.100 N/A ARG 195.A NH2 ASP 193.A OD2 no hydrogen 2.893 N/A PHE 196.A N ASP 193.A O no hydrogen 3.176 N/A ALA 197.A N ASN 177.A O no hydrogen 2.743 N/A VAL 199.A N VAL 179.A O no hydrogen 2.979 N/A GLY 200.A N VAL 179.A O no hydrogen 3.325 N/A ARG 201.A NE LEU 180.A O no hydrogen 3.201 N/A ARG 201.A NH2 PRO 120.A O no hydrogen 2.814 N/A TRP 205.A NE1 GLU 249.A OE2 no hydrogen 2.945 N/A SER 212.A N ASP 210.A OD1 no hydrogen 3.249 N/A SER 212.A OG ASP 210.A OD1 no hydrogen 3.309 N/A SER 212.A OG ASP 210.A OD2 no hydrogen 2.813 N/A SER 212.A OG PRO 234.A O no hydrogen 3.373 N/A VAL 215.A N HIS 236.A O no hydrogen 3.008 N/A LEU 216.A N LEU 265.A O no hydrogen 3.128 N/A ILE 217.A N VAL 238.A O no hydrogen 2.819 N/A SER 218.A N VAL 267.A O no hydrogen 2.899 N/A GLU 228.A N ARG 224.A O no hydrogen 3.073 N/A ALA 229.A N GLN 225.A O no hydrogen 2.824 N/A ALA 229.A N CYS 226.A O no hydrogen 3.186 N/A PHE 230.A N CYS 226.A O no hydrogen 3.143 N/A THR 233.A N PHE 230.A O no hydrogen 3.199 N/A THR 233.A OG1 PHE 230.A O no hydrogen 2.524 N/A HIS 236.A N PRO 213.A O no hydrogen 2.763 N/A HIS 236.A NE2 GLU 249.A OE1 no hydrogen 2.714 N/A VAL 237.A N ASN 247.A O no hydrogen 2.918 N/A VAL 238.A N VAL 215.A O no hydrogen 2.976 N/A MET 239.A N GLU 249.A O no hydrogen 2.726 N/A ALA 240.A N ILE 217.A O no hydrogen 3.027 N/A LEU 241.A N HIS 251.A O no hydrogen 3.269 N/A ASN 247.A ND2 PHE 230.A O no hydrogen 2.792 N/A ASN 247.A ND2 TRP 235.A O no hydrogen 2.843 N/A VAL 248.A N PRO 245.A O no hydrogen 3.208 N/A GLU 249.A N VAL 237.A O no hydrogen 2.610 N/A HIS 251.A N MET 239.A O no hydrogen 2.920 N/A HIS 251.A NE2 GLU 249.A OE2 no hydrogen 2.555 N/A VAL 259.A N SER 255.A O no hydrogen 3.113 N/A LEU 260.A N LEU 256.A O no hydrogen 2.875 N/A HIS 262.A N VAL 259.A O no hydrogen 2.877 N/A ARG 264.A N VAL 214.A O no hydrogen 3.005 N/A ARG 264.A NH2 ALA 328.A O no hydrogen 3.018 N/A LEU 266.A N PRO 284.A O no hydrogen 3.259 N/A VAL 267.A N LEU 216.A O no hydrogen 2.713 N/A THR 268.A N VAL 286.A O no hydrogen 2.855 N/A GLY 270.A N THR 268.A OG1 no hydrogen 3.199 N/A GLY 271.A N HIS 269.A ND1 no hydrogen 3.157 N/A VAL 275.A N GLY 271.A O no hydrogen 2.907 N/A MET 276.A N ILE 272.A O no hydrogen 2.792 N/A ASP 277.A N GLY 273.A O no hydrogen 3.069 N/A ALA 278.A N ALA 274.A O no hydrogen 3.021 N/A LEU 279.A N VAL 275.A O no hydrogen 2.931 N/A THR 280.A N MET 276.A O no hydrogen 2.928 N/A THR 280.A OG1 MET 276.A O no hydrogen 2.719 N/A ALA 281.A N ASP 277.A O no hydrogen 2.938 N/A GLY 282.A N LEU 279.A O no hydrogen 3.259 N/A ARG 283.A N ALA 278.A O no hydrogen 2.909 N/A ARG 283.A NE LEU 260.A O no hydrogen 2.902 N/A ARG 283.A NH2 LEU 260.A O no hydrogen 3.182 N/A ARG 283.A NH2 GLU 261.A O no hydrogen 3.143 N/A MET 285.A N LEU 306.A O no hydrogen 3.356 N/A VAL 286.A N LEU 266.A O no hydrogen 2.875 N/A VAL 287.A N THR 308.A O no hydrogen 2.786 N/A VAL 288.A N THR 268.A O no hydrogen 2.931 N/A THR 291.A OG1 ASP 293.A OD1 no hydrogen 3.460 N/A THR 291.A OG1 ASP 293.A OD2 no hydrogen 3.169 N/A LYS 295.A N PHE 292.A O no hydrogen 3.260 N/A LYS 295.A NZ GLU 137.A OE1 no hydrogen 3.292 N/A LYS 295.A NZ GLU 137.A OE2 no hydrogen 2.778 N/A ALA 298.A N VAL 294.A O no hydrogen 2.816 N/A ARG 299.A N LYS 295.A O no hydrogen 2.938 N/A ARG 299.A NH1 GLU 133.A OE2 no hydrogen 2.948 N/A ARG 299.A NH2 GLU 133.A OE1 no hydrogen 2.702 N/A ARG 299.A NH2 GLU 133.A OE2 no hydrogen 3.209 N/A ARG 300.A N PRO 296.A O no hydrogen 2.922 N/A ARG 300.A NE PHE 185.A O no hydrogen 2.717 N/A ARG 300.A NH1 GLU 303.A OE1 no hydrogen 3.060 N/A ARG 300.A NH2 GLU 184.A O no hydrogen 3.236 N/A VAL 301.A N MET 297.A O no hydrogen 2.829 N/A GLY 302.A N ALA 298.A O no hydrogen 3.162 N/A GLU 303.A N ARG 299.A O no hydrogen 2.904 N/A LEU 304.A N ARG 300.A O no hydrogen 3.084 N/A GLY 305.A N GLY 302.A O no hydrogen 3.072 N/A LEU 306.A N VAL 301.A O no hydrogen 2.935 N/A THR 308.A N MET 285.A O no hydrogen 3.037 N/A VAL 310.A N VAL 287.A O no hydrogen 2.795 N/A GLU 314.A N PRO 311.A O no hydrogen 2.896 N/A GLY 317.A N GLN 225.A OE1 no hydrogen 2.878 N/A ARG 319.A N THR 316.A OG1 no hydrogen 3.377 N/A ARG 319.A NE GLU 322.A OE1 no hydrogen 3.323 N/A LEU 320.A N THR 316.A O no hydrogen 3.230 N/A ARG 321.A N GLY 317.A O no hydrogen 3.075 N/A GLU 322.A N ALA 318.A O no hydrogen 2.810 N/A ALA 323.A N ARG 319.A O no hydrogen 2.801 N/A VAL 324.A N LEU 320.A O no hydrogen 2.805 N/A GLU 325.A N ARG 321.A O no hydrogen 3.121 N/A ASP 326.A N GLU 322.A O no hydrogen 3.111 N/A LEU 327.A N ALA 323.A O no hydrogen 2.926 N/A ALA 328.A N VAL 324.A O no hydrogen 2.951 N/A ASP 330.A N LEU 327.A O no hydrogen 3.251 N/A ARG 331.A NH1 ARG 331.A O no hydrogen 3.406 N/A ARG 331.A NH1 GLU 335.A OE1 no hydrogen 3.316 N/A ARG 331.A NH2 GLU 335.A OE1 no hydrogen 3.370 N/A ALA 333.A N ASP 330.A OD1 no hydrogen 3.056 N/A LEU 334.A N ASP 330.A O no hydrogen 3.241 N/A GLU 335.A N ARG 331.A O no hydrogen 2.957 N/A ARG 336.A N ALA 332.A O no hydrogen 3.141 N/A ARG 336.A NE GLY 305.A O no hydrogen 2.819 N/A ARG 336.A NH2 GLY 305.A O no hydrogen 3.108 N/A VAL 337.A N ALA 333.A O no hydrogen 2.928 N/A LEU 338.A N LEU 334.A O no hydrogen 2.904 N/A ARG 339.A N GLU 335.A O no hydrogen 2.988 N/A MET 340.A N ARG 336.A O no hydrogen 2.968 N/A ARG 341.A N VAL 337.A O no hydrogen 2.823 N/A ARG 341.A NH1 ALA 281.A O no hydrogen 3.531 N/A GLU 342.A N LEU 338.A O no hydrogen 3.114 N/A HIS 343.A N ARG 339.A O no hydrogen 3.163 N/A ALA 344.A N MET 340.A O no hydrogen 2.962 N/A ALA 345.A N ARG 341.A O no hydrogen 2.958 N/A ARG 346.A N GLU 342.A O no hydrogen 2.889 N/A ALA 347.A N ALA 344.A O no hydrogen 3.415 N/A GLY 349.A N VAL 199.A O no hydrogen 2.730 N/A ALA 350.A N SER 202.A OG no hydrogen 2.723 N/A ARG 352.A N GLY 348.A O no hydrogen 3.178 N/A ARG 352.A NH1 PHE 198.A O no hydrogen 2.779 N/A ARG 352.A NH1 ALA 347.A O no hydrogen 2.716 N/A ALA 353.A N GLY 349.A O no hydrogen 3.060 N/A ALA 354.A N ALA 350.A O no hydrogen 3.100 N/A ASP 355.A N ALA 351.A O no hydrogen 3.098 N/A VAL 356.A N ARG 352.A O no hydrogen 2.688 N/A LEU 357.A N ALA 353.A O no hydrogen 2.841 N/A GLU 358.A N ALA 354.A O no hydrogen 2.790 N/A ALA 359.A N ASP 355.A O no hydrogen 3.013 N/A TYR 360.A N VAL 356.A O no hydrogen 2.911 N/A TYR 360.A OH ALA 115.A O no hydrogen 2.790 N/A LEU 361.A N LEU 357.A O no hydrogen 3.174 N/A ALA 362.A N GLU 358.A O no hydrogen 3.026 N/A ALA 362.A N ALA 359.A O no hydrogen 3.188 N/A ARG 365.A NH1 GLU 194.A O no hydrogen 2.661 N/A ARG 365.A NH2 GLU 194.A O no hydrogen 3.319 N/A