Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4b3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 7.A OG1 ASP 108.A OD1 no hydrogen 3.543 N/A LYS 13.A N LYS 70.A O no hydrogen 3.163 N/A LYS 13.A NZ ASP 73.A OD2 no hydrogen 3.232 N/A GLU 29.A N THR 27.A O no hydrogen 2.765 N/A LEU 34.A N ILE 31.A O no hydrogen 3.036 N/A CYS 38.A N LEU 34.A O no hydrogen 3.190 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.356 N/A THR 39.A N VAL 35.A O no hydrogen 3.216 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.669 N/A GLU 40.A N GLU 36.A O no hydrogen 3.298 N/A MET 41.A N ILE 37.A O no hydrogen 3.193 N/A GLU 42.A N CYS 38.A O no hydrogen 3.214 N/A LYS 43.A N THR 39.A O no hydrogen 3.387 N/A GLY 45.A N MET 41.A O no hydrogen 3.242 N/A LYS 46.A N MET 41.A O no hydrogen 2.912 N/A SER 48.A N GLN 132.A O no hydrogen 3.403 N/A ILE 50.A N ARG 130.A O no hydrogen 3.297 N/A ASN 54.A ND2 LYS 113.A O no hydrogen 2.718 N/A TYR 56.A N ASN 54.A OD1 no hydrogen 3.068 N/A TYR 56.A OH ASP 17.A OD2 no hydrogen 3.046 N/A ASN 57.A ND2 VAL 21.A O no hydrogen 3.116 N/A ASN 57.A ND2 GLN 23.A OE1 no hydrogen 3.268 N/A THR 58.A OG1 ALA 116.A O no hydrogen 2.843 N/A ASN 68.A N PHE 64.A O no hydrogen 3.154 N/A ASN 68.A ND2 GLY 139.A O no hydrogen 3.565 N/A LYS 70.A N LEU 67.A O no hydrogen 3.088 N/A THR 71.A N LEU 67.A O no hydrogen 2.928 N/A THR 71.A OG1 LEU 67.A O no hydrogen 2.612 N/A HIS 83.A NE2 GLN 256.A OE1 no hydrogen 2.976 N/A ALA 85.A N HIS 83.A ND1 no hydrogen 3.310 N/A GLY 86.A N HIS 83.A O no hydrogen 3.147 N/A LYS 91.A N SER 178.A O no hydrogen 2.863 N/A SER 92.A N SER 178.A O no hydrogen 3.288 N/A THR 94.A N VAL 176.A O no hydrogen 2.922 N/A THR 94.A OG1 HIS 185.A NE2 no hydrogen 3.011 N/A LEU 96.A N LEU 174.A O no hydrogen 2.890 N/A GLY 99.A N THR 202.A O no hydrogen 2.822 N/A SER 104.A OG ASP 100.A O no hydrogen 3.241 N/A SER 104.A OG ALA 101.A O no hydrogen 2.718 N/A LEU 107.A N ASN 134.A O no hydrogen 2.901 N/A PHE 111.A N ASP 108.A O no hydrogen 3.049 N/A ARG 112.A N ASP 108.A O no hydrogen 3.066 N/A ARG 112.A NE LEU 107.A O no hydrogen 2.880 N/A ARG 112.A NE ASN 134.A O no hydrogen 2.997 N/A ARG 112.A NH2 LEU 107.A O no hydrogen 3.326 N/A LYS 113.A NZ TYR 114.A OH no hydrogen 3.132 N/A TYR 114.A N PHE 111.A O no hydrogen 3.250 N/A THR 115.A OG1 ARG 112.A O no hydrogen 2.975 N/A THR 115.A OG1 TYR 133.A O no hydrogen 3.278 N/A PHE 117.A N TYR 131.A O no hydrogen 2.808 N/A THR 118.A OG1 ASN 57.A OD1 no hydrogen 2.725 N/A ARG 130.A NH1 TYR 56.A O no hydrogen 3.487 N/A ARG 130.A NH2 TYR 56.A O no hydrogen 2.796 N/A TYR 131.A N PHE 117.A O no hydrogen 3.332 N/A GLN 132.A N SER 48.A O no hydrogen 3.358 N/A ASN 134.A N LYS 46.A O no hydrogen 2.867 N/A ASN 134.A ND2 SER 48.A OG no hydrogen 2.788 N/A LEU 136.A N VAL 105.A O no hydrogen 3.436 N/A LYS 141.A N ASN 68.A OD1 no hydrogen 2.969 N/A LYS 141.A NZ ASP 73.A OD1 no hydrogen 3.562 N/A SER 143.A N TRP 140.A O no hydrogen 3.318 N/A SER 143.A OG PRO 137.A O no hydrogen 3.169 N/A ILE 146.A N GLY 142.A O no hydrogen 3.303 N/A PHE 147.A N SER 143.A O no hydrogen 3.412 N/A GLN 148.A NE2 VAL 77.A O no hydrogen 3.677 N/A SER 149.A N ALA 145.A O no hydrogen 3.327 N/A SER 150.A N ILE 146.A O no hydrogen 2.865 N/A SER 150.A OG ILE 146.A O no hydrogen 2.875 N/A MET 151.A N PHE 147.A O no hydrogen 3.107 N/A THR 152.A N GLN 148.A O no hydrogen 3.198 N/A THR 152.A OG1 GLN 148.A O no hydrogen 2.637 N/A LYS 153.A NZ GLU 6.A OE2 no hydrogen 3.449 N/A ILE 154.A N SER 150.A O no hydrogen 3.272 N/A LEU 155.A N MET 151.A O no hydrogen 3.017 N/A ARG 159.A NH1 ILE 167.A O no hydrogen 2.979 N/A ARG 159.A NH2 ILE 167.A O no hydrogen 2.785 N/A LYS 160.A NZ GLU 156.A OE2 no hydrogen 3.545 N/A GLN 161.A N PRO 157.A O no hydrogen 3.269 N/A ASN 162.A N PHE 158.A O no hydrogen 3.328 N/A VAL 166.A N GLY 177.A O no hydrogen 3.275 N/A TYR 168.A N TYR 175.A O no hydrogen 2.840 N/A GLN 169.A NE2 THR 152.A OG1 no hydrogen 3.211 N/A TYR 170.A N ASP 173.A O no hydrogen 2.822 N/A LEU 174.A N LEU 96.A O no hydrogen 3.053 N/A TYR 175.A N TYR 168.A O no hydrogen 2.806 N/A VAL 176.A N THR 94.A O no hydrogen 3.059 N/A GLY 177.A N VAL 166.A O no hydrogen 3.245 N/A SER 178.A N SER 92.A O no hydrogen 3.376 N/A SER 178.A OG HIS 185.A ND1 no hydrogen 2.732 N/A HIS 185.A N GLU 181.A O no hydrogen 2.975 N/A HIS 185.A ND1 SER 178.A OG no hydrogen 2.732 N/A HIS 185.A NE2 THR 94.A OG1 no hydrogen 3.011 N/A THR 187.A OG1 GLY 183.A O no hydrogen 3.122 N/A ILE 189.A N HIS 185.A O no hydrogen 3.457 N/A GLU 191.A N THR 187.A O no hydrogen 3.198 N/A LEU 192.A N LYS 188.A O no hydrogen 3.018 N/A ARG 193.A N ILE 189.A O no hydrogen 2.847 N/A HIS 195.A NE2 ILE 154.A O no hydrogen 2.788 N/A LEU 196.A N LEU 192.A O no hydrogen 3.345 N/A LEU 197.A N ARG 193.A O no hydrogen 3.092 N/A GLY 200.A N LEU 196.A O no hydrogen 3.411 N/A LEU 201.A N LEU 196.A O no hydrogen 3.174 N/A THR 202.A N GLY 99.A O no hydrogen 3.268 N/A THR 202.A OG1 GLY 99.A O no hydrogen 3.438 N/A HIS 208.A N ASP 205.A O no hydrogen 3.147 N/A HIS 208.A N ASP 205.A OD1 no hydrogen 3.136 N/A HIS 208.A ND1 ASP 205.A OD1 no hydrogen 2.798 N/A PHE 214.A N LEU 221.A O no hydrogen 3.251 N/A TRP 216.A N TYR 219.A O no hydrogen 3.170 N/A TYR 219.A N TRP 216.A O no hydrogen 2.958 N/A TYR 219.A OH GLN 256.A OE1 no hydrogen 2.692 N/A GLU 220.A N THR 227.A O no hydrogen 2.790 N/A LEU 221.A N PHE 214.A O no hydrogen 2.873 N/A HIS 222.A N LYS 225.A O no hydrogen 3.126 N/A HIS 222.A NE2 GLU 220.A OE2 no hydrogen 2.815 N/A TRP 226.A N GLY 303.A O no hydrogen 3.318 N/A THR 227.A N GLU 220.A O no hydrogen 3.092 N/A THR 227.A OG1 VAL 228.A O no hydrogen 3.365 N/A THR 227.A OG1 VAL 301.A O no hydrogen 3.202 N/A VAL 241.A N THR 240.A OG1 no hydrogen 2.638 N/A LYS 246.A N ASN 242.A O no hydrogen 3.062 N/A LEU 247.A N ASP 243.A O no hydrogen 3.217 N/A GLY 249.A N GLN 245.A O no hydrogen 3.126 N/A LYS 250.A N LYS 246.A O no hydrogen 2.992 N/A LEU 251.A N LEU 247.A O no hydrogen 3.096 N/A ASN 252.A N VAL 248.A O no hydrogen 2.811 N/A TRP 253.A N GLY 249.A O no hydrogen 3.150 N/A ALA 254.A N LYS 250.A O no hydrogen 3.186 N/A SER 255.A OG LEU 251.A O no hydrogen 2.677 N/A GLN 256.A NE2 TRP 253.A O no hydrogen 3.094 N/A ILE 257.A N ALA 254.A O no hydrogen 3.439 N/A TYR 258.A N ALA 254.A O no hydrogen 2.917 N/A LYS 262.A N ASN 293.A OD1 no hydrogen 3.418 N/A VAL 263.A N GLN 323.A OE1 no hydrogen 3.275 N/A ARG 264.A NH1 GLY 322.A O no hydrogen 2.927 N/A GLN 265.A N GLU 289.A OE2 no hydrogen 3.186 N/A GLN 265.A NE2 GLU 285.A O no hydrogen 3.617 N/A CYS 267.A N VAL 263.A O no hydrogen 3.269 N/A CYS 267.A SG VAL 263.A O no hydrogen 3.330 N/A LYS 268.A NZ GLN 265.A OE1 no hydrogen 2.815 N/A LEU 270.A N CYS 267.A O no hydrogen 3.330 N/A GLU 287.A N THR 283.A O no hydrogen 3.327 N/A ALA 291.A N GLU 287.A O no hydrogen 3.223 N/A ASN 293.A ND2 LYS 262.A O no hydrogen 3.222 N/A LYS 298.A NZ GLU 295.A OE2 no hydrogen 3.347 N/A GLY 303.A N TRP 226.A O no hydrogen 2.712 N/A VAL 304.A N ASN 335.A O no hydrogen 3.371 N/A TYR 305.A OH HIS 222.A O no hydrogen 2.735 N/A TYR 305.A OH LYS 225.A O no hydrogen 3.194 N/A TYR 306.A N LEU 87.A O no hydrogen 2.803 N/A ASP 307.A N GLN 330.A OE1 no hydrogen 3.319 N/A SER 309.A N ASP 307.A OD1 no hydrogen 3.226 N/A SER 309.A OG ASP 307.A OD1 no hydrogen 2.665 N/A LYS 310.A NZ GLU 331.A OE2 no hydrogen 3.250 N/A ILE 313.A N TYR 329.A O no hydrogen 2.954 N/A ALA 314.A N LYS 375.A O no hydrogen 2.879 N/A GLU 315.A N GLN 327.A O no hydrogen 3.441 N/A ILE 316.A N LYS 377.A O no hydrogen 3.348 N/A GLN 317.A N THR 325.A O no hydrogen 3.038 N/A GLN 317.A NE2 GLU 315.A O no hydrogen 3.249 N/A GLN 317.A NE2 THR 325.A O no hydrogen 3.125 N/A GLN 317.A NE2 GLN 327.A OE1 no hydrogen 2.785 N/A LYS 318.A NZ GLY 320.A O no hydrogen 3.446 N/A LYS 318.A NZ ASP 351.A OD1 no hydrogen 3.476 N/A TRP 324.A N TYR 341.A O no hydrogen 2.989 N/A THR 325.A N GLN 317.A O no hydrogen 3.228 N/A TYR 326.A N GLY 339.A O no hydrogen 3.376 N/A GLN 327.A NE2 GLN 317.A OE1 no hydrogen 2.918 N/A ILE 328.A N LYS 337.A O no hydrogen 2.983 N/A TYR 329.A N ILE 313.A O no hydrogen 2.841 N/A GLN 330.A NE2 ASP 307.A O no hydrogen 2.782 N/A LEU 336.A N ILE 328.A O no hydrogen 2.812 N/A LYS 337.A N ILE 328.A O no hydrogen 3.447 N/A LYS 337.A NZ GLU 365.A OE1 no hydrogen 3.431 N/A LYS 337.A NZ GLU 365.A OE2 no hydrogen 3.082 N/A THR 338.A N GLN 256.A O no hydrogen 3.111 N/A THR 338.A OG1 SER 255.A O no hydrogen 2.722 N/A THR 338.A OG1 TYR 258.A O no hydrogen 3.497 N/A GLY 339.A N TYR 326.A O no hydrogen 2.948 N/A TYR 341.A N TRP 324.A O no hydrogen 2.791 N/A LYS 353.A N ASN 350.A OD1 no hydrogen 2.818 N/A LYS 353.A NZ TYR 392.A OH no hydrogen 2.816 N/A GLN 354.A N ASN 350.A O no hydrogen 2.757 N/A LEU 355.A N ASP 351.A O no hydrogen 3.303 N/A THR 356.A N VAL 352.A O no hydrogen 3.407 N/A THR 356.A OG1 VAL 352.A O no hydrogen 2.926 N/A GLU 357.A N LYS 353.A O no hydrogen 2.971 N/A ALA 358.A N GLN 354.A O no hydrogen 2.915 N/A VAL 359.A N LEU 355.A O no hydrogen 3.136 N/A GLN 360.A N THR 356.A O no hydrogen 3.148 N/A LYS 361.A NZ LYS 340.A O no hydrogen 2.824 N/A ILE 362.A N ALA 358.A O no hydrogen 3.311 N/A THR 363.A N VAL 359.A O no hydrogen 2.897 N/A THR 363.A OG1 VAL 359.A O no hydrogen 2.710 N/A THR 364.A N GLN 360.A O no hydrogen 3.089 N/A THR 364.A OG1 GLN 360.A O no hydrogen 2.703 N/A GLU 365.A N LYS 361.A O no hydrogen 3.258 N/A SER 366.A N ILE 362.A O no hydrogen 2.815 N/A SER 366.A OG ILE 362.A O no hydrogen 2.729 N/A ILE 367.A N THR 363.A O no hydrogen 3.335 N/A ILE 369.A N GLU 365.A O no hydrogen 3.276 N/A GLY 371.A N SER 366.A O no hydrogen 2.594 N/A LYS 372.A NZ LYS 310.A O no hydrogen 3.167 N/A LYS 375.A N LEU 312.A O no hydrogen 2.803 N/A PHE 376.A N GLU 400.A O no hydrogen 3.488 N/A LYS 377.A N ALA 314.A O no hydrogen 2.772 N/A LEU 378.A N GLU 402.A O no hydrogen 3.367 N/A TRP 385.A N GLN 381.A O no hydrogen 3.141 N/A GLU 386.A N LYS 382.A O no hydrogen 3.418 N/A THR 387.A OG1 GLU 383.A O no hydrogen 2.655 N/A TRP 388.A N THR 384.A O no hydrogen 3.429 N/A THR 390.A OG1 GLU 386.A O no hydrogen 2.727 N/A THR 390.A OG1 THR 387.A O no hydrogen 3.230 N/A TYR 392.A N TRP 388.A O no hydrogen 3.287 N/A GLU 402.A N PHE 376.A O no hydrogen 3.041 N/A TYR 414.A OH ILE 493.A O no hydrogen 3.396 N/A GLU 417.A N VAL 518.A O no hydrogen 3.220 N/A PHE 427.A N ASN 481.A O no hydrogen 2.849 N/A VAL 429.A N VAL 483.A O no hydrogen 2.784 N/A GLY 431.A N GLU 465.A OE1 no hydrogen 2.847 N/A SER 434.A N LEU 439.A O no hydrogen 2.812 N/A GLY 440.A N LEU 456.A O no hydrogen 3.451 N/A LYS 441.A N ALA 432.A O no hydrogen 3.153 N/A ALA 442.A N VAL 454.A O no hydrogen 3.402 N/A THR 446.A OG1 ARG 450.A O no hydrogen 2.960 N/A LYS 452.A NZ ASP 475.A OD2 no hydrogen 3.278 N/A VAL 454.A N ALA 442.A O no hydrogen 3.300 N/A LEU 456.A N GLY 440.A O no hydrogen 2.980 N/A THR 459.A OG1 THR 460.A O no hydrogen 3.211 N/A ASN 461.A ND2 ALA 433.A O no hydrogen 2.783 N/A LYS 463.A N THR 460.A O no hydrogen 3.305 N/A THR 464.A N THR 460.A O no hydrogen 3.229 N/A THR 464.A OG1 THR 460.A O no hydrogen 3.380 N/A THR 464.A OG1 ASN 461.A O no hydrogen 2.952 N/A GLN 467.A N LYS 463.A O no hydrogen 2.865 N/A LEU 471.A N GLN 467.A O no hydrogen 3.290 N/A ALA 472.A N ALA 468.A O no hydrogen 3.260 N/A LEU 473.A N ILE 469.A O no hydrogen 3.263 N/A SER 476.A OG ALA 472.A O no hydrogen 3.422 N/A SER 476.A OG LEU 473.A O no hydrogen 2.925 N/A VAL 480.A N LYS 517.A O no hydrogen 3.393 N/A ILE 482.A N TYR 519.A O no hydrogen 2.844 N/A VAL 483.A N PHE 427.A O no hydrogen 2.936 N/A THR 484.A N ALA 521.A O no hydrogen 3.025 N/A ALA 495.A N GLY 491.A O no hydrogen 3.391 N/A ASN 506.A N SER 502.A O no hydrogen 3.346 N/A ILE 508.A N VAL 505.A O no hydrogen 2.886 N/A ILE 509.A N VAL 505.A O no hydrogen 2.936 N/A GLU 510.A N ASN 506.A O no hydrogen 3.291 N/A GLN 511.A NE2 GLN 474.A OE1 no hydrogen 2.784 N/A LEU 512.A N ILE 508.A O no hydrogen 3.038 N/A ILE 513.A N ILE 509.A O no hydrogen 3.396 N/A LYS 515.A N GLN 511.A O no hydrogen 3.218 N/A LYS 515.A NZ GLY 477.A O no hydrogen 2.742 N/A TYR 519.A N VAL 480.A O no hydrogen 3.047 N/A ALA 521.A N ILE 482.A O no hydrogen 3.026 N/A VAL 523.A N THR 484.A O no hydrogen 3.060 N/A GLY 531.A N GLN 534.A OE1 no hydrogen 3.015 N/A ASN 532.A N ILE 529.A O no hydrogen 3.216 N/A GLU 533.A N ILE 529.A O no hydrogen 3.396 N/A ASP 536.A N ASN 532.A O no hydrogen 3.329 N/A LYS 537.A N GLU 533.A O no hydrogen 3.276 N/A VAL 539.A N VAL 535.A O no hydrogen 3.426 N/A SER 540.A N ASP 536.A O no hydrogen 3.359 N/A SER 540.A OG ASP 536.A O no hydrogen 2.673 N/A