Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ru2_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 29.A N ASP 28.A OD1 no hydrogen 2.531 N/A CYS 33.A SG ASP 32.A O no hydrogen 3.082 N/A PHE 43.A N GLU 40.A O no hydrogen 3.185 N/A GLU 44.A N GLU 40.A O no hydrogen 2.841 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.626 N/A LEU 48.A N ASN 45.A OD1 no hydrogen 3.362 N/A ALA 50.A N ASN 46.A O no hydrogen 3.422 N/A LYS 51.A N GLU 47.A O no hydrogen 3.099 N/A LEU 52.A N LEU 48.A O no hydrogen 2.834 N/A THR 53.A N PHE 49.A O no hydrogen 3.003 N/A LEU 54.A N LYS 51.A O no hydrogen 3.155 N/A PHE 56.A N LEU 52.A O no hydrogen 3.421 N/A SER 57.A OG LEU 54.A O no hydrogen 2.980 N/A ALA 58.A N GLN 15.A O no hydrogen 3.317 N/A VAL 61.A N GLU 128.A OE2 no hydrogen 2.755 N/A THR 66.A N ASP 63.A OD1 no hydrogen 2.893 N/A THR 66.A OG1 ASP 63.A OD1 no hydrogen 2.357 N/A ALA 67.A N ASP 63.A O no hydrogen 3.111 N/A ASN 69.A N LYS 65.A O no hydrogen 3.183 N/A LEU 70.A N THR 66.A O no hydrogen 2.792 N/A SER 71.A N ALA 67.A O no hydrogen 3.162 N/A SER 71.A OG ALA 67.A O no hydrogen 2.525 N/A SER 71.A OG SER 127.A OG no hydrogen 2.251 N/A ILE 72.A N GLN 68.A O no hydrogen 2.735 N/A PHE 73.A N ASN 69.A O no hydrogen 2.793 N/A LEU 74.A N LEU 70.A O no hydrogen 2.719 N/A GLY 75.A N SER 71.A O no hydrogen 3.222 N/A SER 76.A N PHE 73.A O no hydrogen 2.968 N/A SER 76.A OG PHE 73.A O no hydrogen 2.342 N/A TYR 81.A OH TYR 121.A OH no hydrogen 3.346 N/A ILE 84.A N PRO 80.A O no hydrogen 3.376 N/A LYS 85.A N TYR 81.A O no hydrogen 2.734 N/A LYS 85.A NZ GLN 82.A OE1 no hydrogen 3.521 N/A ASN 86.A N GLN 82.A O no hydrogen 3.195 N/A VAL 87.A N GLU 83.A O no hydrogen 2.699 N/A ILE 88.A N ILE 84.A O no hydrogen 2.939 N/A LEU 89.A N LYS 85.A O no hydrogen 2.941 N/A GLU 90.A N ASN 86.A O no hydrogen 2.751 N/A ASN 92.A N VAL 87.A O no hydrogen 2.956 N/A LEU 96.A N ASN 92.A O no hydrogen 3.042 N/A THR 97.A OG1 VAL 95.A O no hydrogen 3.372 N/A ILE 101.A N THR 97.A O no hydrogen 2.833 N/A GLN 102.A N GLU 98.A O no hydrogen 2.908 N/A ASN 103.A N SER 99.A O no hydrogen 3.351 N/A GLN 107.A N LEU 104.A O no hydrogen 2.540 N/A MET 108.A N LEU 104.A O no hydrogen 3.230 N/A MET 108.A N ILE 105.A O no hydrogen 3.256 N/A GLN 113.A N GLU 110.A O no hydrogen 3.036 N/A LEU 114.A N PRO 111.A O no hydrogen 3.436 N/A LYS 115.A N GLU 112.A O no hydrogen 2.981 N/A SER 118.A N LYS 115.A O no hydrogen 3.287 N/A SER 118.A OG LYS 115.A O no hydrogen 2.506 N/A LEU 120.A N LEU 117.A O no hydrogen 3.164 N/A LEU 124.A N TYR 121.A O no hydrogen 3.348 N/A ALA 125.A N GLU 128.A OE1 no hydrogen 3.179 N/A SER 127.A OG ALA 67.A O no hydrogen 3.157 N/A SER 127.A OG SER 71.A OG no hydrogen 2.251 N/A GLN 129.A N ALA 125.A O no hydrogen 2.697 N/A GLN 129.A NE2 LEU 124.A O no hydrogen 2.401 N/A PHE 130.A N GLU 126.A O no hydrogen 3.014 N/A GLY 131.A N SER 127.A O no hydrogen 3.357 N/A VAL 132.A N GLU 128.A O no hydrogen 3.260 N/A VAL 133.A N GLN 129.A O no hydrogen 3.330 N/A MET 134.A N PHE 130.A O no hydrogen 2.911 N/A GLY 135.A N GLY 131.A O no hydrogen 2.608 N/A THR 136.A N VAL 133.A O no hydrogen 3.411 N/A THR 136.A OG1 VAL 132.A O no hydrogen 2.485 N/A THR 136.A OG1 VAL 133.A O no hydrogen 3.308 N/A VAL 137.A N MET 134.A O no hydrogen 3.227 N/A ARG 139.A NH1 ASN 282.A O no hydrogen 3.038 N/A ARG 139.A NH2 ASN 282.A O no hydrogen 3.436 N/A ARG 141.A NH2 PRO 109.A O no hydrogen 2.496 N/A ARG 143.A N ARG 139.A O no hydrogen 3.124 N/A ARG 143.A NE PRO 138.A O no hydrogen 3.379 N/A ARG 143.A NH2 PRO 138.A O no hydrogen 2.663 N/A LEU 144.A N LEU 140.A O no hydrogen 3.090 N/A ASN 145.A N ARG 141.A O no hydrogen 3.242 N/A ALA 146.A N PRO 142.A O no hydrogen 2.383 N/A ILE 147.A N ARG 143.A O no hydrogen 3.168 N/A LEU 148.A N ASN 145.A O no hydrogen 3.230 N/A PHE 149.A N ILE 147.A O no hydrogen 2.890 N/A LYS 150.A NZ GLU 93.A OE2 no hydrogen 3.205 N/A GLN 152.A N PHE 149.A O no hydrogen 2.892 N/A PHE 153.A N PHE 149.A O no hydrogen 2.498 N/A SER 154.A OG GLU 155.A OE1 no hydrogen 2.704 N/A SER 154.A OG GLU 155.A OE2 no hydrogen 3.375 N/A GLN 156.A N GLN 152.A O no hydrogen 2.927 N/A VAL 157.A N PHE 153.A O no hydrogen 3.159 N/A GLU 158.A N SER 154.A O no hydrogen 3.332 N/A ASN 159.A N GLN 156.A O no hydrogen 3.117 N/A ILE 160.A N GLN 156.A O no hydrogen 3.103 N/A ILE 164.A N ILE 160.A O no hydrogen 2.981 N/A ILE 164.A N LYS 161.A O no hydrogen 3.325 N/A VAL 165.A N LYS 161.A O no hydrogen 3.198 N/A SER 166.A OG PRO 162.A O no hydrogen 2.882 N/A SER 166.A OG GLU 163.A O no hydrogen 3.282 N/A THR 168.A N ILE 164.A O no hydrogen 3.121 N/A THR 168.A OG1 ILE 164.A O no hydrogen 3.091 N/A THR 168.A OG1 VAL 165.A O no hydrogen 2.913 N/A ALA 169.A N VAL 165.A O no hydrogen 2.963 N/A ALA 170.A N SER 166.A O no hydrogen 2.848 N/A CYS 171.A N VAL 167.A O no hydrogen 2.716 N/A CYS 171.A SG VAL 167.A O no hydrogen 3.126 N/A GLU 172.A N THR 168.A O no hydrogen 2.847 N/A GLU 173.A N ALA 169.A O no hydrogen 2.742 N/A LEU 174.A N ALA 170.A O no hydrogen 2.946 N/A ARG 175.A N CYS 171.A O no hydrogen 2.970 N/A ARG 175.A NH1 ARG 175.A O no hydrogen 2.894 N/A LYS 176.A N GLU 172.A O no hydrogen 3.338 N/A LYS 176.A NZ GLU 247.A OE1 no hydrogen 3.073 N/A SER 177.A N LEU 174.A O no hydrogen 3.357 N/A SER 177.A OG GLU 247.A OE2 no hydrogen 3.053 N/A PHE 180.A N SER 177.A OG no hydrogen 3.323 N/A SER 181.A OG GLU 178.A O no hydrogen 2.902 N/A SER 182.A N GLU 178.A O no hydrogen 2.830 N/A SER 182.A OG GLU 178.A O no hydrogen 3.214 N/A SER 182.A OG GLU 178.A OE2 no hydrogen 2.318 N/A LEU 183.A N ASN 179.A O no hydrogen 2.816 N/A LEU 184.A N PHE 180.A O no hydrogen 2.950 N/A GLU 185.A N SER 181.A O no hydrogen 3.118 N/A THR 187.A N LEU 183.A O no hydrogen 3.387 N/A THR 187.A OG1 LEU 184.A O no hydrogen 3.104 N/A LEU 188.A N LEU 184.A O no hydrogen 3.285 N/A LEU 189.A N GLU 185.A O no hydrogen 3.128 N/A VAL 190.A N LEU 186.A O no hydrogen 3.195 N/A GLY 191.A N THR 187.A O no hydrogen 2.805 N/A ASN 192.A N LEU 188.A O no hydrogen 2.869 N/A ASN 192.A ND2 ALA 203.A O no hydrogen 2.782 N/A TYR 193.A N LEU 189.A O no hydrogen 3.073 N/A MET 194.A N VAL 190.A O no hydrogen 3.302 N/A ASN 195.A N GLY 191.A O no hydrogen 2.982 N/A ALA 196.A N TYR 193.A O no hydrogen 3.473 N/A SER 198.A OG ASN 195.A O no hydrogen 2.508 N/A ASN 200.A N SER 198.A OG no hydrogen 3.272 N/A ALA 203.A N ASN 192.A OD1 no hydrogen 3.235 N/A ILE 208.A N ASN 207.A OD1 no hydrogen 2.667 N/A SER 209.A OG ASP 342.A OD2 no hydrogen 2.578 N/A CYS 212.A SG ASP 342.A O no hydrogen 3.116 N/A CYS 212.A SG ASP 342.A OD1 no hydrogen 3.132 N/A LYS 213.A N PHE 210.A O no hydrogen 2.920 N/A LEU 214.A N LEU 211.A O no hydrogen 3.014 N/A THR 217.A N LEU 214.A O no hydrogen 3.143 N/A SER 219.A OG ASP 221.A O no hydrogen 2.595 N/A SER 219.A OG ASP 221.A OD1 no hydrogen 3.006 N/A SER 219.A OG MET 224.A O no hydrogen 2.843 N/A MET 224.A N ASP 221.A O no hydrogen 3.066 N/A THR 225.A OG1 LYS 223.A O no hydrogen 3.441 N/A LEU 226.A N THR 217.A O no hydrogen 3.323 N/A HIS 228.A NE2 GLU 356.A OE1 no hydrogen 2.331 N/A PHE 229.A N THR 225.A O no hydrogen 2.859 N/A LEU 230.A N LEU 226.A O no hydrogen 3.330 N/A GLU 232.A N HIS 228.A O no hydrogen 2.795 N/A LEU 233.A N PHE 229.A O no hydrogen 2.701 N/A CYS 234.A N LEU 230.A O no hydrogen 2.683 N/A CYS 234.A SG HIS 238.A O no hydrogen 3.191 N/A GLU 235.A N ALA 231.A O no hydrogen 3.043 N/A ASN 236.A N LEU 233.A O no hydrogen 3.225 N/A ASP 237.A N LEU 233.A O no hydrogen 3.414 N/A HIS 238.A N CYS 234.A O no hydrogen 3.196 N/A PHE 244.A N VAL 241.A O no hydrogen 3.387 N/A ASP 246.A N LYS 243.A O no hydrogen 3.209 N/A GLU 247.A N PHE 244.A O no hydrogen 3.016 N/A LEU 248.A N PRO 245.A O no hydrogen 3.295 N/A ALA 249.A N GLU 173.A OE1 no hydrogen 3.120 N/A ALA 254.A N HIS 250.A O no hydrogen 2.780 N/A SER 255.A N VAL 251.A O no hydrogen 2.493 N/A SER 255.A OG VAL 251.A O no hydrogen 3.018 N/A SER 255.A OG GLU 252.A O no hydrogen 2.617 N/A ARG 256.A N GLU 252.A O no hydrogen 2.965 N/A VAL 257.A N LYS 253.A O no hydrogen 3.392 N/A SER 258.A N ASN 261.A OD1 no hydrogen 3.187 N/A SER 258.A OG GLU 260.A OE1 no hydrogen 2.625 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.711 N/A LEU 262.A N SER 258.A O no hydrogen 3.379 N/A GLN 263.A N ALA 259.A O no hydrogen 2.927 N/A LYS 264.A N GLU 260.A O no hydrogen 3.429 N/A SER 265.A N ASN 261.A O no hydrogen 3.269 N/A SER 265.A OG LEU 262.A O no hydrogen 2.557 N/A LEU 266.A N LEU 262.A O no hydrogen 2.909 N/A ASP 267.A N GLN 263.A O no hydrogen 3.006 N/A GLN 268.A N LYS 264.A O no hydrogen 3.074 N/A MET 269.A N SER 265.A O no hydrogen 3.212 N/A LYS 270.A N LEU 266.A O no hydrogen 3.299 N/A LYS 271.A N ASP 267.A O no hydrogen 3.447 N/A LYS 271.A NZ LYS 271.A O no hydrogen 2.347 N/A GLN 272.A N GLN 268.A O no hydrogen 3.152 N/A ILE 273.A N MET 269.A O no hydrogen 3.301 N/A ALA 274.A N LYS 270.A O no hydrogen 3.381 N/A ASP 275.A N LYS 271.A O no hydrogen 3.254 N/A ASP 275.A N GLN 272.A O no hydrogen 3.123 N/A GLU 277.A N ILE 273.A O no hydrogen 2.989 N/A ARG 278.A N ALA 274.A O no hydrogen 3.028 N/A ASP 279.A N ASP 275.A O no hydrogen 2.811 N/A VAL 280.A N VAL 276.A O no hydrogen 2.743 N/A GLN 281.A N GLU 277.A O no hydrogen 3.211 N/A ASN 282.A N ARG 278.A O no hydrogen 2.862 N/A PHE 283.A N ASP 279.A O no hydrogen 2.766 N/A ASP 286.A N ASP 289.A O no hydrogen 3.030 N/A LYS 288.A NZ ASP 286.A OD1 no hydrogen 2.725 N/A LYS 288.A NZ ASP 286.A OD2 no hydrogen 2.865 N/A ASP 289.A N ASP 286.A OD1 no hydrogen 3.403 N/A LYS 290.A NZ GLU 90.A OE2 no hydrogen 2.916 N/A LYS 294.A N PHE 291.A O no hydrogen 2.591 N/A LYS 294.A NZ GLU 90.A O no hydrogen 3.119 N/A LYS 294.A NZ VAL 91.A O no hydrogen 3.090 N/A LYS 294.A NZ LYS 290.A O no hydrogen 3.512 N/A SER 297.A N GLU 293.A O no hydrogen 3.221 N/A VAL 299.A N MET 295.A O no hydrogen 2.976 N/A ASP 301.A N SER 297.A O no hydrogen 3.367 N/A ALA 302.A N PHE 298.A O no hydrogen 2.684 N/A GLN 303.A N VAL 299.A O no hydrogen 2.619 N/A GLU 304.A N LYS 300.A O no hydrogen 3.213 N/A GLN 305.A N ASP 301.A O no hydrogen 2.786 N/A TYR 306.A N ALA 302.A O no hydrogen 2.518 N/A ASN 307.A N GLN 303.A O no hydrogen 2.936 N/A LEU 309.A N GLN 305.A O no hydrogen 3.368 N/A ARG 310.A N TYR 306.A O no hydrogen 3.023 N/A MET 311.A N ASN 307.A O no hydrogen 3.286 N/A MET 312.A N LYS 308.A O no hydrogen 3.052 N/A HIS 313.A N LEU 309.A O no hydrogen 2.680 N/A SER 314.A N ARG 310.A O no hydrogen 2.827 N/A SER 314.A OG ARG 310.A O no hydrogen 2.555 N/A ASN 315.A N MET 312.A O no hydrogen 3.040 N/A MET 316.A N HIS 313.A O no hydrogen 3.189 N/A THR 318.A N SER 314.A O no hydrogen 3.168 N/A THR 318.A OG1 ASN 315.A O no hydrogen 2.878 N/A THR 318.A OG1 ASN 315.A OD1 no hydrogen 3.406 N/A LEU 319.A N ASN 315.A O no hydrogen 2.972 N/A TYR 320.A N MET 316.A O no hydrogen 2.337 N/A TYR 320.A OH SER 335.A O no hydrogen 3.071 N/A LYS 321.A N GLU 317.A O no hydrogen 3.297 N/A LEU 323.A N LEU 319.A O no hydrogen 2.742 N/A GLY 324.A N TYR 320.A O no hydrogen 2.359 N/A ASP 325.A N LYS 321.A O no hydrogen 2.739 N/A TYR 326.A N GLU 322.A O no hydrogen 2.711 N/A PHE 327.A N LEU 323.A O no hydrogen 3.152 N/A PHE 329.A N GLY 324.A O no hydrogen 2.727 N/A GLU 337.A N SER 258.A OG no hydrogen 3.216 N/A PHE 339.A N SER 335.A O no hydrogen 3.251 N/A PHE 340.A N VAL 336.A O no hydrogen 3.214 N/A MET 341.A N GLU 337.A O no hydrogen 3.020 N/A ASP 342.A N GLU 338.A O no hydrogen 3.070 N/A LEU 343.A N PHE 339.A O no hydrogen 3.028 N/A HIS 344.A N PHE 340.A O no hydrogen 2.338 N/A ASN 345.A N MET 341.A O no hydrogen 2.812 N/A PHE 346.A N ASP 342.A O no hydrogen 3.039 N/A ARG 347.A N LEU 343.A O no hydrogen 3.063 N/A ASN 348.A N HIS 344.A O no hydrogen 3.422 N/A MET 349.A N ASN 345.A O no hydrogen 3.009 N/A PHE 350.A N PHE 346.A O no hydrogen 3.034 N/A LEU 351.A N ARG 347.A O no hydrogen 3.217 N/A GLN 352.A N ASN 348.A O no hydrogen 3.016 N/A ALA 353.A N MET 349.A O no hydrogen 2.627 N/A VAL 354.A N PHE 350.A O no hydrogen 2.781 N/A LYS 355.A N LEU 351.A O no hydrogen 2.987 N/A GLU 356.A N GLN 352.A O no hydrogen 2.894 N/A ASN 357.A N ALA 353.A O no hydrogen 3.150 N/A GLN 358.A N VAL 354.A O no hydrogen 3.217 N/A LYS 359.A N LYS 355.A O no hydrogen 2.999 N/A LYS 359.A NZ LYS 355.A O no hydrogen 3.452 N/A LYS 359.A NZ GLU 362.A OE1 no hydrogen 2.873 N/A ARG 360.A N GLU 356.A O no hydrogen 2.876 N/A ARG 361.A N ASN 357.A O no hydrogen 2.968 N/A GLU 362.A N GLN 358.A O no hydrogen 2.846 N/A THR 363.A N LYS 359.A O no hydrogen 3.138 N/A THR 363.A OG1 ARG 360.A O no hydrogen 2.902 N/A GLU 364.A N ARG 360.A O no hydrogen 2.820 N/A GLU 365.A N ARG 361.A O no hydrogen 2.701 N/A LYS 366.A N GLU 362.A O no hydrogen 2.911 N/A MET 367.A N THR 363.A O no hydrogen 3.011 N/A ARG 368.A N GLU 364.A O no hydrogen 3.150 N/A ARG 369.A N GLU 365.A O no hydrogen 3.044 N/A ARG 369.A NE GLU 365.A O no hydrogen 2.740 N/A ALA 370.A N LYS 366.A O no hydrogen 3.156 N/A