Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a0h_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 14.A N ALA 11.A O no hydrogen 3.072 N/A ARG 15.A N GLY 12.A O no hydrogen 3.082 N/A ARG 15.A NH1 GLN 2.A O no hydrogen 3.100 N/A ARG 15.A NH1 GLU 3.A O no hydrogen 3.309 N/A LEU 16.A N ASN 13.A O no hydrogen 3.401 N/A ILE 17.A N ALA 14.A O no hydrogen 2.782 N/A LYS 22.A NZ ALA 107.A O no hydrogen 2.229 N/A VAL 28.A N LEU 24.A O no hydrogen 3.327 N/A ALA 29.A N GLY 25.A O no hydrogen 2.242 N/A HIS 30.A N ALA 26.A O no hydrogen 2.992 N/A ALA 31.A N HIS 27.A O no hydrogen 2.822 N/A ILE 34.A N HIS 30.A O no hydrogen 2.993 N/A PHE 36.A N GLY 32.A O no hydrogen 2.453 N/A TRP 37.A N LEU 33.A O no hydrogen 2.563 N/A GLY 39.A N VAL 35.A O no hydrogen 3.267 N/A ALA 40.A N PHE 36.A O no hydrogen 2.740 N/A MET 41.A N TRP 37.A O no hydrogen 2.917 N/A THR 42.A N ALA 38.A O no hydrogen 2.837 N/A THR 42.A OG1 ALA 38.A O no hydrogen 2.516 N/A PHE 44.A N ALA 40.A O no hydrogen 2.535 N/A GLU 45.A N MET 41.A O no hydrogen 2.440 N/A LEU 46.A N THR 42.A O no hydrogen 3.123 N/A ALA 47.A N LEU 43.A O no hydrogen 2.650 N/A HIS 48.A N GLU 45.A O no hydrogen 2.524 N/A HIS 48.A ND1 PHE 44.A O no hydrogen 2.474 N/A PHE 49.A N GLU 45.A O no hydrogen 2.907 N/A PHE 49.A N LEU 46.A O no hydrogen 2.964 N/A ILE 50.A N GLN 58.A OE1 no hydrogen 2.815 N/A TYR 56.A OH GLU 368.A OE2 no hydrogen 2.654 N/A GLU 57.A N PRO 54.A O no hydrogen 2.554 N/A GLN 58.A N MET 55.A O no hydrogen 3.440 N/A GLN 58.A NE2 ILE 50.A O no hydrogen 3.027 N/A GLN 58.A NE2 LYS 53.A O no hydrogen 2.535 N/A ILE 61.A N GLU 45.A OE2 no hydrogen 2.593 N/A LEU 62.A N GLU 45.A OE2 no hydrogen 3.013 N/A ILE 63.A N GLU 45.A OE1 no hydrogen 2.310 N/A HIS 65.A N LEU 62.A O no hydrogen 3.198 N/A HIS 65.A ND1 LEU 62.A O no hydrogen 3.004 N/A ILE 66.A N ILE 63.A O no hydrogen 3.037 N/A ALA 67.A N ILE 63.A O no hydrogen 3.458 N/A THR 68.A N PRO 64.A O no hydrogen 3.003 N/A THR 68.A OG1 PRO 64.A O no hydrogen 3.087 N/A THR 68.A OG1 HIS 65.A O no hydrogen 2.413 N/A LEU 69.A N ILE 66.A O no hydrogen 2.863 N/A GLY 70.A N ALA 67.A O no hydrogen 2.740 N/A TRP 71.A N ILE 66.A O no hydrogen 3.443 N/A VAL 87.A N PHE 83.A O no hydrogen 2.925 N/A VAL 88.A N PRO 84.A O no hydrogen 3.307 N/A VAL 90.A N PHE 86.A O no hydrogen 3.050 N/A VAL 91.A N VAL 87.A O no hydrogen 2.993 N/A HIS 92.A N VAL 88.A O no hydrogen 3.169 N/A LEU 93.A N GLY 89.A O no hydrogen 2.799 N/A ILE 94.A N VAL 90.A O no hydrogen 3.164 N/A SER 95.A N VAL 91.A O no hydrogen 2.504 N/A SER 96.A N HIS 92.A O no hydrogen 2.630 N/A SER 96.A N LEU 93.A O no hydrogen 2.781 N/A SER 96.A OG LEU 93.A O no hydrogen 3.023 N/A ALA 97.A N ILE 94.A O no hydrogen 2.932 N/A GLY 100.A N SER 96.A O no hydrogen 2.618 N/A PHE 101.A N ALA 97.A O no hydrogen 2.262 N/A GLY 102.A N VAL 98.A O no hydrogen 3.201 N/A GLY 103.A N LEU 99.A O no hydrogen 3.209 N/A VAL 104.A N GLY 100.A O no hydrogen 2.780 N/A TYR 105.A N GLY 102.A O no hydrogen 2.951 N/A HIS 106.A N GLY 102.A O no hydrogen 2.942 N/A ALA 107.A N GLY 103.A O no hydrogen 3.319 N/A ILE 108.A N TYR 105.A O no hydrogen 2.583 N/A ARG 109.A N TYR 105.A O no hydrogen 3.368 N/A SER 119.A OG TYR 117.A O no hydrogen 2.766 N/A PHE 120.A N SER 119.A OG no hydrogen 2.535 N/A GLY 122.A N PHE 120.A O no hydrogen 2.340 N/A ASN 129.A N ASP 127.A OD1 no hydrogen 3.155 N/A ASN 129.A ND2 THR 229.A OG1 no hydrogen 2.553 N/A LYS 130.A N ASP 127.A OD1 no hydrogen 2.804 N/A LYS 130.A NZ PHE 121.A O no hydrogen 3.452 N/A LYS 130.A NZ ASP 127.A OD2 no hydrogen 2.906 N/A THR 132.A OG1 HIS 225.A O no hydrogen 2.513 N/A THR 132.A OG1 THR 228.A O no hydrogen 3.033 N/A THR 133.A N ASN 129.A O no hydrogen 2.772 N/A THR 133.A OG1 ASN 129.A O no hydrogen 2.545 N/A ILE 134.A N LYS 130.A O no hydrogen 3.026 N/A LEU 135.A N MET 131.A O no hydrogen 3.223 N/A GLY 136.A N THR 132.A O no hydrogen 3.195 N/A PHE 137.A N THR 133.A O no hydrogen 3.067 N/A PHE 137.A N ILE 134.A O no hydrogen 2.533 N/A HIS 138.A N ILE 134.A O no hydrogen 3.303 N/A HIS 138.A ND1 ILE 134.A O no hydrogen 2.938 N/A LEU 139.A N GLY 136.A O no hydrogen 3.189 N/A ILE 140.A N GLY 136.A O no hydrogen 3.401 N/A VAL 141.A N PHE 137.A O no hydrogen 2.942 N/A LEU 142.A N HIS 138.A O no hydrogen 3.342 N/A ILE 144.A N ILE 140.A O no hydrogen 2.939 N/A GLY 145.A N LEU 142.A O no hydrogen 2.892 N/A ALA 146.A N LEU 142.A O no hydrogen 3.373 N/A LEU 147.A N GLY 143.A O no hydrogen 3.447 N/A LEU 149.A N GLY 145.A O no hydrogen 2.575 N/A VAL 150.A N ALA 146.A O no hydrogen 3.263 N/A ALA 151.A N LEU 147.A O no hydrogen 2.644 N/A LYS 152.A N LEU 148.A O no hydrogen 3.099 N/A LYS 152.A NZ LEU 69.A O no hydrogen 3.113 N/A LYS 152.A NZ GLY 158.A O no hydrogen 3.452 N/A ALA 153.A N LEU 149.A O no hydrogen 2.570 N/A MET 154.A N VAL 150.A O no hydrogen 2.452 N/A PHE 155.A N ALA 151.A O no hydrogen 2.243 N/A PHE 156.A N ALA 151.A O no hydrogen 2.920 N/A GLY 158.A N LYS 152.A O no hydrogen 2.567 N/A LEU 159.A N ARG 171.A O no hydrogen 2.689 N/A TYR 160.A N THR 68.A O no hydrogen 3.203 N/A TYR 160.A OH GLU 274.A OE2 no hydrogen 2.778 N/A ASP 161.A N ASP 169.A O no hydrogen 3.428 N/A ALA 164.A N ASP 161.A OD2 no hydrogen 2.663 N/A ASP 169.A N ASP 161.A O no hydrogen 3.327 N/A ARG 171.A N LEU 159.A O no hydrogen 2.690 N/A ARG 171.A NH2 GLU 205.A OE1 no hydrogen 2.421 N/A ILE 173.A N ALA 153.A O no hydrogen 2.793 N/A THR 177.A OG1 GLU 205.A O no hydrogen 3.219 N/A THR 177.A OG1 ASP 206.A OD1 no hydrogen 2.773 N/A PHE 184.A N PRO 180.A O no hydrogen 2.844 N/A LEU 187.A N PHE 184.A O no hydrogen 2.826 N/A LYS 189.A N TYR 186.A O no hydrogen 2.681 N/A SER 190.A OG GLU 195.A OE2 no hydrogen 2.934 N/A GLU 195.A N PHE 192.A O no hydrogen 3.072 N/A SER 200.A N GLY 196.A O no hydrogen 3.217 N/A ASN 203.A ND2 ASP 206.A OD2 no hydrogen 2.469 N/A VAL 208.A N LEU 204.A O no hydrogen 2.904 N/A GLY 210.A N ASP 206.A O no hydrogen 2.738 N/A HIS 211.A N VAL 207.A O no hydrogen 2.665 N/A HIS 211.A ND1 VAL 207.A O no hydrogen 3.181 N/A ILE 212.A N VAL 208.A O no hydrogen 3.063 N/A TRP 213.A NE1 LEU 178.A O no hydrogen 3.105 N/A ILE 214.A N GLY 210.A O no hydrogen 2.990 N/A ILE 214.A N HIS 211.A O no hydrogen 2.579 N/A GLY 215.A N HIS 211.A O no hydrogen 2.729 N/A LEU 216.A N ILE 212.A O no hydrogen 3.304 N/A ILE 217.A N TRP 213.A O no hydrogen 3.193 N/A CYS 218.A N ILE 214.A O no hydrogen 2.621 N/A CYS 218.A SG LEU 139.A O no hydrogen 2.728 N/A ILE 219.A N GLY 215.A O no hydrogen 2.725 N/A ALA 220.A N LEU 216.A O no hydrogen 2.776 N/A GLY 221.A N CYS 218.A O no hydrogen 3.072 N/A GLY 222.A N CYS 218.A O no hydrogen 3.357 N/A ILE 223.A N ILE 219.A O no hydrogen 2.907 N/A TRP 224.A N ALA 220.A O no hydrogen 3.308 N/A HIS 225.A N GLY 221.A O no hydrogen 2.828 N/A ILE 226.A N GLY 222.A O no hydrogen 3.095 N/A LEU 227.A N TRP 224.A O no hydrogen 2.975 N/A THR 228.A N TRP 224.A O no hydrogen 3.269 N/A THR 228.A N HIS 225.A O no hydrogen 3.198 N/A THR 228.A OG1 TRP 224.A O no hydrogen 3.137 N/A ARG 235.A N PHE 231.A O no hydrogen 3.277 N/A ARG 236.A N GLY 232.A O no hydrogen 3.210 N/A ALA 237.A N TRP 233.A O no hydrogen 2.994 N/A PHE 238.A N ALA 234.A O no hydrogen 3.068 N/A TRP 240.A NE1 ARG 235.A O no hydrogen 3.137 N/A TYR 245.A N SER 241.A O no hydrogen 2.857 N/A TYR 245.A N GLY 242.A O no hydrogen 3.069 N/A LEU 246.A N GLY 242.A O no hydrogen 3.312 N/A SER 247.A N GLU 243.A O no hydrogen 2.799 N/A TYR 248.A N ALA 244.A O no hydrogen 3.033 N/A TYR 248.A OH ILE 239.A O no hydrogen 2.623 N/A SER 249.A OG TYR 245.A O no hydrogen 3.121 N/A LEU 250.A N LEU 246.A O no hydrogen 2.639 N/A GLY 251.A N TYR 248.A O no hydrogen 2.492 N/A ALA 252.A N SER 249.A O no hydrogen 3.231 N/A LEU 253.A N LEU 250.A O no hydrogen 3.203 N/A SER 254.A N LEU 250.A O no hydrogen 3.350 N/A SER 254.A OG ALA 408.A O no hydrogen 2.588 N/A MET 256.A N ALA 252.A O no hydrogen 3.078 N/A GLY 257.A N LEU 253.A O no hydrogen 2.513 N/A PHE 258.A N SER 254.A O no hydrogen 3.217 N/A ILE 259.A N MET 255.A O no hydrogen 2.934 N/A ALA 260.A N GLY 257.A O no hydrogen 2.982 N/A THR 261.A N GLY 257.A O no hydrogen 2.778 N/A THR 261.A OG1 GLY 257.A O no hydrogen 3.446 N/A THR 261.A OG1 ALA 401.A O no hydrogen 2.643 N/A CYS 262.A N PHE 258.A O no hydrogen 2.622 N/A PHE 263.A N ALA 260.A O no hydrogen 2.344 N/A VAL 264.A N ALA 260.A O no hydrogen 2.707 N/A PHE 266.A N PHE 263.A O no hydrogen 3.188 N/A ASN 267.A N PHE 263.A O no hydrogen 3.078 N/A THR 269.A N ASN 267.A OD1 no hydrogen 2.728 N/A THR 269.A OG1 VAL 201.A O no hydrogen 2.777 N/A THR 269.A OG1 ASN 202.A O no hydrogen 2.563 N/A SER 273.A OG GLY 277.A O no hydrogen 2.683 N/A SER 273.A OG GLU 282.A OE1 no hydrogen 3.321 N/A THR 279.A N GLU 282.A OE1 no hydrogen 3.119 N/A THR 279.A OG1 TRP 265.A O no hydrogen 2.512 N/A ALA 283.A N THR 279.A O no hydrogen 3.064 N/A GLN 285.A N GLU 282.A O no hydrogen 2.992 N/A ALA 286.A N GLU 282.A O no hydrogen 2.577 N/A GLN 287.A N ALA 283.A O no hydrogen 2.909 N/A MET 289.A N GLN 285.A O no hydrogen 2.921 N/A THR 290.A N ALA 286.A O no hydrogen 2.881 N/A THR 290.A OG1 ALA 286.A O no hydrogen 3.072 N/A PHE 291.A N GLN 287.A O no hydrogen 3.038 N/A LEU 292.A N ALA 288.A O no hydrogen 2.804 N/A ILE 293.A N MET 289.A O no hydrogen 3.213 N/A ARG 294.A N THR 290.A O no hydrogen 2.888 N/A ARG 294.A NE ASP 295.A OD2 no hydrogen 2.837 N/A ARG 294.A NH2 ASP 295.A OD2 no hydrogen 3.435 N/A ASP 295.A N PHE 291.A O no hydrogen 3.273 N/A GLN 296.A N LEU 292.A O no hydrogen 3.193 N/A GLN 296.A NE2 ILE 354.A O no hydrogen 3.409 N/A LYS 297.A N ILE 293.A O no hydrogen 2.644 N/A LYS 297.A NZ GLU 363.A OE2 no hydrogen 3.570 N/A GLY 299.A N GLN 296.A O no hydrogen 3.144 N/A ALA 300.A N ASP 295.A O no hydrogen 2.991 N/A SER 304.A OG SER 304.A O no hydrogen 2.544 N/A ALA 305.A N VAL 302.A O no hydrogen 2.833 N/A TYR 314.A OH ASP 295.A OD1 no hydrogen 2.733 N/A MET 316.A N ILE 324.A O no hydrogen 3.024 N/A ARG 317.A NH1 GLU 322.A O no hydrogen 3.451 N/A SER 318.A N GLU 322.A O no hydrogen 3.326 N/A ILE 324.A N MET 316.A O no hydrogen 3.458 N/A GLY 326.A N TYR 314.A O no hydrogen 3.339 N/A PHE 332.A N THR 329.A O no hydrogen 2.791 N/A TRP 333.A N MET 330.A O no hydrogen 2.779 N/A PHE 335.A N PHE 332.A O no hydrogen 2.927 N/A ARG 336.A NE GLU 341.A OE1 no hydrogen 2.484 N/A TRP 339.A NE1 GLU 282.A OE2 no hydrogen 2.711 N/A LEU 340.A N GLY 337.A O no hydrogen 3.194 N/A GLU 341.A N GLY 337.A O no hydrogen 3.211 N/A ARG 344.A N PRO 342.A O no hydrogen 2.620 N/A ARG 344.A NE GLU 341.A OE1 no hydrogen 3.196 N/A ARG 344.A NH2 GLU 341.A OE1 no hydrogen 3.449 N/A ARG 344.A NH2 GLU 341.A OE2 no hydrogen 2.469 N/A LEU 349.A N ILE 323.A O no hydrogen 3.178 N/A LYS 353.A N ASP 350.A OD1 no hydrogen 2.513 N/A ILE 354.A N ASP 350.A O no hydrogen 2.820 N/A LYS 355.A N LEU 351.A O no hydrogen 2.927 N/A ASN 356.A N ASN 352.A O no hydrogen 3.250 N/A ASN 356.A N LYS 353.A O no hydrogen 2.664 N/A ASP 357.A N LYS 353.A O no hydrogen 2.824 N/A GLN 359.A N GLN 362.A OE1 no hydrogen 2.714 N/A GLN 362.A N GLN 359.A O no hydrogen 3.436 N/A ARG 364.A N PRO 360.A O no hydrogen 3.434 N/A ALA 366.A N GLN 362.A O no hydrogen 2.577 N/A ALA 367.A N GLU 363.A O no hydrogen 3.060 N/A GLU 368.A N ARG 364.A O no hydrogen 3.188 N/A TYR 369.A N ARG 365.A O no hydrogen 3.049 N/A MET 370.A N ALA 366.A O no hydrogen 2.986 N/A THR 371.A N ALA 367.A O no hydrogen 3.034 N/A THR 371.A OG1 GLU 368.A O no hydrogen 2.773 N/A HIS 372.A N GLU 368.A O no hydrogen 2.816 N/A HIS 372.A ND1 GLU 368.A O no hydrogen 2.843 N/A LEU 375.A N ALA 373.A O no hydrogen 2.522 N/A SER 380.A N SER 377.A O no hydrogen 2.340 N/A SER 380.A OG LEU 378.A O no hydrogen 3.272 N/A VAL 381.A N SER 377.A OG no hydrogen 3.214 N/A GLY 383.A N LEU 375.A O no hydrogen 2.481 N/A ILE 388.A N GLU 387.A OE1 no hydrogen 3.274 N/A ARG 397.A N SER 395.A OG no hydrogen 2.787 N/A ARG 397.A NE GLY 277.A O no hydrogen 2.554 N/A ARG 397.A NH1 VAL 264.A O no hydrogen 2.687 N/A ARG 397.A NH2 ASN 267.A O no hydrogen 3.205 N/A ARG 397.A NH2 TYR 271.A O no hydrogen 2.738 N/A ARG 397.A NH2 SER 273.A OG no hydrogen 2.952 N/A ARG 397.A NH2 GLY 277.A O no hydrogen 3.465 N/A TRP 399.A N SER 395.A O no hydrogen 3.356 N/A LEU 400.A N PRO 396.A O no hydrogen 2.782 N/A ALA 401.A N ARG 397.A O no hydrogen 2.818 N/A THR 402.A N SER 398.A O no hydrogen 2.789 N/A SER 403.A N TRP 399.A O no hydrogen 2.953 N/A SER 403.A OG TRP 399.A O no hydrogen 2.853 N/A SER 403.A OG LEU 400.A O no hydrogen 2.746 N/A SER 403.A OG HIS 404.A ND1 no hydrogen 2.678 N/A HIS 404.A N LEU 400.A O no hydrogen 3.376 N/A HIS 404.A N SER 403.A OG no hydrogen 2.593 N/A HIS 404.A ND1 SER 403.A OG no hydrogen 2.678 N/A PHE 405.A N THR 402.A O no hydrogen 2.726 N/A VAL 406.A N THR 402.A O no hydrogen 3.335 N/A LEU 407.A N SER 403.A O no hydrogen 2.994 N/A ALA 408.A N HIS 404.A O no hydrogen 2.634 N/A PHE 409.A N PHE 405.A O no hydrogen 2.526 N/A PHE 410.A N VAL 406.A O no hydrogen 2.942 N/A PHE 411.A N LEU 407.A O no hydrogen 2.660 N/A LEU 412.A N ALA 408.A O no hydrogen 3.099 N/A VAL 413.A N PHE 409.A O no hydrogen 3.152 N/A GLY 414.A N PHE 410.A O no hydrogen 2.875 N/A HIS 415.A N PHE 411.A O no hydrogen 2.677 N/A LEU 416.A N LEU 412.A O no hydrogen 3.234 N/A LEU 416.A N VAL 413.A O no hydrogen 3.230 N/A TRP 417.A N VAL 413.A O no hydrogen 3.074 N/A HIS 418.A N GLY 414.A O no hydrogen 2.943 N/A ALA 419.A N LEU 416.A O no hydrogen 2.719 N/A GLY 420.A N LEU 416.A O no hydrogen 2.561 N/A ARG 421.A N TRP 417.A O no hydrogen 3.442 N/A ALA 422.A N HIS 418.A O no hydrogen 3.317 N/A ARG 423.A N ALA 419.A O no hydrogen 2.786 N/A ALA 425.A N ALA 422.A O no hydrogen 3.166 N/A ALA 427.A N ALA 424.A O no hydrogen 3.095 N/A GLY 428.A N ALA 424.A O no hydrogen 2.912 N/A GLU 436.A N ASP 434.A OD1 no hydrogen 2.891 N/A SER 437.A N ASP 434.A O no hydrogen 2.996 N/A