Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kre_Z.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 LEU 2.A O no hydrogen 2.366 N/A ALA 7.A N ASP 5.A O no hydrogen 2.360 N/A SER 14.A N VAL 10.A O no hydrogen 3.340 N/A SER 14.A OG VAL 10.A O no hydrogen 2.712 N/A ALA 15.A N ASN 11.A O no hydrogen 3.029 N/A GLU 16.A N VAL 12.A O no hydrogen 2.918 N/A GLY 17.A N THR 13.A O no hydrogen 3.242 N/A GLN 19.A N ALA 15.A O no hydrogen 3.184 N/A GLN 19.A NE2 GLU 89.A OE1 no hydrogen 2.977 N/A SER 20.A N GLU 16.A O no hydrogen 3.192 N/A LEU 22.A N LEU 18.A O no hydrogen 3.210 N/A THR 24.A OG1 VAL 21.A O no hydrogen 3.270 N/A LYS 29.A NZ ASN 483.A OD1 no hydrogen 2.798 N/A GLY 30.A N GLY 27.A O no hydrogen 3.112 N/A LYS 33.A NZ VAL 21.A O no hydrogen 2.875 N/A LEU 35.A N LYS 43.A O no hydrogen 3.330 N/A ASP 37.A N ASN 41.A O no hydrogen 3.523 N/A THR 45.A N LYS 33.A O no hydrogen 3.230 N/A THR 45.A OG1 ASP 382.A OD2 no hydrogen 2.899 N/A LYS 46.A NZ THR 149.A O no hydrogen 3.280 N/A LYS 46.A NZ VAL 151.A O no hydrogen 3.560 N/A LYS 49.A N ASP 47.A OD1 no hydrogen 3.373 N/A LEU 52.A N GLY 48.A O no hydrogen 3.112 N/A THR 53.A N LYS 49.A O no hydrogen 3.324 N/A THR 53.A OG1 VAL 50.A O no hydrogen 2.671 N/A GLU 54.A N LEU 51.A O no hydrogen 3.172 N/A MET 55.A N LEU 52.A O no hydrogen 3.395 N/A VAL 63.A N PRO 60.A O no hydrogen 3.250 N/A ALA 66.A N ALA 62.A O no hydrogen 3.212 N/A ARG 67.A N VAL 63.A O no hydrogen 3.038 N/A ALA 68.A N LEU 64.A O no hydrogen 2.772 N/A ALA 70.A N ARG 67.A O no hydrogen 3.228 N/A GLN 72.A N ALA 69.A O no hydrogen 3.165 N/A GLN 72.A NE2 ASN 504.A O no hydrogen 3.128 N/A ASP 73.A N ALA 69.A O no hydrogen 3.196 N/A THR 76.A OG1 GLN 72.A O no hydrogen 2.369 N/A THR 76.A OG1 GLN 72.A OE1 no hydrogen 3.048 N/A THR 76.A OG1 ASP 78.A O no hydrogen 3.537 N/A GLY 77.A N GLN 72.A O no hydrogen 2.465 N/A THR 80.A OG1 ASP 47.A OD1 no hydrogen 2.504 N/A VAL 83.A N GLY 79.A O no hydrogen 3.188 N/A VAL 84.A N THR 80.A O no hydrogen 3.463 N/A CYS 85.A N THR 81.A O no hydrogen 3.124 N/A CYS 85.A SG LEU 22.A O no hydrogen 3.813 N/A CYS 85.A SG THR 81.A O no hydrogen 3.333 N/A LEU 86.A N THR 82.A O no hydrogen 3.196 N/A LEU 86.A N VAL 83.A O no hydrogen 3.201 N/A VAL 87.A N VAL 83.A O no hydrogen 3.125 N/A VAL 87.A N VAL 84.A O no hydrogen 3.149 N/A GLY 88.A N VAL 84.A O no hydrogen 3.043 N/A GLU 89.A N CYS 85.A O no hydrogen 3.272 N/A LEU 90.A N LEU 86.A O no hydrogen 3.411 N/A LEU 91.A N GLY 88.A O no hydrogen 3.116 N/A ARG 92.A N GLY 88.A O no hydrogen 3.284 N/A ARG 92.A NH1 GLN 19.A OE1 no hydrogen 3.019 N/A ARG 92.A NH1 GLU 89.A OE1 no hydrogen 2.899 N/A GLN 93.A N GLU 89.A O no hydrogen 3.073 N/A GLN 93.A NE2 GLU 89.A OE2 no hydrogen 3.021 N/A ALA 94.A N LEU 90.A O no hydrogen 3.167 N/A HIS 95.A N ARG 92.A O no hydrogen 3.183 N/A ILE 98.A N ALA 94.A O no hydrogen 3.077 N/A GLN 99.A N HIS 95.A O no hydrogen 3.373 N/A GLY 101.A N ILE 98.A O no hydrogen 3.086 N/A VAL 102.A N PHE 97.A O no hydrogen 3.282 N/A ARG 105.A N HIS 103.A ND1 no hydrogen 2.963 N/A ARG 105.A NH1 ASP 109.A OD2 no hydrogen 3.206 N/A ILE 107.A N HIS 103.A O no hydrogen 3.439 N/A THR 108.A N PRO 104.A O no hydrogen 2.599 N/A THR 108.A OG1 PRO 104.A O no hydrogen 2.792 N/A ASP 109.A N ARG 105.A O no hydrogen 2.512 N/A GLY 110.A N ILE 106.A O no hydrogen 2.715 N/A PHE 111.A N THR 108.A O no hydrogen 3.144 N/A GLU 112.A N THR 108.A O no hydrogen 3.352 N/A ILE 113.A N ASP 109.A O no hydrogen 3.107 N/A ALA 114.A N GLY 110.A O no hydrogen 3.253 N/A ARG 115.A N PHE 111.A O no hydrogen 2.875 N/A ARG 115.A NE GLU 112.A OE1 no hydrogen 2.766 N/A ARG 115.A NH2 GLU 112.A OE1 no hydrogen 2.725 N/A LYS 116.A N GLU 112.A O no hydrogen 3.115 N/A GLU 117.A N ILE 113.A O no hydrogen 3.124 N/A SER 118.A N ALA 114.A O no hydrogen 2.921 N/A SER 118.A OG ALA 114.A O no hydrogen 3.342 N/A SER 118.A OG ARG 115.A O no hydrogen 2.453 N/A MET 119.A N ARG 115.A O no hydrogen 3.198 N/A PHE 121.A N GLU 117.A O no hydrogen 3.333 N/A LEU 122.A N MET 119.A O no hydrogen 3.280 N/A ASP 123.A N MET 119.A O no hydrogen 3.330 N/A PHE 125.A N PHE 121.A O no hydrogen 3.219 N/A LYS 126.A N LEU 122.A O no hydrogen 3.281 N/A LYS 126.A NZ ASP 123.A OD1 no hydrogen 3.381 N/A ILE 127.A N ILE 400.A O no hydrogen 3.043 N/A SER 128.A OG ASN 399.A OD1 no hydrogen 3.020 N/A LYS 129.A N LYS 398.A O no hydrogen 2.400 N/A LYS 129.A NZ THR 130.A O no hydrogen 3.322 N/A LYS 129.A NZ ASP 135.A OD2 no hydrogen 2.854 N/A ARG 136.A NE ASP 165.A OD1 no hydrogen 2.812 N/A ARG 136.A NH2 ASP 165.A OD1 no hydrogen 2.637 N/A ARG 136.A NH2 ASP 165.A OD2 no hydrogen 3.165 N/A LEU 139.A N ASP 135.A O no hydrogen 2.673 N/A LEU 140.A N ARG 136.A O no hydrogen 3.141 N/A ALA 143.A N LEU 139.A O no hydrogen 2.931 N/A ARG 144.A N LEU 140.A O no hydrogen 3.359 N/A SER 145.A N VAL 142.A O no hydrogen 3.219 N/A SER 145.A OG ASP 497.A OD1 no hydrogen 3.424 N/A SER 146.A OG ALA 143.A O no hydrogen 3.114 N/A LEU 147.A N ALA 143.A O no hydrogen 3.285 N/A LEU 148.A N ARG 144.A O no hydrogen 2.917 N/A THR 149.A OG1 SER 145.A O no hydrogen 3.026 N/A LYS 150.A N LEU 147.A O no hydrogen 3.310 N/A LYS 150.A NZ ASP 386.A OD2 no hydrogen 2.314 N/A LEU 159.A N LEU 155.A O no hydrogen 3.059 N/A THR 160.A OG1 THR 156.A O no hydrogen 2.399 N/A VAL 163.A N LEU 159.A O no hydrogen 3.181 N/A THR 164.A N THR 160.A O no hydrogen 3.245 N/A THR 164.A OG1 THR 160.A O no hydrogen 2.915 N/A ASP 165.A N PRO 161.A O no hydrogen 3.061 N/A ALA 166.A N ILE 162.A O no hydrogen 3.125 N/A SER 169.A N ASP 165.A O no hydrogen 3.317 N/A SER 169.A OG ASP 165.A O no hydrogen 2.540 N/A TYR 171.A OH ALA 175.A O no hydrogen 3.072 N/A HIS 181.A N ASP 179.A OD1 no hydrogen 2.969 N/A VAL 183.A N LEU 180.A O no hydrogen 3.376 N/A GLU 184.A N CYS 365.A O no hydrogen 3.390 N/A GLN 189.A NE2 HIS 374.A ND1 no hydrogen 3.562 N/A SER 192.A OG ASP 195.A OD2 no hydrogen 3.129 N/A ASP 195.A N SER 192.A O no hydrogen 3.322 N/A THR 196.A N PRO 193.A O no hydrogen 3.393 N/A THR 196.A OG1 PRO 193.A O no hydrogen 2.945 N/A ILE 199.A N THR 366.A O no hydrogen 3.153 N/A ASP 212.A N HIS 210.A ND1 no hydrogen 2.967 N/A MET 213.A N HIS 210.A O no hydrogen 3.498 N/A VAL 217.A N VAL 343.A O no hydrogen 2.867 N/A TYR 221.A N GLY 281.A O no hydrogen 3.027 N/A ASN 226.A N GLN 326.A O no hydrogen 3.027 N/A ASN 226.A ND2 ASN 327.A OD1 no hydrogen 2.409 N/A GLU 230.A N SER 228.A OG no hydrogen 3.430 N/A THR 234.A N GLU 255.A OE2 no hydrogen 3.256 N/A THR 234.A OG1 GLU 255.A OE2 no hydrogen 3.224 N/A SER 243.A N GLN 247.A OE1 no hydrogen 2.840 N/A SER 243.A OG GLN 247.A OE1 no hydrogen 2.570 N/A GLN 247.A N SER 244.A O no hydrogen 3.106 N/A LEU 251.A N GLN 247.A O no hydrogen 3.387 N/A ALA 252.A N ARG 248.A O no hydrogen 2.777 N/A ALA 253.A N ASP 249.A O no hydrogen 2.921 N/A SER 254.A OG LYS 250.A O no hydrogen 3.262 N/A ARG 256.A N ALA 252.A O no hydrogen 3.326 N/A ASP 260.A N ARG 256.A O no hydrogen 2.998 N/A ALA 261.A N LYS 257.A O no hydrogen 2.935 N/A LEU 263.A N VAL 259.A O no hydrogen 3.015 N/A LYS 264.A N ASP 260.A O no hydrogen 3.244 N/A ILE 266.A N LYS 262.A O no hydrogen 3.334 N/A ILE 267.A N LEU 263.A O no hydrogen 3.220 N/A LEU 269.A N ILE 266.A O no hydrogen 3.168 N/A LYS 270.A NZ HIS 301.A O no hydrogen 3.452 N/A CYS 274.A SG ASP 277.A OD2 no hydrogen 3.316 N/A LYS 280.A NZ PRO 278.A O no hydrogen 3.299 N/A VAL 283.A N TYR 221.A O no hydrogen 3.137 N/A ILE 284.A N LEU 304.A O no hydrogen 2.986 N/A ILE 285.A N LEU 223.A O no hydrogen 3.161 N/A ASN 286.A ND2 GLY 289.A O no hydrogen 3.175 N/A GLN 287.A NE2 ALA 309.A O no hydrogen 3.291 N/A LYS 288.A NZ ASN 226.A O no hydrogen 3.217 N/A SER 294.A N ASP 291.A O no hydrogen 3.336 N/A SER 294.A N ASP 291.A OD1 no hydrogen 3.388 N/A SER 294.A OG ASP 291.A OD1 no hydrogen 2.761 N/A PHE 298.A N SER 294.A O no hydrogen 3.131 N/A ASN 302.A N ALA 299.A O no hydrogen 3.268 N/A ILE 303.A N PHE 298.A O no hydrogen 2.864 N/A ARG 307.A NH1 ILE 290.A O no hydrogen 2.976 N/A ALA 309.A N GLN 287.A O no hydrogen 3.134 N/A ARG 312.A NH2 HIS 181.A NE2 no hydrogen 3.037 N/A GLU 315.A N ARG 312.A O no hydrogen 3.335 N/A LEU 317.A N ASN 313.A O no hydrogen 3.315 N/A GLN 318.A N MET 314.A O no hydrogen 3.403 N/A VAL 320.A N ARG 316.A O no hydrogen 2.838 N/A THR 321.A N LEU 317.A O no hydrogen 2.966 N/A THR 321.A OG1 LEU 317.A O no hydrogen 2.323 N/A GLN 326.A N ILE 224.A O no hydrogen 3.296 N/A GLN 326.A NE2 SER 328.A O no hydrogen 2.779 N/A LEU 332.A N VAL 329.A O no hydrogen 3.126 N/A SER 333.A OG ASP 331.A O no hydrogen 3.472 N/A ILE 336.A N SER 333.A O no hydrogen 3.145 N/A GLY 338.A N VAL 222.A O no hydrogen 3.040 N/A LEU 342.A N GLU 358.A OE1 no hydrogen 2.938 N/A VAL 343.A N VAL 217.A O no hydrogen 2.651 N/A GLN 345.A N THR 215.A O no hydrogen 3.264 N/A GLN 345.A NE2 GLY 208.A O no hydrogen 3.506 N/A ASN 359.A ND2 VAL 356.A O no hydrogen 2.280 N/A SER 364.A OG MET 182.A O no hydrogen 3.145 N/A CYS 365.A SG ALA 166.A O no hydrogen 3.263 N/A CYS 365.A SG SER 364.A O no hydrogen 3.187 N/A THR 366.A N ILE 199.A O no hydrogen 2.977 N/A THR 366.A OG1 GLY 201.A O no hydrogen 2.547 N/A ILE 367.A N GLU 184.A O no hydrogen 3.089 N/A ILE 369.A N MET 186.A O no hydrogen 3.084 N/A SER 372.A OG LEU 191.A O no hydrogen 2.478 N/A LEU 377.A N HIS 374.A O no hydrogen 3.272 N/A ALA 378.A N HIS 374.A O no hydrogen 3.476 N/A GLN 379.A N TYR 375.A O no hydrogen 2.893 N/A GLN 379.A NE2 LYS 150.A O no hydrogen 2.906 N/A THR 380.A OG1 ALA 376.A O no hydrogen 3.242 N/A LYS 381.A N LEU 377.A O no hydrogen 3.290 N/A ASP 382.A N ALA 378.A O no hydrogen 3.087 N/A ALA 383.A N GLN 379.A O no hydrogen 3.250 N/A VAL 384.A N THR 380.A O no hydrogen 2.990 N/A ARG 385.A N LYS 381.A O no hydrogen 3.131 N/A ARG 385.A NE LYS 381.A O no hydrogen 2.996 N/A ASP 386.A N ASP 382.A O no hydrogen 3.189 N/A GLY 387.A N ALA 383.A O no hydrogen 2.860 N/A LEU 388.A N VAL 384.A O no hydrogen 2.793 N/A ARG 389.A N ARG 385.A O no hydrogen 3.418 N/A ARG 389.A NE ARG 385.A O no hydrogen 2.808 N/A ARG 389.A NH1 ASP 73.A OD2 no hydrogen 3.381 N/A ALA 390.A N ASP 386.A O no hydrogen 3.060 N/A VAL 391.A N GLY 387.A O no hydrogen 3.145 N/A ASN 393.A ND2 ILE 75.A O no hydrogen 3.690 N/A VAL 394.A N VAL 391.A O no hydrogen 2.982 N/A LEU 395.A N VAL 391.A O no hydrogen 3.279 N/A LYS 396.A N ALA 392.A O no hydrogen 3.382 N/A ASP 397.A N ASN 393.A O no hydrogen 3.177 N/A ASN 399.A N ASP 397.A OD1 no hydrogen 3.207 N/A ASN 399.A ND2 ASP 397.A OD1 no hydrogen 3.412 N/A ILE 400.A N ILE 127.A O no hydrogen 2.765 N/A ILE 401.A N ASP 497.A O no hydrogen 2.784 N/A GLY 403.A N ILE 495.A O no hydrogen 3.218 N/A ALA 406.A N GLY 403.A O no hydrogen 3.123 N/A ILE 409.A N GLY 405.A O no hydrogen 3.348 N/A ALA 410.A N ALA 406.A O no hydrogen 3.301 N/A LEU 411.A N PHE 407.A O no hydrogen 2.888 N/A SER 412.A N TYR 408.A O no hydrogen 3.255 N/A SER 412.A OG ALA 437.A O no hydrogen 2.839 N/A ARG 413.A N ILE 409.A O no hydrogen 3.210 N/A ARG 413.A NE ASP 467.A OD1 no hydrogen 3.416 N/A ARG 413.A NH2 ASP 467.A OD1 no hydrogen 3.089 N/A TYR 414.A N ALA 410.A O no hydrogen 2.905 N/A LEU 415.A N LEU 411.A O no hydrogen 3.015 N/A SER 417.A N ARG 413.A O no hydrogen 3.494 N/A SER 417.A OG ARG 413.A O no hydrogen 3.544 N/A SER 417.A OG TYR 414.A O no hydrogen 3.470 N/A ALA 418.A N TYR 414.A O no hydrogen 2.972 N/A LYS 422.A N ALA 418.A O no hydrogen 3.069 N/A LEU 423.A N ASN 419.A O no hydrogen 3.253 N/A THR 431.A OG1 LYS 428.A O no hydrogen 2.802 N/A GLY 432.A N THR 429.A O no hydrogen 2.857 N/A ILE 433.A N THR 429.A O no hydrogen 3.058 N/A GLU 434.A N LYS 430.A O no hydrogen 2.953 N/A ALA 435.A N THR 431.A O no hydrogen 3.311 N/A PHE 436.A N GLY 432.A O no hydrogen 3.204 N/A ALA 437.A N ILE 433.A O no hydrogen 2.757 N/A GLU 438.A N GLU 434.A O no hydrogen 3.008 N/A ALA 439.A N ALA 435.A O no hydrogen 3.100 N/A THR 446.A N VAL 442.A O no hydrogen 2.636 N/A THR 446.A OG1 VAL 442.A O no hydrogen 2.580 N/A LEU 447.A N ILE 443.A O no hydrogen 3.048 N/A LYS 449.A N LYS 445.A O no hydrogen 3.118 N/A ASN 450.A N THR 446.A O no hydrogen 3.484 N/A ASN 450.A ND2 GLU 23.A O no hydrogen 3.524 N/A ASN 450.A ND2 LEU 26.A O no hydrogen 3.349 N/A SER 451.A N VAL 448.A O no hydrogen 3.198 N/A SER 451.A OG LEU 482.A O no hydrogen 3.056 N/A GLY 452.A N VAL 448.A O no hydrogen 3.282 N/A GLY 452.A N LYS 449.A O no hydrogen 3.312 N/A LEU 456.A N ASP 454.A OD1 no hydrogen 3.094 N/A ASP 457.A N ASP 454.A O no hydrogen 3.284 N/A VAL 458.A N ASP 454.A O no hydrogen 3.520 N/A LEU 459.A N PRO 455.A O no hydrogen 3.382 N/A ALA 460.A N LEU 456.A O no hydrogen 3.332 N/A MET 461.A N ASP 457.A O no hydrogen 3.123 N/A VAL 462.A N VAL 458.A O no hydrogen 3.364 N/A GLU 463.A N LEU 459.A O no hydrogen 3.283 N/A ASP 464.A N ALA 460.A O no hydrogen 3.055 N/A GLU 465.A N MET 461.A O no hydrogen 3.210 N/A LEU 466.A N VAL 462.A O no hydrogen 2.964 N/A ASP 467.A N GLU 463.A O no hydrogen 3.315 N/A ASP 468.A N ASP 464.A O no hydrogen 3.441 N/A ALA 469.A N GLU 465.A O no hydrogen 3.209 N/A SER 472.A OG ASP 468.A O no hydrogen 3.439 N/A SER 472.A OG ALA 469.A O no hydrogen 2.843 N/A SER 472.A OG GLU 474.A OE2 no hydrogen 3.001 N/A ASP 473.A N GLN 470.A O no hydrogen 3.438 N/A GLY 479.A N CYS 488.A O no hydrogen 2.689 N/A VAL 480.A N ALA 404.A O no hydrogen 3.128 N/A ASP 481.A N ASP 486.A O no hydrogen 3.038 N/A ASN 483.A N ASP 481.A OD1 no hydrogen 3.264 N/A GLY 485.A N ASP 481.A O no hydrogen 3.014 N/A SER 487.A OG GLU 465.A OE1 no hydrogen 2.694 N/A CYS 488.A N GLY 479.A O no hydrogen 2.631 N/A CYS 488.A SG GLY 479.A O no hydrogen 3.210 N/A THR 491.A N ASP 489.A OD1 no hydrogen 3.301 N/A THR 491.A OG1 ASP 489.A OD1 no hydrogen 2.861 N/A ILE 492.A N ASP 489.A O no hydrogen 3.238 N/A GLU 493.A N ASP 489.A O no hydrogen 3.079 N/A GLY 494.A N PRO 490.A O no hydrogen 3.173 N/A ASP 497.A N ILE 401.A O no hydrogen 2.400 N/A TYR 499.A OH ASP 123.A OD1 no hydrogen 2.660 N/A ARG 503.A N TYR 499.A O no hydrogen 3.062 N/A ASN 504.A ND2 ARG 500.A O no hydrogen 3.075 N/A ALA 505.A N VAL 501.A O no hydrogen 3.192 N/A ILE 506.A N LEU 502.A O no hydrogen 3.285 N/A THR 507.A N ARG 503.A O no hydrogen 3.337 N/A THR 507.A OG1 ARG 503.A O no hydrogen 3.044 N/A GLY 508.A N ASN 504.A O no hydrogen 2.812 N/A ALA 509.A N ALA 505.A O no hydrogen 3.012 N/A THR 510.A N ILE 506.A O no hydrogen 3.219 N/A THR 510.A OG1 ILE 506.A O no hydrogen 2.592 N/A GLY 511.A N THR 507.A O no hydrogen 3.325 N/A ILE 512.A N GLY 508.A O no hydrogen 3.226 N/A ALA 513.A N ALA 509.A O no hydrogen 3.303 N/A SER 514.A N THR 510.A O no hydrogen 3.138 N/A SER 514.A OG THR 510.A O no hydrogen 2.704 N/A ASN 515.A N GLY 511.A O no hydrogen 3.306 N/A LEU 516.A N ALA 513.A O no hydrogen 3.349 N/A LEU 518.A N ASN 515.A O no hydrogen 3.329 N/A CYS 519.A N LEU 516.A O no hydrogen 3.443 N/A CYS 519.A SG GLU 521.A O no hydrogen 3.502 N/A GLU 521.A N ASP 520.A OD1 no hydrogen 2.521 N/A