Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w3k_x.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH THR 22.A OG1 no hydrogen 2.840 N/A SER 5.A OG SER 5.A O no hydrogen 2.562 N/A VAL 6.A N TYR 4.A O no hydrogen 3.012 N/A THR 7.A OG1 PHE 15.A O no hydrogen 2.714 N/A VAL 8.A N PHE 15.A O no hydrogen 2.862 N/A TRP 10.A N GLU 13.A O no hydrogen 2.773 N/A GLU 13.A N TRP 10.A O no hydrogen 3.243 N/A PHE 15.A N VAL 8.A O no hydrogen 2.637 N/A ASN 21.A ND2 GLU 24.A OE2 no hydrogen 2.939 N/A THR 22.A OG1 TYR 4.A OH no hydrogen 2.840 N/A THR 22.A OG1 TRP 58.A O no hydrogen 3.129 N/A ASP 23.A N ASN 21.A OD1 no hydrogen 3.254 N/A LYS 30.A N PRO 26.A O no hydrogen 2.884 N/A LYS 30.A NZ GLN 44.A O no hydrogen 3.118 N/A ALA 31.A N MET 27.A O no hydrogen 2.892 N/A GLN 32.A N VAL 28.A O no hydrogen 2.870 N/A LEU 33.A N PHE 29.A O no hydrogen 2.954 N/A PHE 34.A N LYS 30.A O no hydrogen 2.875 N/A ALA 35.A N ALA 31.A O no hydrogen 2.886 N/A LEU 36.A N GLN 32.A O no hydrogen 2.916 N/A THR 37.A N LEU 33.A O no hydrogen 2.400 N/A THR 37.A OG1 LEU 33.A O no hydrogen 2.889 N/A GLY 38.A N PHE 34.A O no hydrogen 3.130 N/A VAL 39.A N THR 37.A OG1 no hydrogen 3.184 N/A GLN 40.A N GLN 40.A OE1 no hydrogen 2.856 N/A GLN 40.A NE2 ASP 76.A O no hydrogen 3.169 N/A ARG 43.A NH2 ASP 76.A O no hydrogen 3.199 N/A ARG 43.A NH2 ALA 77.A O no hydrogen 2.943 N/A GLN 44.A N PRO 41.A O no hydrogen 3.189 N/A GLY 51.A N LYS 49.A O no hydrogen 2.751 N/A LYS 54.A NZ ASP 56.A OD1 no hydrogen 2.425 N/A ASP 57.A N ASP 57.A OD1 no hydrogen 2.487 N/A LYS 62.A NZ ILE 63.A O no hydrogen 2.449 N/A THR 68.A OG1 GLY 66.A O no hydrogen 3.561 N/A SER 74.A OG ASP 76.A OD1 no hydrogen 2.275 N/A THR 93.A OG1 GLU 90.A O no hydrogen 2.762 N/A THR 93.A OG1 GLN 96.A OE1 no hydrogen 3.516 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.686 N/A ALA 98.A N GLU 94.A O no hydrogen 2.932 N/A SER 99.A N GLU 95.A O no hydrogen 2.857 N/A SER 99.A OG GLU 95.A O no hydrogen 2.833 N/A ALA 100.A N GLN 96.A O no hydrogen 2.929 N/A MET 101.A N LEU 97.A O no hydrogen 2.885 N/A GLU 102.A N ALA 98.A O no hydrogen 3.399 N/A CYS 105.A SG GLY 106.A O no hydrogen 3.275 N/A CYS 105.A SG SER 167.A O no hydrogen 3.348 N/A THR 108.A N SER 169.A OG no hydrogen 3.212 N/A THR 108.A OG1 SER 169.A OG no hydrogen 2.590 N/A LEU 110.A N THR 113.A OG1 no hydrogen 3.238 N/A GLY 111.A N ASN 109.A OD1 no hydrogen 3.060 N/A THR 113.A N ASN 109.A OD1 no hydrogen 3.163 N/A THR 113.A OG1 ASN 109.A OD1 no hydrogen 2.456 N/A ASN 117.A N THR 113.A O no hydrogen 3.365 N/A ALA 118.A N CYS 114.A O no hydrogen 2.932 N/A THR 119.A N TYR 115.A O no hydrogen 2.890 N/A THR 119.A OG1 TYR 115.A O no hydrogen 2.705 N/A VAL 120.A N MET 116.A O no hydrogen 2.908 N/A GLN 121.A N ASN 117.A O no hydrogen 2.953 N/A CYS 122.A N ALA 118.A O no hydrogen 2.898 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.243 N/A ILE 123.A N THR 119.A O no hydrogen 2.880 N/A ARG 124.A N VAL 120.A O no hydrogen 2.922 N/A ARG 124.A NH1 ASP 164.A OD1 no hydrogen 2.823 N/A ARG 124.A NH1 ASP 164.A OD2 no hydrogen 3.557 N/A ARG 124.A NH2 ASP 164.A OD1 no hydrogen 3.146 N/A ARG 124.A NH2 ASP 164.A OD2 no hydrogen 3.019 N/A SER 125.A N GLN 121.A O no hydrogen 2.888 N/A SER 125.A OG CYS 122.A O no hydrogen 2.365 N/A VAL 126.A N ILE 123.A O no hydrogen 3.250 N/A LYS 130.A NZ PHE 160.A O no hydrogen 3.546 N/A LYS 130.A NZ ASP 164.A OD2 no hydrogen 2.846 N/A ASP 131.A N PRO 127.A O no hydrogen 2.912 N/A ALA 132.A N GLU 128.A O no hydrogen 2.900 N/A LEU 133.A N LEU 129.A O no hydrogen 2.909 N/A LYS 134.A N LYS 130.A O no hydrogen 2.878 N/A ARG 135.A N ASP 131.A O no hydrogen 3.360 N/A TYR 136.A N LEU 133.A O no hydrogen 3.103 N/A TYR 136.A OH GLN 150.A O no hydrogen 2.389 N/A GLN 150.A N ALA 147.A O no hydrogen 3.202 N/A TYR 151.A OH GLU 145.A OE2 no hydrogen 3.161 N/A ILE 152.A N SER 148.A O no hydrogen 2.952 N/A THR 153.A N ALA 149.A O no hydrogen 2.878 N/A THR 153.A OG1 ALA 149.A O no hydrogen 2.806 N/A ALA 155.A N TYR 151.A O no hydrogen 2.862 N/A LEU 156.A N ILE 152.A O no hydrogen 2.888 N/A ARG 157.A N THR 153.A O no hydrogen 2.912 N/A ASP 158.A N ALA 154.A O no hydrogen 2.909 N/A LEU 159.A N ALA 155.A O no hydrogen 2.910 N/A PHE 160.A N LEU 156.A O no hydrogen 2.862 N/A ASP 161.A N ARG 157.A O no hydrogen 2.926 N/A SER 162.A N ASP 158.A O no hydrogen 2.900 N/A SER 162.A OG ASP 158.A O no hydrogen 2.991 N/A MET 163.A N LEU 159.A O no hydrogen 2.864 N/A LYS 165.A N SER 162.A O no hydrogen 3.299 N/A THR 166.A OG1 SER 168.A O no hydrogen 3.324 N/A THR 166.A OG1 SER 168.A OG no hydrogen 3.428 N/A SER 168.A N THR 166.A OG1 no hydrogen 3.159 N/A SER 168.A OG THR 166.A OG1 no hydrogen 3.428 N/A SER 169.A OG THR 108.A OG1 no hydrogen 2.590 N/A ILE 173.A N PRO 171.A O no hydrogen 2.948 N/A LEU 176.A N PRO 172.A O no hydrogen 2.703 N/A GLN 177.A N ILE 173.A O no hydrogen 2.901 N/A PHE 178.A N ILE 174.A O no hydrogen 2.916 N/A LEU 179.A N LEU 175.A O no hydrogen 2.858 N/A HIS 180.A N LEU 176.A O no hydrogen 2.916 N/A MET 181.A N GLN 177.A O no hydrogen 2.917 N/A ALA 182.A N PHE 178.A O no hydrogen 2.920 N/A PHE 183.A N LEU 179.A O no hydrogen 3.287 N/A GLN 185.A N GLN 185.A OE1 no hydrogen 2.683 N/A PHE 186.A N PHE 183.A O no hydrogen 3.210 N/A ALA 187.A N PHE 183.A O no hydrogen 3.218 N/A GLY 190.A N GLN 194.A O no hydrogen 2.400 N/A GLY 193.A N GLY 190.A O no hydrogen 3.146 N/A TYR 195.A OH HIS 180.A NE2 no hydrogen 2.616 N/A GLN 198.A NE2 LEU 196.A O no hydrogen 2.793 N/A ASN 201.A N ASP 199.A OD1 no hydrogen 3.269 N/A ASN 201.A ND2 GLN 274.A OE1 no hydrogen 3.108 N/A CYS 203.A SG THR 119.A OG1 no hydrogen 3.587 N/A TRP 204.A N ALA 200.A O no hydrogen 2.886 N/A ILE 205.A N ASN 201.A O no hydrogen 2.919 N/A GLN 206.A N GLU 202.A O no hydrogen 2.880 N/A MET 207.A N CYS 203.A O no hydrogen 2.890 N/A MET 208.A N TRP 204.A O no hydrogen 3.483 N/A ARG 209.A N ILE 205.A O no hydrogen 2.928 N/A ARG 209.A NE GLN 213.A OE1 no hydrogen 3.464 N/A VAL 210.A N GLN 206.A O no hydrogen 2.886 N/A LEU 211.A N MET 207.A O no hydrogen 2.908 N/A GLN 212.A N MET 208.A O no hydrogen 2.896 N/A GLN 213.A N ARG 209.A O no hydrogen 2.896 N/A LEU 215.A N VAL 210.A O no hydrogen 2.632 N/A VAL 223.A N ASP 220.A O no hydrogen 3.390 N/A LYS 224.A NZ SER 228.A O no hydrogen 2.591 N/A GLU 225.A N ASP 221.A O no hydrogen 3.399 N/A THR 226.A N VAL 223.A O no hydrogen 3.270 N/A THR 226.A OG1 SER 222.A O no hydrogen 2.680 N/A THR 226.A OG1 VAL 223.A O no hydrogen 2.871 N/A SER 228.A OG SER 228.A O no hydrogen 2.545 N/A SER 228.A OG THR 235.A OG1 no hydrogen 2.698 N/A SER 232.A OG ALA 231.A O no hydrogen 2.748 N/A THR 235.A N ALA 233.A O no hydrogen 2.838 N/A THR 235.A OG1 SER 228.A OG no hydrogen 2.698 N/A THR 235.A OG1 PRO 236.A O no hydrogen 3.312 N/A LYS 238.A NZ LYS 239.A O no hydrogen 3.396 N/A ILE 243.A N SER 241.A OG no hydrogen 3.274 N/A PHE 246.A N LEU 242.A O no hydrogen 2.907 N/A PHE 251.A N GLU 270.A O no hydrogen 3.023 N/A GLU 252.A N LYS 316.A O no hydrogen 3.278 N/A THR 253.A OG1 GLY 268.A O no hydrogen 2.874 N/A THR 254.A N SER 314.A O no hydrogen 2.806 N/A THR 254.A OG1 SER 314.A O no hydrogen 3.122 N/A THR 258.A OG1 GLU 259.A OE1 no hydrogen 3.470 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.896 N/A SER 260.A OG GLU 262.A OE2 no hydrogen 3.364 N/A SER 260.A OG GLU 263.A OE2 no hydrogen 3.552 N/A GLU 262.A N GLU 262.A OE1 no hydrogen 2.742 N/A LYS 267.A NZ THR 253.A O no hydrogen 2.988 N/A LYS 269.A NZ ASN 271.A OD1 no hydrogen 2.474 N/A SER 276.A OG GLN 327.A OE1 no hydrogen 3.023 N/A CYS 277.A SG PHE 278.A O no hydrogen 3.842 N/A VAL 283.A N ASN 280.A O no hydrogen 3.091 N/A LYS 284.A NZ GLN 281.A O no hydrogen 3.550 N/A GLY 289.A N TYR 285.A O no hydrogen 2.927 N/A LEU 290.A N LEU 286.A O no hydrogen 2.895 N/A LYS 291.A N PHE 287.A O no hydrogen 2.906 N/A LEU 292.A N THR 288.A O no hydrogen 2.927 N/A ARG 293.A N GLY 289.A O no hydrogen 2.872 N/A ARG 293.A NE SER 276.A O no hydrogen 2.529 N/A LEU 294.A N LEU 290.A O no hydrogen 2.950 N/A GLN 295.A NE2 LEU 292.A O no hydrogen 2.451 N/A THR 299.A OG1 ALA 309.A O no hydrogen 2.429 N/A SER 302.A N ARG 307.A O no hydrogen 3.452 N/A LEU 305.A N SER 302.A OG no hydrogen 3.102 N/A GLN 306.A N SER 302.A O no hydrogen 3.281 N/A GLN 306.A NE2 PRO 303.A O no hydrogen 3.220 N/A TYR 311.A OH GLU 263.A OE1 no hydrogen 2.681 N/A LYS 313.A NZ GLU 270.A OE2 no hydrogen 3.119 N/A SER 314.A N THR 254.A O no hydrogen 3.137 N/A SER 318.A N GLU 250.A O no hydrogen 3.215 N/A SER 318.A OG GLU 250.A O no hydrogen 3.187 N/A ARG 319.A NH1 GLY 411.A O no hydrogen 3.093 N/A ARG 319.A NH2 GLY 411.A O no hydrogen 3.205 N/A ALA 322.A N PHE 246.A O no hydrogen 3.292 N/A ILE 326.A N LEU 478.A O no hydrogen 3.332 N/A MET 328.A N TYR 476.A O no hydrogen 3.277 N/A ARG 330.A NH1 LYS 345.A O no hydrogen 2.753 N/A PHE 332.A N ALA 341.A O no hydrogen 3.189 N/A TYR 333.A OH SER 338.A OG no hydrogen 3.080 N/A LYS 334.A N VAL 339.A O no hydrogen 2.718 N/A GLU 335.A N GLU 335.A OE1 no hydrogen 2.881 N/A SER 338.A OG TYR 333.A OH no hydrogen 3.080 N/A VAL 339.A N LYS 334.A O no hydrogen 2.954 N/A LYS 342.A NZ HIS 426.A NE2 no hydrogen 3.148 N/A LYS 342.A NZ GLY 428.A O no hydrogen 2.849 N/A LYS 342.A NZ SER 430.A O no hydrogen 3.291 N/A VAL 343.A N ARG 330.A O no hydrogen 3.153 N/A LYS 345.A NZ ASN 280.A O no hydrogen 2.670 N/A LYS 345.A NZ VAL 283.A O no hydrogen 2.958 N/A GLU 357.A N GLU 357.A OE1 no hydrogen 3.002 N/A LEU 358.A N MET 355.A O no hydrogen 3.306 N/A CYS 359.A N TYR 356.A O no hydrogen 3.489 N/A CYS 359.A SG MET 355.A O no hydrogen 3.410 N/A THR 360.A OG1 GLU 362.A OE2 no hydrogen 3.254 N/A GLU 362.A N GLU 362.A OE1 no hydrogen 2.805 N/A GLN 364.A N THR 360.A O no hydrogen 2.593 N/A GLN 364.A NE2 TYR 356.A O no hydrogen 3.243 N/A GLU 365.A N PRO 361.A O no hydrogen 2.893 N/A LYS 366.A N GLU 362.A O no hydrogen 2.935 N/A LYS 366.A NZ ASP 408.A OD1 no hydrogen 3.027 N/A MET 367.A N LEU 363.A O no hydrogen 2.860 N/A VAL 368.A N GLN 364.A O no hydrogen 2.893 N/A SER 369.A N GLU 365.A O no hydrogen 2.931 N/A SER 369.A OG GLU 365.A O no hydrogen 3.233 N/A SER 369.A OG LYS 366.A O no hydrogen 2.564 N/A ARG 371.A N MET 367.A O no hydrogen 2.831 N/A ARG 371.A NE CYS 415.A O no hydrogen 2.631 N/A ARG 371.A NH1 ASP 354.A OD1 no hydrogen 3.565 N/A ARG 371.A NH1 ASP 354.A OD2 no hydrogen 3.223 N/A ARG 371.A NH2 ASP 354.A OD1 no hydrogen 2.825 N/A ARG 371.A NH2 CYS 415.A O no hydrogen 2.891 N/A SER 372.A N VAL 368.A O no hydrogen 2.924 N/A SER 372.A OG VAL 368.A O no hydrogen 2.860 N/A PHE 374.A N PHE 370.A O no hydrogen 2.926 N/A LYS 375.A N ARG 371.A O no hydrogen 2.881 N/A ASP 376.A N SER 372.A O no hydrogen 2.888 N/A LEU 377.A N SER 372.A O no hydrogen 3.454 N/A ASP 379.A N LYS 375.A O no hydrogen 2.866 N/A LYS 380.A N ASP 376.A O no hydrogen 2.927 N/A LYS 381.A N GLU 378.A O no hydrogen 3.288 N/A VAL 382.A N GLU 378.A O no hydrogen 2.910 N/A GLN 385.A NE2 LYS 381.A O no hydrogen 3.652 N/A ASN 387.A ND2 GLU 493.A OE2 no hydrogen 3.151 N/A LYS 397.A N GLN 396.A OE1 no hydrogen 3.271 N/A GLU 402.A N VAL 485.A O no hydrogen 2.745 N/A SER 405.A OG SER 412.A O no hydrogen 2.783 N/A PHE 406.A N SER 412.A OG no hydrogen 3.205 N/A GLY 411.A N SER 405.A OG no hydrogen 2.920 N/A SER 412.A OG ASP 409.A O no hydrogen 3.283 N/A ASN 413.A ND2 TYR 417.A O no hydrogen 3.081 N/A CYS 415.A N ASN 414.A OD1 no hydrogen 2.735 N/A CYS 415.A SG ASN 413.A OD1 no hydrogen 3.966 N/A CYS 415.A SG ASN 414.A OD1 no hydrogen 3.942 N/A CYS 415.A SG ARG 483.A O no hydrogen 3.905 N/A TYR 418.A N LEU 353.A O no hydrogen 3.398 N/A TYR 418.A OH PRO 321.A O no hydrogen 2.557 N/A ASP 419.A N GLY 481.A O no hydrogen 2.525 N/A GLN 421.A N LEU 479.A O no hydrogen 3.523 N/A ALA 422.A N LEU 479.A O no hydrogen 3.467 N/A VAL 423.A N TRP 439.A O no hydrogen 2.780 N/A LEU 424.A N VAL 477.A O no hydrogen 3.020 N/A THR 425.A N VAL 437.A O no hydrogen 2.741 N/A THR 425.A OG1 VAL 437.A O no hydrogen 2.561 N/A HIS 426.A N ILE 474.A O no hydrogen 3.116 N/A GLN 427.A N HIS 435.A O no hydrogen 3.137 N/A GLN 427.A NE2 ASP 471.A O no hydrogen 2.472 N/A ARG 429.A NE ASP 471.A OD2 no hydrogen 2.947 N/A ARG 429.A NH2 ASP 471.A OD2 no hydrogen 2.657 N/A HIS 435.A N GLN 427.A O no hydrogen 3.059 N/A VAL 437.A N THR 425.A O no hydrogen 2.674 N/A TRP 439.A N VAL 423.A O no hydrogen 2.677 N/A VAL 440.A N ILE 448.A O no hydrogen 3.053 N/A LYS 441.A N GLN 421.A O no hydrogen 2.837 N/A ARG 442.A NH2 GLU 102.A O no hydrogen 2.715 N/A LYS 443.A N GLU 446.A O no hydrogen 2.873 N/A GLN 444.A N GLN 444.A OE1 no hydrogen 2.640 N/A ILE 448.A N VAL 440.A O no hydrogen 2.972 N/A LYS 449.A N SER 456.A O no hydrogen 3.338 N/A PHE 450.A N SER 438.A O no hydrogen 3.013 N/A LYS 454.A N ASP 451.A O no hydrogen 3.058 N/A VAL 458.A N TRP 447.A O no hydrogen 3.267 N/A THR 459.A OG1 GLU 461.A OE1 no hydrogen 3.474 N/A GLU 461.A N GLU 461.A OE1 no hydrogen 2.777 N/A ASP 462.A N THR 459.A O no hydrogen 3.082 N/A ASP 462.A N THR 459.A OG1 no hydrogen 3.378 N/A LEU 464.A N PRO 460.A O no hydrogen 2.923 N/A ARG 465.A N GLU 461.A O no hydrogen 2.885 N/A LEU 466.A N ILE 463.A O no hydrogen 3.264 N/A SER 467.A N LEU 464.A O no hydrogen 3.488 N/A SER 467.A OG LEU 464.A O no hydrogen 3.215 N/A GLY 468.A N ARG 465.A O no hydrogen 3.494 N/A TYR 476.A N LEU 424.A O no hydrogen 2.734 N/A VAL 477.A N LEU 424.A O no hydrogen 3.055 N/A LEU 479.A N ALA 422.A O no hydrogen 3.108 N/A TYR 480.A OH PRO 350.A O no hydrogen 2.300 N/A ARG 483.A N TYR 417.A O no hydrogen 3.015 N/A ARG 484.A NH1 GLU 402.A O no hydrogen 2.747 N/A ILE 487.A N LYS 400.A O no hydrogen 3.252 N/A SER 492.A N GLU 490.A O no hydrogen 2.863 N/A