Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5urf_1.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N GLY 3.A O no hydrogen 3.177 N/A THR 8.A N ASN 100.A OD1 no hydrogen 2.816 N/A THR 8.A OG1 GLY 204.A O no hydrogen 2.971 N/A VAL 12.A N THR 27.A OG1 no hydrogen 3.029 N/A SER 15.A OG ASP 78.A OD2 no hydrogen 2.421 N/A HIS 16.A N VAL 23.A O no hydrogen 3.040 N/A SER 18.A N TYR 21.A O no hydrogen 2.918 N/A VAL 22.A N TRP 449.A O no hydrogen 3.052 N/A VAL 23.A N HIS 16.A O no hydrogen 3.260 N/A THR 24.A N ILE 447.A O no hydrogen 3.061 N/A THR 24.A OG1 ILE 447.A O no hydrogen 3.546 N/A LYS 25.A N GLY 14.A O no hydrogen 2.902 N/A LYS 25.A NZ HIS 16.A NE2.A no hydrogen 2.763 N/A ASN 26.A N CYS 445.A O no hydrogen 3.145 N/A ASN 26.A ND2 HIS 73.A O no hydrogen 3.029 N/A THR 27.A OG1 VAL 12.A O no hydrogen 2.601 N/A ARG 28.A N VAL 443.A O no hydrogen 2.804 N/A ARG 28.A NH1 PRO 146.A O no hydrogen 2.128 N/A ARG 28.A NH2 ASP 147.A O no hydrogen 3.185 N/A PHE 30.A N GLY 441.A O no hydrogen 2.930 N/A ILE 31.A N TRP 153.A O no hydrogen 3.323 N/A THR 32.A N CYS 439.A O no hydrogen 2.941 N/A THR 32.A OG1 CYS 439.A O no hydrogen 3.570 N/A THR 33.A OG1 GLN 35.A OE1 no hydrogen 3.366 N/A GLN 35.A NE2 GLN 157.A OE1 no hydrogen 2.863 N/A ASN 36.A ND2 LEU 39.A O no hydrogen 3.346 N/A ASN 36.A ND2 THR 59.A OG1 no hydrogen 3.302 N/A TYR 40.A OH GLU 194.A OE1 no hydrogen 2.501 N/A TYR 40.A OH GLU 194.A OE2 no hydrogen 3.244 N/A THR 42.A OG1 ARG 56.A O no hydrogen 2.804 N/A GLU 43.A N ARG 56.A O no hydrogen 3.182 N/A GLU 43.A N CYS 57.A O no hydrogen 2.879 N/A ILE 45.A N GLN 55.A O no hydrogen 3.353 N/A THR 47.A OG1 ILE 45.A O no hydrogen 3.292 N/A THR 47.A OG1 LYS 53.A O no hydrogen 3.248 N/A THR 48.A OG1 SER 281.A O no hydrogen 3.332 N/A ASN 49.A N THR 48.A OG1 no hydrogen 2.724 N/A GLN 50.A NE2 GLN 50.A O no hydrogen 3.462 N/A SER 54.A OG LYS 53.A O no hydrogen 2.385 N/A GLN 55.A NE2 GLU 164.A OE2 no hydrogen 3.546 N/A THR 59.A OG1 TYR 40.A O no hydrogen 2.680 N/A THR 60.A N TYR 158.A O no hydrogen 2.849 N/A THR 60.A OG1 TRP 62.A O no hydrogen 3.521 N/A THR 60.A OG1 TYR 158.A O no hydrogen 2.331 N/A THR 63.A N ILE 418.A O no hydrogen 2.916 N/A THR 63.A OG1 PHE 156.A O no hydrogen 2.318 N/A TYR 64.A OH ASP 143.A OD2 no hydrogen 2.427 N/A PHE 65.A N ILE 416.A O no hydrogen 2.972 N/A ASN 66.A ND2 ASP 143.A OD2 no hydrogen 3.335 N/A ASN 68.A N ASN 66.A OD1 no hydrogen 3.033 N/A ASN 68.A ND2 TRP 388.A O no hydrogen 2.609 N/A GLN 69.A N PHE 67.A O no hydrogen 3.232 N/A GLN 69.A NE2 GLU 384.A O no hydrogen 3.039 N/A TYR 70.A N ASN 385.A O no hydrogen 2.958 N/A CYS 72.A SG PHE 67.A O no hydrogen 3.433 N/A CYS 72.A SG GLN 69.A O no hydrogen 3.169 N/A HIS 73.A N TYR 70.A O no hydrogen 3.171 N/A HIS 73.A NE2 PHE 67.A O no hydrogen 2.885 N/A PHE 74.A N TYR 70.A O no hydrogen 3.128 N/A ASP 78.A N SER 75.A OG no hydrogen 3.065 N/A TRP 79.A N SER 75.A O no hydrogen 2.735 N/A TRP 79.A NE1 MET 500.A O no hydrogen 2.448 N/A GLN 80.A N PRO 76.A O no hydrogen 3.012 N/A GLN 80.A NE2 HIS 465.A O no hydrogen 2.684 N/A ARG 81.A N GLN 77.A O no hydrogen 2.993 N/A ARG 81.A NE GLU 85.A OE1 no hydrogen 3.459 N/A LEU 82.A N ASP 78.A O no hydrogen 2.930 N/A THR 83.A N TRP 79.A O no hydrogen 2.870 N/A THR 83.A OG1 TRP 79.A O no hydrogen 3.087 N/A THR 83.A OG1 GLN 80.A O no hydrogen 3.318 N/A ASN 84.A N GLN 80.A O no hydrogen 2.949 N/A ASN 84.A ND2 HIS 465.A O no hydrogen 3.626 N/A GLU 85.A N ARG 81.A O no hydrogen 3.255 N/A TYR 86.A OH SER 18.A O no hydrogen 2.767 N/A LYS 87.A N GLU 452.A O no hydrogen 3.006 N/A PHE 89.A N VAL 218.A O no hydrogen 3.074 N/A ARG 90.A N GLU 450.A O no hydrogen 2.685 N/A ARG 90.A NE GLU 450.A OE1 no hydrogen 2.680 N/A ARG 90.A NH1 CYS 215.A O no hydrogen 3.200 N/A ARG 90.A NH2 GLU 450.A OE1 no hydrogen 2.859 N/A LYS 92.A N VAL 448.A O no hydrogen 2.529 N/A LYS 92.A NZ GLU 450.A OE1 no hydrogen 3.522 N/A ALA 93.A N VAL 448.A O no hydrogen 3.309 N/A GLN 95.A N GLU 446.A O no hydrogen 2.683 N/A LYS 97.A N SER 444.A O no hydrogen 3.089 N/A LYS 97.A NZ GLU 208.A OE1 no hydrogen 2.269 N/A ILE 98.A N THR 207.A O no hydrogen 3.199 N/A TYR 99.A N GLN 442.A O no hydrogen 3.016 N/A ASN 100.A ND2 GLY 9.A O no hydrogen 2.657 N/A ASN 100.A ND2 GLN 442.A OE1 no hydrogen 2.818 N/A GLN 102.A N THR 440.A O no hydrogen 2.478 N/A LYS 104.A N TYR 438.A O no hydrogen 2.949 N/A GLN 105.A N ASN 116.A O no hydrogen 2.895 N/A ILE 106.A N ASN 436.A O no hydrogen 2.823 N/A LEU 107.A N THR 114.A O no hydrogen 2.976 N/A ASN 109.A ND2 ASP 112.A OD2 no hydrogen 2.871 N/A ALA 111.A N ASN 109.A OD1 no hydrogen 2.562 N/A ASP 112.A N ASN 109.A OD1 no hydrogen 2.819 N/A THR 114.A OG1 LEU 107.A O no hydrogen 3.400 N/A ASN 116.A N GLN 105.A O no hydrogen 3.351 N/A ASP 118.A N ILE 103.A O no hydrogen 3.216 N/A THR 120.A OG1 LEU 119.A O no hydrogen 2.202 N/A VAL 123.A N LEU 201.A O no hydrogen 2.869 N/A HIS 124.A N LYS 419.A O no hydrogen 2.671 N/A ILE 125.A N GLN 199.A O no hydrogen 2.911 N/A PHE 126.A N PHE 417.A O no hydrogen 2.713 N/A CYS 127.A SG GLY 414.A O no hydrogen 3.802 N/A ASP 128.A N THR 415.A O no hydrogen 3.080 N/A HIS 131.A NE2 PRO 412.A O no hydrogen 2.542 N/A ALA 132.A N ASP 128.A OD1 no hydrogen 3.262 N/A TYR 133.A N ASP 128.A OD2 no hydrogen 3.108 N/A TYR 133.A OH LEU 192.A O no hydrogen 2.900 N/A SER 137.A OG ASN 66.A OD1 no hydrogen 3.233 N/A HIS 138.A ND1 PRO 139.A O no hydrogen 2.964 N/A ASP 141.A N HIS 138.A O no hydrogen 3.304 N/A MET 145.A N ASN 66.A O no hydrogen 3.025 N/A LYS 151.A N PRO 149.A O no hydrogen 2.514 N/A TRP 153.A N GLN 29.A O no hydrogen 2.680 N/A LEU 155.A N ILE 31.A O no hydrogen 3.304 N/A GLN 157.A NE2 THR 60.A O no hydrogen 2.492 N/A TYR 158.A N TRP 62.A O no hydrogen 2.951 N/A TYR 158.A OH PRO 134.A O no hydrogen 2.437 N/A TYR 160.A N VAL 58.A O no hydrogen 3.099 N/A TYR 160.A OH PHE 191.A O no hydrogen 3.299 N/A LEU 167.A N GLU 164.A O no hydrogen 3.293 N/A ASN 178.A N GLU 181.A OE1 no hydrogen 3.114 N/A LYS 182.A N ALA 179.A O no hydrogen 3.172 N/A ALA 183.A N ALA 179.A O no hydrogen 3.250 N/A TYR 186.A N LYS 182.A O no hydrogen 2.808 N/A PHE 191.A N TYR 160.A OH no hydrogen 2.544 N/A LEU 193.A N TYR 40.A OH no hydrogen 3.325 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.592 N/A ASN 195.A N LEU 192.A O no hydrogen 3.323 N/A SER 196.A OG LEU 193.A O no hydrogen 2.655 N/A GLN 199.A N ILE 125.A O no hydrogen 3.292 N/A LEU 201.A N VAL 123.A O no hydrogen 2.828 N/A ARG 202.A NE THR 120.A O no hydrogen 3.026 N/A GLU 205.A N ARG 202.A O no hydrogen 3.342 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.768 N/A THR 207.A N ILE 98.A O no hydrogen 2.882 N/A PHE 209.A N VAL 96.A O no hydrogen 3.272 N/A THR 210.A OG1 PHE 209.A O no hydrogen 2.377 N/A PHE 213.A N LYS 92.A O no hydrogen 2.933 N/A CYS 215.A SG PRO 91.A O no hydrogen 3.793 N/A CYS 215.A SG GLU 216.A O no hydrogen 4.031 N/A VAL 218.A N PHE 89.A O no hydrogen 3.086 N/A ASN 220.A N LYS 87.A O no hydrogen 2.322 N/A ASN 220.A ND2 TYR 86.A O no hydrogen 3.560 N/A ARG 222.A NH1 ASN 507.A OD1 no hydrogen 3.217 N/A ARG 222.A NH2 LEU 346.A O no hydrogen 3.466 N/A ALA 223.A N SER 347.A OG no hydrogen 3.332 N/A LEU 229.A N PRO 226.A O no hydrogen 3.177 N/A LYS 234.A N ASN 232.A OD1 no hydrogen 2.856 N/A VAL 235.A N ASN 232.A O no hydrogen 3.323 N/A THR 249.A N SER 248.A OG no hydrogen 2.259 N/A ARG 255.A NH1 THR 237.A O no hydrogen 3.096 N/A SER 260.A OG TYR 259.A O no hydrogen 2.343 N/A LYS 261.A NZ ASN 232.A O no hydrogen 2.813 N/A LYS 261.A NZ VAL 235.A O no hydrogen 3.160 N/A THR 263.A OG1 GLY 228.A O no hydrogen 3.388 N/A MET 266.A N ASN 373.A O no hydrogen 3.092 N/A THR 267.A OG1 LEU 353.A O no hydrogen 2.339 N/A GLY 268.A N GLN 352.A OE1 no hydrogen 3.344 N/A GLY 270.A N ILE 368.A O no hydrogen 2.958 N/A LEU 272.A N GLY 366.A O no hydrogen 2.922 N/A SER 273.A N ASP 367.A OD1 no hydrogen 2.905 N/A SER 273.A OG ASP 367.A OD1 no hydrogen 2.912 N/A SER 273.A OG ASP 367.A OD2 no hydrogen 2.479 N/A ARG 276.A N GLU 322.A OE1 no hydrogen 3.268 N/A VAL 289.A N SER 307.A O no hydrogen 2.577 N/A THR 296.A N ASN 292.A OD1 no hydrogen 3.098 N/A THR 296.A OG1 PRO 293.A O no hydrogen 2.344 N/A PHE 309.A N PRO 286.A O no hydrogen 3.348 N/A PHE 309.A N PHE 287.A O no hydrogen 3.093 N/A SER 313.A OG PRO 312.A O no hydrogen 2.339 N/A CYS 315.A SG PRO 269.A O no hydrogen 3.100 N/A CYS 315.A SG GLY 314.A O no hydrogen 2.845 N/A LEU 316.A N SER 313.A O no hydrogen 3.362 N/A ALA 317.A N GLN 352.A O no hydrogen 3.051 N/A LEU 321.A N ASN 320.A OD1 no hydrogen 2.231 N/A GLU 322.A N ASN 320.A OD1 no hydrogen 3.402 N/A TYR 323.A N ASN 320.A O no hydrogen 3.345 N/A TYR 323.A OH LEU 272.A O no hydrogen 3.414 N/A LYS 356.A N ASN 363.A O no hydrogen 2.737 N/A THR 360.A N ASN 358.A OD1 no hydrogen 2.696 N/A THR 360.A OG1 ASN 358.A OD1 no hydrogen 3.439 N/A ASN 363.A N LYS 356.A O no hydrogen 3.297 N/A VAL 365.A N LEU 354.A O no hydrogen 2.961 N/A ILE 368.A N GLY 270.A O no hydrogen 2.946 N/A GLN 374.A N PHE 371.A O no hydrogen 3.378 N/A GLN 374.A NE2 TRP 369.A O no hydrogen 2.652 N/A ARG 378.A NH2 GLY 405.A O no hydrogen 3.229 N/A THR 382.A OG1 GLU 384.A OE1 no hydrogen 3.407 N/A THR 382.A OG1 CYS 499.A O no hydrogen 2.418 N/A ARG 383.A N THR 382.A OG1 no hydrogen 2.654 N/A ARG 383.A N CYS 499.A O no hydrogen 3.115 N/A ARG 383.A NE PHE 74.A O no hydrogen 2.943 N/A ARG 383.A NH1 ASP 147.A OD2 no hydrogen 3.266 N/A ARG 383.A NH2 PHE 74.A O no hydrogen 2.712 N/A ARG 383.A NH2 ASP 147.A OD1 no hydrogen 2.508 N/A ASN 385.A N THR 382.A O no hydrogen 3.461 N/A TRP 388.A N ASN 68.A OD1 no hydrogen 2.867 N/A CYS 389.A N ILE 407.A O no hydrogen 2.517 N/A CYS 389.A SG SER 406.A OG no hydrogen 3.283 N/A CYS 389.A SG ILE 407.A O no hydrogen 3.283 N/A LYS 390.A NZ LYS 391.A O no hydrogen 3.283 N/A LYS 391.A N MET 409.A O no hydrogen 3.121 N/A ARG 393.A NH1 HIS 131.A O no hydrogen 3.497 N/A ARG 393.A NH2 HIS 131.A O no hydrogen 3.435 N/A HIS 397.A ND1 THR 398.A O no hydrogen 3.147 N/A GLY 405.A N PRO 402.A O no hydrogen 3.432 N/A ILE 407.A N ILE 387.A O no hydrogen 2.973 N/A MET 409.A N CYS 389.A O no hydrogen 3.165 N/A PHE 417.A N PHE 126.A O no hydrogen 2.536 N/A ILE 418.A N THR 63.A O no hydrogen 2.613 N/A LYS 419.A N HIS 124.A O no hydrogen 3.012 N/A ALA 421.A N GLY 122.A O no hydrogen 2.888 N/A LYS 422.A NZ ASP 432.A O no hydrogen 3.418 N/A THR 427.A OG1 ALA 428.A O no hydrogen 3.169 N/A SER 433.A OG ALA 431.A O no hydrogen 2.568 N/A TYR 438.A N LYS 104.A O no hydrogen 2.959 N/A CYS 439.A N THR 32.A OG1 no hydrogen 3.022 N/A THR 440.A N GLN 102.A O no hydrogen 2.767 N/A GLY 441.A N PHE 30.A O no hydrogen 3.346 N/A GLN 442.A N TYR 99.A O no hydrogen 2.940 N/A VAL 443.A N ARG 28.A O no hydrogen 3.117 N/A SER 444.A N LYS 97.A O no hydrogen 2.949 N/A CYS 445.A N ASN 26.A O no hydrogen 2.711 N/A GLU 446.A N GLN 95.A O no hydrogen 2.643 N/A ILE 447.A N THR 24.A O no hydrogen 3.276 N/A VAL 448.A N ALA 93.A O no hydrogen 2.695 N/A TRP 449.A N VAL 22.A O no hydrogen 2.984 N/A TRP 449.A NE1 THR 24.A OG1 no hydrogen 3.163 N/A GLU 450.A N ARG 90.A O no hydrogen 2.331 N/A VAL 451.A N LYS 20.A O no hydrogen 2.938 N/A GLU 452.A N ARG 88.A O no hydrogen 3.105 N/A ARG 453.A NE ASP 19.A OD1 no hydrogen 2.682 N/A ARG 453.A NH1 GLU 85.A OE1 no hydrogen 3.567 N/A THR 456.A OG1 GLU 462.A OE2 no hydrogen 3.504 N/A ARG 464.A NH1 GLU 462.A OE1 no hydrogen 3.478 N/A ARG 464.A NH1 ARG 463.A O no hydrogen 2.360 N/A ARG 464.A NH2 TYR 454.A OH no hydrogen 2.994 N/A ARG 464.A NH2 GLU 462.A OE1 no hydrogen 2.734 N/A HIS 465.A N ASN 84.A OD1 no hydrogen 3.080 N/A SER 471.A OG LEU 472.A O no hydrogen 2.817 N/A GLY 474.A N TYR 478.A O no hydrogen 3.086 N/A THR 479.A OG1 ASN 477.A O no hydrogen 3.410 N/A ASP 485.A N ALA 489.A O no hydrogen 2.515 N/A THR 487.A OG1 ASP 485.A OD2 no hydrogen 2.483 N/A TYR 496.A N SER 495.A OG no hydrogen 2.268 N/A GLN 498.A N GLN 498.A OE1 no hydrogen 2.509 N/A CYS 499.A SG THR 382.A OG1 no hydrogen 2.931 N/A CYS 499.A SG GLN 498.A O no hydrogen 2.724 N/A VAL 502.A N ILE 381.A O no hydrogen 2.991 N/A LYS 503.A N ASN 220.A OD1 no hydrogen 2.383 N/A LYS 503.A NZ ASN 219.A O no hydrogen 2.946 N/A LYS 503.A NZ ASP 377.A OD1 no hydrogen 3.001 N/A LYS 503.A NZ ASP 377.A OD2 no hydrogen 3.157 N/A THR 504.A OG1 PRO 501.A O no hydrogen 3.516 N/A ASN 507.A ND2 GLU 462.A OE2 no hydrogen 3.189 N/A LYS 508.A N ARG 222.A O no hydrogen 2.611 N/A