Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 9.A OG ASN 191.A O no hydrogen 3.559 N/A ASN 11.A ND2 GLY 10.A O no hydrogen 3.199 N/A CYS 14.A SG THR 26.A O no hydrogen 3.608 N/A ASP 15.A N THR 26.A O no hydrogen 3.048 N/A SER 16.A OG ASP 79.A OD2 no hydrogen 3.116 N/A LEU 19.A N ARG 22.A O no hydrogen 2.745 N/A ARG 22.A NE GLU 468.A OE2 no hydrogen 2.972 N/A ARG 22.A NH1 ASP 21.A OD2 no hydrogen 3.486 N/A VAL 23.A N TRP 469.A O no hydrogen 2.859 N/A ILE 24.A N GLN 17.A O no hydrogen 3.489 N/A THR 25.A N ILE 467.A O no hydrogen 2.782 N/A THR 25.A OG1 ILE 467.A O no hydrogen 3.133 N/A THR 26.A N ASP 15.A O no hydrogen 2.842 N/A THR 26.A OG1 ASP 15.A O no hydrogen 3.319 N/A SER 27.A N VAL 465.A O no hydrogen 3.068 N/A SER 27.A OG CYS 73.A O no hydrogen 2.999 N/A THR 28.A OG1 HIS 13.A O no hydrogen 2.719 N/A THR 28.A OG1 SER 464.A OG no hydrogen 3.313 N/A ARG 29.A N VAL 463.A O no hydrogen 3.079 N/A TRP 31.A N GLY 461.A O no hydrogen 2.901 N/A ALA 32.A N PHE 154.A O no hydrogen 3.039 N/A LEU 33.A N SER 459.A O no hydrogen 2.840 N/A THR 35.A OG1 GLN 457.A O no hydrogen 2.813 N/A TYR 36.A OH VAL 156.A O no hydrogen 2.733 N/A HIS 39.A N TYR 36.A O no hydrogen 3.200 N/A LEU 40.A N ASN 37.A O no hydrogen 2.938 N/A LYS 42.A N SER 60.A O no hydrogen 2.895 N/A ILE 44.A N GLY 58.A O no hydrogen 2.969 N/A SER 46.A N TYR 56.A O no hydrogen 2.958 N/A SER 46.A OG HIS 55.A ND1 no hydrogen 2.877 N/A SER 46.A OG TYR 56.A O no hydrogen 3.402 N/A SER 51.A OG ASN 54.A OD1 no hydrogen 2.925 N/A HIS 55.A ND1 SER 46.A OG no hydrogen 2.877 N/A GLY 58.A N ILE 44.A O no hydrogen 2.963 N/A TYR 59.A N TYR 161.A O no hydrogen 3.172 N/A SER 60.A N LYS 42.A O no hydrogen 2.659 N/A SER 60.A OG ASN 37.A OD1 no hydrogen 2.907 N/A SER 60.A OG GLN 158.A OE1 no hydrogen 3.099 N/A THR 61.A N TYR 159.A O no hydrogen 3.103 N/A THR 61.A OG1 TYR 159.A O no hydrogen 2.730 N/A TRP 63.A NE1 GLU 180.A OE1 no hydrogen 2.724 N/A GLY 64.A N ILE 433.A O no hydrogen 2.646 N/A TYR 65.A N PRO 157.A O no hydrogen 3.320 N/A PHE 66.A N ILE 431.A O no hydrogen 3.217 N/A ASN 69.A N ASP 67.A OD2 no hydrogen 3.007 N/A PHE 71.A N GLY 400.A O no hydrogen 3.246 N/A CYS 73.A N ARG 70.A O no hydrogen 3.051 N/A CYS 73.A SG LEU 146.A O no hydrogen 3.439 N/A HIS 74.A N PHE 71.A O no hydrogen 2.963 N/A HIS 74.A NE2 PHE 68.A O no hydrogen 2.932 N/A PHE 75.A N PHE 71.A O no hydrogen 3.031 N/A SER 76.A N ASP 79.A OD2 no hydrogen 3.467 N/A SER 76.A OG ASP 79.A OD2 no hydrogen 2.795 N/A ARG 78.A NH1 GLN 81.A OE1 no hydrogen 2.892 N/A ASP 79.A N SER 76.A OG no hydrogen 3.235 N/A TRP 80.A N SER 76.A O no hydrogen 2.906 N/A GLN 81.A N PRO 77.A O no hydrogen 3.109 N/A GLN 81.A NE2 TYR 485.A O no hydrogen 2.879 N/A ARG 82.A N ARG 78.A O no hydrogen 3.093 N/A LEU 83.A N ASP 79.A O no hydrogen 2.871 N/A ILE 84.A N TRP 80.A O no hydrogen 2.877 N/A ASN 85.A N GLN 81.A O no hydrogen 2.930 N/A ASN 85.A ND2 TYR 485.A O no hydrogen 3.259 N/A ASN 86.A N LEU 83.A O no hydrogen 3.360 N/A ASN 86.A ND2 ARG 82.A O no hydrogen 2.847 N/A ASN 87.A N LEU 83.A O no hydrogen 3.271 N/A ASN 87.A ND2 LEU 83.A O no hydrogen 2.972 N/A GLY 89.A N GLN 472.A O no hydrogen 3.378 N/A ARG 91.A N GLU 470.A O no hydrogen 3.018 N/A LYS 93.A N GLU 468.A O no hydrogen 2.811 N/A LYS 94.A NZ GLU 468.A OE1 no hydrogen 3.491 N/A SER 96.A N GLU 466.A O no hydrogen 2.759 N/A SER 96.A OG GLU 466.A OE1 no hydrogen 3.423 N/A PHE 97.A N PHE 195.A O no hydrogen 2.695 N/A LYS 98.A N SER 464.A O no hydrogen 2.828 N/A LEU 99.A N PHE 193.A O no hydrogen 2.962 N/A PHE 100.A N GLN 462.A O no hydrogen 3.141 N/A ASN 101.A N SER 9.A OG no hydrogen 2.952 N/A ASN 101.A ND2 GLY 10.A O no hydrogen 3.671 N/A GLN 103.A N THR 460.A O no hydrogen 2.723 N/A LYS 105.A N TYR 458.A O no hydrogen 2.920 N/A GLU 106.A N ALA 117.A O no hydrogen 3.148 N/A VAL 107.A N THR 456.A O no hydrogen 3.100 N/A THR 108.A N THR 115.A O no hydrogen 3.018 N/A THR 108.A OG1 THR 115.A OG1 no hydrogen 3.004 N/A ASN 110.A N THR 113.A O no hydrogen 3.466 N/A THR 115.A N THR 108.A O no hydrogen 3.095 N/A THR 115.A OG1 THR 108.A O no hydrogen 3.258 N/A THR 115.A OG1 THR 108.A OG1 no hydrogen 3.004 N/A ALA 117.A N GLU 106.A O no hydrogen 3.263 N/A ASN 119.A N VAL 104.A O no hydrogen 3.076 N/A ASN 119.A ND2 GLN 457.A OE1 no hydrogen 3.469 N/A THR 121.A OG1 ASN 119.A OD1 no hydrogen 3.245 N/A SER 122.A N ASN 119.A O no hydrogen 3.146 N/A THR 123.A OG1 THR 436.A OG1 no hydrogen 2.920 N/A VAL 124.A N LEU 187.A O no hydrogen 2.879 N/A GLN 125.A N LYS 434.A O no hydrogen 2.920 N/A GLN 125.A NE2 THR 436.A OG1 no hydrogen 2.878 N/A VAL 126.A N GLN 185.A O no hydrogen 2.939 N/A PHE 127.A N MET 432.A O no hydrogen 3.403 N/A THR 128.A OG1 SER 130.A OG no hydrogen 3.352 N/A ASP 129.A N GLN 430.A O no hydrogen 2.896 N/A SER 130.A OG THR 128.A O no hydrogen 3.370 N/A SER 130.A OG THR 128.A OG1 no hydrogen 3.352 N/A TYR 132.A OH PRO 427.A O no hydrogen 2.548 N/A GLN 133.A N ASP 129.A OD2 no hydrogen 2.801 N/A LEU 134.A N ASP 129.A OD1 no hydrogen 3.181 N/A LEU 134.A N ASP 129.A OD2 no hydrogen 3.491 N/A TYR 136.A OH PRO 428.A O no hydrogen 2.756 N/A CYS 145.A SG ASP 67.A OD1 no hydrogen 3.169 N/A ASP 152.A N PHE 149.A O no hydrogen 3.166 N/A PHE 154.A N THR 30.A O no hydrogen 3.316 N/A VAL 156.A N ALA 32.A O no hydrogen 2.829 N/A TYR 159.A N TRP 63.A O no hydrogen 2.863 N/A TYR 159.A OH PRO 135.A O no hydrogen 2.839 N/A TYR 161.A N TYR 59.A O no hydrogen 3.344 N/A TYR 161.A OH TYR 177.A O no hydrogen 2.930 N/A THR 163.A N PHE 57.A O no hydrogen 2.949 N/A THR 163.A OG1 SER 175.A O no hydrogen 3.417 N/A ASN 165.A ND2 THR 163.A O no hydrogen 3.596 N/A ASN 166.A N GLN 169.A O no hydrogen 2.808 N/A SER 174.A N VAL 171.A O no hydrogen 3.190 N/A SER 174.A OG LEU 164.A O no hydrogen 2.547 N/A SER 174.A OG VAL 171.A O no hydrogen 3.259 N/A TYR 177.A N TYR 161.A OH no hydrogen 2.713 N/A LEU 179.A N TYR 41.A OH no hydrogen 2.834 N/A TYR 181.A N CYS 178.A O no hydrogen 3.141 N/A SER 184.A OG GLN 125.A OE1 no hydrogen 3.458 N/A GLN 185.A N VAL 126.A O no hydrogen 2.830 N/A GLN 185.A NE2 ASN 192.A O no hydrogen 3.441 N/A LEU 187.A N VAL 124.A O no hydrogen 2.705 N/A ASN 191.A N ARG 188.A O no hydrogen 2.984 N/A PHE 193.A N LEU 99.A O no hydrogen 2.899 N/A PHE 195.A N PHE 97.A O no hydrogen 2.934 N/A TYR 197.A N LEU 95.A O no hydrogen 3.098 N/A TYR 197.A OH HIS 426.A O no hydrogen 2.588 N/A PHE 199.A N LYS 93.A O no hydrogen 2.898 N/A HIS 205.A N PHE 90.A O no hydrogen 3.100 N/A SER 206.A OG GLN 392.A OE1 no hydrogen 3.065 N/A SER 207.A N TRP 88.A O no hydrogen 3.043 N/A SER 207.A N HIS 205.A O no hydrogen 3.180 N/A SER 207.A OG THR 513.A OG1 no hydrogen 3.409 N/A ALA 209.A N LEU 516.A O no hydrogen 2.638 N/A SER 211.A N ARG 518.A O no hydrogen 3.077 N/A SER 211.A OG ASN 519.A OD1 no hydrogen 3.424 N/A SER 213.A OG ASP 215.A OD1 no hydrogen 2.810 N/A LEU 214.A N THR 352.A O no hydrogen 3.386 N/A ARG 216.A NH1 ASP 215.A O no hydrogen 3.495 N/A LEU 221.A N ASN 219.A OD1 no hydrogen 2.735 N/A GLN 224.A N ALA 250.A O no hydrogen 2.945 N/A GLN 224.A NE2 ALA 259.A O no hydrogen 3.342 N/A TYR 228.A N SER 248.A O no hydrogen 3.052 N/A ASN 230.A N LEU 246.A O no hydrogen 3.388 N/A ASN 230.A ND2 LEU 246.A O no hydrogen 3.178 N/A ARG 231.A N LEU 246.A O no hydrogen 3.431 N/A ARG 231.A NE GLY 234.A O no hydrogen 3.367 N/A ARG 231.A NH2 GLY 234.A O no hydrogen 3.321 N/A THR 235.A OG1 GLN 233.A O no hydrogen 2.531 N/A ARG 244.A N THR 232.A O no hydrogen 3.166 N/A LEU 246.A N ARG 231.A O no hydrogen 3.038 N/A SER 248.A N TYR 228.A O no hydrogen 2.834 N/A SER 248.A OG ASN 230.A OD1 no hydrogen 2.933 N/A GLN 249.A NE2 ASP 223.A OD2 no hydrogen 3.399 N/A ALA 250.A N LEU 226.A O no hydrogen 3.434 N/A GLY 251.A N SER 254.A OG no hydrogen 2.736 N/A SER 254.A OG GLY 251.A O no hydrogen 3.146 N/A LEU 257.A N SER 254.A O no hydrogen 3.436 N/A ALA 259.A N GLN 224.A OE1 no hydrogen 3.092 N/A ARG 260.A NE GLN 258.A O no hydrogen 3.331 N/A ARG 260.A NE ALA 259.A O no hydrogen 3.453 N/A ARG 260.A NH2 GLN 258.A O no hydrogen 2.994 N/A LEU 263.A N GLY 388.A O no hydrogen 2.985 N/A GLY 265.A N THR 353.A O no hydrogen 3.064 N/A CYS 267.A N GLN 383.A O no hydrogen 3.484 N/A ARG 269.A N ASN 381.A O no hydrogen 3.325 N/A ARG 269.A NE THR 358.A O no hydrogen 2.823 N/A ARG 269.A NH1 ASN 381.A OD1 no hydrogen 3.117 N/A ARG 269.A NH2 THR 358.A O no hydrogen 3.532 N/A GLN 270.A N ALA 357.A O no hydrogen 2.720 N/A LEU 273.A N PHE 319.A O no hydrogen 2.992 N/A SER 274.A N ASN 280.A OD1 no hydrogen 3.076 N/A THR 276.A N SER 274.A OG no hydrogen 3.195 N/A ASN 278.A N THR 276.A O no hydrogen 2.630 N/A ASP 279.A N THR 276.A O no hydrogen 3.141 N/A ASN 280.A ND2 SER 274.A O no hydrogen 3.117 N/A SER 283.A N ASN 281.A O no hydrogen 2.706 N/A SER 283.A OG ASN 281.A OD1 no hydrogen 2.722 N/A SER 291.A OG ARG 269.A O no hydrogen 2.694 N/A LYS 292.A NZ ASP 299.A OD2 no hydrogen 3.309 N/A TYR 293.A N SER 300.A O no hydrogen 2.844 N/A LEU 295.A N ARG 298.A O no hydrogen 3.070 N/A ARG 298.A N LEU 295.A O no hydrogen 2.960 N/A ASP 299.A N ASP 53.A OD1 no hydrogen 3.141 N/A SER 300.A N TYR 293.A O no hydrogen 2.671 N/A VAL 302.A N SER 291.A O no hydrogen 3.250 N/A ALA 309.A N PRO 355.A O no hydrogen 2.887 N/A SER 310.A N GLU 347.A O no hydrogen 3.395 N/A PHE 319.A N LEU 273.A O no hydrogen 3.060 N/A MET 321.A N GLN 271.A O no hydrogen 2.620 N/A GLY 323.A N PRO 320.A O no hydrogen 3.163 N/A ASN 324.A ND2 THR 345.A OG1 no hydrogen 3.301 N/A PHE 327.A N MET 343.A O no hydrogen 2.891 N/A LYS 329.A N ASN 341.A O no hydrogen 3.278 N/A THR 332.A OG1 LYS 329.A O no hydrogen 3.503 N/A THR 332.A OG1 GLY 331.A O no hydrogen 2.610 N/A ASN 341.A N GLU 338.A O no hydrogen 3.033 N/A MET 343.A N PHE 327.A O no hydrogen 2.702 N/A THR 345.A OG1 LEU 325.A O no hydrogen 2.565 N/A GLU 347.A N SER 310.A OG no hydrogen 3.306 N/A ARG 351.A NE HIS 311.A O no hydrogen 3.533 N/A ARG 351.A NH2 HIS 311.A NE2 no hydrogen 2.805 N/A THR 353.A N ILE 350.A O no hydrogen 3.351 N/A ASN 354.A N ILE 350.A O no hydrogen 2.975 N/A ALA 357.A N ALA 309.A O no hydrogen 2.682 N/A TYR 361.A N VAL 380.A O no hydrogen 3.083 N/A VAL 364.A N ARG 378.A O no hydrogen 3.054 N/A ASN 367.A ND2 ALA 374.A O no hydrogen 2.808 N/A SER 370.A N THR 373.A O no hydrogen 3.004 N/A ASN 372.A N SER 370.A OG no hydrogen 3.330 N/A THR 373.A N SER 370.A O no hydrogen 3.232 N/A THR 373.A N SER 370.A OG no hydrogen 3.320 N/A THR 376.A N ASN 367.A OD1 no hydrogen 2.868 N/A THR 376.A OG1 ALA 374.A O no hydrogen 3.456 N/A ARG 378.A N VAL 364.A O no hydrogen 2.837 N/A VAL 380.A N GLY 362.A O no hydrogen 3.239 N/A GLN 383.A N CYS 267.A O no hydrogen 3.443 N/A MET 389.A N LEU 386.A O no hydrogen 3.031 N/A VAL 390.A N LEU 263.A O no hydrogen 3.066 N/A GLN 392.A NE2 TRP 391.A O no hydrogen 3.679 N/A ARG 394.A NH1 GLY 323.A O no hydrogen 3.200 N/A ARG 394.A NH2 GLY 305.A O no hydrogen 2.982 N/A GLN 399.A NE2 GLU 507.A OE1 no hydrogen 2.850 N/A GLY 400.A N TYR 397.A O no hydrogen 2.645 N/A TRP 403.A NE1 TYR 136.A OH no hydrogen 3.033 N/A ALA 404.A N PHE 422.A O no hydrogen 3.076 N/A ILE 406.A N LEU 424.A O no hydrogen 2.942 N/A THR 409.A N PRO 407.A O no hydrogen 3.111 N/A THR 409.A OG1 GLY 411.A O no hydrogen 2.980 N/A SER 416.A N HIS 414.A O no hydrogen 2.537 N/A SER 416.A OG ASP 393.A OD2 no hydrogen 3.211 N/A GLY 420.A N PRO 417.A O no hydrogen 2.725 N/A PHE 422.A N ILE 402.A O no hydrogen 2.955 N/A LEU 424.A N ALA 404.A O no hydrogen 2.877 N/A LYS 425.A NZ HIS 412.A NE2 no hydrogen 3.437 N/A HIS 426.A N GLU 200.A OE2 no hydrogen 2.698 N/A GLN 430.A NE2 PRO 135.A O no hydrogen 3.318 N/A MET 432.A N PHE 127.A O no hydrogen 2.868 N/A ILE 433.A N GLY 64.A O no hydrogen 3.078 N/A LYS 434.A N GLN 125.A O no hydrogen 3.167 N/A ASN 435.A ND2 LEU 33.A O no hydrogen 3.401 N/A ASN 435.A ND2 GLN 457.A O no hydrogen 3.451 N/A THR 436.A N THR 123.A O no hydrogen 3.232 N/A THR 436.A OG1 THR 123.A O no hydrogen 3.226 N/A THR 436.A OG1 THR 123.A OG1 no hydrogen 2.920 N/A ALA 440.A N SER 453.A O no hydrogen 2.806 N/A ALA 449.A N SER 447.A OG no hydrogen 3.256 N/A ILE 455.A N VAL 438.A O no hydrogen 2.770 N/A GLN 457.A NE2 SER 122.A OG no hydrogen 3.242 N/A TYR 458.A N LYS 105.A O no hydrogen 2.813 N/A SER 459.A N LEU 33.A O no hydrogen 2.933 N/A SER 459.A OG ASN 435.A OD1 no hydrogen 2.976 N/A THR 460.A N GLN 103.A O no hydrogen 2.884 N/A THR 460.A OG1 TRP 31.A O no hydrogen 2.970 N/A GLY 461.A N TRP 31.A O no hydrogen 3.244 N/A GLN 462.A N PHE 100.A O no hydrogen 3.031 N/A VAL 463.A N ARG 29.A O no hydrogen 3.026 N/A SER 464.A N LYS 98.A O no hydrogen 2.723 N/A SER 464.A OG SER 27.A O no hydrogen 3.547 N/A SER 464.A OG THR 28.A OG1 no hydrogen 3.313 N/A VAL 465.A N SER 27.A O no hydrogen 2.823 N/A GLU 466.A N SER 96.A O no hydrogen 2.859 N/A ILE 467.A N THR 25.A O no hydrogen 2.858 N/A GLU 468.A N LYS 94.A O no hydrogen 3.371 N/A TRP 469.A N VAL 23.A O no hydrogen 2.738 N/A TRP 469.A NE1 THR 25.A OG1 no hydrogen 2.944 N/A GLU 470.A N ARG 91.A O no hydrogen 2.884 N/A LEU 471.A N ASP 21.A O no hydrogen 3.283 N/A GLN 472.A N GLY 89.A O no hydrogen 2.801 N/A SER 476.A N GLU 474.A OE2 no hydrogen 3.158 N/A ARG 478.A N SER 476.A OG no hydrogen 3.251 N/A ARG 478.A NE THR 517.A OG1 no hydrogen 3.225 N/A ARG 478.A NH1 ASN 480.A O no hydrogen 3.363 N/A ARG 478.A NH2 THR 517.A OG1 no hydrogen 2.978 N/A GLN 484.A NE2 ASN 85.A O no hydrogen 3.434 N/A TYR 485.A N ASN 85.A OD1 no hydrogen 3.117 N/A THR 486.A OG1 SER 487.A O no hydrogen 2.995 N/A SER 492.A OG ASN 494.A O no hydrogen 3.140 N/A THR 498.A OG1 VAL 495.A O no hydrogen 3.228 N/A THR 498.A OG1 ASP 496.A O no hydrogen 3.523 N/A THR 498.A OG1 PHE 497.A O no hydrogen 2.638 N/A ASN 502.A N ASP 500.A OD1 no hydrogen 3.202 N/A VAL 504.A N ASP 500.A OD1 no hydrogen 2.937 N/A SER 506.A OG THR 498.A O no hydrogen 3.344 N/A THR 513.A OG1 SER 207.A OG no hydrogen 3.409 N/A ARG 514.A NH1 ARG 394.A O no hydrogen 2.823 N/A ARG 514.A NH2 ASP 393.A O no hydrogen 2.847 N/A ARG 514.A NH2 ARG 394.A O no hydrogen 2.609 N/A THR 517.A N GLU 482.A OE1 no hydrogen 2.687 N/A ARG 518.A N ALA 209.A O no hydrogen 3.123 N/A