Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ubm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG SER 6.A O no hydrogen 3.558 N/A CYS 12.A SG THR 24.A O no hydrogen 3.734 N/A SER 14.A N ASP 13.A OD1 no hydrogen 2.660 N/A SER 14.A OG ASP 79.A OD2 no hydrogen 3.148 N/A THR 15.A N ILE 22.A O no hydrogen 3.070 N/A LEU 17.A N ARG 20.A O no hydrogen 3.076 N/A ASP 19.A N LEU 17.A O no hydrogen 2.853 N/A ARG 20.A NH1 ASP 19.A O no hydrogen 3.430 N/A VAL 21.A N TRP 468.A O no hydrogen 3.314 N/A ILE 22.A N THR 15.A O no hydrogen 3.124 N/A THR 23.A N ILE 466.A O no hydrogen 3.105 N/A THR 23.A OG1 ILE 466.A O no hydrogen 3.496 N/A THR 24.A N ASP 13.A O no hydrogen 2.956 N/A SER 25.A N VAL 464.A O no hydrogen 3.039 N/A SER 25.A OG CYS 73.A O no hydrogen 3.356 N/A THR 26.A OG1 HIS 11.A O no hydrogen 2.459 N/A THR 26.A OG1 SER 463.A OG no hydrogen 3.304 N/A ARG 27.A N VAL 462.A O no hydrogen 3.334 N/A ARG 27.A NE PRO 147.A O no hydrogen 2.952 N/A ARG 27.A NH1 THR 26.A O no hydrogen 2.968 N/A ARG 27.A NH2 PRO 147.A O no hydrogen 2.926 N/A THR 28.A OG1 GLN 461.A OE1 no hydrogen 3.391 N/A TRP 29.A N GLY 460.A O no hydrogen 2.869 N/A TRP 29.A NE1 GLN 461.A O no hydrogen 2.672 N/A LEU 31.A N SER 458.A O no hydrogen 2.900 N/A THR 33.A OG1 GLN 456.A O no hydrogen 2.963 N/A TYR 34.A OH ILE 156.A O no hydrogen 2.361 N/A ASN 35.A ND2 LEU 38.A O no hydrogen 3.687 N/A ASN 35.A ND2 SER 60.A OG no hydrogen 3.389 N/A HIS 37.A N TYR 34.A O no hydrogen 3.115 N/A TYR 39.A OH GLU 180.A OE1 no hydrogen 2.714 N/A LYS 40.A N SER 60.A O no hydrogen 3.281 N/A ILE 42.A N GLY 58.A O no hydrogen 3.096 N/A ASN 44.A N TYR 56.A O no hydrogen 3.255 N/A ASN 52.A ND2 ASN 52.A O no hydrogen 2.677 N/A GLY 58.A N ILE 42.A O no hydrogen 3.053 N/A TYR 59.A N TYR 161.A O no hydrogen 3.178 N/A SER 60.A N LYS 40.A O no hydrogen 3.016 N/A SER 60.A OG LYS 40.A O no hydrogen 3.475 N/A THR 61.A N TYR 159.A O no hydrogen 3.165 N/A THR 61.A OG1 TYR 159.A O no hydrogen 2.341 N/A GLY 64.A N ILE 432.A O no hydrogen 2.887 N/A ASN 69.A ND2 TRP 402.A O no hydrogen 3.538 N/A ARG 70.A NH1 GLN 398.A O no hydrogen 2.427 N/A PHE 71.A N GLY 399.A O no hydrogen 3.184 N/A CYS 73.A N ARG 70.A O no hydrogen 3.217 N/A CYS 73.A SG ARG 70.A O no hydrogen 3.532 N/A CYS 73.A SG LEU 146.A O no hydrogen 3.568 N/A HIS 74.A N PHE 71.A O no hydrogen 3.311 N/A PHE 75.A N PHE 71.A O no hydrogen 3.423 N/A SER 76.A OG ASP 79.A OD2 no hydrogen 2.791 N/A TRP 80.A N SER 76.A O no hydrogen 2.975 N/A GLN 81.A N PRO 77.A O no hydrogen 3.336 N/A GLN 81.A NE2 TYR 484.A O no hydrogen 3.030 N/A ARG 82.A N ARG 78.A O no hydrogen 2.889 N/A LEU 83.A N ASP 79.A O no hydrogen 3.086 N/A ILE 84.A N TRP 80.A O no hydrogen 3.313 N/A ASN 86.A ND2 ARG 82.A O no hydrogen 3.648 N/A ASN 87.A ND2 LEU 83.A O no hydrogen 3.179 N/A TRP 88.A N GLN 471.A O no hydrogen 2.963 N/A ARG 91.A N GLU 469.A O no hydrogen 3.077 N/A ARG 91.A NE GLU 469.A OE1 no hydrogen 3.048 N/A ARG 91.A NH1 VAL 202.A O no hydrogen 2.950 N/A ARG 91.A NH2 GLU 469.A OE1 no hydrogen 3.226 N/A LYS 93.A N GLU 467.A O no hydrogen 3.075 N/A LEU 95.A N TYR 197.A O no hydrogen 3.072 N/A SER 96.A N GLU 465.A O no hydrogen 2.934 N/A LEU 99.A N PHE 193.A O no hydrogen 2.825 N/A GLN 103.A N THR 459.A O no hydrogen 2.911 N/A LYS 105.A N TYR 457.A O no hydrogen 2.904 N/A LYS 105.A NZ ASN 118.A OD1 no hydrogen 2.704 N/A GLU 106.A N ALA 117.A O no hydrogen 3.099 N/A VAL 107.A N THR 455.A O no hydrogen 3.363 N/A THR 108.A N THR 115.A O no hydrogen 2.933 N/A THR 108.A OG1 GLU 106.A OE1 no hydrogen 3.364 N/A ASN 110.A N THR 113.A O no hydrogen 3.442 N/A THR 113.A N ASN 110.A O no hydrogen 3.247 N/A THR 113.A OG1 ASN 110.A O no hydrogen 2.383 N/A THR 113.A OG1 THR 113.A O no hydrogen 2.553 N/A THR 115.A N THR 108.A O no hydrogen 2.978 N/A THR 115.A OG1 THR 108.A O no hydrogen 3.510 N/A ALA 117.A N GLU 106.A O no hydrogen 3.090 N/A ASN 119.A N VAL 104.A O no hydrogen 3.120 N/A THR 121.A N ASN 119.A OD1 no hydrogen 3.481 N/A THR 121.A OG1 ASN 119.A OD1 no hydrogen 3.372 N/A THR 123.A OG1 THR 435.A OG1 no hydrogen 3.099 N/A ILE 124.A N LEU 187.A O no hydrogen 3.051 N/A GLN 125.A N LYS 433.A O no hydrogen 2.884 N/A VAL 126.A N GLN 185.A O no hydrogen 3.150 N/A PHE 127.A N LEU 431.A O no hydrogen 3.215 N/A ASP 129.A N GLN 429.A O no hydrogen 3.210 N/A TYR 132.A OH PRO 426.A O no hydrogen 2.357 N/A GLN 133.A N ASP 129.A OD2 no hydrogen 3.112 N/A TYR 136.A OH PRO 427.A O no hydrogen 3.341 N/A SER 140.A OG VAL 137.A O no hydrogen 3.338 N/A CYS 145.A SG ASP 67.A OD2 no hydrogen 3.241 N/A ASP 152.A N PHE 149.A O no hydrogen 3.332 N/A PHE 154.A N THR 28.A O no hydrogen 3.492 N/A GLN 158.A NE2 THR 61.A O no hydrogen 3.309 N/A TYR 159.A N TRP 63.A O no hydrogen 3.054 N/A TYR 159.A OH PRO 135.A O no hydrogen 3.257 N/A TYR 161.A N TYR 59.A O no hydrogen 3.255 N/A TYR 161.A OH TYR 177.A O no hydrogen 3.336 N/A THR 163.A N PHE 57.A O no hydrogen 2.968 N/A ASN 165.A ND2 GLY 167.A O no hydrogen 3.477 N/A ASN 166.A N GLN 169.A O no hydrogen 2.804 N/A GLN 169.A N ASN 166.A O no hydrogen 3.425 N/A VAL 171.A N SER 174.A OG no hydrogen 3.280 N/A SER 174.A OG VAL 171.A O no hydrogen 3.240 N/A TYR 177.A N TYR 161.A OH no hydrogen 2.767 N/A CYS 178.A SG GLU 180.A OE1 no hydrogen 3.838 N/A LEU 179.A N TYR 39.A OH no hydrogen 2.886 N/A TYR 181.A N CYS 178.A O no hydrogen 3.337 N/A GLN 185.A N VAL 126.A O no hydrogen 3.070 N/A LEU 187.A N ILE 124.A O no hydrogen 2.937 N/A ARG 188.A N ASN 191.A OD1 no hydrogen 2.796 N/A THR 189.A OG1 ILE 102.A O no hydrogen 3.047 N/A ASN 191.A N ARG 188.A O no hydrogen 3.294 N/A PHE 193.A N LEU 99.A O no hydrogen 3.030 N/A TYR 197.A N LEU 95.A O no hydrogen 3.060 N/A TYR 197.A OH TYR 132.A OH no hydrogen 3.211 N/A TYR 197.A OH HIS 425.A O no hydrogen 2.317 N/A PHE 199.A N LYS 93.A O no hydrogen 2.866 N/A HIS 205.A N PHE 90.A O no hydrogen 3.438 N/A SER 206.A OG SER 206.A O no hydrogen 2.556 N/A SER 206.A OG GLN 391.A OE1 no hydrogen 3.339 N/A SER 207.A OG ASN 87.A O no hydrogen 3.490 N/A ALA 209.A N LEU 515.A O no hydrogen 3.009 N/A SER 211.A N ARG 517.A O no hydrogen 3.083 N/A GLN 212.A NE2 ARG 216.A O no hydrogen 3.647 N/A SER 213.A OG ASP 215.A OD1 no hydrogen 2.528 N/A ARG 216.A N SER 213.A O no hydrogen 3.140 N/A ARG 216.A NH1 ASP 215.A O no hydrogen 2.838 N/A GLN 224.A N GLY 249.A O no hydrogen 3.006 N/A TYR 228.A N SER 247.A O no hydrogen 3.178 N/A SER 230.A N GLY 245.A O no hydrogen 2.975 N/A SER 230.A OG SER 247.A OG no hydrogen 3.246 N/A ARG 231.A NH1 GLN 233.A O no hydrogen 3.568 N/A THR 234.A N THR 241.A O no hydrogen 3.276 N/A THR 234.A OG1 ASN 240.A OD1 no hydrogen 3.365 N/A THR 235.A OG1 THR 235.A O no hydrogen 2.535 N/A GLY 237.A N ASN 240.A OD1 no hydrogen 3.421 N/A ASN 240.A ND2 GLY 237.A O no hydrogen 2.719 N/A THR 241.A N THR 234.A OG1 no hydrogen 3.236 N/A THR 243.A N THR 232.A O no hydrogen 2.634 N/A GLY 245.A N ARG 231.A O no hydrogen 3.029 N/A SER 247.A N TYR 228.A O no hydrogen 3.407 N/A SER 247.A OG SER 230.A OG no hydrogen 3.246 N/A GLY 250.A N THR 253.A OG1 no hydrogen 3.189 N/A ASN 256.A N THR 253.A O no hydrogen 3.007 N/A GLN 257.A NE2 GLY 250.A O no hydrogen 2.627 N/A LYS 259.A NZ GLN 257.A O no hydrogen 3.238 N/A LEU 262.A N GLY 387.A O no hydrogen 3.371 N/A CYS 266.A SG GLU 358.A O no hydrogen 3.923 N/A CYS 266.A SG ASN 380.A O no hydrogen 3.643 N/A TYR 267.A OH LYS 291.A O no hydrogen 2.929 N/A GLN 269.A N ALA 356.A O no hydrogen 3.137 N/A ARG 271.A N GLN 270.A OE1 no hydrogen 3.271 N/A VAL 272.A N PHE 318.A O no hydrogen 3.324 N/A SER 273.A N ASN 279.A OD1 no hydrogen 3.056 N/A SER 273.A OG GLN 278.A OE1 no hydrogen 3.536 N/A THR 274.A N ARG 316.A O no hydrogen 3.062 N/A THR 274.A OG1 ARG 316.A O no hydrogen 3.416 N/A THR 275.A N SER 273.A OG no hydrogen 3.109 N/A GLN 278.A N THR 275.A O no hydrogen 3.193 N/A ASN 279.A ND2 SER 273.A O no hydrogen 3.187 N/A ASN 281.A N ASN 280.A OD1 no hydrogen 2.679 N/A GLY 289.A N TRP 286.A O no hydrogen 3.321 N/A LYS 291.A NZ TRP 286.A O no hydrogen 2.528 N/A TYR 292.A N SER 299.A O no hydrogen 3.037 N/A HIS 293.A ND1 ASN 298.A OD1 no hydrogen 2.964 N/A LEU 294.A N ARG 297.A O no hydrogen 2.995 N/A ASN 298.A N ASP 53.A OD1 no hydrogen 3.182 N/A SER 299.A N TYR 292.A O no hydrogen 3.191 N/A ALA 301.A N THR 290.A O no hydrogen 3.075 N/A ALA 308.A N PRO 354.A O no hydrogen 3.029 N/A LYS 311.A NZ GLU 314.A OE1 no hydrogen 2.892 N/A LYS 311.A NZ GLU 314.A OE2 no hydrogen 2.960 N/A LYS 311.A NZ GLU 358.A OE2 no hydrogen 2.953 N/A ARG 316.A NE GLN 278.A OE1 no hydrogen 3.544 N/A PHE 317.A N GLU 314.A O no hydrogen 3.390 N/A PHE 318.A N VAL 272.A O no hydrogen 3.235 N/A SER 320.A N GLN 270.A O no hydrogen 3.214 N/A SER 320.A OG ASN 321.A OD1 no hydrogen 3.393 N/A ASN 321.A ND2 THR 290.A O no hydrogen 3.546 N/A PHE 326.A N MET 342.A O no hydrogen 3.081 N/A LYS 328.A N ASP 340.A O no hydrogen 3.149 N/A LYS 328.A NZ SER 339.A O no hydrogen 3.114 N/A GLN 329.A NE2 TYR 504.A O no hydrogen 2.855 N/A ASN 330.A N GLN 329.A OE1 no hydrogen 3.232 N/A TYR 338.A N ASP 337.A OD1 no hydrogen 2.631 N/A ASP 340.A N ASP 337.A O no hydrogen 3.077 N/A MET 342.A N PHE 326.A O no hydrogen 2.691 N/A THR 344.A OG1 LEU 324.A O no hydrogen 3.013 N/A GLU 346.A N THR 309.A OG1 no hydrogen 3.303 N/A GLU 348.A N GLU 348.A OE1 no hydrogen 2.803 N/A LYS 350.A NZ ASP 312.A OD1 no hydrogen 2.387 N/A THR 351.A OG1 GLN 212.A O no hydrogen 2.328 N/A THR 352.A N ILE 349.A O no hydrogen 3.349 N/A THR 352.A OG1 ASN 353.A OD1 no hydrogen 3.532 N/A ASN 353.A N ILE 349.A O no hydrogen 2.919 N/A ALA 356.A N ALA 308.A O no hydrogen 2.883 N/A GLU 358.A N VAL 355.A O no hydrogen 3.394 N/A GLU 359.A N GLU 359.A OE1 no hydrogen 2.695 N/A TYR 360.A N VAL 379.A O no hydrogen 3.088 N/A VAL 363.A N GLY 377.A O no hydrogen 2.830 N/A GLN 369.A N THR 372.A O no hydrogen 3.431 N/A THR 372.A OG1 ASN 371.A OD1 no hydrogen 3.422 N/A GLN 375.A N ASN 366.A OD1 no hydrogen 3.145 N/A GLY 377.A N VAL 363.A O no hydrogen 2.743 N/A VAL 379.A N GLY 361.A O no hydrogen 3.148 N/A GLN 382.A N CYS 266.A O no hydrogen 3.125 N/A VAL 389.A N LEU 262.A O no hydrogen 3.411 N/A GLN 391.A N ASN 353.A OD1 no hydrogen 3.322 N/A ARG 393.A NE LEU 417.A O no hydrogen 3.155 N/A ARG 393.A NH1 GLY 322.A O no hydrogen 3.274 N/A ARG 393.A NH2 GLY 322.A O no hydrogen 3.405 N/A VAL 395.A N ASP 394.A OD1 no hydrogen 2.609 N/A ILE 401.A N ASN 69.A OD1 no hydrogen 3.144 N/A TRP 402.A N ASN 69.A OD1 no hydrogen 3.174 N/A ILE 405.A N LEU 423.A O no hydrogen 3.010 N/A THR 408.A N PRO 406.A O no hydrogen 2.995 N/A THR 408.A OG1 GLY 410.A O no hydrogen 3.021 N/A HIS 413.A NE2 ASN 392.A OD1 no hydrogen 2.854 N/A SER 415.A N HIS 413.A O no hydrogen 2.674 N/A GLY 419.A N PRO 416.A O no hydrogen 3.120 N/A PHE 421.A N ILE 401.A O no hydrogen 2.771 N/A LEU 423.A N ALA 403.A O no hydrogen 3.326 N/A LYS 424.A N GLU 200.A OE2 no hydrogen 3.231 N/A GLN 429.A NE2 PRO 135.A O no hydrogen 3.180 N/A LEU 431.A N PHE 127.A O no hydrogen 3.090 N/A ILE 432.A N GLY 64.A O no hydrogen 2.771 N/A LYS 433.A N GLN 125.A O no hydrogen 3.150 N/A ASN 434.A ND2 SER 458.A OG no hydrogen 3.169 N/A THR 435.A N THR 123.A O no hydrogen 3.450 N/A THR 435.A OG1 THR 123.A OG1 no hydrogen 3.099 N/A ALA 439.A N SER 452.A O no hydrogen 2.917 N/A SER 448.A N ASN 446.A OD1 no hydrogen 3.420 N/A ILE 454.A N VAL 437.A O no hydrogen 3.314 N/A GLN 456.A NE2 SER 122.A OG no hydrogen 3.292 N/A TYR 457.A N LYS 105.A O no hydrogen 3.130 N/A SER 458.A N LEU 31.A O no hydrogen 3.262 N/A THR 459.A N GLN 103.A O no hydrogen 2.939 N/A THR 459.A OG1 TRP 29.A O no hydrogen 2.567 N/A GLY 460.A N TRP 29.A O no hydrogen 3.219 N/A GLN 461.A N PHE 100.A O no hydrogen 3.191 N/A SER 463.A N LYS 98.A O no hydrogen 2.968 N/A SER 463.A OG THR 26.A OG1 no hydrogen 3.304 N/A VAL 464.A N SER 25.A O no hydrogen 3.098 N/A ILE 466.A N THR 23.A O no hydrogen 3.035 N/A GLU 467.A N ARG 94.A O no hydrogen 3.054 N/A TRP 468.A N VAL 21.A O no hydrogen 2.898 N/A GLU 469.A N ARG 91.A O no hydrogen 2.683 N/A LEU 470.A N ASP 19.A O no hydrogen 3.117 N/A GLN 471.A N GLY 89.A O no hydrogen 3.113 N/A SER 475.A N GLU 473.A OE2 no hydrogen 3.098 N/A ARG 477.A NE ASN 479.A O no hydrogen 3.247 N/A ARG 477.A NE ASN 479.A OD1 no hydrogen 2.378 N/A TYR 484.A N ASN 85.A OD1 no hydrogen 3.204 N/A THR 485.A OG1 SER 486.A O no hydrogen 3.157 N/A SER 486.A OG ASN 487.A O no hydrogen 3.457 N/A SER 491.A OG SER 493.A O no hydrogen 3.368 N/A THR 512.A N ASP 394.A OD2 no hydrogen 3.216 N/A THR 512.A OG1 ASP 394.A OD1 no hydrogen 3.388 N/A THR 512.A OG1 VAL 395.A O no hydrogen 2.629 N/A ARG 513.A NE SER 206.A O no hydrogen 2.755 N/A ARG 513.A NH1 ASN 392.A O no hydrogen 3.020 N/A ARG 513.A NH2 SER 206.A O no hydrogen 3.544 N/A ARG 513.A NH2 SER 206.A OG no hydrogen 2.868 N/A ARG 513.A NH2 ASN 392.A O no hydrogen 2.714 N/A THR 516.A OG1 GLU 481.A OE1 no hydrogen 3.474 N/A THR 516.A OG1 GLU 481.A OE2 no hydrogen 3.286 N/A ARG 517.A N ALA 209.A O no hydrogen 3.325 N/A