Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w3a_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASN 17.A OD1 no hydrogen 2.626 N/A THR 3.A OG1 ALA 63.A O no hydrogen 3.194 N/A LEU 12.A N SER 9.A O no hydrogen 2.794 N/A LEU 13.A N ILE 51.A O no hydrogen 2.944 N/A PHE 14.A N TYR 7.A O no hydrogen 3.303 N/A GLY 24.A N VAL 41.A O no hydrogen 3.119 N/A VAL 27.A N GLY 39.A O no hydrogen 3.135 N/A ASP 28.A N SER 68.A O no hydrogen 3.233 N/A LYS 30.A N SER 66.A O no hydrogen 2.907 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 3.554 N/A THR 33.A OG1 ASP 31.A OD2 no hydrogen 3.294 N/A ARG 35.A N THR 33.A OG1 no hydrogen 3.172 N/A ARG 35.A NH2 GLU 55.A OE2 no hydrogen 3.108 N/A ARG 37.A N ILE 29.A O no hydrogen 3.300 N/A ARG 37.A NH1 THR 58.A O no hydrogen 2.355 N/A GLN 40.A N GLN 52.A O no hydrogen 2.855 N/A VAL 41.A N ALA 25.A O no hydrogen 2.284 N/A ILE 42.A N VAL 50.A O no hydrogen 2.224 N/A SER 45.A OG TYR 48.A O no hydrogen 2.787 N/A ALA 49.A N VAL 15.A O no hydrogen 2.649 N/A VAL 50.A N ILE 42.A O no hydrogen 2.527 N/A ILE 51.A N LEU 13.A O no hydrogen 2.792 N/A GLN 52.A NE2 VAL 53.A O no hydrogen 2.555 N/A VAL 53.A N PRO 11.A O no hydrogen 2.340 N/A THR 57.A OG1 GLY 10.A O no hydrogen 2.700 N/A THR 64.A OG1 ASP 31.A O no hydrogen 2.646 N/A THR 64.A OG1 ASP 61.A OD1 no hydrogen 2.821 N/A SER 68.A N ASP 28.A O no hydrogen 2.769 N/A SER 68.A OG ASP 28.A O no hydrogen 3.166 N/A SER 79.A OG GLU 103.A OE2 no hydrogen 2.767 N/A LYS 80.A NZ GLU 103.A OE2 no hydrogen 3.147 N/A ARG 86.A N ASP 95.A OD2 no hydrogen 2.719 N/A PHE 87.A N LEU 213.A O no hydrogen 3.116 N/A ASN 88.A ND2 LEU 215.A O no hydrogen 3.299 N/A ASN 88.A ND2 ASP 220.A OD1 no hydrogen 2.657 N/A ILE 90.A N GLU 224.A OE1 no hydrogen 2.573 N/A GLY 91.A N ASN 88.A O no hydrogen 2.394 N/A ILE 94.A N ARG 86.A O no hydrogen 3.394 N/A LEU 97.A N ASP 95.A OD1 no hydrogen 2.577 N/A GLU 103.A N VAL 78.A O no hydrogen 2.480 N/A VAL 116.A N ASN 114.A OD1 no hydrogen 2.670 N/A ALA 117.A N ASN 114.A O no hydrogen 2.628 N/A ARG 118.A N ASN 114.A O no hydrogen 3.438 N/A ARG 119.A N VAL 294.A O no hydrogen 2.607 N/A ARG 119.A NH1 LYS 120.A O no hydrogen 3.311 N/A THR 127.A OG1 ASP 133.A OD2 no hydrogen 2.355 N/A ILE 129.A N ASP 133.A OD2 no hydrogen 3.234 N/A SER 130.A OG SER 429.A O no hydrogen 3.549 N/A ASP 133.A N SER 130.A O no hydrogen 2.620 N/A VAL 134.A N SER 130.A O no hydrogen 2.760 N/A THR 137.A OG1 ASP 133.A O no hydrogen 2.483 N/A ARG 140.A N GLN 123.A O no hydrogen 3.177 N/A GLY 141.A N THR 303.A OG1 no hydrogen 2.977 N/A GLN 142.A N VAL 139.A O no hydrogen 2.742 N/A GLN 142.A NE2 GLU 328.A O no hydrogen 2.779 N/A LYS 143.A NZ TYR 289.A O no hydrogen 2.744 N/A LEU 144.A N GLN 304.A O no hydrogen 2.896 N/A SER 148.A N LEU 308.A O no hydrogen 2.829 N/A SER 148.A OG LEU 308.A O no hydrogen 2.245 N/A SER 150.A OG SER 150.A O no hydrogen 2.156 N/A GLY 151.A N GLY 149.A O no hydrogen 2.613 N/A LEU 152.A N GLY 149.A O no hydrogen 3.005 N/A ILE 157.A N PRO 153.A O no hydrogen 2.740 N/A ALA 158.A N ALA 154.A O no hydrogen 2.676 N/A GLN 160.A N GLU 156.A O no hydrogen 2.821 N/A GLN 160.A NE2 GLN 421.A O no hydrogen 3.285 N/A GLN 160.A NE2 GLN 421.A OE1 no hydrogen 2.840 N/A ALA 162.A N ALA 158.A O no hydrogen 3.340 N/A GLN 164.A NE2 GLN 160.A OE1 no hydrogen 2.652 N/A ALA 165.A N ILE 161.A O no hydrogen 3.023 N/A ALA 165.A N ALA 162.A O no hydrogen 3.125 N/A SER 172.A N PRO 169.A O no hydrogen 2.556 N/A GLY 173.A N PRO 169.A O no hydrogen 2.986 N/A GLY 173.A N ASP 170.A O no hydrogen 2.960 N/A GLU 174.A N PRO 169.A O no hydrogen 3.401 N/A ALA 182.A N HIS 246.A O no hydrogen 3.151 N/A VAL 183.A N ARG 210.A O no hydrogen 3.421 N/A ALA 187.A N PHE 214.A O no hydrogen 2.787 N/A GLY 189.A N ASN 216.A O no hydrogen 2.666 N/A ARG 193.A NH1 GLU 156.A OE2 no hydrogen 3.568 N/A LEU 195.A N THR 191.A O no hydrogen 2.765 N/A SER 196.A N ARG 193.A O no hydrogen 2.812 N/A TYR 197.A N ARG 193.A O no hydrogen 3.161 N/A TYR 197.A N GLU 194.A O no hydrogen 2.487 N/A PHE 198.A N GLU 194.A O no hydrogen 3.118 N/A GLU 201.A N PHE 198.A O no hydrogen 2.719 N/A ARG 204.A N GLN 200.A O no hydrogen 3.043 N/A ARG 204.A N GLU 201.A O no hydrogen 3.024 N/A ARG 204.A NH1 GLN 421.A OE1 no hydrogen 2.595 N/A LEU 208.A N PHE 202.A O no hydrogen 3.287 N/A SER 211.A N LEU 208.A O no hydrogen 3.229 N/A SER 211.A OG ALA 207.A O no hydrogen 3.127 N/A ASN 216.A ND2 PRO 221.A O no hydrogen 2.726 N/A ASP 220.A N LYS 217.A O no hydrogen 3.283 N/A THR 222.A OG1 GLU 263.A OE1 no hydrogen 3.462 N/A THR 222.A OG1 GLU 263.A OE2 no hydrogen 2.904 N/A THR 228.A N GLU 224.A O no hydrogen 2.368 N/A THR 228.A OG1 GLU 224.A O no hydrogen 2.250 N/A THR 228.A OG1 ARG 225.A O no hydrogen 2.735 N/A MET 231.A N LEU 227.A O no hydrogen 3.402 N/A LEU 233.A N PRO 229.A O no hydrogen 2.956 N/A THR 234.A N ARG 230.A O no hydrogen 2.770 N/A THR 234.A OG1 PRO 107.A O no hydrogen 2.828 N/A VAL 235.A N MET 231.A O no hydrogen 2.997 N/A ALA 236.A N ALA 232.A O no hydrogen 2.653 N/A ALA 236.A N LEU 233.A O no hydrogen 3.238 N/A TYR 238.A OH HIS 243.A NE2 no hydrogen 3.035 N/A LEU 239.A N ALA 236.A O no hydrogen 2.710 N/A ALA 240.A N ALA 236.A O no hydrogen 3.377 N/A PHE 241.A N GLU 237.A O no hydrogen 2.763 N/A GLU 242.A N GLU 237.A O no hydrogen 2.966 N/A HIS 243.A N LEU 239.A O no hydrogen 3.322 N/A HIS 243.A ND1 TYR 245.A OH no hydrogen 2.443 N/A TYR 245.A N LEU 239.A O no hydrogen 3.003 N/A TYR 245.A OH HIS 243.A ND1 no hydrogen 2.443 N/A HIS 246.A ND1 SER 301.A O no hydrogen 2.589 N/A VAL 249.A N THR 303.A O no hydrogen 2.720 N/A LEU 251.A N ILE 305.A O no hydrogen 2.741 N/A THR 252.A OG1 LEU 251.A O no hydrogen 2.420 N/A THR 255.A OG1 ASP 253.A OD1 no hydrogen 3.126 N/A ASN 256.A N ASP 253.A O no hydrogen 3.471 N/A ASN 256.A ND2 ASP 253.A O no hydrogen 3.454 N/A TYR 257.A OH ASP 284.A O no hydrogen 3.274 N/A CYS 258.A N MET 254.A O no hydrogen 2.932 N/A CYS 258.A N THR 255.A O no hydrogen 3.244 N/A CYS 258.A SG MET 254.A O no hydrogen 4.037 N/A CYS 258.A SG THR 255.A O no hydrogen 3.186 N/A CYS 258.A SG TYR 277.A OH no hydrogen 3.058 N/A GLU 259.A N THR 255.A O no hydrogen 2.826 N/A ALA 260.A N ASN 256.A O no hydrogen 2.952 N/A ARG 262.A N CYS 258.A O no hydrogen 2.847 N/A GLU 263.A N ALA 260.A O no hydrogen 3.197 N/A ILE 264.A N LEU 261.A O no hydrogen 2.534 N/A ALA 266.A N ARG 262.A O no hydrogen 2.616 N/A ALA 267.A N GLU 263.A O no hydrogen 2.999 N/A ARG 268.A N ILE 264.A O no hydrogen 2.661 N/A TYR 280.A N PRO 278.A O no hydrogen 2.642 N/A TYR 280.A OH GLU 270.A OE2 no hydrogen 2.856 N/A MET 281.A N PRO 278.A O no hydrogen 3.276 N/A ASP 284.A N TYR 280.A O no hydrogen 3.418 N/A LEU 285.A N MET 281.A O no hydrogen 2.669 N/A ALA 286.A N TYR 282.A O no hydrogen 2.601 N/A THR 287.A N THR 283.A O no hydrogen 3.235 N/A THR 287.A OG1 ASP 284.A O no hydrogen 2.433 N/A ILE 288.A N LEU 285.A O no hydrogen 2.916 N/A ARG 291.A N ILE 288.A O no hydrogen 3.194 N/A LYS 298.A N VAL 295.A O no hydrogen 3.366 N/A GLY 300.A N ASP 244.A OD1 no hydrogen 2.926 N/A SER 301.A OG LYS 299.A O no hydrogen 3.464 N/A THR 303.A N VAL 247.A O no hydrogen 2.671 N/A GLN 304.A NE2 ILE 288.A O no hydrogen 2.354 N/A ILE 305.A N VAL 249.A O no hydrogen 2.780 N/A LEU 308.A N ILE 146.A O no hydrogen 3.403 N/A SER 309.A OG ASP 253.A OD1 no hydrogen 2.583 N/A SER 309.A OG THR 255.A OG1 no hydrogen 3.281 N/A ARG 315.A NH2 GLY 324.A O no hydrogen 3.554 N/A THR 316.A OG1 ASP 314.A OD1 no hydrogen 2.459 N/A THR 316.A OG1 ASP 314.A OD2 no hydrogen 2.445 N/A HIS 317.A N ASP 314.A O no hydrogen 3.453 N/A ASP 321.A N HIS 317.A O no hydrogen 2.822 N/A LEU 322.A N PRO 318.A O no hydrogen 2.887 N/A THR 323.A OG1 ILE 319.A O no hydrogen 3.562 N/A THR 323.A OG1 PRO 320.A O no hydrogen 2.323 N/A GLY 324.A N PRO 320.A O no hydrogen 2.820 N/A TYR 325.A N LEU 322.A O no hydrogen 2.895 N/A ILE 326.A N LEU 322.A O no hydrogen 3.121 N/A ILE 326.A N THR 323.A O no hydrogen 2.569 N/A THR 327.A N THR 323.A O no hydrogen 2.630 N/A THR 327.A OG1 THR 323.A O no hydrogen 3.036 N/A GLU 328.A N LYS 143.A O no hydrogen 3.109 N/A ARG 335.A NH1 ASP 313.A OD2 no hydrogen 2.953 N/A ARG 335.A NH2 ASP 313.A OD1 no hydrogen 2.601 N/A HIS 338.A N SER 334.A O no hydrogen 3.376 N/A ARG 339.A N ARG 335.A O no hydrogen 2.767 N/A LYS 340.A N GLU 336.A O no hydrogen 3.396 N/A GLY 341.A N HIS 338.A O no hydrogen 2.902 N/A ILE 342.A N LEU 337.A O no hydrogen 3.211 N/A SER 351.A N PRO 348.A O no hydrogen 2.954 N/A SER 351.A OG GLN 332.A O no hydrogen 3.304 N/A SER 351.A OG ASP 347.A OD2 no hydrogen 2.919 N/A LEU 352.A N GLN 330.A O no hydrogen 2.219 N/A MET 356.A N SER 353.A O no hydrogen 3.140 N/A ASN 357.A ND2 SER 353.A O no hydrogen 2.931 N/A ASN 357.A ND2 ARG 354.A O no hydrogen 2.547 N/A GLY 361.A N THR 365.A O no hydrogen 3.130 N/A LYS 364.A N LYS 362.A O no hydrogen 2.608 N/A LYS 364.A NZ GLU 122.A OE2 no hydrogen 3.279 N/A HIS 369.A N ARG 366.A O no hydrogen 2.632 N/A HIS 369.A NE2 VAL 134.A O no hydrogen 3.038 N/A LYS 370.A N GLU 367.A O no hydrogen 3.084 N/A VAL 372.A N ASP 368.A O no hydrogen 2.975 N/A SER 373.A N HIS 369.A O no hydrogen 2.713 N/A SER 373.A OG VAL 134.A O no hydrogen 3.180 N/A SER 373.A OG HIS 369.A NE2 no hydrogen 3.347 N/A ASP 374.A N GLN 371.A O no hydrogen 3.213 N/A GLN 375.A N VAL 372.A O no hydrogen 3.293 N/A ALA 379.A N GLN 375.A O no hydrogen 2.918 N/A TYR 380.A N LEU 376.A O no hydrogen 3.072 N/A ALA 381.A N TYR 377.A O no hydrogen 3.226 N/A GLY 383.A N TYR 380.A O no hydrogen 2.673 N/A VAL 384.A N ALA 381.A O no hydrogen 2.850 N/A LYS 388.A N ASP 385.A O no hydrogen 3.405 N/A LYS 388.A NZ ASP 385.A O no hydrogen 3.146 N/A THR 399.A OG1 ASP 402.A OD1 no hydrogen 3.423 N/A ARG 403.A N THR 399.A O no hydrogen 2.903 N/A ARG 404.A N GLU 400.A O no hydrogen 2.812 N/A TYR 405.A N ASP 402.A O no hydrogen 2.918 N/A LEU 406.A N ARG 403.A O no hydrogen 2.728 N/A ASP 410.A N LEU 406.A O no hydrogen 3.483 N/A ALA 411.A N GLN 407.A O no hydrogen 3.162 N/A PHE 412.A N ALA 409.A O no hydrogen 3.021 N/A GLU 413.A N ALA 409.A O no hydrogen 2.850 N/A ARG 414.A N ASP 410.A O no hydrogen 3.199 N/A ARG 414.A NH1 LYS 340.A O no hydrogen 2.753 N/A ILE 417.A N PHE 412.A O no hydrogen 2.771 N/A ASN 418.A N GLU 413.A O no hydrogen 2.869 N/A ASN 418.A ND2 ARG 414.A O no hydrogen 3.246 N/A GLY 420.A N TYR 343.A O no hydrogen 2.553 N/A ASN 423.A ND2 GLN 164.A O no hydrogen 3.116 N/A ARG 424.A N GLY 128.A O no hydrogen 2.322 N/A ARG 424.A NE GLN 422.A OE1 no hydrogen 3.264 N/A ARG 424.A NH1 SER 130.A OG no hydrogen 3.328 N/A ARG 424.A NH2 GLN 422.A OE1 no hydrogen 2.740 N/A SER 429.A N SER 425.A O no hydrogen 2.682 N/A SER 429.A OG ILE 129.A O no hydrogen 2.743 N/A SER 429.A OG SER 425.A O no hydrogen 2.245 N/A LEU 430.A N GLU 427.A O no hydrogen 3.239 N/A GLN 431.A N GLU 427.A O no hydrogen 3.404 N/A GLN 431.A NE2 GLU 427.A O no hydrogen 3.272 N/A ALA 435.A N GLN 431.A O no hydrogen 3.135 N/A LEU 436.A N ILE 432.A O no hydrogen 2.947 N/A LEU 437.A N ALA 433.A O no hydrogen 2.941 N/A SER 438.A N TRP 434.A O no hydrogen 3.221 N/A SER 438.A N ALA 435.A O no hydrogen 3.231 N/A SER 438.A OG ALA 435.A O no hydrogen 3.479 N/A MET 439.A N LEU 436.A O no hydrogen 3.056 N/A LEU 440.A N LEU 437.A O no hydrogen 3.286 N/A GLU 444.A N PRO 441.A O no hydrogen 3.141 N/A ARG 447.A NE SER 378.A OG no hydrogen 2.839 N/A ILE 448.A N GLN 375.A OE1 no hydrogen 2.548 N/A SER 449.A N GLN 371.A OE1 no hydrogen 3.012 N/A SER 449.A OG ASP 451.A OD2 no hydrogen 2.491 N/A ILE 453.A N SER 449.A O no hydrogen 3.143 N/A GLY 454.A N LYS 450.A O no hydrogen 2.706 N/A LYS 455.A N HIS 452.A O no hydrogen 3.254 N/A TYR 456.A N HIS 452.A O no hydrogen 3.057 N/A TYR 457.A OH LEU 440.A O no hydrogen 2.740 N/A