Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qe1_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 11.A N GLN 85.A OE1 no hydrogen 3.356 N/A LYS 13.A N ARG 83.A O no hydrogen 2.788 N/A LYS 13.A NZ LYS 82.A O no hydrogen 3.149 N/A LYS 13.A NZ ASP 86.A OD1 no hydrogen 3.417 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 3.283 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 2.758 N/A LYS 30.A N THR 27.A OG1 no hydrogen 2.990 N/A LYS 30.A NZ ALA 62.A O no hydrogen 3.450 N/A LYS 30.A NZ THR 391.A O no hydrogen 3.160 N/A ILE 31.A N THR 27.A O no hydrogen 2.832 N/A LYS 32.A N GLU 28.A O no hydrogen 3.125 N/A LEU 34.A N LYS 30.A O no hydrogen 3.144 N/A VAL 35.A N ILE 31.A O no hydrogen 2.803 N/A GLU 36.A N LYS 32.A O no hydrogen 2.955 N/A ILE 37.A N ALA 33.A O no hydrogen 2.996 N/A CYS 38.A N VAL 35.A O no hydrogen 2.958 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.217 N/A THR 39.A N VAL 35.A O no hydrogen 3.047 N/A THR 39.A N GLU 36.A O no hydrogen 2.914 N/A THR 39.A OG1 GLU 36.A O no hydrogen 2.974 N/A GLU 42.A N THR 39.A O no hydrogen 3.184 N/A LYS 43.A N THR 39.A O no hydrogen 2.916 N/A LYS 43.A NZ GLU 40.A OE2 no hydrogen 3.037 N/A GLU 44.A N GLU 40.A O no hydrogen 2.763 N/A GLY 45.A N GLU 42.A O no hydrogen 3.205 N/A LYS 46.A N MET 41.A O no hydrogen 2.848 N/A LYS 46.A NZ GLU 44.A OE1 no hydrogen 2.891 N/A SER 48.A N GLN 145.A O no hydrogen 3.128 N/A SER 48.A OG ASN 147.A OD1 no hydrogen 2.869 N/A ILE 50.A N ARG 143.A O no hydrogen 3.001 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.951 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 3.299 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 3.142 N/A ASN 57.A N PRO 19.A O no hydrogen 3.233 N/A ASN 57.A ND2 TYR 56.A O no hydrogen 3.426 N/A ASN 57.A ND2 THR 131.A OG1 no hydrogen 2.511 N/A THR 58.A OG1 ALA 129.A O no hydrogen 3.233 N/A VAL 60.A N GLN 23.A OE1 no hydrogen 2.779 N/A PHE 61.A N LEU 74.A O no hydrogen 2.777 N/A ILE 63.A N ARG 72.A O no hydrogen 3.068 N/A ARG 72.A NH2 ASP 185.A OD2 no hydrogen 3.441 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 2.725 N/A LEU 74.A N PHE 61.A O no hydrogen 2.729 N/A ASP 76.A N PRO 59.A O no hydrogen 2.738 N/A PHE 77.A N VAL 75.A O no hydrogen 3.004 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 2.866 N/A ARG 78.A NH1 PRO 400.A O no hydrogen 2.379 N/A ARG 78.A NH2 ASP 76.A OD1 no hydrogen 3.230 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 3.378 N/A ASN 81.A N PHE 77.A O no hydrogen 2.790 N/A LYS 82.A N ARG 78.A O no hydrogen 3.285 N/A LYS 82.A NZ GLU 79.A OE1 no hydrogen 3.150 N/A LYS 82.A NZ GLU 79.A OE2 no hydrogen 2.708 N/A ARG 83.A N GLU 79.A O no hydrogen 3.382 N/A ARG 83.A NE ASP 17.A O no hydrogen 2.621 N/A THR 84.A N ASN 81.A O no hydrogen 2.871 N/A THR 84.A OG1 LEU 80.A O no hydrogen 2.790 N/A GLN 85.A N LYS 11.A O no hydrogen 3.222 N/A GLN 85.A NE2 GLN 85.A O no hydrogen 3.562 N/A GLN 85.A NE2 ASP 86.A O no hydrogen 3.181 N/A HIS 96.A NE2 ILE 368.A O no hydrogen 2.716 N/A LEU 100.A N PRO 97.A O no hydrogen 2.750 N/A LYS 101.A NZ ALA 98.A O no hydrogen 3.190 N/A LYS 102.A N GLY 99.A O no hydrogen 3.057 N/A LYS 103.A NZ ASP 192.A OD2 no hydrogen 2.654 N/A LYS 104.A N ASP 192.A OD1 no hydrogen 2.883 N/A SER 105.A N SER 191.A O no hydrogen 3.275 N/A SER 105.A OG LYS 104.A O no hydrogen 2.788 N/A VAL 106.A N LEU 222.A O no hydrogen 2.631 N/A THR 107.A N VAL 189.A O no hydrogen 2.604 N/A VAL 108.A N TYR 220.A O no hydrogen 2.587 N/A LEU 109.A N LEU 187.A O no hydrogen 2.875 N/A ASP 113.A N ASP 113.A OD1 no hydrogen 2.454 N/A ALA 114.A N VAL 111.A O no hydrogen 2.880 N/A TYR 115.A N GLY 112.A O no hydrogen 3.275 N/A TYR 115.A OH ILE 184.A O no hydrogen 2.688 N/A PHE 116.A N ASP 113.A O no hydrogen 2.705 N/A LEU 120.A N ASN 147.A O no hydrogen 2.746 N/A ASP 123.A N ASP 121.A OD1 no hydrogen 2.662 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.590 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 3.189 N/A THR 128.A N ARG 125.A O no hydrogen 3.317 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.767 N/A ALA 129.A N LYS 126.A O no hydrogen 3.258 N/A PHE 130.A N TYR 144.A O no hydrogen 2.944 N/A ILE 132.A N ILE 142.A O no hydrogen 2.965 N/A SER 134.A OG THR 139.A O no hydrogen 2.887 N/A ASN 137.A N SER 134.A O no hydrogen 2.992 N/A GLU 138.A N ILE 135.A O no hydrogen 3.287 N/A GLY 141.A N THR 139.A O no hydrogen 2.510 N/A ILE 142.A N ILE 132.A O no hydrogen 3.307 N/A ARG 143.A NE THR 131.A OG1 no hydrogen 2.585 N/A ARG 143.A NH1 GLY 51.A O no hydrogen 3.138 N/A ARG 143.A NH1 ASN 54.A O no hydrogen 2.873 N/A ARG 143.A NH2 ASN 54.A O no hydrogen 3.518 N/A TYR 144.A N PHE 130.A O no hydrogen 3.084 N/A GLN 145.A N SER 48.A O no hydrogen 3.002 N/A ASN 147.A N LYS 46.A O no hydrogen 2.759 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 3.470 N/A ASN 147.A ND2 LYS 46.A O no hydrogen 2.619 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.700 N/A LYS 154.A NZ THR 84.A O no hydrogen 3.180 N/A SER 156.A OG PRO 150.A O no hydrogen 2.888 N/A ILE 159.A N GLY 155.A O no hydrogen 2.799 N/A PHE 160.A N SER 156.A O no hydrogen 2.979 N/A GLN 161.A N ILE 159.A O no hydrogen 2.646 N/A GLN 161.A NE2 GLY 93.A O no hydrogen 2.863 N/A MET 164.A N PHE 160.A O no hydrogen 3.441 N/A THR 165.A N GLN 161.A O no hydrogen 2.923 N/A THR 165.A OG1 GLN 161.A O no hydrogen 2.932 N/A THR 165.A OG1 SER 162.A O no hydrogen 2.474 N/A LYS 166.A N SER 162.A O no hydrogen 3.000 N/A ILE 167.A N SER 163.A O no hydrogen 2.912 N/A LEU 168.A N MET 164.A O no hydrogen 2.872 N/A LEU 168.A N THR 165.A O no hydrogen 3.081 N/A GLU 169.A N THR 165.A O no hydrogen 2.790 N/A GLU 169.A N LYS 166.A O no hydrogen 3.100 N/A LYS 172.A N LEU 168.A O no hydrogen 2.990 N/A LYS 173.A N GLU 169.A O no hydrogen 2.931 N/A GLN 174.A N PRO 170.A O no hydrogen 2.976 N/A ASN 175.A N PHE 171.A O no hydrogen 2.920 N/A ASN 175.A ND2 PHE 171.A O no hydrogen 3.684 N/A VAL 179.A N GLY 190.A O no hydrogen 2.864 N/A TYR 181.A N TYR 188.A O no hydrogen 2.738 N/A TYR 183.A N ASP 186.A O no hydrogen 2.976 N/A LEU 187.A N LEU 109.A O no hydrogen 2.820 N/A TYR 188.A N TYR 181.A O no hydrogen 2.487 N/A VAL 189.A N THR 107.A O no hydrogen 2.721 N/A GLY 190.A N VAL 179.A O no hydrogen 2.707 N/A HIS 198.A N ILE 195.A O no hydrogen 3.091 N/A ARG 199.A N ILE 195.A O no hydrogen 2.795 N/A ARG 199.A NE ILE 195.A O no hydrogen 2.878 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 2.508 N/A ILE 202.A N HIS 198.A O no hydrogen 3.249 N/A GLU 204.A N THR 200.A O no hydrogen 2.924 N/A LEU 205.A N LYS 201.A O no hydrogen 3.303 N/A ARG 206.A N ILE 202.A O no hydrogen 2.674 N/A GLN 207.A N GLU 203.A O no hydrogen 2.872 N/A HIS 208.A N GLU 204.A O no hydrogen 2.900 N/A LEU 209.A N LEU 205.A O no hydrogen 2.971 N/A LEU 210.A N ARG 206.A O no hydrogen 2.632 N/A ARG 211.A N GLN 207.A O no hydrogen 2.683 N/A TRP 212.A N HIS 208.A O no hydrogen 2.906 N/A GLY 213.A N LEU 210.A O no hydrogen 3.275 N/A LEU 214.A N LEU 209.A O no hydrogen 2.888 N/A THR 216.A N LEU 214.A O no hydrogen 3.247 N/A TYR 220.A N VAL 108.A O no hydrogen 3.209 N/A LEU 222.A N VAL 106.A O no hydrogen 2.878 N/A LYS 226.A N HIS 223.A O no hydrogen 3.178 N/A GLN 230.A N THR 339.A O no hydrogen 2.964 N/A ASN 243.A N LEU 277.A O no hydrogen 3.201 N/A ILE 245.A N THR 241.A O no hydrogen 3.280 N/A GLN 246.A N VAL 242.A O no hydrogen 3.014 N/A GLN 246.A N ASN 243.A O no hydrogen 2.722 N/A LYS 247.A N ASN 243.A O no hydrogen 2.982 N/A LEU 248.A N ASP 244.A O no hydrogen 2.970 N/A VAL 249.A N ILE 245.A O no hydrogen 3.059 N/A GLY 250.A N GLN 246.A O no hydrogen 2.675 N/A LYS 251.A N LYS 247.A O no hydrogen 2.798 N/A LYS 251.A NZ VAL 233.A O no hydrogen 2.384 N/A LEU 252.A N LEU 248.A O no hydrogen 2.948 N/A ASN 253.A N GLY 250.A O no hydrogen 2.828 N/A TRP 254.A N LYS 251.A O no hydrogen 3.068 N/A ALA 255.A N LYS 251.A O no hydrogen 3.339 N/A SER 256.A OG LEU 252.A O no hydrogen 3.044 N/A SER 256.A OG ASN 253.A O no hydrogen 2.958 N/A GLN 257.A N TRP 254.A O no hydrogen 2.727 N/A TYR 259.A N ALA 255.A O no hydrogen 2.916 N/A TYR 259.A OH LEU 298.A O no hydrogen 3.324 N/A LEU 267.A N ARG 265.A O no hydrogen 2.463 N/A LYS 269.A N ARG 265.A O no hydrogen 3.141 N/A ARG 272.A N LYS 269.A O no hydrogen 2.795 N/A THR 274.A OG1 GLY 273.A O no hydrogen 2.685 N/A LYS 275.A NZ ARG 272.A O no hydrogen 2.347 N/A GLU 279.A N ALA 276.A O no hydrogen 3.064 N/A GLU 279.A N LEU 277.A O no hydrogen 2.717 N/A ILE 281.A N GLU 279.A O no hydrogen 2.699 N/A THR 284.A N PRO 282.A O no hydrogen 2.677 N/A THR 284.A OG1 GLU 286.A OE1 no hydrogen 3.495 N/A ALA 287.A N THR 284.A O no hydrogen 2.950 N/A GLU 288.A N THR 284.A O no hydrogen 3.228 N/A LEU 291.A N ALA 287.A O no hydrogen 2.719 N/A ALA 292.A N GLU 288.A O no hydrogen 2.920 N/A ASN 294.A N GLU 290.A O no hydrogen 2.805 N/A ARG 295.A N LEU 291.A O no hydrogen 2.609 N/A ARG 295.A NH1 PRO 235.A O no hydrogen 2.767 N/A GLU 296.A N ALA 292.A O no hydrogen 3.302 N/A ILE 297.A N GLU 293.A O no hydrogen 3.337 N/A ASP 308.A N GLN 331.A OE1 no hydrogen 3.018 N/A SER 310.A N ASP 308.A OD1 no hydrogen 2.543 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.331 N/A ILE 314.A N TYR 330.A O no hydrogen 2.700 N/A ALA 315.A N LYS 376.A O no hydrogen 3.056 N/A GLU 316.A N GLN 328.A O no hydrogen 2.964 N/A GLN 318.A N THR 326.A O no hydrogen 3.074 N/A GLN 318.A NE2 GLN 328.A OE1 no hydrogen 2.539 N/A LYS 319.A NZ ASP 352.A OD2 no hydrogen 2.907 N/A GLN 320.A N GLN 324.A O no hydrogen 3.018 N/A GLN 320.A NE2 THR 326.A OG1 no hydrogen 3.188 N/A GLN 320.A NE2 VAL 411.A O no hydrogen 2.901 N/A TRP 325.A N TYR 342.A O no hydrogen 2.842 N/A TRP 325.A NE1 GLN 355.A OE1 no hydrogen 2.662 N/A THR 326.A N GLN 318.A O no hydrogen 3.334 N/A THR 326.A OG1 GLN 318.A O no hydrogen 3.270 N/A THR 326.A OG1 GLN 318.A OE1 no hydrogen 2.669 N/A TYR 327.A N GLY 340.A O no hydrogen 2.785 N/A GLN 328.A N GLU 316.A O no hydrogen 2.954 N/A GLN 328.A NE2 GLN 318.A OE1 no hydrogen 2.713 N/A ILE 329.A N LYS 338.A O no hydrogen 2.840 N/A TYR 330.A N ILE 314.A O no hydrogen 2.802 N/A TYR 330.A OH GLU 316.A OE2 no hydrogen 2.657 N/A GLN 331.A NE2 ASP 308.A O no hydrogen 2.788 N/A GLN 331.A NE2 LYS 311.A O no hydrogen 3.225 N/A LYS 335.A N GLU 332.A O no hydrogen 2.874 N/A LEU 337.A N ILE 329.A O no hydrogen 2.870 N/A LYS 338.A N ILE 329.A O no hydrogen 3.067 N/A THR 339.A OG1 GLN 230.A O no hydrogen 2.545 N/A GLY 340.A N TYR 327.A O no hydrogen 2.967 N/A TYR 342.A OH GLU 358.A OE1 no hydrogen 3.346 N/A THR 350.A N GLY 347.A O no hydrogen 3.098 N/A ASN 351.A N HIS 349.A O no hydrogen 2.761 N/A LYS 354.A N ASN 351.A OD1 no hydrogen 2.930 N/A LYS 354.A NZ GLU 358.A OE2 no hydrogen 3.395 N/A GLN 355.A N ASN 351.A O no hydrogen 3.057 N/A GLN 355.A NE2 HIS 349.A O no hydrogen 3.172 N/A LEU 356.A N ASP 352.A O no hydrogen 3.067 N/A THR 357.A N VAL 353.A O no hydrogen 3.018 N/A THR 357.A OG1 VAL 353.A O no hydrogen 3.201 N/A GLU 358.A N LYS 354.A O no hydrogen 3.098 N/A ALA 359.A N GLN 355.A O no hydrogen 2.950 N/A VAL 360.A N LEU 356.A O no hydrogen 2.814 N/A GLN 361.A N THR 357.A O no hydrogen 3.088 N/A GLN 361.A NE2 TYR 393.A O no hydrogen 3.614 N/A LYS 362.A N GLU 358.A O no hydrogen 3.037 N/A ILE 363.A N ALA 359.A O no hydrogen 3.047 N/A ILE 363.A N VAL 360.A O no hydrogen 3.239 N/A THR 364.A N VAL 360.A O no hydrogen 2.872 N/A THR 364.A OG1 VAL 360.A O no hydrogen 2.814 N/A THR 365.A N GLN 361.A O no hydrogen 2.802 N/A GLU 366.A N LYS 362.A O no hydrogen 3.300 N/A SER 367.A N THR 364.A O no hydrogen 3.215 N/A SER 367.A OG ILE 363.A O no hydrogen 3.293 N/A ILE 368.A N THR 364.A O no hydrogen 3.332 N/A VAL 369.A N THR 365.A O no hydrogen 2.939 N/A ILE 370.A N GLU 366.A O no hydrogen 3.134 N/A TRP 371.A N SER 367.A O no hydrogen 2.472 N/A GLY 372.A N SER 367.A O no hydrogen 2.691 N/A LYS 373.A NZ TYR 307.A OH no hydrogen 2.583 N/A LYS 373.A NZ LYS 311.A O no hydrogen 3.261 N/A LYS 376.A N LEU 313.A O no hydrogen 2.740 N/A LYS 376.A NZ GLU 403.A OE1 no hydrogen 3.083 N/A PHE 377.A N GLU 401.A O no hydrogen 2.719 N/A LYS 378.A N ALA 315.A O no hydrogen 2.925 N/A LYS 378.A NZ GLU 403.A OE1 no hydrogen 2.799 N/A LEU 379.A N GLU 403.A O no hydrogen 2.656 N/A ILE 381.A N LEU 379.A O no hydrogen 2.678 N/A LYS 383.A NZ GLU 387.A OE1 no hydrogen 2.665 N/A THR 385.A N GLN 382.A O no hydrogen 2.864 N/A TRP 386.A N GLN 382.A O no hydrogen 3.362 N/A GLU 387.A N LYS 383.A O no hydrogen 3.101 N/A THR 388.A N THR 385.A O no hydrogen 2.934 N/A THR 388.A OG1 THR 385.A O no hydrogen 2.954 N/A TRP 389.A N TRP 386.A O no hydrogen 3.215 N/A TRP 390.A N TRP 386.A O no hydrogen 3.228 N/A GLU 392.A N TRP 389.A O no hydrogen 2.640 N/A TYR 393.A N TRP 390.A O no hydrogen 2.638 N/A TRP 394.A NE1 TRP 398.A O no hydrogen 2.900 N/A THR 397.A OG1 ASP 186.A OD2 no hydrogen 3.435 N/A GLU 403.A N PHE 377.A O no hydrogen 2.748 N/A VAL 405.A N LEU 379.A O no hydrogen 3.055 N/A LYS 412.A N PRO 409.A O no hydrogen 3.329 N/A LEU 413.A N LEU 410.A O no hydrogen 2.908 N/A TRP 414.A N VAL 411.A O no hydrogen 3.454 N/A