Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aqk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 8.A N PRO 5.A O no hydrogen 2.651 N/A HIS 9.A ND1 ILE 4.A O no hydrogen 3.297 N/A SER 12.A OG HIS 9.A NE2 no hydrogen 2.499 N/A ARG 13.A NE ILE 11.A O no hydrogen 3.273 N/A LYS 14.A NZ TYR 25.A OH no hydrogen 2.980 N/A SER 17.A N LYS 14.A O no hydrogen 3.306 N/A SER 17.A OG LYS 14.A O no hydrogen 3.082 N/A LEU 21.A N GLU 18.A O no hydrogen 2.839 N/A LYS 22.A N ASN 19.A O no hydrogen 2.539 N/A VAL 23.A N ALA 20.A O no hydrogen 3.111 N/A TYR 25.A N LYS 22.A O no hydrogen 3.090 N/A ARG 26.A N VAL 23.A O no hydrogen 3.120 N/A ASN 28.A N MET 24.A O no hydrogen 3.117 N/A ASN 28.A ND2 TYR 32.A O no hydrogen 3.621 N/A ALA 30.A N ARG 26.A O no hydrogen 3.273 N/A GLY 31.A N LEU 27.A O no hydrogen 3.203 N/A TYR 32.A OH GLN 63.A OE1 no hydrogen 3.340 N/A TRP 35.A N THR 56.A O no hydrogen 3.041 N/A LEU 36.A N TYR 118.A O no hydrogen 3.005 N/A VAL 37.A N ASP 54.A O no hydrogen 3.401 N/A ARG 42.A N GLY 38.A O no hydrogen 2.913 N/A LEU 44.A N GLY 40.A O no hydrogen 2.527 N/A LEU 45.A N VAL 41.A O no hydrogen 2.810 N/A GLY 47.A N ASP 43.A O no hydrogen 3.142 N/A VAL 55.A N GLU 91.A O no hydrogen 3.161 N/A THR 56.A OG1 ALA 93.A O no hydrogen 3.232 N/A THR 57.A N ALA 93.A O no hydrogen 3.374 N/A ASN 58.A ND2 GLU 33.A O no hydrogen 3.310 N/A ALA 59.A N THR 57.A OG1 no hydrogen 3.394 N/A VAL 64.A N THR 60.A O no hydrogen 2.936 N/A LYS 66.A N GLU 62.A O no hydrogen 2.547 N/A LEU 67.A N VAL 64.A O no hydrogen 3.087 N/A PHE 68.A N VAL 64.A O no hydrogen 2.910 N/A ARG 69.A NE LYS 66.A O no hydrogen 3.202 N/A LEU 73.A N CYS 71.A O no hydrogen 2.315 N/A VAL 74.A N HIS 82.A O no hydrogen 3.120 N/A ALA 81.A N VAL 92.A O no hydrogen 2.880 N/A HIS 82.A N VAL 74.A O no hydrogen 3.059 N/A VAL 83.A N ILE 90.A O no hydrogen 3.378 N/A ILE 90.A N VAL 83.A O no hydrogen 3.038 N/A ALA 93.A N VAL 55.A O no hydrogen 3.412 N/A ARG 96.A NE ASP 105.A OD1 no hydrogen 3.328 N/A ASP 105.A N SER 101.A O no hydrogen 2.902 N/A ALA 106.A N GLU 103.A O no hydrogen 2.886 N/A ARG 109.A N ALA 106.A O no hydrogen 3.113 N/A THR 112.A N ARG 141.A O no hydrogen 3.134 N/A THR 112.A OG1 ASP 134.A OD2 no hydrogen 2.753 N/A ASN 114.A N PHE 111.A O no hydrogen 3.050 N/A SER 115.A OG PHE 111.A O no hydrogen 3.072 N/A TYR 117.A OH ASP 105.A OD2 no hydrogen 2.901 N/A TYR 118.A N LEU 36.A O no hydrogen 3.222 N/A SER 119.A OG ALA 34.A O no hydrogen 3.253 N/A ALA 121.A N SER 119.A OG no hydrogen 3.190 N/A ASP 122.A N SER 119.A O no hydrogen 3.247 N/A PHE 123.A N SER 119.A O no hydrogen 2.874 N/A VAL 125.A N ILE 4.A O no hydrogen 3.235 N/A ARG 126.A NH2 ASP 122.A OD2 no hydrogen 3.295 N/A TYR 128.A N ARG 126.A O no hydrogen 3.258 N/A MET 132.A N ASP 127.A OD1 no hydrogen 2.738 N/A LYS 133.A N GLY 130.A O no hydrogen 2.814 N/A ASP 134.A N GLY 130.A O no hydrogen 3.169 N/A LEU 135.A N GLY 131.A O no hydrogen 3.079 N/A LYS 136.A N MET 132.A O no hydrogen 3.073 N/A ASP 137.A N LYS 133.A O no hydrogen 2.850 N/A GLY 138.A N LEU 135.A O no hydrogen 3.394 N/A VAL 139.A N ASP 134.A O no hydrogen 2.897 N/A ILE 140.A N ARG 170.A O no hydrogen 2.729 N/A ARG 149.A N ASN 145.A O no hydrogen 2.828 N/A ARG 149.A NH2 ARG 109.A O no hydrogen 3.366 N/A TYR 150.A N PRO 146.A O no hydrogen 3.269 N/A TYR 150.A OH THR 175.A O no hydrogen 2.874 N/A ARG 151.A NE GLU 147.A OE2 no hydrogen 2.872 N/A ARG 151.A NH2 GLU 147.A OE2 no hydrogen 2.281 N/A GLU 152.A N THR 148.A O no hydrogen 2.896 N/A ARG 156.A N ASP 153.A O no hydrogen 3.090 N/A MET 157.A N PRO 154.A O no hydrogen 2.887 N/A ARG 159.A N VAL 155.A O no hydrogen 3.459 N/A ARG 159.A NH1 ASP 153.A OD1 no hydrogen 3.283 N/A ALA 160.A N ARG 156.A O no hydrogen 3.317 N/A VAL 161.A N MET 157.A O no hydrogen 3.331 N/A ARG 162.A N LEU 158.A O no hydrogen 2.782 N/A PHE 163.A N ARG 159.A O no hydrogen 2.934 N/A ALA 165.A N VAL 161.A O no hydrogen 3.121 N/A LYS 166.A N ARG 162.A O no hydrogen 3.341 N/A LYS 166.A NZ TYR 206.A OH no hydrogen 3.253 N/A LEU 167.A N PHE 163.A O no hydrogen 3.241 N/A MET 169.A N LEU 167.A O no hydrogen 2.409 N/A ALA 176.A N SER 172.A O no hydrogen 2.713 N/A ARG 181.A NH1 GLU 177.A OE1 no hydrogen 3.384 N/A LEU 182.A N PRO 178.A O no hydrogen 3.123 N/A ALA 183.A N ILE 179.A O no hydrogen 2.418 N/A LEU 185.A N LEU 182.A O no hydrogen 2.552 N/A LEU 186.A N ALA 183.A O no hydrogen 3.174 N/A ASN 187.A N THR 184.A O no hydrogen 2.796 N/A ASP 188.A N LEU 185.A O no hydrogen 3.371 N/A ILE 189.A N LEU 186.A O no hydrogen 2.582 N/A HIS 193.A N PRO 190.A O no hydrogen 2.933 N/A LEU 194.A N PRO 190.A O no hydrogen 3.384 N/A PHE 195.A N PRO 191.A O no hydrogen 2.687 N/A GLU 196.A N HIS 193.A O no hydrogen 3.446 N/A GLU 197.A N HIS 193.A O no hydrogen 3.325 N/A SER 198.A OG LEU 194.A O no hydrogen 3.386 N/A SER 198.A OG PHE 195.A O no hydrogen 2.312 N/A LYS 200.A N GLU 196.A O no hydrogen 3.338 N/A LEU 201.A N SER 198.A O no hydrogen 2.775 N/A GLY 205.A N LEU 202.A O no hydrogen 3.041 N/A GLY 207.A N LEU 202.A O no hydrogen 2.926 N/A TYR 208.A N ASP 251.A OD2 no hydrogen 3.320 N/A GLU 209.A N TYR 206.A O no hydrogen 3.209 N/A THR 210.A OG1 LEU 201.A O no hydrogen 3.548 N/A TYR 211.A N GLY 207.A O no hydrogen 2.806 N/A LYS 212.A N TYR 208.A O no hydrogen 2.965 N/A LYS 212.A NZ GLU 209.A OE1 no hydrogen 3.076 N/A LEU 213.A N GLU 209.A O no hydrogen 3.169 N/A LEU 214.A N THR 210.A O no hydrogen 2.913 N/A CYS 215.A N TYR 211.A O no hydrogen 2.915 N/A TYR 217.A N LEU 214.A O no hydrogen 3.063 N/A HIS 218.A N CYS 215.A O no hydrogen 2.777 N/A LEU 219.A N LEU 214.A O no hydrogen 3.050 N/A PHE 220.A N LEU 214.A O no hydrogen 3.195 N/A PHE 224.A N PHE 220.A O no hydrogen 3.400 N/A THR 228.A N PHE 224.A O no hydrogen 2.974 N/A THR 228.A OG1 GLN 221.A OE1 no hydrogen 2.624 N/A THR 228.A OG1 PHE 224.A O no hydrogen 2.479 N/A THR 228.A OG1 PRO 225.A O no hydrogen 3.486 N/A ARG 229.A N PRO 225.A O no hydrogen 3.398 N/A TYR 230.A N ILE 227.A O no hydrogen 2.507 N/A PHE 231.A N THR 228.A O no hydrogen 3.079 N/A THR 232.A N GLU 240.A OE1 no hydrogen 2.555 N/A GLY 235.A N THR 232.A OG1 no hydrogen 3.280 N/A ILE 242.A N PRO 238.A O no hydrogen 2.566 N/A ILE 243.A N MET 239.A O no hydrogen 3.344 N/A GLU 244.A N GLU 240.A O no hydrogen 3.366 N/A GLN 245.A N ARG 241.A O no hydrogen 3.122 N/A GLN 245.A N ILE 242.A O no hydrogen 2.945 N/A GLN 245.A NE2 ASN 249.A OD1 no hydrogen 3.496 N/A VAL 246.A N ILE 242.A O no hydrogen 2.906 N/A LEU 247.A N ILE 243.A O no hydrogen 3.240 N/A LYS 248.A N GLU 244.A O no hydrogen 3.198 N/A ASN 249.A N GLN 245.A O no hydrogen 2.665 N/A THR 250.A N VAL 246.A O no hydrogen 3.268 N/A THR 250.A OG1 VAL 246.A O no hydrogen 3.497 N/A ASP 251.A N LEU 247.A O no hydrogen 2.462 N/A THR 252.A N LYS 248.A O no hydrogen 3.216 N/A THR 252.A OG1 LYS 248.A O no hydrogen 3.545 N/A ARG 253.A N ASN 249.A O no hydrogen 2.463 N/A ARG 253.A NE ARG 259.A O no hydrogen 3.297 N/A ARG 253.A NH2 ARG 259.A O no hydrogen 3.485 N/A ILE 254.A N THR 250.A O no hydrogen 2.982 N/A HIS 255.A N ASP 251.A O no hydrogen 3.130 N/A ALA 267.A N ALA 263.A O no hydrogen 3.132 N/A ALA 268.A N PHE 264.A O no hydrogen 2.802 N/A MET 269.A N LEU 265.A O no hydrogen 2.982 N/A MET 269.A N PHE 266.A O no hydrogen 3.089 N/A PHE 270.A N PHE 266.A O no hydrogen 3.420 N/A TRP 271.A N ALA 267.A O no hydrogen 3.233 N/A LEU 274.A N PHE 270.A O no hydrogen 2.589 N/A LEU 275.A N TRP 271.A O no hydrogen 2.485 N/A GLU 276.A N TYR 272.A O no hydrogen 2.602 N/A THR 277.A N PRO 273.A O no hydrogen 3.134 N/A THR 277.A OG1 PRO 273.A O no hydrogen 2.949 N/A ALA 278.A N LEU 274.A O no hydrogen 2.653 N/A GLN 279.A N LEU 275.A O no hydrogen 3.001 N/A LYS 280.A N GLU 276.A O no hydrogen 3.356 N/A ILE 281.A N THR 277.A O no hydrogen 3.198 N/A ALA 282.A N ALA 278.A O no hydrogen 3.104 N/A GLN 283.A N LYS 280.A O no hydrogen 3.299 N/A GLU 284.A N LYS 280.A O no hydrogen 2.979 N/A ALA 292.A N THR 288.A O no hydrogen 2.706 N/A PHE 293.A N TYR 289.A O no hydrogen 2.835 N/A ALA 296.A N ALA 292.A O no hydrogen 3.256 N/A MET 297.A N PHE 293.A O no hydrogen 2.983 N/A ASP 299.A N LEU 295.A O no hydrogen 2.910 N/A VAL 300.A N ALA 296.A O no hydrogen 3.233 N/A LEU 301.A N MET 297.A O no hydrogen 3.040 N/A ASP 302.A N ASN 298.A O no hydrogen 2.596 N/A GLU 303.A N ASP 299.A O no hydrogen 2.897 N/A ALA 304.A N VAL 300.A O no hydrogen 2.765 N/A CYS 305.A N LEU 301.A O no hydrogen 2.336 N/A CYS 305.A SG ILE 310.A O no hydrogen 3.934 N/A ARG 306.A N ASP 302.A O no hydrogen 2.973 N/A SER 307.A N GLU 303.A O no hydrogen 3.140 N/A SER 307.A OG GLU 303.A O no hydrogen 3.123 N/A LEU 308.A N ALA 304.A O no hydrogen 2.759 N/A THR 315.A N PRO 311.A O no hydrogen 2.918 N/A THR 315.A OG1 LYS 312.A O no hydrogen 2.993 N/A THR 316.A N LYS 312.A O no hydrogen 2.888 N/A THR 316.A OG1 LYS 312.A O no hydrogen 3.055 N/A LEU 317.A N ARG 313.A O no hydrogen 3.338 N/A LEU 317.A N LEU 314.A O no hydrogen 3.213 N/A THR 318.A N LEU 314.A O no hydrogen 2.923 N/A THR 318.A OG1 ALA 263.A O no hydrogen 3.310 N/A THR 318.A OG1 LEU 314.A O no hydrogen 2.833 N/A ARG 319.A N THR 315.A O no hydrogen 2.687 N/A ARG 319.A NH1 ASN 298.A OD1 no hydrogen 3.012 N/A ARG 319.A NH2 ASN 298.A OD1 no hydrogen 3.054 N/A ASP 320.A N THR 316.A O no hydrogen 3.343 N/A ILE 321.A N LEU 317.A O no hydrogen 2.733 N/A TRP 322.A N THR 318.A O no hydrogen 3.369 N/A TRP 322.A N ARG 319.A O no hydrogen 2.840 N/A GLN 323.A N ARG 319.A O no hydrogen 3.179 N/A LEU 324.A N ASP 320.A O no hydrogen 3.213 N/A GLN 325.A N TRP 322.A O no hydrogen 2.283 N/A GLN 325.A NE2 ILE 321.A O no hydrogen 3.152 N/A GLN 325.A NE2 ALA 348.A O no hydrogen 2.881 N/A ARG 327.A N LEU 324.A O no hydrogen 2.379 N/A MET 328.A N LEU 324.A O no hydrogen 2.559 N/A LEU 339.A N ARG 335.A O no hydrogen 3.218 N/A LEU 340.A N ALA 336.A O no hydrogen 2.858 N/A GLU 341.A N TRP 337.A O no hydrogen 3.177 N/A GLU 341.A N LYS 338.A O no hydrogen 3.004 N/A HIS 342.A N LYS 338.A O no hydrogen 3.247 N/A LYS 344.A N HIS 342.A ND1 no hydrogen 2.749 N/A PHE 345.A N HIS 342.A O no hydrogen 2.771 N/A TYR 349.A N PHE 345.A O no hydrogen 3.277 N/A ASP 350.A N ARG 346.A O no hydrogen 2.801 N/A LEU 351.A N ALA 347.A O no hydrogen 2.811 N/A LEU 352.A N ALA 348.A O no hydrogen 3.162 N/A ALA 353.A N TYR 349.A O no hydrogen 2.887 N/A ALA 353.A N ASP 350.A O no hydrogen 3.222 N/A LEU 354.A N ASP 350.A O no hydrogen 3.478 N/A ARG 355.A N LEU 351.A O no hydrogen 2.622 N/A ALA 356.A N LEU 352.A O no hydrogen 3.027 N/A GLU 357.A N LEU 354.A O no hydrogen 2.645 N/A VAL 358.A N LEU 354.A O no hydrogen 3.184 N/A GLU 359.A N ARG 355.A O no hydrogen 3.216 N/A GLN 365.A N ASN 361.A O no hydrogen 3.164 N/A ARG 366.A N ALA 362.A O no hydrogen 2.733 N/A VAL 368.A N LEU 364.A O no hydrogen 2.847 N/A LYS 369.A N GLN 365.A O no hydrogen 3.111 N/A TRP 371.A N LEU 367.A O no hydrogen 2.941 N/A GLY 372.A N VAL 368.A O no hydrogen 2.740 N/A GLU 373.A N LYS 369.A O no hydrogen 3.178 N/A PHE 374.A N TRP 370.A O no hydrogen 2.891 N/A GLN 375.A N GLY 372.A O no hydrogen 3.395 N/A VAL 376.A N GLU 373.A O no hydrogen 3.037 N/A SER 377.A OG GLU 373.A O no hydrogen 3.515 N/A GLN 382.A NE2 PHE 374.A O no hydrogen 2.690 N/A LYS 383.A N PRO 379.A O no hydrogen 2.904 N/A MET 385.A N ASP 381.A O no hydrogen 2.849 N/A LEU 386.A N GLN 382.A O no hydrogen 3.252 N/A ASN 387.A N GLY 384.A O no hydrogen 3.004 N/A GLU 388.A N MET 385.A O no hydrogen 2.862 N/A