Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aql_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 127.A O no hydrogen 2.850 N/A GLU 8.A N GLU 8.A OE2 no hydrogen 2.979 N/A GLN 9.A N PRO 6.A O no hydrogen 2.981 N/A HIS 10.A N PRO 6.A O no hydrogen 3.191 N/A HIS 10.A ND1 ILE 5.A O no hydrogen 3.361 N/A SER 13.A N HIS 10.A NE2 no hydrogen 3.084 N/A LYS 15.A NZ TYR 26.A OH no hydrogen 2.966 N/A ILE 17.A N ARG 14.A O no hydrogen 2.709 N/A ALA 21.A N GLU 19.A O no hydrogen 2.406 N/A LEU 22.A N GLU 19.A O no hydrogen 3.301 N/A VAL 24.A N ALA 21.A O no hydrogen 3.210 N/A MET 25.A N ALA 21.A O no hydrogen 3.233 N/A TYR 26.A N LEU 22.A O no hydrogen 3.040 N/A ARG 27.A N LYS 23.A O no hydrogen 3.349 N/A ASN 29.A N MET 25.A O no hydrogen 2.739 N/A ASN 29.A ND2 TYR 33.A O no hydrogen 3.049 N/A LYS 30.A N TYR 26.A O no hydrogen 2.700 N/A ALA 31.A N LEU 28.A O no hydrogen 3.227 N/A GLY 32.A N ASN 29.A O no hydrogen 2.729 N/A TYR 33.A N LEU 28.A O no hydrogen 3.156 N/A TRP 36.A N THR 57.A O no hydrogen 2.826 N/A TRP 36.A NE1 GLU 34.A OE1 no hydrogen 2.684 N/A LEU 37.A N TYR 120.A O no hydrogen 2.754 N/A VAL 38.A N ASP 55.A O no hydrogen 3.097 N/A GLY 39.A N LEU 118.A O no hydrogen 3.487 N/A ARG 43.A N GLY 39.A O no hydrogen 2.784 N/A ASP 44.A N GLY 40.A O no hydrogen 3.473 N/A LEU 45.A N GLY 41.A O no hydrogen 2.901 N/A LEU 46.A N VAL 42.A O no hydrogen 3.208 N/A LEU 47.A N ARG 43.A O no hydrogen 3.097 N/A GLY 48.A N LEU 45.A O no hydrogen 2.693 N/A VAL 56.A N GLU 92.A O no hydrogen 2.704 N/A THR 57.A N TRP 36.A O no hydrogen 2.592 N/A THR 57.A OG1 ALA 94.A O no hydrogen 3.368 N/A THR 58.A N ALA 94.A O no hydrogen 2.946 N/A THR 58.A OG1 GLU 34.A O no hydrogen 2.793 N/A ALA 60.A N THR 58.A OG1 no hydrogen 3.284 N/A VAL 65.A N THR 61.A O no hydrogen 2.970 N/A ARG 66.A N PRO 62.A O no hydrogen 3.059 N/A LYS 67.A N GLU 63.A O no hydrogen 3.309 N/A LYS 67.A NZ GLU 63.A OE2 no hydrogen 3.533 N/A LEU 68.A N GLN 64.A O no hydrogen 3.156 N/A ARG 70.A N LYS 67.A O no hydrogen 3.202 N/A ARG 70.A NE LYS 67.A O no hydrogen 3.365 N/A CYS 72.A N PHE 69.A O no hydrogen 3.039 N/A ALA 82.A N VAL 93.A O no hydrogen 3.156 N/A VAL 84.A N ILE 91.A O no hydrogen 3.168 N/A MET 85.A N ARG 73.A O no hydrogen 3.050 N/A PHE 86.A N GLU 89.A O no hydrogen 2.972 N/A ILE 91.A N VAL 84.A O no hydrogen 2.774 N/A VAL 93.A N ALA 82.A O no hydrogen 2.606 N/A ALA 94.A N VAL 56.A O no hydrogen 3.139 N/A THR 95.A OG1 ALA 60.A O no hydrogen 2.920 N/A PHE 96.A N THR 58.A O no hydrogen 2.858 N/A ARG 97.A N ASP 107.A OD1 no hydrogen 2.856 N/A ARG 97.A NE ASP 107.A OD1 no hydrogen 3.427 N/A GLY 98.A N ILE 100.A O no hydrogen 2.576 N/A ASP 107.A N SER 103.A O no hydrogen 3.182 N/A ALA 108.A N GLU 105.A O no hydrogen 3.121 N/A ARG 110.A N ASP 107.A O no hydrogen 3.048 N/A ARG 110.A NE GLY 98.A O no hydrogen 3.169 N/A ARG 111.A NH2 ASP 107.A OD2 no hydrogen 2.688 N/A THR 114.A N ARG 143.A O no hydrogen 3.359 N/A THR 114.A OG1 ASP 136.A OD2 no hydrogen 3.149 N/A SER 117.A N THR 114.A O no hydrogen 2.718 N/A SER 117.A OG ALA 108.A O no hydrogen 3.418 N/A TYR 119.A N ARG 128.A O no hydrogen 3.210 N/A TYR 119.A OH ASP 107.A OD2 no hydrogen 2.545 N/A TYR 120.A N LEU 37.A O no hydrogen 2.878 N/A TYR 120.A OH SER 13.A O no hydrogen 3.348 N/A SER 121.A N THR 126.A O no hydrogen 3.374 N/A PHE 125.A N SER 121.A O no hydrogen 2.923 N/A THR 126.A OG1 ASP 124.A OD2 no hydrogen 2.309 N/A VAL 127.A N ILE 5.A O no hydrogen 2.819 N/A ARG 128.A N TYR 119.A O no hydrogen 2.914 N/A ARG 128.A NE THR 126.A OG1 no hydrogen 3.356 N/A ASP 129.A N THR 3.A O no hydrogen 2.655 N/A VAL 131.A N ASP 129.A OD1 no hydrogen 3.177 N/A MET 134.A N ASP 129.A OD2 no hydrogen 2.935 N/A LYS 135.A N GLY 132.A O no hydrogen 2.727 N/A ASP 136.A N GLY 132.A O no hydrogen 3.372 N/A LEU 137.A N GLY 133.A O no hydrogen 2.866 N/A LYS 138.A N MET 134.A O no hydrogen 2.958 N/A ASP 139.A N LYS 135.A O no hydrogen 2.783 N/A GLY 140.A N ASP 136.A O no hydrogen 2.745 N/A GLY 140.A N LEU 137.A O no hydrogen 3.350 N/A VAL 141.A N ASP 136.A O no hydrogen 3.079 N/A ILE 142.A N ARG 172.A O no hydrogen 2.980 N/A ARG 143.A NE ASP 136.A OD1 no hydrogen 3.079 N/A ARG 143.A NE ASP 136.A OD2 no hydrogen 3.072 N/A ARG 143.A NH1 GLU 176.A OE1 no hydrogen 2.806 N/A ARG 143.A NH2 ASP 136.A OD1 no hydrogen 2.741 N/A LEU 144.A N THR 177.A OG1 no hydrogen 2.801 N/A ASN 147.A ND2 THR 150.A OG1 no hydrogen 2.468 N/A ARG 151.A N ASN 147.A O no hydrogen 2.987 N/A TYR 152.A N PRO 148.A O no hydrogen 2.992 N/A ARG 153.A N THR 150.A O no hydrogen 3.149 N/A ARG 153.A NE GLU 149.A OE2 no hydrogen 3.092 N/A ARG 153.A NH2 GLU 149.A OE2 no hydrogen 3.011 N/A GLU 154.A N THR 150.A O no hydrogen 2.956 N/A ASP 155.A N ARG 151.A O no hydrogen 2.779 N/A VAL 157.A N ASP 155.A OD2 no hydrogen 2.717 N/A ARG 158.A N ASP 155.A O no hydrogen 3.276 N/A ARG 158.A NE ASP 112.A OD1 no hydrogen 3.009 N/A MET 159.A N PRO 156.A O no hydrogen 2.858 N/A ARG 161.A N VAL 157.A O no hydrogen 2.893 N/A ARG 161.A NH1 ASP 112.A OD2 no hydrogen 2.653 N/A ARG 161.A NH2 ASP 155.A OD1 no hydrogen 3.186 N/A ALA 162.A N ARG 158.A O no hydrogen 3.092 N/A VAL 163.A N MET 159.A O no hydrogen 3.276 N/A ARG 164.A N LEU 160.A O no hydrogen 2.826 N/A ARG 164.A NH2 GLU 199.A OE2 no hydrogen 2.810 N/A PHE 165.A N ARG 161.A O no hydrogen 2.960 N/A ALA 166.A N ALA 162.A O no hydrogen 3.132 N/A ALA 167.A N VAL 163.A O no hydrogen 3.262 N/A ALA 167.A N ARG 164.A O no hydrogen 3.032 N/A LYS 168.A N ARG 164.A O no hydrogen 2.980 N/A LEU 169.A N PHE 165.A O no hydrogen 3.063 N/A ARG 172.A N GLY 140.A O no hydrogen 3.118 N/A ARG 172.A NH2 ASP 139.A O no hydrogen 3.312 N/A SER 174.A N ILE 142.A O no hydrogen 2.923 N/A SER 174.A OG GLU 176.A OE1 no hydrogen 3.048 N/A SER 174.A OG THR 177.A OG1 no hydrogen 3.327 N/A THR 177.A N SER 174.A O no hydrogen 2.726 N/A THR 177.A OG1 SER 174.A OG no hydrogen 3.327 N/A THR 177.A OG1 GLU 176.A OE2 no hydrogen 3.519 N/A ALA 178.A N PRO 175.A O no hydrogen 2.885 N/A GLU 179.A N PRO 175.A O no hydrogen 3.123 N/A ILE 181.A N ALA 178.A O no hydrogen 3.004 N/A ARG 183.A NE GLU 179.A OE1 no hydrogen 3.384 N/A ARG 183.A NE GLU 179.A OE2 no hydrogen 3.462 N/A ARG 183.A NH2 GLU 149.A OE1 no hydrogen 2.964 N/A ARG 183.A NH2 GLU 179.A OE2 no hydrogen 3.251 N/A LEU 184.A N PRO 180.A O no hydrogen 2.943 N/A LEU 187.A N LEU 184.A O no hydrogen 2.691 N/A LEU 188.A N ALA 185.A O no hydrogen 2.979 N/A ASN 189.A N THR 186.A O no hydrogen 2.668 N/A ASP 190.A N LEU 187.A O no hydrogen 3.315 N/A ILE 191.A N LEU 188.A O no hydrogen 3.133 N/A LEU 196.A N PRO 192.A O no hydrogen 3.319 N/A PHE 197.A N PRO 193.A O no hydrogen 2.969 N/A GLU 198.A N ALA 194.A O no hydrogen 3.052 N/A GLU 199.A N HIS 195.A O no hydrogen 2.975 N/A SER 200.A N LEU 196.A O no hydrogen 2.783 N/A SER 200.A OG PHE 197.A O no hydrogen 2.950 N/A LEU 201.A N PHE 197.A O no hydrogen 3.198 N/A LEU 201.A N GLU 198.A O no hydrogen 3.043 N/A LYS 202.A N GLU 198.A O no hydrogen 3.355 N/A GLN 205.A N LEU 201.A O no hydrogen 3.051 N/A GLN 205.A NE2 ASN 263.A O no hydrogen 3.475 N/A THR 212.A N TYR 208.A O no hydrogen 3.421 N/A TYR 213.A N TYR 210.A O no hydrogen 3.006 N/A LYS 214.A N TYR 210.A O no hydrogen 3.037 N/A LYS 214.A NZ GLU 211.A OE2 no hydrogen 3.436 N/A LEU 215.A N GLU 211.A O no hydrogen 3.203 N/A LEU 216.A N THR 212.A O no hydrogen 3.115 N/A CYS 217.A N TYR 213.A O no hydrogen 2.875 N/A GLU 218.A N LYS 214.A O no hydrogen 3.350 N/A HIS 220.A N CYS 217.A O no hydrogen 3.132 N/A LEU 221.A N LEU 216.A O no hydrogen 2.984 N/A PHE 222.A N LEU 216.A O no hydrogen 2.741 N/A LEU 225.A N PHE 222.A O no hydrogen 3.076 N/A PHE 226.A N PHE 222.A O no hydrogen 3.036 N/A THR 228.A OG1 GLU 305.A OE1 no hydrogen 2.788 N/A THR 230.A N PHE 226.A O no hydrogen 3.057 N/A THR 230.A OG1 PHE 226.A O no hydrogen 2.761 N/A THR 230.A OG1 PRO 227.A O no hydrogen 3.236 N/A ARG 231.A N PRO 227.A O no hydrogen 3.263 N/A ARG 231.A NH1 GLU 305.A OE1 no hydrogen 3.102 N/A ARG 231.A NH2 GLU 305.A OE1 no hydrogen 2.884 N/A ARG 231.A NH2 GLU 305.A OE2 no hydrogen 2.946 N/A TYR 232.A N ILE 229.A O no hydrogen 2.577 N/A PHE 233.A N THR 230.A O no hydrogen 2.780 N/A THR 234.A N GLU 242.A OE1 no hydrogen 3.187 N/A THR 234.A OG1 GLU 242.A OE2 no hydrogen 3.322 N/A GLY 237.A N THR 234.A OG1 no hydrogen 3.296 N/A SER 239.A N GLU 242.A OE2 no hydrogen 2.915 N/A GLU 242.A N SER 239.A OG no hydrogen 3.365 N/A ARG 243.A N SER 239.A O no hydrogen 3.105 N/A ARG 243.A NE VAL 360.A O no hydrogen 3.575 N/A ARG 243.A NH1 ASP 238.A OD2 no hydrogen 2.828 N/A ILE 244.A N PRO 240.A O no hydrogen 3.068 N/A ILE 245.A N MET 241.A O no hydrogen 2.927 N/A GLU 246.A N GLU 242.A O no hydrogen 3.127 N/A GLN 247.A N ARG 243.A O no hydrogen 2.962 N/A GLN 247.A NE2 GLN 247.A O no hydrogen 3.282 N/A GLN 247.A NE2 ASN 251.A OD1 no hydrogen 3.364 N/A VAL 248.A N ILE 244.A O no hydrogen 2.871 N/A LYS 250.A N GLU 246.A O no hydrogen 2.917 N/A ASN 251.A N GLN 247.A O no hydrogen 2.813 N/A THR 252.A N VAL 248.A O no hydrogen 2.827 N/A THR 252.A OG1 VAL 248.A O no hydrogen 3.243 N/A ASP 253.A N LEU 249.A O no hydrogen 2.885 N/A THR 254.A N LYS 250.A O no hydrogen 2.952 N/A THR 254.A OG1 LYS 250.A O no hydrogen 3.317 N/A ARG 255.A N ASN 251.A O no hydrogen 2.922 N/A ILE 256.A N THR 252.A O no hydrogen 3.193 N/A ILE 256.A N ASP 253.A O no hydrogen 3.092 N/A HIS 257.A N ASP 253.A O no hydrogen 3.098 N/A HIS 257.A N THR 254.A O no hydrogen 2.991 N/A ASN 258.A N ARG 255.A O no hydrogen 3.421 N/A ASP 259.A N ILE 256.A O no hydrogen 3.393 N/A MET 260.A N ARG 255.A O no hydrogen 2.899 N/A ALA 265.A N ASN 263.A OD1 no hydrogen 3.029 N/A PHE 268.A N PRO 264.A O no hydrogen 3.510 N/A ALA 269.A N ALA 265.A O no hydrogen 3.153 N/A ALA 270.A N PHE 266.A O no hydrogen 2.809 N/A ALA 270.A N LEU 267.A O no hydrogen 3.115 N/A MET 271.A N LEU 267.A O no hydrogen 3.020 N/A PHE 272.A N PHE 268.A O no hydrogen 2.998 N/A TRP 273.A N ALA 270.A O no hydrogen 3.352 N/A TYR 274.A OH GLU 361.A OE2 no hydrogen 2.774 N/A LEU 276.A N PHE 272.A O no hydrogen 2.738 N/A LEU 277.A N TRP 273.A O no hydrogen 2.690 N/A GLU 278.A N TYR 274.A O no hydrogen 2.815 N/A THR 279.A N PRO 275.A O no hydrogen 3.076 N/A THR 279.A OG1 PRO 275.A O no hydrogen 2.949 N/A ALA 280.A N LEU 276.A O no hydrogen 3.105 N/A GLN 281.A N LEU 277.A O no hydrogen 3.162 N/A LYS 282.A N GLU 278.A O no hydrogen 3.074 N/A ILE 283.A N THR 279.A O no hydrogen 3.381 N/A ALA 284.A N ALA 280.A O no hydrogen 2.934 N/A GLN 285.A N GLN 281.A O no hydrogen 3.160 N/A GLU 286.A N LYS 282.A O no hydrogen 3.069 N/A SER 287.A OG GLU 286.A O no hydrogen 3.132 N/A ASP 293.A N THR 290.A OG1 no hydrogen 3.080 N/A ALA 294.A N THR 290.A O no hydrogen 3.019 N/A PHE 295.A N TYR 291.A O no hydrogen 2.890 N/A ALA 296.A N HIS 292.A O no hydrogen 3.497 N/A LEU 297.A N ASP 293.A O no hydrogen 3.344 N/A ALA 298.A N ALA 294.A O no hydrogen 3.009 N/A MET 299.A N PHE 295.A O no hydrogen 2.828 N/A ASN 300.A N ALA 296.A O no hydrogen 3.269 N/A ASP 301.A N LEU 297.A O no hydrogen 2.866 N/A VAL 302.A N ALA 298.A O no hydrogen 2.861 N/A LEU 303.A N MET 299.A O no hydrogen 3.158 N/A ASP 304.A N ASN 300.A O no hydrogen 3.343 N/A ASP 304.A N ASP 301.A O no hydrogen 3.167 N/A GLU 305.A N ASP 301.A O no hydrogen 3.424 N/A ALA 306.A N VAL 302.A O no hydrogen 3.308 N/A CYS 307.A N LEU 303.A O no hydrogen 2.986 N/A CYS 307.A SG LEU 303.A O no hydrogen 3.167 N/A ARG 308.A N GLU 305.A O no hydrogen 3.103 N/A SER 309.A N ALA 306.A O no hydrogen 2.895 N/A LEU 310.A N ALA 306.A O no hydrogen 2.956 N/A ALA 311.A N PRO 193.A O no hydrogen 2.793 N/A ILE 312.A N LEU 310.A O no hydrogen 2.826 N/A THR 317.A N PRO 313.A O no hydrogen 3.107 N/A THR 317.A OG1 LYS 314.A O no hydrogen 2.997 N/A THR 318.A N LYS 314.A O no hydrogen 3.386 N/A THR 318.A OG1 LYS 314.A O no hydrogen 3.004 N/A THR 320.A N LEU 316.A O no hydrogen 3.184 N/A THR 320.A OG1 ALA 265.A O no hydrogen 3.226 N/A THR 320.A OG1 LEU 316.A O no hydrogen 2.942 N/A ARG 321.A N THR 317.A O no hydrogen 3.122 N/A ASP 322.A N THR 318.A O no hydrogen 3.037 N/A ILE 323.A N LEU 319.A O no hydrogen 2.894 N/A TRP 324.A N THR 320.A O no hydrogen 2.996 N/A TRP 324.A NE1 ALA 269.A O no hydrogen 2.828 N/A GLN 325.A N ARG 321.A O no hydrogen 2.864 N/A LEU 326.A N ASP 322.A O no hydrogen 3.060 N/A GLN 327.A N TRP 324.A O no hydrogen 2.630 N/A GLN 327.A NE2 ILE 323.A O no hydrogen 3.194 N/A GLN 327.A NE2 ALA 350.A O no hydrogen 2.790 N/A LEU 328.A N GLN 325.A O no hydrogen 2.873 N/A ARG 329.A N GLN 325.A O no hydrogen 3.292 N/A MET 330.A N LEU 326.A O no hydrogen 2.851 N/A SER 331.A N LEU 328.A O no hydrogen 2.780 N/A SER 331.A OG LEU 328.A O no hydrogen 2.672 N/A ARG 332.A N LEU 328.A O no hydrogen 3.348 N/A ARG 333.A NH1 ARG 332.A O no hydrogen 3.350 N/A GLN 334.A N ARG 332.A O no hydrogen 2.439 N/A ALA 338.A N GLY 335.A O no hydrogen 3.002 N/A LEU 341.A N ARG 337.A O no hydrogen 3.445 N/A LEU 342.A N ALA 338.A O no hydrogen 2.841 N/A GLU 343.A N LYS 340.A O no hydrogen 3.053 N/A HIS 344.A N LEU 341.A O no hydrogen 2.735 N/A LYS 346.A N HIS 344.A ND1 no hydrogen 3.135 N/A PHE 347.A N HIS 344.A O no hydrogen 3.202 N/A ALA 350.A N LYS 346.A O no hydrogen 3.098 N/A TYR 351.A N PHE 347.A O no hydrogen 2.726 N/A ASP 352.A N ARG 348.A O no hydrogen 2.841 N/A LEU 353.A N ALA 349.A O no hydrogen 2.936 N/A LEU 353.A N ALA 350.A O no hydrogen 3.231 N/A LEU 354.A N ALA 350.A O no hydrogen 2.924 N/A ALA 355.A N TYR 351.A O no hydrogen 2.728 N/A LEU 356.A N ASP 352.A O no hydrogen 3.255 N/A ARG 357.A N LEU 353.A O no hydrogen 2.835 N/A ARG 357.A NH1 GLN 327.A OE1 no hydrogen 3.332 N/A ALA 358.A N LEU 354.A O no hydrogen 3.228 N/A ALA 358.A N ALA 355.A O no hydrogen 3.194 N/A GLU 359.A N ALA 355.A O no hydrogen 3.207 N/A VAL 360.A N LEU 356.A O no hydrogen 2.899 N/A GLU 361.A N ARG 357.A O no hydrogen 3.472 N/A GLN 367.A NE2 ASN 363.A O no hydrogen 3.331 N/A ARG 368.A N ALA 364.A O no hydrogen 3.009 N/A ARG 368.A N GLU 365.A O no hydrogen 3.059 N/A VAL 370.A N LEU 366.A O no hydrogen 3.170 N/A LYS 371.A N GLN 367.A O no hydrogen 3.374 N/A TRP 372.A N ARG 368.A O no hydrogen 2.773 N/A TRP 373.A N LEU 369.A O no hydrogen 3.025 N/A TRP 373.A NE1 MET 330.A O no hydrogen 3.314 N/A GLY 374.A N VAL 370.A O no hydrogen 3.007 N/A GLU 375.A N LYS 371.A O no hydrogen 3.243 N/A GLU 375.A N TRP 372.A O no hydrogen 2.787 N/A PHE 376.A N TRP 372.A O no hydrogen 3.046 N/A VAL 378.A N GLU 375.A O no hydrogen 2.804 N/A SER 379.A N GLU 375.A O no hydrogen 2.985 N/A SER 379.A OG GLU 375.A O no hydrogen 3.325 N/A GLN 384.A N ALA 380.A O no hydrogen 2.546 N/A GLN 384.A NE2 SER 379.A O no hydrogen 2.351 N/A LYS 385.A N PRO 381.A O no hydrogen 2.682 N/A GLY 386.A N PRO 382.A O no hydrogen 3.181 N/A MET 387.A N ASP 383.A O no hydrogen 3.149 N/A LEU 388.A N LYS 385.A O no hydrogen 3.104 N/A