Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a0b_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 SER 5.A OG no hydrogen 3.027 N/A GLY 12.A N TRP 9.A O no hydrogen 2.272 N/A ARG 15.A NH2 SER 5.A O no hydrogen 3.192 N/A SER 20.A OG LEU 19.A O no hydrogen 2.335 N/A GLY 21.A N GLU 112.A O no hydrogen 2.720 N/A LYS 22.A NZ GLU 112.A OE1 no hydrogen 2.534 N/A LYS 22.A NZ GLU 112.A OE2 no hydrogen 2.840 N/A GLY 25.A N GLY 21.A O no hydrogen 2.914 N/A ALA 26.A N LEU 23.A O no hydrogen 2.988 N/A HIS 27.A N LEU 23.A O no hydrogen 2.961 N/A HIS 27.A N LEU 24.A O no hydrogen 3.033 N/A VAL 28.A N LEU 24.A O no hydrogen 3.014 N/A HIS 30.A N ALA 26.A O no hydrogen 3.008 N/A ALA 31.A N HIS 27.A O no hydrogen 2.975 N/A GLY 32.A N ALA 29.A O no hydrogen 2.735 N/A LEU 33.A N ALA 29.A O no hydrogen 3.205 N/A ILE 34.A N HIS 30.A O no hydrogen 3.051 N/A PHE 36.A N GLY 32.A O no hydrogen 3.057 N/A TRP 37.A N LEU 33.A O no hydrogen 3.222 N/A ALA 38.A N ILE 34.A O no hydrogen 3.136 N/A GLY 39.A N VAL 35.A O no hydrogen 3.196 N/A ALA 40.A N PHE 36.A O no hydrogen 2.525 N/A MET 41.A N TRP 37.A O no hydrogen 3.005 N/A THR 42.A OG1 ALA 38.A O no hydrogen 2.443 N/A LEU 43.A N GLY 39.A O no hydrogen 3.156 N/A PHE 44.A N MET 41.A O no hydrogen 2.722 N/A GLU 45.A N THR 42.A O no hydrogen 2.611 N/A LEU 46.A N THR 42.A O no hydrogen 3.216 N/A HIS 48.A N GLU 45.A O no hydrogen 2.489 N/A PHE 49.A N GLU 45.A O no hydrogen 2.777 N/A ILE 50.A N GLN 58.A OE1 no hydrogen 2.672 N/A TYR 56.A OH GLU 368.A OE2 no hydrogen 3.334 N/A GLU 57.A N PRO 54.A O no hydrogen 2.843 N/A LEU 60.A N GLN 58.A O no hydrogen 2.517 N/A ILE 61.A N GLU 45.A OE1 no hydrogen 3.298 N/A ILE 63.A N GLU 45.A OE1 no hydrogen 3.211 N/A HIS 65.A N LEU 62.A O no hydrogen 2.952 N/A HIS 65.A ND1 ILE 61.A O no hydrogen 2.991 N/A ILE 66.A N LEU 62.A O no hydrogen 3.128 N/A ALA 67.A N ILE 63.A O no hydrogen 2.919 N/A THR 68.A OG1 HIS 65.A O no hydrogen 2.639 N/A GLY 77.A N GLY 74.A O no hydrogen 2.385 N/A VAL 80.A N GLY 72.A O no hydrogen 2.942 N/A PHE 83.A N ASP 81.A OD1 no hydrogen 2.717 N/A VAL 87.A N PHE 83.A O no hydrogen 3.099 N/A GLY 89.A N PHE 85.A O no hydrogen 3.190 N/A VAL 90.A N PHE 86.A O no hydrogen 3.092 N/A VAL 91.A N VAL 87.A O no hydrogen 3.019 N/A LEU 93.A N GLY 89.A O no hydrogen 3.087 N/A ILE 94.A N VAL 90.A O no hydrogen 2.664 N/A SER 96.A N HIS 92.A O no hydrogen 2.431 N/A SER 96.A N LEU 93.A O no hydrogen 3.259 N/A ALA 97.A N ILE 94.A O no hydrogen 2.844 N/A LEU 99.A N SER 95.A O no hydrogen 3.280 N/A GLY 100.A N ALA 97.A O no hydrogen 2.682 N/A PHE 101.A N ALA 97.A O no hydrogen 2.329 N/A GLY 103.A N GLY 100.A O no hydrogen 2.439 N/A VAL 104.A N GLY 100.A O no hydrogen 3.322 N/A VAL 104.A N PHE 101.A O no hydrogen 2.885 N/A TYR 105.A N GLY 102.A O no hydrogen 3.156 N/A ILE 108.A N TYR 105.A O no hydrogen 2.990 N/A ARG 109.A N TYR 105.A O no hydrogen 3.226 N/A GLY 110.A N TYR 105.A O no hydrogen 2.901 N/A ASP 127.A N ASP 124.A O no hydrogen 2.830 N/A LYS 130.A N ASP 127.A OD1 no hydrogen 2.930 N/A LYS 130.A NZ PHE 120.A O no hydrogen 2.733 N/A LYS 130.A NZ GLY 122.A O no hydrogen 2.556 N/A THR 132.A N LYS 128.A O no hydrogen 3.119 N/A THR 132.A OG1 LYS 128.A O no hydrogen 2.820 N/A THR 133.A N ASN 129.A O no hydrogen 2.463 N/A THR 133.A N LYS 130.A O no hydrogen 3.061 N/A THR 133.A OG1 ASN 129.A O no hydrogen 2.441 N/A ILE 134.A N LYS 130.A O no hydrogen 3.014 N/A LEU 135.A N MET 131.A O no hydrogen 3.312 N/A PHE 137.A N THR 133.A O no hydrogen 3.436 N/A HIS 138.A N ILE 134.A O no hydrogen 3.044 N/A HIS 138.A ND1 ILE 134.A O no hydrogen 3.081 N/A LEU 139.A N LEU 135.A O no hydrogen 2.799 N/A ILE 140.A N GLY 136.A O no hydrogen 2.635 N/A VAL 141.A N PHE 137.A O no hydrogen 2.972 N/A LEU 142.A N HIS 138.A O no hydrogen 3.135 N/A LEU 142.A N LEU 139.A O no hydrogen 3.009 N/A GLY 143.A N LEU 139.A O no hydrogen 2.964 N/A ILE 144.A N ILE 140.A O no hydrogen 3.134 N/A ALA 146.A N LEU 142.A O no hydrogen 2.718 N/A LEU 147.A N ILE 144.A O no hydrogen 2.651 N/A LEU 148.A N GLY 145.A O no hydrogen 2.607 N/A ALA 151.A N LEU 147.A O no hydrogen 2.879 N/A LYS 152.A N LEU 149.A O no hydrogen 2.499 N/A LYS 152.A NZ GLY 157.A O no hydrogen 2.692 N/A ALA 153.A N LEU 149.A O no hydrogen 2.512 N/A MET 154.A N VAL 150.A O no hydrogen 2.808 N/A PHE 156.A N ALA 151.A O no hydrogen 2.794 N/A TYR 160.A N THR 68.A O no hydrogen 2.673 N/A TYR 160.A OH GLY 76.A O no hydrogen 3.071 N/A TYR 160.A OH GLU 274.A OE1 no hydrogen 2.414 N/A THR 162.A OG1 GLU 274.A OE1 no hydrogen 2.752 N/A THR 162.A OG1 GLU 274.A OE2 no hydrogen 3.041 N/A ASP 169.A N ASP 161.A O no hydrogen 3.147 N/A THR 177.A N GLU 205.A O no hydrogen 3.444 N/A ILE 183.A N ASP 179.A O no hydrogen 3.363 N/A PHE 184.A N PRO 180.A O no hydrogen 2.897 N/A GLY 185.A N VAL 182.A O no hydrogen 3.262 N/A TYR 186.A N VAL 182.A O no hydrogen 3.242 N/A LYS 189.A N TYR 186.A O no hydrogen 2.945 N/A SER 200.A OG GLY 196.A O no hydrogen 2.614 N/A SER 200.A OG SER 200.A O no hydrogen 2.664 N/A GLU 205.A N ASN 203.A OD1 no hydrogen 3.274 N/A ASP 206.A N ASN 203.A OD1 no hydrogen 2.767 N/A VAL 208.A N LEU 204.A O no hydrogen 3.451 N/A GLY 209.A N GLU 205.A O no hydrogen 2.585 N/A GLY 210.A N VAL 207.A O no hydrogen 2.855 N/A HIS 211.A N VAL 207.A O no hydrogen 2.434 N/A ILE 212.A N VAL 208.A O no hydrogen 3.137 N/A ILE 214.A N GLY 210.A O no hydrogen 3.220 N/A ILE 214.A N HIS 211.A O no hydrogen 3.232 N/A GLY 215.A N HIS 211.A O no hydrogen 2.921 N/A ILE 217.A N TRP 213.A O no hydrogen 3.450 N/A CYS 218.A N ILE 214.A O no hydrogen 3.138 N/A CYS 218.A SG ILE 214.A O no hydrogen 2.715 N/A ALA 220.A N LEU 216.A O no hydrogen 2.589 N/A GLY 221.A N CYS 218.A O no hydrogen 3.223 N/A GLY 222.A N ILE 219.A O no hydrogen 2.862 N/A ILE 223.A N ILE 219.A O no hydrogen 3.443 N/A TRP 224.A N GLY 221.A O no hydrogen 2.889 N/A HIS 225.A N GLY 221.A O no hydrogen 2.843 N/A ILE 226.A N GLY 222.A O no hydrogen 2.846 N/A THR 228.A N HIS 225.A O no hydrogen 3.278 N/A ARG 236.A N TRP 233.A O no hydrogen 3.072 N/A TRP 240.A NE1 ARG 235.A O no hydrogen 2.897 N/A TYR 245.A N SER 241.A O no hydrogen 3.226 N/A LEU 246.A N GLU 243.A O no hydrogen 2.586 N/A SER 247.A N GLU 243.A O no hydrogen 3.400 N/A SER 247.A OG ALA 244.A O no hydrogen 2.457 N/A TYR 248.A N ALA 244.A O no hydrogen 2.776 N/A SER 249.A N TYR 245.A O no hydrogen 3.116 N/A LEU 250.A N SER 247.A O no hydrogen 2.378 N/A GLY 251.A N SER 247.A O no hydrogen 3.019 N/A SER 254.A N LEU 250.A O no hydrogen 3.384 N/A SER 254.A OG ALA 408.A O no hydrogen 2.331 N/A MET 256.A N ALA 252.A O no hydrogen 3.025 N/A GLY 257.A N LEU 253.A O no hydrogen 2.670 N/A PHE 258.A N SER 254.A O no hydrogen 3.246 N/A ILE 259.A N MET 255.A O no hydrogen 2.987 N/A ALA 260.A N GLY 257.A O no hydrogen 2.970 N/A THR 261.A N GLY 257.A O no hydrogen 2.526 N/A THR 261.A OG1 GLY 257.A O no hydrogen 3.272 N/A THR 261.A OG1 ALA 401.A O no hydrogen 2.922 N/A CYS 262.A N PHE 258.A O no hydrogen 3.112 N/A CYS 262.A SG PHE 258.A O no hydrogen 3.351 N/A TRP 265.A N THR 261.A O no hydrogen 3.323 N/A PHE 266.A N CYS 262.A O no hydrogen 2.906 N/A ASN 268.A ND2 GLU 282.A OE2 no hydrogen 3.257 N/A ASN 268.A ND2 ARG 336.A O no hydrogen 2.953 N/A THR 269.A OG1 VAL 201.A O no hydrogen 2.980 N/A THR 269.A OG1 ASN 267.A OD1 no hydrogen 2.789 N/A SER 273.A OG ASN 268.A OD1 no hydrogen 3.056 N/A SER 273.A OG GLU 282.A OE1 no hydrogen 2.799 N/A SER 273.A OG GLU 282.A OE2 no hydrogen 3.473 N/A GLU 274.A N GLU 274.A OE2 no hydrogen 2.887 N/A PHE 275.A N PRO 272.A O no hydrogen 3.281 N/A TYR 276.A N PRO 272.A O no hydrogen 3.190 N/A TYR 276.A OH HIS 65.A ND1 no hydrogen 3.080 N/A THR 279.A OG1 TRP 265.A O no hydrogen 2.661 N/A THR 279.A OG1 PHE 266.A O no hydrogen 3.247 N/A ALA 283.A N THR 279.A O no hydrogen 2.978 N/A ALA 283.A N GLY 280.A O no hydrogen 2.546 N/A SER 284.A N GLY 280.A O no hydrogen 3.241 N/A GLN 285.A N PRO 281.A O no hydrogen 3.060 N/A ALA 286.A N GLU 282.A O no hydrogen 3.013 N/A GLN 287.A N ALA 283.A O no hydrogen 3.177 N/A MET 289.A N GLN 285.A O no hydrogen 2.918 N/A THR 290.A N ALA 286.A O no hydrogen 2.822 N/A THR 290.A OG1 ALA 286.A O no hydrogen 2.828 N/A THR 290.A OG1 ALA 366.A O no hydrogen 3.103 N/A PHE 291.A N GLN 287.A O no hydrogen 3.090 N/A LEU 292.A N ALA 288.A O no hydrogen 2.646 N/A LEU 292.A N MET 289.A O no hydrogen 3.287 N/A ILE 293.A N MET 289.A O no hydrogen 2.947 N/A ARG 294.A N THR 290.A O no hydrogen 2.572 N/A ARG 294.A NE ASP 295.A OD2 no hydrogen 2.751 N/A ASP 295.A N PHE 291.A O no hydrogen 3.277 N/A GLN 296.A N LEU 292.A O no hydrogen 2.781 N/A GLN 296.A NE2 ILE 354.A O no hydrogen 3.117 N/A LYS 297.A N ILE 293.A O no hydrogen 3.152 N/A LYS 297.A NZ GLU 363.A OE2 no hydrogen 3.007 N/A GLY 299.A N GLN 296.A O no hydrogen 2.900 N/A ALA 300.A N ASP 295.A O no hydrogen 3.373 N/A ALA 305.A N ASN 301.A O no hydrogen 2.740 N/A LEU 311.A N THR 309.A OG1 no hydrogen 2.844 N/A LYS 313.A N ALA 305.A O no hydrogen 3.284 N/A TYR 314.A OH ASP 295.A OD1 no hydrogen 2.486 N/A MET 316.A N ILE 324.A O no hydrogen 3.073 N/A THR 320.A N SER 318.A OG no hydrogen 3.051 N/A GLY 321.A N SER 318.A O no hydrogen 2.406 N/A GLU 322.A N SER 318.A OG no hydrogen 3.129 N/A ILE 323.A N ASN 347.A O no hydrogen 2.939 N/A ILE 324.A N MET 316.A O no hydrogen 3.030 N/A GLY 326.A N TYR 314.A O no hydrogen 2.582 N/A THR 329.A OG1 GLY 326.A O no hydrogen 3.333 N/A ARG 331.A N GLU 328.A O no hydrogen 2.775 N/A PHE 332.A N THR 329.A O no hydrogen 2.865 N/A ARG 336.A NE GLU 341.A OE1 no hydrogen 2.880 N/A ARG 336.A NH2 GLU 341.A OE1 no hydrogen 3.155 N/A GLY 337.A N GLU 341.A OE2 no hydrogen 2.805 N/A LEU 340.A N GLY 337.A O no hydrogen 3.340 N/A GLU 341.A N GLY 337.A O no hydrogen 3.054 N/A ARG 344.A NE GLU 341.A OE1 no hydrogen 3.284 N/A GLY 345.A N GLY 348.A O no hydrogen 3.108 N/A LEU 349.A N ILE 323.A O no hydrogen 3.330 N/A ASN 352.A N ASP 350.A OD1 no hydrogen 2.619 N/A ASN 352.A ND2 ASP 350.A OD1 no hydrogen 3.224 N/A LYS 353.A N ASP 350.A OD1 no hydrogen 3.371 N/A ILE 354.A N ASP 350.A O no hydrogen 2.680 N/A LYS 355.A N ASN 352.A O no hydrogen 2.700 N/A ASN 356.A N ASN 352.A O no hydrogen 3.308 N/A GLN 359.A N ASP 357.A O no hydrogen 2.474 N/A GLU 363.A N PRO 360.A O no hydrogen 3.266 N/A ARG 364.A N TRP 361.A O no hydrogen 2.861 N/A ARG 365.A N TRP 361.A O no hydrogen 3.133 N/A ALA 366.A N GLN 362.A O no hydrogen 2.682 N/A ALA 367.A N ARG 364.A O no hydrogen 2.662 N/A GLU 368.A N ARG 364.A O no hydrogen 2.703 N/A TYR 369.A N ARG 365.A O no hydrogen 3.170 N/A MET 370.A N ALA 367.A O no hydrogen 2.506 N/A THR 371.A N ALA 367.A O no hydrogen 3.111 N/A THR 371.A OG1 GLU 368.A O no hydrogen 2.751 N/A THR 371.A OG1 HIS 372.A ND1 no hydrogen 2.865 N/A HIS 372.A N GLU 368.A O no hydrogen 2.858 N/A LEU 375.A N ALA 373.A O no hydrogen 2.333 N/A SER 377.A OG VAL 381.A O no hydrogen 2.857 N/A ILE 388.A N GLU 387.A OE1 no hydrogen 3.160 N/A ARG 397.A NE VAL 264.A O no hydrogen 3.151 N/A ARG 397.A NH1 TYR 271.A O no hydrogen 2.783 N/A ARG 397.A NH1 GLY 277.A O no hydrogen 2.612 N/A ARG 397.A NH2 VAL 264.A O no hydrogen 2.960 N/A ARG 397.A NH2 TYR 271.A O no hydrogen 3.401 N/A SER 398.A N SER 395.A O no hydrogen 3.209 N/A SER 398.A N SER 395.A OG no hydrogen 2.920 N/A TRP 399.A N SER 395.A O no hydrogen 3.022 N/A LEU 400.A N PRO 396.A O no hydrogen 2.669 N/A ALA 401.A N ARG 397.A O no hydrogen 3.353 N/A THR 402.A N SER 398.A O no hydrogen 3.116 N/A SER 403.A N TRP 399.A O no hydrogen 3.128 N/A SER 403.A OG TRP 399.A O no hydrogen 2.615 N/A SER 403.A OG LEU 400.A O no hydrogen 2.834 N/A SER 403.A OG HIS 404.A ND1 no hydrogen 3.410 N/A PHE 405.A N ALA 401.A O no hydrogen 3.392 N/A VAL 406.A N THR 402.A O no hydrogen 3.229 N/A LEU 407.A N SER 403.A O no hydrogen 3.256 N/A ALA 408.A N HIS 404.A O no hydrogen 2.555 N/A PHE 409.A N PHE 405.A O no hydrogen 2.546 N/A PHE 410.A N VAL 406.A O no hydrogen 3.155 N/A PHE 411.A N LEU 407.A O no hydrogen 2.968 N/A LEU 412.A N ALA 408.A O no hydrogen 3.416 N/A LEU 412.A N PHE 409.A O no hydrogen 2.402 N/A HIS 415.A N PHE 411.A O no hydrogen 2.636 N/A LEU 416.A N LEU 412.A O no hydrogen 3.245 N/A TRP 417.A N VAL 413.A O no hydrogen 3.180 N/A HIS 418.A N GLY 414.A O no hydrogen 3.408 N/A ALA 419.A N HIS 415.A O no hydrogen 2.955 N/A GLY 420.A N LEU 416.A O no hydrogen 2.895 N/A ARG 421.A N TRP 417.A O no hydrogen 3.303 N/A ALA 422.A N HIS 418.A O no hydrogen 2.628 N/A ALA 424.A N ARG 421.A O no hydrogen 2.454 N/A GLY 428.A N ALA 425.A O no hydrogen 2.702 N/A PHE 429.A N ALA 424.A O no hydrogen 2.761 N/A GLU 430.A N ALA 424.A O no hydrogen 3.349 N/A LEU 441.A N GLU 438.A O no hydrogen 2.588 N/A SER 442.A OG PRO 439.A O no hydrogen 3.290 N/A SER 445.A N MET 443.A O no hydrogen 2.583 N/A SER 445.A OG MET 443.A O no hydrogen 3.546 N/A