Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7wk4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 7.A OH ASP 321.A OD2 no hydrogen 3.053 N/A GLN 8.A N ASP 4.A O no hydrogen 3.072 N/A SER 9.A OG LEU 5.A O no hydrogen 2.837 N/A SER 9.A OG ALA 31.A O no hydrogen 2.369 N/A SER 10.A N PHE 6.A O no hydrogen 2.846 N/A LEU 11.A N TYR 7.A O no hydrogen 3.369 N/A SER 13.A N SER 9.A O no hydrogen 3.390 N/A TRP 14.A N SER 10.A O no hydrogen 3.171 N/A ASN 15.A N LEU 11.A O no hydrogen 2.895 N/A TYR 16.A N ALA 12.A O no hydrogen 2.908 N/A ASN 17.A N SER 13.A O no hydrogen 3.104 N/A THR 18.A N TRP 14.A O no hydrogen 3.182 N/A THR 18.A OG1 TRP 14.A O no hydrogen 2.681 N/A ASN 19.A N ASN 15.A O no hydrogen 2.979 N/A THR 21.A OG1 GLU 23.A OE2 no hydrogen 3.115 N/A ASN 24.A N THR 21.A O no hydrogen 3.357 N/A ASN 24.A ND2 ASN 15.A O no hydrogen 2.675 N/A ASN 24.A ND2 ASN 15.A OD1 no hydrogen 3.135 N/A ASN 24.A ND2 ASN 19.A O no hydrogen 2.544 N/A GLN 26.A NE2 GLU 23.A O no hydrogen 2.714 N/A ASN 29.A N GLN 26.A O no hydrogen 3.273 N/A ASN 30.A N GLN 26.A O no hydrogen 3.305 N/A GLY 32.A N ASN 29.A O no hydrogen 3.088 N/A ASP 33.A N ASN 29.A O no hydrogen 3.043 N/A LYS 34.A NZ GLN 8.A OE1 no hydrogen 3.476 N/A SER 36.A N GLY 32.A O no hydrogen 3.445 N/A SER 36.A OG GLY 32.A O no hydrogen 3.238 N/A ALA 37.A N ASP 33.A O no hydrogen 2.843 N/A PHE 38.A N LYS 34.A O no hydrogen 3.037 N/A LEU 39.A N TRP 35.A O no hydrogen 2.745 N/A LYS 40.A N ALA 37.A O no hydrogen 3.354 N/A LYS 40.A NZ ASN 69.A O no hydrogen 3.316 N/A LYS 40.A NZ ASN 69.A OD1 no hydrogen 2.785 N/A GLU 41.A N ALA 37.A O no hydrogen 2.883 N/A SER 43.A OG LEU 39.A O no hydrogen 3.192 N/A SER 43.A OG GLN 68.A O no hydrogen 3.450 N/A THR 44.A N LYS 40.A O no hydrogen 3.379 N/A THR 44.A OG1 LYS 40.A O no hydrogen 2.870 N/A ALA 46.A N SER 43.A O no hydrogen 3.276 N/A THR 58.A N ASN 56.A OD1 no hydrogen 3.080 N/A THR 58.A OG1 ASN 56.A OD1 no hydrogen 2.549 N/A VAL 59.A N ASN 56.A OD1 no hydrogen 3.295 N/A LYS 60.A N ASN 56.A O no hydrogen 3.302 N/A LEU 61.A N LEU 57.A O no hydrogen 3.295 N/A GLN 62.A N VAL 59.A O no hydrogen 3.042 N/A LEU 63.A N VAL 59.A O no hydrogen 3.062 N/A GLN 64.A NE2 ASN 176.A OD1 no hydrogen 3.402 N/A GLN 67.A N LEU 63.A O no hydrogen 3.006 N/A SER 75.A OG ASP 77.A OD1 no hydrogen 2.811 N/A SER 79.A N SER 75.A O no hydrogen 3.108 N/A SER 79.A OG SER 75.A O no hydrogen 2.505 N/A LYS 80.A N GLU 76.A O no hydrogen 3.101 N/A ARG 81.A N LYS 78.A O no hydrogen 3.104 N/A LEU 82.A N LYS 78.A O no hydrogen 3.035 N/A THR 84.A N ARG 81.A O no hydrogen 3.301 N/A THR 84.A OG1 LYS 80.A O no hydrogen 2.734 N/A ILE 85.A N ARG 81.A O no hydrogen 3.162 N/A THR 88.A OG1 THR 84.A O no hydrogen 2.980 N/A MET 89.A N ILE 85.A O no hydrogen 3.189 N/A THR 91.A OG1 ASN 87.A O no hydrogen 2.425 N/A ILE 92.A N THR 88.A O no hydrogen 3.412 N/A SER 94.A N SER 90.A O no hydrogen 3.325 N/A THR 95.A N THR 91.A O no hydrogen 2.823 N/A THR 95.A OG1 THR 91.A O no hydrogen 2.928 N/A CYS 107.A SG PRO 104.A O no hydrogen 3.677 N/A LEU 114.A N LEU 110.A O no hydrogen 3.281 N/A ALA 119.A N GLU 116.A O no hydrogen 3.450 N/A GLU 126.A N ASP 123.A OD2 no hydrogen 2.932 N/A ALA 130.A N ARG 127.A O no hydrogen 3.279 N/A GLU 132.A N LEU 128.A O no hydrogen 3.118 N/A SER 133.A N TRP 129.A O no hydrogen 3.315 N/A SER 133.A OG CYS 99.A O no hydrogen 3.215 N/A SER 133.A OG TRP 129.A O no hydrogen 3.091 N/A ARG 135.A N GLU 132.A O no hydrogen 3.091 N/A SER 136.A OG GLU 132.A O no hydrogen 2.574 N/A GLN 141.A N GLN 141.A OE1 no hydrogen 2.932 N/A ARG 143.A NE GLU 461.A O no hydrogen 3.211 N/A TYR 146.A N LEU 142.A O no hydrogen 2.586 N/A TYR 146.A OH VAL 472.A O no hydrogen 2.757 N/A TYR 149.A OH ASP 475.A OD1 no hydrogen 2.760 N/A VAL 150.A N TYR 146.A O no hydrogen 3.003 N/A LEU 152.A N TYR 149.A O no hydrogen 3.252 N/A LYS 153.A N TYR 149.A O no hydrogen 3.335 N/A LYS 153.A NZ TYR 165.A OH no hydrogen 2.683 N/A ASN 154.A ND2 PHE 430.A O no hydrogen 2.806 N/A TYR 162.A N ALA 157.A O no hydrogen 3.244 N/A TYR 168.A N TYR 165.A O no hydrogen 3.253 N/A ARG 170.A NH1 ASP 167.A OD1 no hydrogen 2.614 N/A ARG 170.A NH1 ARG 185.A O no hydrogen 3.368 N/A GLY 171.A N TYR 168.A O no hydrogen 3.430 N/A GLU 174.A N GLY 171.A O no hydrogen 3.448 N/A VAL 175.A N TYR 183.A O no hydrogen 3.391 N/A TYR 181.A OH GLU 537.A OE1 no hydrogen 2.718 N/A TYR 183.A N VAL 175.A O no hydrogen 3.097 N/A SER 184.A N GLN 187.A OE1 no hydrogen 3.146 N/A GLY 186.A N SER 184.A OG no hydrogen 3.074 N/A GLN 187.A N SER 184.A O no hydrogen 3.487 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 3.258 N/A ASP 191.A N GLN 187.A O no hydrogen 3.287 N/A VAL 192.A N LEU 188.A O no hydrogen 3.269 N/A GLU 193.A N ILE 189.A O no hydrogen 3.331 N/A HIS 194.A N GLU 190.A O no hydrogen 3.066 N/A THR 195.A N ASP 191.A O no hydrogen 3.049 N/A THR 195.A OG1 ASP 191.A O no hydrogen 2.694 N/A THR 195.A OG1 VAL 192.A O no hydrogen 3.109 N/A THR 195.A OG1 TYR 482.A OH no hydrogen 3.115 N/A PHE 196.A N VAL 192.A O no hydrogen 3.169 N/A TYR 203.A N ILE 199.A O no hydrogen 2.829 N/A TYR 203.A OH VAL 451.A O no hydrogen 3.328 N/A GLU 204.A N LYS 200.A O no hydrogen 3.351 N/A HIS 205.A N PRO 201.A O no hydrogen 3.386 N/A HIS 205.A ND1 PRO 201.A O no hydrogen 2.449 N/A HIS 207.A N TYR 203.A O no hydrogen 2.680 N/A ALA 208.A N GLU 204.A O no hydrogen 3.244 N/A TYR 209.A N HIS 205.A O no hydrogen 3.260 N/A ALA 212.A N ALA 208.A O no hydrogen 3.316 N/A LYS 213.A NZ TYR 209.A OH no hydrogen 3.239 N/A LEU 214.A N VAL 210.A O no hydrogen 3.229 N/A TYR 218.A N LEU 214.A O no hydrogen 3.242 N/A TYR 218.A OH LEU 122.A O no hydrogen 2.341 N/A ILE 225.A N SER 223.A OG no hydrogen 3.030 N/A GLY 226.A N SER 223.A OG no hydrogen 3.209 N/A CYS 227.A SG ARG 448.A O no hydrogen 3.656 N/A CYS 227.A SG SER 573.A O no hydrogen 3.380 N/A LEU 228.A N GLY 452.A O no hydrogen 2.740 N/A MET 236.A N ASP 235.A OD1 no hydrogen 2.981 N/A PHE 240.A N ASP 235.A OD2 no hydrogen 2.915 N/A LEU 244.A N TRP 241.A O no hydrogen 3.415 N/A TYR 245.A N THR 242.A O no hydrogen 3.326 N/A THR 248.A N LEU 244.A O no hydrogen 3.117 N/A THR 248.A OG1 LEU 244.A O no hydrogen 2.402 N/A ALA 267.A N VAL 264.A O no hydrogen 3.222 N/A ALA 270.A N ASP 269.A OD1 no hydrogen 2.828 N/A LYS 279.A N GLU 276.A O no hydrogen 3.203 N/A PHE 281.A N GLU 278.A O no hydrogen 3.266 N/A SER 283.A OG ASN 512.A OD1 no hydrogen 3.569 N/A GLY 285.A N PHE 281.A O no hydrogen 3.396 N/A LEU 286.A N PHE 281.A O no hydrogen 3.143 N/A GLN 291.A NE2 GLU 295.A OE1 no hydrogen 3.323 N/A PHE 293.A N THR 290.A O no hydrogen 3.403 N/A TRP 294.A N GLN 291.A O no hydrogen 3.463 N/A SER 297.A OG ILE 324.A O no hydrogen 2.434 N/A GLY 303.A N ASP 301.A O no hydrogen 2.747 N/A TRP 315.A N ARG 323.A O no hydrogen 2.828 N/A ASP 321.A N GLY 318.A O no hydrogen 3.014 N/A ARG 323.A NE PHE 322.A O no hydrogen 3.410 N/A ARG 323.A NH2 ASP 321.A OD1 no hydrogen 2.948 N/A THR 328.A N LEU 299.A O no hydrogen 3.154 N/A LYS 329.A N ASP 334.A OD2 no hydrogen 2.551 N/A LYS 329.A NZ CYS 327.A O no hydrogen 3.284 N/A THR 337.A N ASP 333.A O no hydrogen 3.337 N/A ALA 338.A N ASP 334.A O no hydrogen 3.197 N/A HIS 339.A N PHE 335.A O no hydrogen 3.200 N/A HIS 340.A N LEU 336.A O no hydrogen 2.978 N/A GLU 341.A N THR 337.A O no hydrogen 2.983 N/A GLY 343.A N HIS 340.A O no hydrogen 3.139 N/A ILE 345.A N MET 342.A O no hydrogen 3.270 N/A GLN 346.A N MET 342.A O no hydrogen 3.151 N/A ASP 348.A N HIS 344.A O no hydrogen 3.169 N/A ALA 350.A N TYR 347.A O no hydrogen 3.465 N/A GLN 354.A NE2 ARG 525.A O no hydrogen 3.505 N/A LEU 358.A N PRO 355.A O no hydrogen 3.244 N/A ARG 359.A NH1 GLU 3.A OE2 no hydrogen 2.455 N/A GLU 364.A N GLU 364.A OE1 no hydrogen 2.739 N/A GLY 365.A N ASN 363.A OD1 no hydrogen 3.058 N/A SER 375.A OG GLU 372.A O no hydrogen 2.993 N/A LEU 376.A N GLU 372.A O no hydrogen 2.949 N/A SER 377.A OG ILE 373.A O no hydrogen 3.449 N/A LEU 384.A N THR 380.A O no hydrogen 3.324 N/A LYS 385.A N PRO 381.A O no hydrogen 3.372 N/A LYS 385.A NZ PHE 394.A O no hydrogen 3.363 N/A SER 386.A OG LYS 382.A O no hydrogen 3.234 N/A ILE 387.A N HIS 383.A O no hydrogen 3.327 N/A LEU 389.A N LEU 384.A O no hydrogen 3.350 N/A LEU 390.A N LEU 384.A O no hydrogen 3.424 N/A LEU 405.A N GLU 401.A O no hydrogen 2.994 N/A LEU 406.A N ILE 402.A O no hydrogen 2.922 N/A GLN 408.A N LEU 405.A O no hydrogen 3.220 N/A THR 415.A OG1 THR 419.A OG1 no hydrogen 3.218 N/A LEU 416.A N VAL 413.A O no hydrogen 3.317 N/A THR 419.A N THR 415.A O no hydrogen 2.583 N/A THR 419.A OG1 THR 415.A O no hydrogen 2.446 N/A TYR 420.A N LEU 416.A O no hydrogen 3.230 N/A TYR 420.A OH GLU 193.A OE2 no hydrogen 2.372 N/A MET 421.A N PRO 417.A O no hydrogen 2.990 N/A LEU 422.A N PHE 418.A O no hydrogen 3.397 N/A GLU 423.A N THR 419.A O no hydrogen 3.271 N/A LYS 424.A N TYR 420.A O no hydrogen 3.201 N/A LYS 424.A NZ GLU 193.A OE2 no hydrogen 3.188 N/A LYS 424.A NZ TYR 420.A OH no hydrogen 2.963 N/A ARG 426.A N LEU 422.A O no hydrogen 2.735 N/A ARG 426.A NH2 TYR 149.A OH no hydrogen 2.847 N/A TRP 427.A N GLU 423.A O no hydrogen 3.184 N/A VAL 429.A N TRP 425.A O no hydrogen 3.243 N/A GLU 433.A N MET 428.A O no hydrogen 3.446 N/A TRP 439.A N LYS 436.A O no hydrogen 3.401 N/A MET 440.A N GLU 461.A OE1 no hydrogen 2.815 N/A MET 440.A N GLU 461.A OE2 no hydrogen 3.186 N/A LYS 441.A NZ HIS 459.A O no hydrogen 2.569 N/A MET 446.A N LYS 442.A O no hydrogen 3.059 N/A ARG 448.A N TRP 444.A O no hydrogen 3.168 N/A VAL 451.A N LYS 447.A O no hydrogen 3.473 N/A VAL 454.A N LEU 228.A O no hydrogen 2.727 N/A CYS 464.A N GLY 139.A O no hydrogen 3.016 N/A SER 468.A OG ASP 465.A O no hydrogen 3.025 N/A HIS 471.A NE2 TYR 481.A OH no hydrogen 2.820 N/A SER 473.A OG LEU 469.A O no hydrogen 2.392 N/A SER 473.A OG PHE 470.A O no hydrogen 3.552 N/A TYR 476.A N HIS 471.A O no hydrogen 2.810 N/A ARG 480.A NE SER 477.A OG no hydrogen 2.834 N/A ARG 480.A NH2 SER 477.A OG no hydrogen 2.839 N/A TYR 481.A OH HIS 471.A NE2 no hydrogen 2.820 N/A TYR 482.A OH VAL 192.A O no hydrogen 3.345 N/A TYR 482.A OH THR 195.A OG1 no hydrogen 3.115 N/A THR 483.A OG1 TYR 173.A OH no hydrogen 2.521 N/A TYR 487.A N THR 483.A O no hydrogen 3.375 N/A PHE 489.A N THR 485.A O no hydrogen 3.151 N/A GLN 490.A N LEU 486.A O no hydrogen 3.389 N/A PHE 491.A N TYR 487.A O no hydrogen 3.068 N/A GLN 492.A NE2 SER 377.A OG no hydrogen 3.220 N/A GLU 493.A N PHE 489.A O no hydrogen 3.160 N/A ALA 494.A N GLN 490.A O no hydrogen 3.444 N/A LEU 495.A N PHE 491.A O no hydrogen 2.975 N/A CYS 496.A SG GLN 492.A O no hydrogen 3.597 N/A CYS 508.A N LEU 505.A O no hydrogen 3.407 N/A CYS 508.A SG CYS 496.A O no hydrogen 3.956 N/A SER 511.A OG ASP 509.A OD1 no hydrogen 3.114 N/A ASN 512.A N SER 283.A OG no hydrogen 2.894 N/A LYS 519.A NZ ALA 494.A O no hydrogen 2.623 N/A LEU 520.A N GLY 517.A O no hydrogen 3.328 N/A PHE 521.A N GLY 517.A O no hydrogen 3.018 N/A MET 523.A N LEU 520.A O no hydrogen 2.984 N/A LEU 524.A N LEU 520.A O no hydrogen 2.938 N/A ARG 525.A N PHE 521.A O no hydrogen 3.329 N/A LYS 528.A N LEU 358.A O no hydrogen 3.520 N/A ALA 535.A N PRO 531.A O no hydrogen 3.274 N/A LEU 536.A N TRP 532.A O no hydrogen 3.164 N/A VAL 539.A N LEU 536.A O no hydrogen 3.418 N/A VAL 540.A N LEU 536.A O no hydrogen 3.030 N/A GLY 541.A N LEU 536.A O no hydrogen 3.126 N/A ARG 548.A NE ASN 552.A OD1 no hydrogen 3.513 N/A PHE 558.A N PHE 554.A O no hydrogen 2.644 N/A THR 559.A OG1 GLU 555.A O no hydrogen 3.244 N/A TRP 560.A N PRO 556.A O no hydrogen 3.428 N/A LEU 561.A N LEU 557.A O no hydrogen 2.713 N/A LYS 562.A NZ HIS 205.A NE2 no hydrogen 3.248 N/A ASP 563.A N THR 559.A O no hydrogen 3.236 N/A GLN 564.A N TRP 560.A O no hydrogen 3.110 N/A ASN 565.A ND2 HIS 205.A O no hydrogen 3.477 N/A TRP 572.A NE1 GLU 449.A O no hydrogen 2.799 N/A