Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xnu_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 216.A N ASP 216.A OD1 no hydrogen 2.326 N/A ILE 218.A N TYR 306.A O no hydrogen 2.927 N/A HIS 220.A NE2 GLN 307.A OE1 no hydrogen 2.906 N/A ALA 221.A N GLU 308.A OE2 no hydrogen 2.860 N/A ALA 224.A N ALA 221.A O no hydrogen 2.622 N/A VAL 225.A N THR 526.A O no hydrogen 2.996 N/A GLN 226.A NE2 ASP 382.A OD2 no hydrogen 2.973 N/A GLN 226.A NE2 PHE 523.A O no hydrogen 3.410 N/A THR 227.A N ASP 524.A O no hydrogen 3.209 N/A THR 227.A OG1 THR 228.A OG1 no hydrogen 3.079 N/A THR 227.A OG1 ASP 524.A O no hydrogen 3.415 N/A THR 228.A OG1 THR 227.A OG1 no hydrogen 3.079 N/A THR 228.A OG1 ASP 524.A OD2 no hydrogen 2.511 N/A LYS 229.A N GLU 232.A OE2 no hydrogen 3.150 N/A LYS 229.A NZ GLN 226.A OE1 no hydrogen 2.561 N/A LYS 229.A NZ LEU 317.A O no hydrogen 3.271 N/A GLU 232.A N LYS 229.A O no hydrogen 3.064 N/A ARG 233.A NH1 LYS 234.A O no hydrogen 2.993 N/A ARG 233.A NH1 ASP 382.A OD1 no hydrogen 3.542 N/A ARG 233.A NH2 THR 228.A O no hydrogen 2.733 N/A ARG 233.A NH2 ASP 382.A OD2 no hydrogen 3.127 N/A LYS 234.A NZ GLU 451.A O no hydrogen 3.070 N/A LYS 234.A NZ ALA 452.A O no hydrogen 3.243 N/A ARG 236.A N ASP 382.A OD1 no hydrogen 2.728 N/A ARG 236.A NH1 LEU 522.A O no hydrogen 2.802 N/A LEU 237.A N ASP 455.A O no hydrogen 2.988 N/A VAL 238.A N MET 383.A O no hydrogen 2.975 N/A VAL 239.A N ALA 457.A O no hydrogen 2.987 N/A PHE 240.A N ILE 385.A O no hydrogen 2.813 N/A VAL 241.A N LEU 459.A O no hydrogen 2.875 N/A VAL 242.A N LEU 387.A O no hydrogen 2.993 N/A GLY 243.A N VAL 461.A O no hydrogen 2.581 N/A THR 245.A N ASP 463.A OD1 no hydrogen 3.209 N/A THR 245.A OG1 GLU 244.A OE1 no hydrogen 3.007 N/A ALA 246.A N SER 462.A OG no hydrogen 2.938 N/A ARG 247.A NE ASP 249.A OD1 no hydrogen 3.210 N/A ARG 247.A NE ASP 249.A OD2 no hydrogen 3.072 N/A ARG 247.A NH1 GLU 466.A O no hydrogen 3.074 N/A ARG 247.A NH1 GLU 470.A OE1 no hydrogen 3.278 N/A ARG 247.A NH2 ASP 249.A OD2 no hydrogen 2.263 N/A ARG 247.A NH2 GLU 470.A OE1 no hydrogen 3.379 N/A ALA 248.A N ALA 489.A O no hydrogen 2.988 N/A ASP 249.A N ASP 249.A OD1 no hydrogen 2.345 N/A HIS 250.A N ARG 247.A O no hydrogen 3.447 N/A HIS 250.A ND1 ASP 430.A OD1 no hydrogen 2.828 N/A VAL 251.A N ALA 248.A O no hydrogen 3.205 N/A ASN 254.A N VAL 251.A O no hydrogen 3.081 N/A ASN 254.A ND2 ALA 248.A O no hydrogen 2.837 N/A GLY 255.A N GLN 252.A O no hydrogen 2.617 N/A TYR 256.A N VAL 251.A O no hydrogen 3.231 N/A TYR 256.A OH ASP 430.A OD1 no hydrogen 3.341 N/A TYR 256.A OH ASP 430.A OD2 no hydrogen 2.501 N/A ARG 258.A NH1 ASN 427.A OD1 no hydrogen 3.007 N/A ARG 258.A NH1 ASP 430.A OD2 no hydrogen 2.357 N/A ARG 258.A NH2 ASN 427.A OD1 no hydrogen 2.525 N/A THR 260.A OG1 HIS 250.A O no hydrogen 2.767 N/A PHE 261.A N GLN 252.A OE1 no hydrogen 3.009 N/A GLN 263.A N ASP 437.A OD2 no hydrogen 3.003 N/A LEU 264.A N ASP 437.A OD1 no hydrogen 2.951 N/A ALA 265.A N PHE 261.A O no hydrogen 3.323 N/A VAL 267.A N LEU 264.A O no hydrogen 3.208 N/A ALA 271.A N PHE 494.A O no hydrogen 2.710 N/A ASN 272.A ND2 ASN 254.A OD1 no hydrogen 2.983 N/A PHE 273.A N ALA 492.A O no hydrogen 3.049 N/A SER 274.A N SER 506.A O no hydrogen 2.868 N/A SER 274.A OG SER 506.A OG no hydrogen 3.367 N/A THR 277.A N LEU 510.A O no hydrogen 2.792 N/A SER 278.A N ARG 488.A O no hydrogen 2.705 N/A SER 278.A OG GLY 280.A O no hydrogen 2.703 N/A SER 278.A OG ARG 488.A O no hydrogen 3.429 N/A CYS 279.A N HIS 512.A ND1 no hydrogen 2.841 N/A THR 281.A OG1 MET 478.A O no hydrogen 2.967 N/A THR 283.A OG1 GLU 244.A OE1 no hydrogen 3.270 N/A THR 283.A OG1 GLU 244.A OE2 no hydrogen 2.966 N/A THR 283.A OG1 ASP 463.A OD2 no hydrogen 2.837 N/A SER 286.A N SER 282.A O no hydrogen 2.892 N/A SER 286.A OG SER 282.A O no hydrogen 3.475 N/A SER 286.A OG ASP 463.A O no hydrogen 3.055 N/A VAL 287.A N THR 283.A O no hydrogen 3.103 N/A MET 290.A N SER 286.A O no hydrogen 2.880 N/A MET 290.A N VAL 287.A O no hydrogen 3.292 N/A SER 292.A N CYS 289.A O no hydrogen 3.115 N/A TYR 293.A OH THR 313.A OG1 no hydrogen 2.733 N/A LEU 294.A N SER 292.A OG no hydrogen 2.729 N/A GLN 296.A N ASP 513.A OD2 no hydrogen 3.347 N/A TYR 299.A OH TYR 285.A O no hydrogen 2.787 N/A THR 303.A N ASP 300.A OD2 no hydrogen 3.058 N/A THR 303.A OG1 ASP 300.A O no hydrogen 3.435 N/A THR 303.A OG1 ASP 300.A OD2 no hydrogen 3.515 N/A TYR 306.A N THR 303.A O no hydrogen 3.337 N/A GLN 307.A N ALA 304.A O no hydrogen 3.232 N/A GLN 307.A NE2 THR 303.A O no hydrogen 3.072 N/A GLU 308.A N ILE 218.A O no hydrogen 2.956 N/A ASN 309.A N ASP 312.A OD2 no hydrogen 2.995 N/A ASN 309.A ND2 VAL 333.A O no hydrogen 3.159 N/A VAL 310.A N PHE 291.A O no hydrogen 3.141 N/A LEU 311.A N ASN 309.A OD1 no hydrogen 2.756 N/A ASP 312.A N ASN 309.A OD1 no hydrogen 3.194 N/A THR 313.A N ASN 309.A O no hydrogen 3.117 N/A THR 313.A OG1 TYR 293.A OH no hydrogen 2.733 N/A THR 313.A OG1 GLU 308.A OE1 no hydrogen 2.867 N/A THR 313.A OG1 ASN 309.A O no hydrogen 3.214 N/A LEU 314.A N VAL 310.A O no hydrogen 2.907 N/A ASP 315.A N LEU 311.A O no hydrogen 3.036 N/A ARG 316.A N ASP 312.A O no hydrogen 3.233 N/A ARG 316.A NH1 GLU 308.A OE1 no hydrogen 2.264 N/A LEU 317.A N THR 313.A O no hydrogen 3.257 N/A GLY 318.A N ASP 315.A O no hydrogen 3.252 N/A VAL 319.A N LEU 314.A O no hydrogen 2.935 N/A GLY 320.A N ASP 382.A O no hydrogen 2.754 N/A LEU 322.A N LEU 384.A O no hydrogen 3.099 N/A TRP 323.A N GLN 341.A O no hydrogen 2.841 N/A TRP 323.A NE1 ASP 325.A OD2 no hydrogen 2.559 N/A ARG 324.A N MET 386.A O no hydrogen 2.887 N/A ARG 324.A NH1 MET 367.A O no hydrogen 2.466 N/A ARG 324.A NH1 VAL 369.A O no hydrogen 2.912 N/A ASP 325.A N PHE 343.A O no hydrogen 2.958 N/A ASN 326.A N HIS 388.A O no hydrogen 3.002 N/A ASN 326.A ND2 TYR 345.A O no hydrogen 2.765 N/A ASN 327.A N ASP 325.A OD1 no hydrogen 2.981 N/A ASN 327.A ND2 GLU 244.A OE2 no hydrogen 2.976 N/A ASN 327.A ND2 GLN 389.A O no hydrogen 2.970 N/A SER 328.A OG ASN 327.A OD1 no hydrogen 2.760 N/A LYS 331.A N ASP 329.A OD1 no hydrogen 2.757 N/A LYS 331.A NZ SER 328.A OG no hydrogen 2.944 N/A VAL 333.A N SER 330.A O no hydrogen 3.155 N/A ASP 335.A N GLY 332.A O no hydrogen 3.326 N/A LYS 336.A NZ LYS 305.A O no hydrogen 3.173 N/A LYS 336.A NZ GLN 307.A O no hydrogen 2.779 N/A LYS 336.A NZ ASP 312.A OD2 no hydrogen 2.788 N/A LEU 337.A N MET 334.A O no hydrogen 3.165 N/A GLN 341.A N PRO 338.A O no hydrogen 2.913 N/A GLN 341.A NE2 ILE 321.A O no hydrogen 2.996 N/A TYR 342.A N ALA 339.A O no hydrogen 3.260 N/A PHE 343.A N TRP 323.A O no hydrogen 2.853 N/A TYR 345.A N ASP 325.A O no hydrogen 2.773 N/A LYS 346.A N ASP 344.A OD1 no hydrogen 2.857 N/A LYS 346.A NZ SER 328.A O no hydrogen 2.908 N/A LYS 346.A NZ ASP 344.A OD1 no hydrogen 3.037 N/A SER 347.A OG THR 349.A OG1 no hydrogen 2.560 N/A THR 349.A OG1 SER 347.A OG no hydrogen 2.560 N/A ASN 350.A N SER 347.A O no hydrogen 3.210 N/A ASN 351.A N SER 347.A O no hydrogen 3.293 N/A ASN 351.A ND2 ARG 363.A O no hydrogen 2.631 N/A ILE 353.A N ASN 351.A OD1 no hydrogen 2.362 N/A ASN 355.A ND2 ASN 360.A OD1 no hydrogen 3.210 N/A THR 356.A OG1 ASP 402.A OD1 no hydrogen 3.084 N/A THR 356.A OG1 ASP 402.A OD2 no hydrogen 2.505 N/A ASN 357.A ND2 GLU 361.A O no hydrogen 2.698 N/A ASN 360.A N ASN 357.A O no hydrogen 3.358 N/A GLU 361.A N ASN 357.A OD1 no hydrogen 3.279 N/A ARG 363.A N ILE 353.A O no hydrogen 3.099 N/A ARG 363.A NE ASP 402.A OD1 no hydrogen 2.824 N/A ARG 363.A NH1 LYS 399.A O no hydrogen 2.839 N/A ARG 363.A NH2 LYS 399.A O no hydrogen 2.942 N/A ARG 363.A NH2 ASP 402.A OD1 no hydrogen 3.111 N/A GLY 366.A N ARG 363.A O no hydrogen 2.948 N/A MET 367.A N ASP 364.A O no hydrogen 3.031 N/A LEU 368.A N VAL 365.A O no hydrogen 3.186 N/A VAL 369.A N GLY 366.A O no hydrogen 3.369 N/A LEU 371.A N LEU 368.A O no hydrogen 3.477 N/A ASP 373.A N GLY 370.A O no hydrogen 3.345 N/A TYR 374.A N LEU 371.A O no hydrogen 3.255 N/A VAL 375.A N LEU 371.A O no hydrogen 3.151 N/A SER 376.A N ASP 372.A O no hydrogen 2.917 N/A SER 376.A OG ASP 372.A O no hydrogen 2.858 N/A ALA 377.A N ASP 373.A O no hydrogen 2.927 N/A ASN 378.A N TYR 374.A O no hydrogen 3.201 N/A ASN 378.A ND2 TYR 374.A O no hydrogen 3.024 N/A ASN 379.A N SER 376.A O no hydrogen 3.290 N/A GLY 380.A N TYR 454.A OH no hydrogen 3.306 N/A LYS 381.A N ASN 378.A O no hydrogen 2.935 N/A LYS 381.A NZ ASN 378.A OD1 no hydrogen 3.381 N/A MET 383.A N ARG 236.A O no hydrogen 2.872 N/A LEU 384.A N GLY 320.A O no hydrogen 2.808 N/A ILE 385.A N VAL 238.A O no hydrogen 2.817 N/A MET 386.A N LEU 322.A O no hydrogen 2.750 N/A LEU 387.A N PHE 240.A O no hydrogen 2.985 N/A HIS 388.A N ARG 324.A O no hydrogen 2.809 N/A HIS 388.A ND1 ASP 325.A OD2 no hydrogen 2.743 N/A GLN 389.A N VAL 242.A O no hydrogen 3.001 N/A GLN 389.A NE2 ASP 364.A OD2 no hydrogen 3.364 N/A GLN 389.A NE2 THR 436.A OG1 no hydrogen 3.290 N/A MET 390.A N ASP 364.A OD1 no hydrogen 2.837 N/A GLY 391.A N ASP 364.A OD2 no hydrogen 3.177 N/A ASN 392.A N GLU 244.A O no hydrogen 3.269 N/A ASN 392.A ND2 TYR 429.A O no hydrogen 2.959 N/A HIS 393.A N MET 390.A O no hydrogen 3.317 N/A TYR 397.A OH GLU 466.A OE2 no hydrogen 2.206 N/A ARG 400.A N TYR 397.A O no hydrogen 3.240 N/A ARG 400.A NH1 HIS 393.A O no hydrogen 3.255 N/A GLU 403.A N GLU 403.A OE2 no hydrogen 2.767 N/A PHE 405.A N ASP 402.A O no hydrogen 3.040 N/A ALA 406.A N GLU 403.A O no hydrogen 3.184 N/A LYS 407.A N PHE 405.A O no hydrogen 2.981 N/A PHE 408.A N ASN 431.A OD1 no hydrogen 3.021 N/A CYS 412.A N SER 424.A O no hydrogen 2.994 N/A CYS 420.A N LEU 417.A O no hydrogen 3.370 N/A GLN 423.A NE2 ASN 427.A OD1 no hydrogen 3.032 N/A SER 424.A OG GLU 421.A O no hydrogen 2.400 N/A LEU 425.A N GLU 421.A O no hydrogen 3.138 N/A ILE 426.A N HIS 422.A O no hydrogen 2.822 N/A ASN 427.A N GLN 423.A O no hydrogen 2.578 N/A ASN 427.A ND2 PRO 410.A O no hydrogen 2.859 N/A ALA 428.A N SER 424.A O no hydrogen 3.282 N/A TYR 429.A N LEU 425.A O no hydrogen 3.068 N/A TYR 429.A OH THR 245.A O no hydrogen 2.645 N/A ASP 430.A N ILE 426.A O no hydrogen 2.775 N/A ASN 431.A N ASN 427.A O no hydrogen 2.900 N/A ASN 431.A ND2 TYR 401.A OH no hydrogen 3.246 N/A ASN 431.A ND2 PHE 408.A O no hydrogen 3.120 N/A ALA 432.A N ALA 428.A O no hydrogen 3.204 N/A LEU 433.A N TYR 429.A O no hydrogen 3.293 N/A LEU 434.A N ASP 430.A O no hydrogen 3.152 N/A ALA 435.A N ASN 431.A O no hydrogen 3.232 N/A THR 436.A N ALA 432.A O no hydrogen 3.083 N/A THR 436.A OG1 ALA 432.A O no hydrogen 3.289 N/A ASP 437.A N LEU 433.A O no hydrogen 2.719 N/A ASP 438.A N LEU 434.A O no hydrogen 2.943 N/A PHE 439.A N ALA 435.A O no hydrogen 2.980 N/A ILE 440.A N THR 436.A O no hydrogen 2.900 N/A ALA 441.A N ASP 437.A O no hydrogen 3.054 N/A LYS 442.A N ASP 438.A O no hydrogen 2.880 N/A LYS 442.A NZ ASP 438.A OD1 no hydrogen 3.206 N/A SER 443.A N PHE 439.A O no hydrogen 2.824 N/A SER 443.A OG PHE 439.A O no hydrogen 3.157 N/A ILE 444.A N ILE 440.A O no hydrogen 2.943 N/A ASP 445.A N ALA 441.A O no hydrogen 2.995 N/A TRP 446.A N LYS 442.A O no hydrogen 3.093 N/A TRP 446.A NE1 ASP 372.A OD1 no hydrogen 2.500 N/A LEU 447.A N SER 443.A O no hydrogen 3.051 N/A LYS 448.A N ILE 444.A O no hydrogen 2.956 N/A LYS 448.A NZ ASP 445.A OD2 no hydrogen 3.394 N/A THR 449.A N TRP 446.A O no hydrogen 3.112 N/A THR 449.A OG1 TRP 446.A O no hydrogen 2.493 N/A HIS 450.A N LEU 447.A O no hydrogen 3.191 N/A HIS 450.A NE2 ASP 372.A OD1 no hydrogen 2.760 N/A GLU 451.A N LYS 448.A O no hydrogen 3.295 N/A TYR 454.A N HIS 450.A O no hydrogen 2.924 N/A ASP 455.A N PRO 235.A O no hydrogen 2.854 N/A VAL 456.A N ASN 497.A OD1 no hydrogen 3.389 N/A ALA 457.A N LEU 237.A O no hydrogen 3.181 N/A MET 458.A N TRP 495.A O no hydrogen 2.883 N/A LEU 459.A N VAL 239.A O no hydrogen 3.030 N/A TYR 460.A N PHE 493.A O no hydrogen 2.832 N/A VAL 461.A N VAL 241.A O no hydrogen 3.385 N/A SER 462.A N PRO 491.A O no hydrogen 3.459 N/A SER 462.A OG ALA 246.A O no hydrogen 3.432 N/A SER 462.A OG HIS 464.A O no hydrogen 2.875 N/A ASP 463.A N GLY 243.A O no hydrogen 2.890 N/A HIS 464.A ND1 GLY 465.A O no hydrogen 2.783 N/A GLY 465.A N GLN 487.A O no hydrogen 2.429 N/A SER 467.A N LEU 475.A O no hydrogen 2.806 N/A GLU 470.A N GLU 470.A OE2 no hydrogen 2.609 N/A GLY 472.A N GLY 469.A O no hydrogen 2.926 N/A VAL 473.A N GLU 470.A O no hydrogen 3.409 N/A HIS 476.A ND1 GLU 466.A OE1 no hydrogen 2.962 N/A ASN 480.A ND2 CYS 279.A O no hydrogen 3.143 N/A PHE 482.A N PRO 479.A O no hydrogen 3.190 N/A GLN 487.A N PRO 484.A O no hydrogen 3.197 N/A GLN 487.A NE2 SER 467.A OG no hydrogen 2.915 N/A ARG 488.A NE SER 278.A O no hydrogen 3.334 N/A ARG 488.A NH2 SER 278.A O no hydrogen 3.051 N/A VAL 490.A N VAL 276.A O no hydrogen 3.304 N/A PHE 493.A N TYR 460.A O no hydrogen 2.929 N/A PHE 494.A N ALA 271.A O no hydrogen 2.958 N/A TRP 495.A N MET 458.A O no hydrogen 2.916 N/A SER 496.A OG VAL 456.A O no hydrogen 3.420 N/A ASN 498.A ND2 ASN 497.A OD1 no hydrogen 2.699 N/A THR 500.A N ASN 498.A OD1 no hydrogen 2.533 N/A THR 500.A OG1 ASN 498.A OD1 no hydrogen 2.342 N/A THR 504.A N PHE 536.A O no hydrogen 3.017 N/A THR 504.A OG1 THR 508.A OG1 no hydrogen 2.858 N/A SER 506.A OG ASN 272.A O no hydrogen 2.711 N/A SER 506.A OG SER 274.A OG no hydrogen 3.367 N/A THR 508.A N ALA 505.A O no hydrogen 3.147 N/A THR 508.A OG1 THR 504.A OG1 no hydrogen 2.858 N/A THR 508.A OG1 ALA 505.A O no hydrogen 2.403 N/A LEU 510.A N GLN 275.A O no hydrogen 3.236 N/A HIS 512.A N THR 277.A O no hydrogen 3.139 N/A HIS 512.A NE2 SER 462.A O no hydrogen 2.873 N/A ASP 513.A N THR 511.A OG1 no hydrogen 3.229 N/A ALA 514.A N THR 511.A O no hydrogen 2.958 N/A ILE 515.A N HIS 512.A O no hydrogen 3.123 N/A THR 516.A OG1 MET 290.A O no hydrogen 3.377 N/A THR 516.A OG1 SER 292.A O no hydrogen 2.757 N/A THR 518.A N ALA 514.A O no hydrogen 3.108 N/A THR 518.A OG1 ALA 514.A O no hydrogen 2.509 N/A LEU 519.A N ILE 515.A O no hydrogen 2.894 N/A LEU 520.A N THR 516.A O no hydrogen 3.129 N/A LYS 521.A N PRO 517.A O no hydrogen 2.988 N/A LYS 521.A NZ GLN 538.A O no hydrogen 3.279 N/A LEU 522.A N THR 518.A O no hydrogen 2.929 N/A PHE 523.A N LEU 520.A O no hydrogen 3.119 N/A ASP 524.A N LYS 521.A O no hydrogen 3.115 N/A VAL 525.A N LEU 520.A O no hydrogen 2.906 N/A THR 526.A N VAL 225.A O no hydrogen 2.858 N/A THR 526.A OG1 VAL 225.A O no hydrogen 2.920 N/A GLY 528.A N ASP 223.A OD2 no hydrogen 2.553 N/A LYS 529.A NZ TYR 293.A O no hydrogen 3.505 N/A VAL 530.A N ALA 527.A O no hydrogen 3.205 N/A ARG 533.A N VAL 530.A O no hydrogen 2.902 N/A ARG 533.A NH1 TYR 293.A O no hydrogen 3.270 N/A ARG 533.A NH2 ASP 513.A O no hydrogen 3.378 N/A PHE 536.A N THR 518.A OG1 no hydrogen 2.685 N/A GLN 538.A N LYS 502.A O no hydrogen 2.714 N/A