Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLU 69.A OE1 no hydrogen 3.185 N/A GLU 4.A N THR 2.A OG1 no hydrogen 3.277 N/A ALA 7.A N THR 3.A O no hydrogen 3.385 N/A LYS 8.A N GLU 4.A O no hydrogen 3.204 N/A THR 9.A N ASP 5.A O no hydrogen 3.332 N/A THR 9.A OG1 ASP 5.A O no hydrogen 2.635 N/A PHE 14.A N PHE 10.A O no hydrogen 3.271 N/A ALA 18.A N PHE 14.A O no hydrogen 3.099 N/A LEU 21.A N GLU 17.A O no hydrogen 3.298 N/A SER 22.A N ALA 18.A O no hydrogen 3.146 N/A SER 26.A N SER 22.A O no hydrogen 3.203 N/A SER 26.A OG SER 22.A O no hydrogen 3.109 N/A LEU 27.A N TYR 23.A O no hydrogen 2.992 N/A ALA 28.A N GLN 24.A O no hydrogen 3.250 N/A TRP 30.A N SER 26.A O no hydrogen 3.350 N/A ASN 33.A N SER 29.A O no hydrogen 3.438 N/A ASN 33.A ND2 SER 29.A O no hydrogen 2.402 N/A THR 34.A N TRP 30.A O no hydrogen 3.366 N/A THR 34.A OG1 TRP 30.A O no hydrogen 2.916 N/A ASN 35.A N TYR 32.A O no hydrogen 3.341 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.839 N/A ASN 40.A ND2 ASN 35.A O no hydrogen 2.627 N/A LYS 43.A N GLU 39.A O no hydrogen 3.462 N/A MET 44.A N ASN 40.A O no hydrogen 3.104 N/A ASN 45.A N ILE 41.A O no hydrogen 3.287 N/A GLY 48.A N MET 44.A O no hydrogen 3.164 N/A ALA 49.A N ILE 46.A O no hydrogen 3.304 N/A PHE 54.A N LYS 50.A O no hydrogen 3.110 N/A TYR 55.A N TRP 51.A O no hydrogen 3.230 N/A SER 59.A N TYR 55.A O no hydrogen 3.245 N/A SER 59.A OG LEU 82.A O no hydrogen 3.303 N/A SER 59.A OG GLN 84.A O no hydrogen 3.564 N/A HIS 61.A ND1 GLU 58.A OE1 no hydrogen 3.333 N/A ALA 62.A N GLU 58.A O no hydrogen 3.205 N/A LYS 63.A NZ GLN 60.A OE1 no hydrogen 3.038 N/A THR 64.A N HIS 61.A O no hydrogen 3.343 N/A THR 64.A OG1 HIS 61.A O no hydrogen 2.690 N/A ILE 74.A N ASP 72.A OD2 no hydrogen 3.234 N/A ILE 75.A N ASP 72.A OD2 no hydrogen 3.346 N/A LYS 76.A N ASP 72.A O no hydrogen 3.155 N/A ARG 77.A N PRO 73.A O no hydrogen 3.419 N/A ARG 77.A NE ARG 544.A O no hydrogen 2.954 N/A ARG 77.A NH1 GLU 191.A OE1 no hydrogen 3.368 N/A GLN 78.A N ILE 75.A O no hydrogen 3.148 N/A GLN 78.A NE2 ILE 74.A O no hydrogen 3.283 N/A LEU 79.A N ILE 75.A O no hydrogen 3.067 N/A ARG 80.A N LYS 76.A O no hydrogen 3.421 N/A LEU 82.A N LEU 79.A O no hydrogen 3.137 N/A GLN 83.A N LEU 79.A O no hydrogen 2.866 N/A GLN 83.A NE2 ALA 62.A O no hydrogen 2.770 N/A GLN 83.A NE2 TYR 65.A O no hydrogen 2.950 N/A LEU 90.A N SER 87.A O no hydrogen 3.429 N/A LYS 94.A NZ GLU 171.A OE1 no hydrogen 3.525 N/A ARG 95.A N SER 91.A O no hydrogen 3.135 N/A GLU 96.A N ALA 92.A O no hydrogen 3.176 N/A LEU 98.A N LYS 94.A O no hydrogen 3.292 N/A THR 100.A N ARG 97.A O no hydrogen 3.262 N/A THR 100.A OG1 GLU 96.A O no hydrogen 2.873 N/A ILE 101.A N ARG 97.A O no hydrogen 3.216 N/A LEU 102.A N LEU 98.A O no hydrogen 3.186 N/A ASN 103.A N ASN 99.A O no hydrogen 3.381 N/A ALA 104.A N THR 100.A O no hydrogen 3.312 N/A MET 105.A N ILE 101.A O no hydrogen 3.360 N/A SER 106.A OG LEU 102.A O no hydrogen 3.460 N/A SER 106.A OG ASN 490.A OD1 no hydrogen 3.495 N/A THR 107.A OG1 ALA 104.A O no hydrogen 3.324 N/A SER 110.A OG SER 106.A O no hydrogen 3.199 N/A THR 111.A N THR 107.A O no hydrogen 3.198 N/A THR 111.A OG1 THR 107.A O no hydrogen 2.316 N/A ALA 114.A N LEU 124.A O no hydrogen 3.107 N/A ASN 116.A N GLU 122.A O no hydrogen 2.876 N/A ASN 116.A ND2 GLU 122.A OE1 no hydrogen 3.119 N/A GLU 122.A N ASN 119.A O no hydrogen 3.392 N/A LEU 124.A N ALA 114.A O no hydrogen 3.044 N/A LEU 130.A N LEU 126.A O no hydrogen 2.975 N/A ASP 131.A N LEU 126.A O no hydrogen 3.010 N/A ASN 136.A ND2 ASP 132.A O no hydrogen 3.589 N/A SER 137.A N ILE 133.A O no hydrogen 3.365 N/A SER 137.A OG GLU 142.A OE1 no hydrogen 2.613 N/A ASP 139.A N SER 137.A OG no hydrogen 3.160 N/A ARG 143.A NE HIS 247.A O no hydrogen 3.098 N/A ARG 143.A NH1 SER 137.A O no hydrogen 3.085 N/A ARG 143.A NH2 MET 134.A O no hydrogen 2.734 N/A GLU 148.A N LEU 144.A O no hydrogen 3.175 N/A GLY 149.A N TRP 145.A O no hydrogen 3.250 N/A ARG 151.A N GLU 148.A O no hydrogen 3.259 N/A ARG 151.A NH1 TRP 147.A O no hydrogen 3.484 N/A SER 152.A N GLU 148.A O no hydrogen 3.140 N/A SER 152.A OG GLU 148.A O no hydrogen 3.141 N/A SER 152.A OG GLU 153.A OE1 no hydrogen 2.388 N/A GLN 157.A N VAL 154.A O no hydrogen 3.372 N/A GLN 157.A NE2 GLU 153.A O no hydrogen 2.705 N/A ARG 159.A NH1 TYR 479.A O no hydrogen 3.457 N/A ARG 159.A NH2 LYS 452.A O no hydrogen 3.177 N/A ARG 159.A NH2 GLU 477.A OE1 no hydrogen 3.274 N/A TYR 162.A N LEU 158.A O no hydrogen 2.947 N/A TYR 165.A OH ASP 491.A OD1 no hydrogen 2.307 N/A VAL 166.A N TYR 162.A O no hydrogen 3.256 N/A LEU 168.A N GLU 164.A O no hydrogen 3.283 N/A LYS 169.A N TYR 165.A O no hydrogen 3.159 N/A ASN 170.A N VAL 166.A O no hydrogen 2.964 N/A ASN 170.A ND2 PHE 446.A O no hydrogen 3.513 N/A MET 172.A N LEU 168.A O no hydrogen 3.425 N/A ALA 173.A N LYS 169.A O no hydrogen 3.395 N/A ARG 174.A NE GLU 179.A O no hydrogen 2.478 N/A ARG 174.A NH1 ASN 170.A O no hydrogen 3.384 N/A ASN 176.A N ALA 173.A O no hydrogen 3.266 N/A TYR 178.A N ALA 173.A O no hydrogen 3.275 N/A TYR 181.A N ASN 170.A OD1 no hydrogen 3.351 N/A GLU 191.A N TYR 199.A O no hydrogen 3.220 N/A ALA 194.A N ASN 198.A OD1 no hydrogen 3.189 N/A TYR 197.A OH GLU 553.A OE1 no hydrogen 2.971 N/A TYR 199.A N GLU 191.A O no hydrogen 3.528 N/A TYR 199.A OH ASP 207.A OD2 no hydrogen 2.374 N/A ARG 201.A NE ASP 183.A OD1 no hydrogen 2.788 N/A ARG 201.A NH1 GLU 190.A OE1 no hydrogen 3.235 N/A ARG 201.A NH2 ASP 183.A OD2 no hydrogen 3.451 N/A GLN 203.A N SER 200.A O no hydrogen 3.315 N/A ASP 207.A N GLN 203.A O no hydrogen 3.163 N/A VAL 208.A N LEU 204.A O no hydrogen 3.344 N/A GLU 209.A N ILE 205.A O no hydrogen 3.332 N/A HIS 210.A N GLU 206.A O no hydrogen 3.272 N/A THR 211.A N ASP 207.A O no hydrogen 3.385 N/A THR 211.A OG1 ASP 207.A O no hydrogen 3.339 N/A THR 211.A OG1 VAL 208.A O no hydrogen 3.376 N/A PHE 212.A N VAL 208.A O no hydrogen 3.321 N/A THR 213.A OG1 HIS 210.A O no hydrogen 2.863 N/A TYR 219.A N ILE 215.A O no hydrogen 3.125 N/A TYR 219.A OH VAL 467.A O no hydrogen 2.952 N/A GLU 220.A N LYS 216.A O no hydrogen 3.246 N/A LEU 222.A N LEU 218.A O no hydrogen 3.379 N/A HIS 223.A N TYR 219.A O no hydrogen 2.998 N/A ALA 224.A N GLU 220.A O no hydrogen 3.195 N/A VAL 226.A N LEU 222.A O no hydrogen 3.320 N/A ARG 227.A N HIS 223.A O no hydrogen 3.334 N/A ARG 227.A NH1 GLY 242.A O no hydrogen 2.996 N/A ARG 227.A NH1 GLY 587.A O no hydrogen 3.428 N/A ALA 228.A N ALA 224.A O no hydrogen 3.355 N/A LYS 229.A N VAL 226.A O no hydrogen 3.225 N/A LEU 230.A N VAL 226.A O no hydrogen 2.947 N/A TYR 234.A N LEU 230.A O no hydrogen 3.149 N/A SER 236.A OG PRO 235.A O no hydrogen 2.674 N/A CYS 243.A SG ASN 589.A O no hydrogen 3.875 N/A LEU 244.A N GLY 468.A O no hydrogen 3.147 N/A MET 252.A N ASP 251.A OD1 no hydrogen 2.980 N/A THR 258.A OG1 THR 427.A OG1 no hydrogen 3.350 N/A ASN 259.A ND2 GLY 250.A O no hydrogen 3.595 N/A MET 264.A N TYR 261.A O no hydrogen 3.017 N/A LYS 270.A NZ ASP 413.A OD1 no hydrogen 3.436 N/A LYS 270.A NZ ASP 413.A OD2 no hydrogen 2.619 N/A LYS 270.A NZ GLU 415.A OE1 no hydrogen 3.304 N/A ASN 281.A N ASP 277.A O no hydrogen 3.371 N/A GLN 282.A NE2 GLY 404.A O no hydrogen 3.565 N/A SER 283.A N VAL 280.A O no hydrogen 3.303 N/A TRP 284.A N MET 279.A O no hydrogen 3.138 N/A ARG 288.A N ASP 285.A O no hydrogen 3.260 N/A ARG 288.A NE GLU 292.A OE2 no hydrogen 3.485 N/A ARG 288.A NH2 GLU 292.A OE2 no hydrogen 3.555 N/A LYS 291.A N ARG 287.A O no hydrogen 3.262 N/A GLU 292.A N ARG 288.A O no hydrogen 3.306 N/A ALA 293.A N ILE 289.A O no hydrogen 3.339 N/A SER 299.A OG PHE 296.A O no hydrogen 2.790 N/A GLY 301.A N VAL 298.A O no hydrogen 3.191 N/A LEU 302.A N PHE 297.A O no hydrogen 2.828 N/A MET 305.A N GLU 294.A OE2 no hydrogen 3.268 N/A ASN 312.A N GLY 308.A O no hydrogen 3.214 N/A SER 313.A OG PHE 309.A O no hydrogen 2.437 N/A MET 314.A N ILE 340.A O no hydrogen 3.310 N/A THR 329.A N LYS 341.A O no hydrogen 3.345 N/A TRP 331.A N ARG 339.A O no hydrogen 3.056 N/A TRP 331.A NE1 THR 329.A OG1 no hydrogen 2.974 N/A LEU 333.A N ASP 337.A O no hydrogen 3.300 N/A LYS 335.A NZ GLU 20.A OE2 no hydrogen 2.822 N/A ARG 339.A N TRP 331.A O no hydrogen 3.356 N/A ARG 339.A NH2 ASP 337.A OD2 no hydrogen 3.404 N/A LYS 341.A N THR 329.A O no hydrogen 3.360 N/A LYS 341.A NZ VAL 325.A O no hydrogen 3.496 N/A LYS 341.A NZ HIS 327.A O no hydrogen 3.421 N/A MET 342.A N MET 314.A O no hydrogen 3.288 N/A THR 344.A OG1 LEU 315.A O no hydrogen 2.696 N/A LYS 345.A N ASP 350.A OD2 no hydrogen 2.852 N/A THR 347.A N LYS 345.A O no hydrogen 2.991 N/A PHE 351.A N MET 348.A O no hydrogen 3.255 N/A LEU 352.A N MET 348.A O no hydrogen 3.392 N/A THR 353.A N ASP 349.A O no hydrogen 3.248 N/A THR 353.A OG1 ASP 349.A O no hydrogen 2.514 N/A HIS 355.A ND1 PHE 351.A O no hydrogen 2.938 N/A GLU 357.A N THR 353.A O no hydrogen 3.150 N/A MET 358.A N ALA 354.A O no hydrogen 3.291 N/A GLY 359.A N HIS 356.A O no hydrogen 3.299 N/A HIS 360.A ND1 HIS 383.A ND1 no hydrogen 3.159 N/A GLN 362.A N MET 358.A O no hydrogen 3.306 N/A GLN 362.A NE2 PRO 303.A O no hydrogen 3.588 N/A ASP 364.A N HIS 360.A O no hydrogen 3.272 N/A MET 365.A N ILE 361.A O no hydrogen 3.063 N/A ALA 366.A N TYR 363.A O no hydrogen 3.257 N/A TYR 367.A OH HIS 383.A NE2 no hydrogen 3.179 N/A GLN 370.A N TYR 367.A O no hydrogen 3.402 N/A GLN 370.A NE2 SER 541.A O no hydrogen 3.477 N/A LEU 374.A N PRO 371.A O no hydrogen 3.010 N/A ARG 375.A NE GLN 370.A O no hydrogen 2.965 N/A ARG 375.A NH2 GLN 370.A O no hydrogen 3.156 N/A GLY 381.A N ASN 379.A OD1 no hydrogen 3.076 N/A HIS 383.A ND1 HIS 360.A ND1 no hydrogen 3.159 N/A HIS 383.A NE2 TYR 367.A OH no hydrogen 3.179 N/A LEU 392.A N ILE 389.A O no hydrogen 3.395 N/A THR 396.A N SER 393.A O no hydrogen 3.440 N/A THR 396.A OG1 SER 393.A O no hydrogen 2.579 N/A HIS 399.A N THR 396.A O no hydrogen 3.192 N/A LEU 400.A N THR 396.A O no hydrogen 3.319 N/A LYS 401.A N PRO 397.A O no hydrogen 3.370 N/A ASP 409.A N ASP 409.A OD1 no hydrogen 2.474 N/A GLU 415.A N ASP 413.A OD1 no hydrogen 3.404 N/A THR 416.A OG1 ASP 413.A O no hydrogen 3.116 N/A ASN 419.A ND2 GLU 415.A O no hydrogen 2.736 N/A LEU 421.A N ASP 417.A O no hydrogen 3.211 N/A LEU 422.A N ILE 418.A O no hydrogen 3.207 N/A THR 427.A N GLN 424.A O no hydrogen 3.406 N/A THR 427.A OG1 THR 258.A OG1 no hydrogen 3.350 N/A ILE 428.A N GLN 424.A O no hydrogen 3.216 N/A THR 431.A OG1 ARG 255.A O no hydrogen 2.941 N/A LEU 432.A N VAL 429.A O no hydrogen 3.420 N/A THR 435.A N THR 431.A O no hydrogen 3.424 N/A THR 435.A OG1 THR 431.A O no hydrogen 3.053 N/A TYR 436.A N LEU 432.A O no hydrogen 3.462 N/A MET 437.A N PRO 433.A O no hydrogen 3.423 N/A ARG 442.A NH1 TYR 492.A O no hydrogen 3.340 N/A ARG 442.A NH2 GLU 439.A OE2 no hydrogen 3.327 N/A ARG 442.A NH2 TYR 492.A O no hydrogen 2.952 N/A TRP 443.A N GLU 439.A O no hydrogen 3.308 N/A VAL 445.A N TRP 441.A O no hydrogen 3.337 N/A PHE 446.A N ARG 442.A O no hydrogen 3.308 N/A LYS 447.A N MET 444.A O no hydrogen 3.209 N/A GLY 448.A N MET 444.A O no hydrogen 3.221 N/A GLN 454.A N PRO 451.A O no hydrogen 2.967 N/A MET 456.A N GLU 477.A OE2 no hydrogen 3.387 N/A ARG 464.A NH1 THR 590.A O no hydrogen 3.540 N/A ILE 466.A N MET 462.A O no hydrogen 3.240 N/A GLY 468.A N LYS 463.A O no hydrogen 2.735 N/A VAL 469.A N LYS 463.A O no hydrogen 3.164 N/A VAL 470.A N LEU 244.A O no hydrogen 3.038 N/A THR 478.A OG1 ASP 476.A OD1 no hydrogen 3.059 N/A THR 478.A OG1 ASP 476.A OD2 no hydrogen 3.389 N/A TYR 479.A OH GLU 148.A OE2 no hydrogen 3.346 N/A ALA 484.A N ASP 481.A O no hydrogen 3.521 N/A LEU 485.A N PRO 482.A O no hydrogen 3.454 N/A ASN 490.A ND2 PHE 486.A O no hydrogen 2.637 N/A TYR 492.A N HIS 487.A O no hydrogen 2.946 N/A PHE 494.A N GLU 439.A OE2 no hydrogen 2.901 N/A ARG 496.A NH2 SER 493.A OG no hydrogen 3.181 N/A TYR 498.A N ILE 495.A O no hydrogen 3.331 N/A THR 501.A OG1 TYR 497.A O no hydrogen 3.450 N/A TYR 503.A N THR 499.A O no hydrogen 3.316 N/A GLN 504.A N THR 501.A O no hydrogen 3.337 N/A GLU 509.A N PHE 505.A O no hydrogen 3.262 N/A LEU 511.A N PHE 507.A O no hydrogen 3.223 N/A CYS 512.A SG GLN 508.A O no hydrogen 3.240 N/A GLN 513.A N ALA 510.A O no hydrogen 3.436 N/A HIS 517.A N CYS 512.A O no hydrogen 3.296 N/A HIS 517.A NE2 PRO 520.A O no hydrogen 2.776 N/A CYS 524.A N LEU 521.A O no hydrogen 3.283 N/A SER 527.A OG ASP 525.A OD1 no hydrogen 3.245 N/A SER 527.A OG ASP 525.A OD2 no hydrogen 2.849 N/A MET 539.A N LEU 536.A O no hydrogen 3.371 N/A SER 541.A OG HIS 537.A O no hydrogen 3.413 N/A SER 545.A OG LEU 542.A O no hydrogen 2.808 N/A TRP 548.A NE1 TYR 189.A O no hydrogen 3.389 N/A THR 549.A OG1 TYR 197.A O no hydrogen 3.148 N/A PHE 550.A N PRO 547.A O no hydrogen 3.090 N/A ALA 551.A N PRO 547.A O no hydrogen 3.374 N/A LEU 552.A N TRP 548.A O no hydrogen 3.343 N/A VAL 555.A N LEU 552.A O no hydrogen 3.418 N/A VAL 556.A N LEU 552.A O no hydrogen 3.241 N/A GLY 557.A N GLU 553.A O no hydrogen 3.267 N/A LYS 559.A NZ GLY 196.A O no hydrogen 3.287 N/A ASP 562.A N GLN 506.A OE1 no hydrogen 3.227 N/A VAL 563.A N ASP 562.A OD1 no hydrogen 2.794 N/A ARG 564.A N ASP 562.A OD1 no hydrogen 3.449 N/A LEU 566.A N VAL 563.A O no hydrogen 3.108 N/A LEU 567.A N VAL 563.A O no hydrogen 3.415 N/A PHE 574.A N PHE 570.A O no hydrogen 2.981 N/A THR 575.A N GLU 571.A O no hydrogen 3.415 N/A THR 575.A OG1 GLU 571.A O no hydrogen 3.171 N/A LEU 577.A N LEU 573.A O no hydrogen 3.007 N/A GLN 580.A N TRP 576.A O no hydrogen 3.348 N/A ASN 581.A N LEU 577.A O no hydrogen 3.160 N/A ASN 581.A ND2 HIS 221.A ND1 no hydrogen 3.181 N/A ASN 581.A ND2 HIS 221.A O no hydrogen 3.577 N/A TRP 588.A NE1 ARG 464.A O no hydrogen 3.121 N/A TYR 595.A OH GLU 471.A OE2 no hydrogen 2.388 N/A