Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ra0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ALA 226.A O no hydrogen 2.909 N/A VAL 4.A N ALA 226.A O no hydrogen 3.000 N/A SER 7.A N PRO 382.A O no hydrogen 2.857 N/A LYS 10.A NZ THR 186.A O no hydrogen 3.404 N/A SER 11.A N CYS 190.A O no hydrogen 2.974 N/A SER 11.A OG SER 192.A OG no hydrogen 3.413 N/A SER 14.A OG SER 11.A O no hydrogen 2.593 N/A LEU 15.A N MET 165.A O no hydrogen 2.660 N/A TYR 16.A N MET 188.A O no hydrogen 2.809 N/A TYR 16.A OH ASP 162.A OD1 no hydrogen 2.852 N/A LEU 17.A N GLY 163.A O no hydrogen 2.953 N/A SER 22.A OG THR 24.A OG1 no hydrogen 3.204 N/A GLY 23.A N MET 20.A O no hydrogen 3.184 N/A THR 24.A OG1 SER 22.A OG no hydrogen 3.204 N/A VAL 26.A N VAL 143.A O no hydrogen 2.938 N/A LEU 29.A N LEU 141.A O no hydrogen 2.566 N/A PHE 31.A N LEU 139.A O no hydrogen 2.703 N/A ARG 33.A N TYR 137.A O no hydrogen 2.796 N/A ARG 33.A NE LYS 32.A O no hydrogen 3.143 N/A ARG 33.A NH2 LYS 32.A O no hydrogen 3.401 N/A THR 37.A OG1 GLN 35.A O no hydrogen 2.938 N/A LEU 39.A N GLU 106.A OE2 no hydrogen 3.156 N/A ALA 41.A N VAL 104.A O no hydrogen 2.962 N/A GLU 42.A N ASN 169.A O no hydrogen 3.245 N/A PHE 43.A N ILE 102.A O no hydrogen 3.010 N/A ASP 44.A N ARG 166.A O no hydrogen 2.770 N/A PHE 45.A N GLN 100.A O no hydrogen 2.822 N/A ARG 46.A N CYS 164.A O no hydrogen 3.069 N/A ARG 46.A NH1 SER 192.A O no hydrogen 3.091 N/A ARG 46.A NH2 PHE 191.A O no hydrogen 2.910 N/A THR 47.A OG1 ASP 162.A O no hydrogen 2.520 N/A ASP 49.A N THR 47.A OG1 no hydrogen 3.022 N/A GLU 51.A N ASP 49.A OD1 no hydrogen 2.825 N/A GLY 52.A N LEU 70.A O no hydrogen 2.815 N/A ILE 53.A N PRO 159.A O no hydrogen 2.932 N/A LEU 54.A N LEU 68.A O no hydrogen 2.880 N/A LEU 55.A N LEU 68.A O no hydrogen 3.153 N/A PHE 56.A N THR 142.A O no hydrogen 2.921 N/A ALA 57.A N ILE 66.A O no hydrogen 2.881 N/A GLY 58.A N ASN 140.A O no hydrogen 2.948 N/A GLY 59.A N THR 64.A O no hydrogen 3.229 N/A HIS 60.A ND1 ASP 62.A O no hydrogen 3.152 N/A ASP 62.A N HIS 60.A ND1 no hydrogen 3.242 N/A THR 64.A OG1 ARG 80.A O no hydrogen 3.478 N/A TRP 65.A N ARG 80.A O no hydrogen 3.061 N/A TRP 65.A NE1 GLN 61.A O no hydrogen 2.431 N/A ILE 66.A N ALA 57.A O no hydrogen 2.757 N/A VAL 67.A N GLN 78.A O no hydrogen 3.005 N/A LEU 68.A N LEU 55.A O no hydrogen 2.838 N/A ALA 69.A N GLU 76.A O no hydrogen 2.736 N/A LEU 70.A N GLY 52.A O no hydrogen 2.608 N/A ARG 71.A N ARG 74.A O no hydrogen 3.053 N/A ARG 71.A NE GLU 76.A OE1 no hydrogen 2.770 N/A ARG 71.A NE GLU 76.A OE2 no hydrogen 3.069 N/A ARG 71.A NH1 PRO 156.A O no hydrogen 2.954 N/A ARG 71.A NH2 GLU 76.A OE2 no hydrogen 2.805 N/A ARG 71.A NH2 PRO 156.A O no hydrogen 2.919 N/A GLY 73.A N PRO 50.A O no hydrogen 2.809 N/A ARG 74.A N ARG 71.A O no hydrogen 3.302 N/A ARG 74.A NH1 GLY 91.A O no hydrogen 2.756 N/A GLU 76.A N ALA 69.A O no hydrogen 2.850 N/A LEU 77.A N THR 88.A O no hydrogen 2.702 N/A GLN 78.A N VAL 67.A O no hydrogen 2.883 N/A GLN 78.A NE2 GLU 76.A OE2 no hydrogen 3.044 N/A GLN 78.A NE2 GLN 155.A O no hydrogen 3.285 N/A LEU 79.A N ARG 86.A O no hydrogen 2.839 N/A ARG 80.A N TRP 65.A O no hydrogen 3.054 N/A TYR 81.A N VAL 84.A O no hydrogen 3.231 N/A ASN 82.A N SER 63.A O no hydrogen 3.342 N/A ARG 86.A N LEU 79.A O no hydrogen 3.032 N/A ARG 86.A NH1 ALA 124.A O no hydrogen 2.719 N/A THR 88.A N LEU 77.A O no hydrogen 2.828 N/A SER 89.A OG LEU 75.A O no hydrogen 3.057 N/A SER 90.A N LEU 75.A O no hydrogen 3.238 N/A GLY 91.A N SER 90.A OG no hydrogen 2.576 N/A ILE 94.A N GLY 73.A O no hydrogen 2.794 N/A HIS 96.A N ILE 94.A O no hydrogen 2.704 N/A GLY 97.A N THR 47.A O no hydrogen 2.853 N/A GLN 100.A N PHE 45.A O no hydrogen 3.055 N/A GLN 100.A NE2 PHE 45.A O no hydrogen 3.604 N/A GLN 100.A NE2 ILE 94.A O no hydrogen 3.267 N/A THR 101.A N ASN 116.A OD1 no hydrogen 2.832 N/A THR 101.A OG1 ASP 44.A OD1 no hydrogen 2.946 N/A ILE 102.A N PHE 43.A O no hydrogen 2.918 N/A SER 103.A N LYS 114.A O no hydrogen 3.050 N/A VAL 104.A N ALA 41.A O no hydrogen 2.863 N/A GLU 105.A N VAL 112.A O no hydrogen 3.048 N/A GLU 106.A N LEU 39.A O no hydrogen 2.944 N/A ASN 110.A N LEU 107.A O no hydrogen 3.299 N/A LEU 111.A N ILE 123.A O no hydrogen 2.833 N/A VAL 112.A N GLU 105.A O no hydrogen 2.977 N/A ILE 113.A N MET 121.A O no hydrogen 3.006 N/A LYS 114.A N SER 103.A O no hydrogen 3.000 N/A VAL 115.A N ASP 118.A O no hydrogen 3.170 N/A ASN 116.A N THR 101.A O no hydrogen 2.723 N/A ASP 118.A N VAL 115.A O no hydrogen 3.133 N/A VAL 120.A N ILE 113.A O no hydrogen 2.748 N/A MET 121.A N ILE 113.A O no hydrogen 3.269 N/A ILE 123.A N LEU 111.A O no hydrogen 2.918 N/A VAL 125.A N ARG 109.A O no hydrogen 3.134 N/A LEU 129.A N GLU 106.A OE1 no hydrogen 2.849 N/A GLN 131.A N HIS 138.A O no hydrogen 2.849 N/A GLU 133.A N LEU 136.A O no hydrogen 2.869 N/A LEU 136.A N GLU 133.A O no hydrogen 3.246 N/A TYR 137.A N ARG 33.A O no hydrogen 2.729 N/A HIS 138.A N GLN 131.A O no hydrogen 2.903 N/A LEU 139.A N PHE 31.A O no hydrogen 3.074 N/A ASN 140.A N GLY 58.A O no hydrogen 2.934 N/A LEU 141.A N LEU 29.A O no hydrogen 2.853 N/A THR 142.A N PHE 56.A O no hydrogen 2.999 N/A THR 142.A OG1 GLY 145.A O no hydrogen 2.581 N/A VAL 143.A N ILE 27.A O no hydrogen 2.892 N/A GLY 144.A N LEU 54.A O no hydrogen 2.830 N/A ASP 152.A N HIS 149.A O no hydrogen 2.954 N/A LEU 153.A N GLU 150.A O no hydrogen 3.453 N/A VAL 154.A N GLN 78.A OE1 no hydrogen 2.957 N/A GLN 155.A N GLN 78.A OE1 no hydrogen 3.067 N/A ASN 158.A N GLU 51.A OE2 no hydrogen 3.119 N/A ASN 158.A ND2 ASP 366.A O no hydrogen 3.203 N/A ASN 158.A ND2 GLU 367.A OE2 no hydrogen 2.996 N/A ARG 160.A NE ASN 158.A OD1 no hydrogen 2.825 N/A ARG 160.A NH1 PHE 21.A O no hydrogen 2.411 N/A ARG 160.A NH2 ASN 158.A OD1 no hydrogen 3.078 N/A ASP 162.A N ASP 49.A OD2 no hydrogen 2.930 N/A CYS 164.A N ARG 46.A O no hydrogen 3.005 N/A CYS 164.A SG LEU 15.A O no hydrogen 3.992 N/A MET 165.A N LEU 15.A O no hydrogen 2.918 N/A ARG 166.A N ASP 44.A O no hydrogen 2.949 N/A ASN 169.A N GLU 42.A O no hydrogen 2.850 N/A LEU 171.A N VAL 40.A O no hydrogen 2.882 N/A GLY 173.A N TRP 170.A O no hydrogen 3.249 N/A THR 177.A OG1 ASP 175.A OD1 no hydrogen 2.425 N/A THR 181.A N THR 177.A O no hydrogen 2.865 N/A THR 181.A OG1 ILE 178.A O no hydrogen 3.458 N/A VAL 182.A N ILE 178.A O no hydrogen 2.826 N/A LYS 183.A N GLN 179.A O no hydrogen 3.154 N/A VAL 184.A N GLU 180.A O no hydrogen 3.418 N/A ASN 185.A N VAL 182.A O no hydrogen 3.214 N/A MET 188.A N ASN 185.A O no hydrogen 2.827 N/A GLN 189.A N THR 186.A O no hydrogen 3.171 N/A GLN 189.A NE2 VAL 182.A O no hydrogen 2.944 N/A CYS 190.A N SER 14.A OG no hydrogen 3.254 N/A CYS 190.A SG SER 14.A OG no hydrogen 3.772 N/A CYS 190.A SG LEU 15.A O no hydrogen 3.521 N/A SER 192.A N ALA 9.A O no hydrogen 2.874 N/A SER 192.A OG SER 11.A OG no hydrogen 3.413 N/A GLU 195.A N CYS 380.A O no hydrogen 2.688 N/A SER 198.A OG ALA 377.A O no hydrogen 2.838 N/A TYR 200.A N GLY 352.A O no hydrogen 2.862 N/A SER 203.A OG ASP 374.A OD2 no hydrogen 3.368 N/A ALA 206.A N ALA 333.A O no hydrogen 3.133 N/A PHE 207.A N TYR 370.A O no hydrogen 2.984 N/A TYR 208.A N THR 331.A O no hydrogen 2.924 N/A TYR 212.A OH THR 331.A OG1 no hydrogen 2.553 N/A VAL 217.A N LEU 291.A O no hydrogen 3.132 N/A GLU 218.A N ASN 359.A OD1 no hydrogen 3.019 N/A VAL 219.A N VAL 289.A O no hydrogen 2.916 N/A VAL 220.A N GLU 357.A O no hydrogen 2.836 N/A ALA 221.A N VAL 287.A O no hydrogen 2.752 N/A HIS 222.A N THR 355.A O no hydrogen 2.768 N/A ILE 223.A N HIS 285.A O no hydrogen 2.951 N/A ARG 224.A N CYS 353.A O no hydrogen 2.896 N/A ARG 224.A NE GLY 282.A O no hydrogen 3.105 N/A ALA 226.A N ARG 351.A O no hydrogen 2.783 N/A THR 229.A OG1 LEU 249.A O no hydrogen 3.311 N/A GLY 230.A N LEU 249.A O no hydrogen 3.249 N/A VAL 231.A N ALA 348.A O no hydrogen 3.189 N/A LEU 232.A N VAL 247.A O no hydrogen 2.843 N/A PHE 233.A N VAL 247.A O no hydrogen 3.372 N/A ALA 234.A N PHE 332.A O no hydrogen 3.075 N/A LEU 235.A N LEU 245.A O no hydrogen 2.790 N/A TRP 236.A N LEU 330.A O no hydrogen 2.915 N/A ALA 237.A N ALA 242.A O no hydrogen 3.244 N/A SER 246.A N ALA 266.A O no hydrogen 2.776 N/A VAL 247.A N PHE 233.A O no hydrogen 2.916 N/A ALA 248.A N VAL 264.A O no hydrogen 3.246 N/A LEU 249.A N GLY 230.A O no hydrogen 2.857 N/A VAL 250.A N LEU 262.A O no hydrogen 3.115 N/A HIS 253.A ND1 LYS 260.A O no hydrogen 2.687 N/A LYS 259.A NZ GLU 276.A OE2 no hydrogen 2.916 N/A LEU 262.A N VAL 250.A O no hydrogen 3.087 N/A VAL 263.A N MET 275.A O no hydrogen 2.787 N/A VAL 264.A N ALA 248.A O no hydrogen 2.929 N/A LEU 265.A N ALA 273.A O no hydrogen 3.266 N/A ALA 266.A N SER 246.A O no hydrogen 2.965 N/A VAL 267.A N THR 270.A O no hydrogen 3.285 N/A THR 270.A N VAL 267.A O no hydrogen 3.161 N/A LEU 272.A N LEU 265.A O no hydrogen 2.879 N/A ALA 273.A N LEU 265.A O no hydrogen 3.521 N/A MET 275.A N VAL 263.A O no hydrogen 3.127 N/A ILE 277.A N GLN 261.A O no hydrogen 2.926 N/A GLN 283.A N ASP 281.A OD1 no hydrogen 3.099 N/A HIS 285.A N ILE 223.A O no hydrogen 2.794 N/A HIS 285.A ND1 ASP 301.A OD2 no hydrogen 2.835 N/A HIS 285.A NE2 ASP 281.A OD1 no hydrogen 3.327 N/A VAL 286.A N ASP 301.A OD1 no hydrogen 2.993 N/A VAL 287.A N ALA 221.A O no hydrogen 3.082 N/A THR 288.A N GLU 299.A O no hydrogen 2.915 N/A VAL 289.A N VAL 219.A O no hydrogen 2.886 N/A SER 290.A N THR 297.A O no hydrogen 3.072 N/A LEU 291.A N VAL 217.A O no hydrogen 2.839 N/A ARG 292.A NH2 SER 290.A OG no hydrogen 3.120 N/A GLU 295.A N ARG 292.A O no hydrogen 2.861 N/A THR 297.A N SER 290.A O no hydrogen 3.230 N/A GLU 299.A N THR 288.A O no hydrogen 2.817 N/A VAL 300.A N THR 303.A O no hydrogen 3.200 N/A ASP 301.A N VAL 286.A O no hydrogen 2.927 N/A ARG 304.A NE GLU 299.A OE2 no hydrogen 3.304 N/A GLU 308.A N LEU 272.A O no hydrogen 2.635 N/A VAL 309.A N SER 307.A OG no hydrogen 2.828 N/A SER 310.A N GLN 313.A OE1 no hydrogen 3.195 N/A SER 310.A OG GLN 313.A OE1 no hydrogen 3.306 N/A GLN 313.A N SER 310.A OG no hydrogen 3.351 N/A GLN 315.A N ALA 311.A O no hydrogen 3.205 N/A GLU 316.A N ALA 312.A O no hydrogen 3.271 N/A ARG 317.A N LEU 314.A O no hydrogen 3.302 N/A ARG 317.A NE GLU 316.A O no hydrogen 3.541 N/A ARG 317.A NH1 THR 270.A OG1 no hydrogen 2.950 N/A LEU 318.A N LEU 314.A O no hydrogen 2.924 N/A ALA 319.A N GLN 315.A O no hydrogen 2.912 N/A LEU 321.A N ARG 317.A O no hydrogen 2.893 N/A GLU 322.A N LEU 318.A O no hydrogen 2.845 N/A ARG 323.A N ALA 319.A O no hydrogen 3.127 N/A HIS 324.A N VAL 320.A O no hydrogen 3.187 N/A LEU 325.A N LEU 321.A O no hydrogen 2.878 N/A ARG 326.A N GLU 322.A O no hydrogen 3.226 N/A ARG 326.A N ARG 323.A O no hydrogen 3.038 N/A LEU 330.A N TRP 236.A O no hydrogen 3.046 N/A THR 331.A N TYR 208.A O no hydrogen 2.964 N/A THR 331.A OG1 TYR 212.A OH no hydrogen 2.553 N/A PHE 332.A N ALA 234.A O no hydrogen 2.645 N/A ALA 333.A N ALA 206.A O no hydrogen 2.800 N/A GLY 334.A N LEU 232.A O no hydrogen 3.269 N/A SER 343.A N PRO 340.A O no hydrogen 3.260 N/A TYR 350.A N GLY 334.A O no hydrogen 2.752 N/A TYR 350.A OH CYS 353.A O no hydrogen 2.730 N/A ARG 351.A NE PRO 201.A O no hydrogen 3.140 N/A GLY 352.A N TYR 200.A O no hydrogen 2.670 N/A CYS 353.A N ARG 224.A O no hydrogen 3.125 N/A CYS 353.A SG ARG 196.A O no hydrogen 3.893 N/A MET 354.A N SER 198.A O no hydrogen 2.949 N/A THR 355.A N HIS 222.A O no hydrogen 2.767 N/A GLU 357.A N VAL 220.A O no hydrogen 2.861 N/A VAL 358.A N ARG 361.A O no hydrogen 2.737 N/A ASN 359.A N GLU 218.A O no hydrogen 2.617 N/A ARG 361.A N VAL 358.A O no hydrogen 3.124 N/A LEU 363.A N LEU 356.A O no hydrogen 2.993 N/A ASP 366.A N ASP 364.A OD1 no hydrogen 3.031 N/A GLU 367.A N ASP 364.A O no hydrogen 2.784 N/A ALA 368.A N LEU 365.A O no hydrogen 2.979 N/A ALA 369.A N PHE 207.A O no hydrogen 2.902 N/A TYR 370.A N PHE 207.A O no hydrogen 3.443 N/A LYS 371.A NZ ILE 375.A O no hydrogen 2.872 N/A HIS 372.A N PHE 205.A O no hydrogen 3.133 N/A ASP 374.A N HIS 372.A ND1 no hydrogen 3.333 N/A ILE 375.A N HIS 372.A O no hydrogen 3.348 N/A THR 376.A OG1 SER 379.A O no hydrogen 2.470 N/A HIS 378.A N ASP 162.A OD2 no hydrogen 2.877 N/A SER 379.A OG ASP 162.A OD1 no hydrogen 3.472 N/A SER 379.A OG ASP 162.A OD2 no hydrogen 2.836 N/A CYS 380.A N GLU 195.A O no hydrogen 2.625 N/A GLU 384.A N PRO 5.A O no hydrogen 3.087 N/A