Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8ib9_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 10.A N ASP 7.A OD1 no hydrogen 2.757 N/A ALA 11.A N ASP 7.A O no hydrogen 3.304 N/A GLU 12.A N ILE 8.A O no hydrogen 2.825 N/A PHE 14.A N ALA 11.A O no hydrogen 3.069 N/A SER 15.A N GLU 12.A O no hydrogen 2.842 N/A LYS 23.A N SER 22.A OG no hydrogen 2.495 N/A ALA 26.A N SER 22.A O no hydrogen 3.457 N/A HIS 27.A N GLU 24.A O no hydrogen 3.107 N/A TRP 28.A N THR 25.A O no hydrogen 2.827 N/A ASP 35.A N PRO 32.A O no hydrogen 3.055 N/A THR 43.A N THR 40.A OG1 no hydrogen 3.373 N/A THR 43.A OG1 THR 40.A O no hydrogen 2.971 N/A LEU 44.A N LEU 61.A O no hydrogen 2.737 N/A PHE 46.A N LEU 59.A O no hydrogen 3.315 N/A ALA 52.A N HIS 50.A ND1 no hydrogen 2.924 N/A ALA 53.A N HIS 50.A O no hydrogen 3.170 N/A LEU 61.A N LEU 44.A O no hydrogen 3.410 N/A SER 64.A OG MET 67.A O no hydrogen 3.568 N/A MET 67.A N SER 64.A O no hydrogen 3.050 N/A VAL 68.A N HIS 404.A O no hydrogen 2.596 N/A ARG 69.A N GLU 62.A O no hydrogen 3.099 N/A CYS 71.A SG SER 401.A OG no hydrogen 3.440 N/A ASP 72.A N VAL 60.A O no hydrogen 3.461 N/A HIS 74.A N ARG 58.A O no hydrogen 2.738 N/A GLY 76.A N ASP 424.A OD1 no hydrogen 2.685 N/A LEU 78.A N ASP 424.A OD2 no hydrogen 2.622 N/A HIS 79.A N GLY 76.A O no hydrogen 3.192 N/A ARG 80.A NH2 ARG 100.A O no hydrogen 3.299 N/A LYS 84.A N GLY 81.A O no hydrogen 2.806 N/A LEU 85.A N GLY 81.A O no hydrogen 2.919 N/A GLU 87.A N LYS 84.A O no hydrogen 3.113 N/A TYR 88.A N LEU 85.A O no hydrogen 2.957 N/A LYS 89.A N ILE 86.A O no hydrogen 2.927 N/A THR 90.A OG1 GLU 349.A O no hydrogen 3.349 N/A THR 90.A OG1 SER 379.A O no hydrogen 3.147 N/A THR 90.A OG1 SER 379.A OG no hydrogen 2.850 N/A TYR 91.A N SER 379.A O no hydrogen 3.340 N/A GLN 93.A N THR 90.A O no hydrogen 3.137 N/A ALA 94.A N TYR 91.A O no hydrogen 3.308 N/A TYR 97.A N ALA 94.A O no hydrogen 3.141 N/A PHE 98.A N LEU 95.A O no hydrogen 3.041 N/A ARG 100.A N TYR 97.A O no hydrogen 3.010 N/A ARG 100.A NH1 PRO 96.A O no hydrogen 2.481 N/A LEU 101.A N PHE 98.A O no hydrogen 3.282 N/A SER 105.A OG ASP 102.A O no hydrogen 3.071 N/A SER 105.A OG ASP 102.A OD2 no hydrogen 2.744 N/A SER 105.A OG ASN 109.A OD1 no hydrogen 3.270 N/A CYS 108.A SG GLY 137.A O no hydrogen 3.072 N/A ASN 109.A ND2 PHE 98.A O no hydrogen 3.110 N/A ASN 109.A ND2 ASP 102.A O no hydrogen 2.527 N/A GLN 111.A N MET 107.A O no hydrogen 3.062 N/A ALA 112.A N ASN 109.A O no hydrogen 2.975 N/A TYR 113.A N ASN 109.A O no hydrogen 3.458 N/A TYR 113.A OH TYR 91.A O no hydrogen 2.542 N/A SER 114.A N GLU 110.A O no hydrogen 2.856 N/A SER 114.A OG GLU 118.A OE2 no hydrogen 2.650 N/A SER 114.A OG ARG 190.A O no hydrogen 3.035 N/A ILE 115.A N GLN 111.A O no hydrogen 2.746 N/A ALA 116.A N ALA 112.A O no hydrogen 3.011 N/A VAL 117.A N TYR 113.A O no hydrogen 2.785 N/A GLU 118.A N SER 114.A O no hydrogen 2.820 N/A LYS 119.A N ILE 115.A O no hydrogen 2.853 N/A LYS 119.A NZ THR 360.A OG1 no hydrogen 2.918 N/A LEU 120.A N ALA 116.A O no hydrogen 3.145 N/A LEU 121.A N VAL 117.A O no hydrogen 3.122 N/A ASN 122.A N LYS 119.A O no hydrogen 2.750 N/A ILE 123.A N GLU 118.A O no hydrogen 2.959 N/A ARG 128.A NE ASP 197.A OD1 no hydrogen 2.866 N/A ARG 128.A NH1 ASP 197.A OD1 no hydrogen 2.949 N/A ARG 128.A NH2 PRO 314.A O no hydrogen 3.279 N/A GLN 130.A N PRO 126.A O no hydrogen 3.258 N/A TRP 131.A N PRO 127.A O no hydrogen 3.326 N/A ILE 132.A N ARG 128.A O no hydrogen 3.000 N/A ARG 133.A N ALA 129.A O no hydrogen 2.954 N/A ARG 133.A NH2 SER 114.A OG no hydrogen 2.591 N/A ARG 133.A NH2 GLU 118.A OE2 no hydrogen 2.640 N/A VAL 134.A N GLN 130.A O no hydrogen 3.031 N/A LEU 135.A N TRP 131.A O no hydrogen 2.641 N/A PHE 136.A N ILE 132.A O no hydrogen 2.686 N/A GLU 138.A N VAL 134.A O no hydrogen 2.932 N/A ILE 139.A N LEU 135.A O no hydrogen 3.079 N/A THR 140.A N PHE 136.A O no hydrogen 3.121 N/A THR 140.A OG1 PHE 136.A O no hydrogen 2.569 N/A THR 140.A OG1 TYR 176.A OH no hydrogen 2.389 N/A ARG 141.A N GLY 137.A O no hydrogen 3.143 N/A ARG 141.A NH1 GLU 138.A OE2 no hydrogen 2.545 N/A ILE 142.A N GLU 138.A O no hydrogen 2.982 N/A LEU 143.A N ILE 139.A O no hydrogen 3.062 N/A ASN 144.A N THR 140.A O no hydrogen 2.944 N/A HIS 145.A N ARG 141.A O no hydrogen 2.916 N/A ILE 146.A N ILE 142.A O no hydrogen 2.818 N/A MET 147.A N LEU 143.A O no hydrogen 3.152 N/A ALA 148.A N ASN 144.A O no hydrogen 2.646 N/A VAL 149.A N HIS 145.A O no hydrogen 2.759 N/A THR 150.A N ILE 146.A O no hydrogen 3.132 N/A THR 150.A OG1 ILE 146.A O no hydrogen 2.608 N/A THR 151.A N MET 147.A O no hydrogen 2.916 N/A THR 151.A OG1 MET 147.A O no hydrogen 3.181 N/A HIS 152.A N ALA 148.A O no hydrogen 3.004 N/A ALA 153.A N VAL 149.A O no hydrogen 3.128 N/A LEU 154.A N THR 150.A O no hydrogen 2.980 N/A ASP 155.A N THR 151.A O no hydrogen 3.264 N/A ILE 156.A N HIS 152.A O no hydrogen 3.033 N/A GLY 157.A N ALA 153.A O no hydrogen 2.610 N/A TRP 164.A N THR 160.A O no hydrogen 3.031 N/A MET 165.A N PRO 161.A O no hydrogen 3.027 N/A PHE 166.A N PHE 162.A O no hydrogen 2.780 N/A GLU 167.A N PHE 163.A O no hydrogen 3.434 N/A ARG 169.A N MET 165.A O no hydrogen 2.786 N/A GLU 170.A N PHE 166.A O no hydrogen 2.755 N/A LYS 171.A N GLU 167.A O no hydrogen 3.088 N/A MET 172.A N GLU 168.A O no hydrogen 3.043 N/A PHE 173.A N ARG 169.A O no hydrogen 2.870 N/A GLU 174.A N GLU 170.A O no hydrogen 3.182 N/A PHE 175.A N MET 172.A O no hydrogen 2.535 N/A TYR 176.A N MET 172.A O no hydrogen 3.229 N/A TYR 176.A OH THR 140.A OG1 no hydrogen 2.389 N/A GLU 177.A N PHE 173.A O no hydrogen 2.833 N/A ARG 178.A N GLU 174.A O no hydrogen 2.911 N/A ARG 178.A NH1 ASP 205.A OD2 no hydrogen 2.722 N/A VAL 179.A N PHE 175.A O no hydrogen 2.896 N/A VAL 179.A N TYR 176.A O no hydrogen 2.905 N/A SER 180.A N TYR 176.A O no hydrogen 2.580 N/A SER 180.A OG TYR 176.A O no hydrogen 2.934 N/A ALA 182.A N SER 180.A OG no hydrogen 2.980 N/A ARG 183.A NH2 GLU 170.A OE1 no hydrogen 2.515 N/A TYR 188.A OH GLN 196.A O no hydrogen 2.478 N/A ARG 190.A N GLY 193.A O no hydrogen 2.871 N/A ARG 190.A NE ALA 187.A O no hydrogen 3.442 N/A GLY 193.A N ARG 190.A O no hydrogen 3.200 N/A VAL 194.A N ILE 318.A O no hydrogen 3.105 N/A HIS 195.A N TYR 188.A O no hydrogen 2.830 N/A LEU 198.A N ASP 197.A OD1 no hydrogen 2.636 N/A LEU 202.A N PRO 199.A O no hydrogen 3.538 N/A ASP 205.A N LEU 202.A O no hydrogen 2.767 N/A ILE 206.A N LEU 202.A O no hydrogen 2.912 N/A TYR 207.A N ASP 204.A O no hydrogen 3.090 N/A GLU 208.A N ASP 204.A O no hydrogen 3.147 N/A PHE 209.A N ASP 205.A O no hydrogen 3.108 N/A SER 210.A OG ILE 206.A O no hydrogen 3.001 N/A SER 210.A OG TYR 207.A O no hydrogen 2.615 N/A LYS 211.A N TYR 207.A O no hydrogen 2.679 N/A LYS 211.A NZ ASN 212.A OD1 no hydrogen 3.044 N/A ASN 212.A N PHE 209.A O no hydrogen 2.868 N/A PHE 213.A N PHE 209.A O no hydrogen 2.745 N/A LEU 215.A N ASN 212.A O no hydrogen 2.773 N/A ARG 216.A NH2 GLU 219.A OE1 no hydrogen 3.510 N/A ILE 217.A N PHE 213.A O no hydrogen 3.061 N/A ASP 218.A N SER 214.A O no hydrogen 2.813 N/A GLU 219.A N LEU 215.A O no hydrogen 2.798 N/A VAL 220.A N ARG 216.A O no hydrogen 3.251 N/A GLU 221.A N ILE 217.A O no hydrogen 3.059 N/A GLU 222.A N ASP 218.A O no hydrogen 2.989 N/A MET 223.A N GLU 219.A O no hydrogen 3.163 N/A MET 223.A N VAL 220.A O no hydrogen 2.694 N/A LEU 224.A N VAL 220.A O no hydrogen 2.891 N/A LEU 224.A N GLU 221.A O no hydrogen 2.832 N/A THR 225.A N GLU 221.A O no hydrogen 3.008 N/A THR 225.A OG1 ASN 226.A OD1 no hydrogen 2.892 N/A THR 225.A OG1 TYR 289.A OH no hydrogen 3.251 N/A ASN 227.A N LEU 224.A O no hydrogen 3.178 N/A ARG 231.A N ASN 227.A O no hydrogen 3.433 N/A ARG 233.A N ILE 229.A O no hydrogen 3.358 N/A THR 234.A N TRP 230.A O no hydrogen 3.067 N/A THR 234.A N ARG 231.A O no hydrogen 3.005 N/A THR 234.A OG1 TRP 230.A O no hydrogen 2.838 N/A THR 234.A OG1 ARG 231.A O no hydrogen 3.275 N/A VAL 235.A N ARG 231.A O no hydrogen 2.460 N/A ILE 237.A N THR 234.A O no hydrogen 3.253 N/A ALA 245.A N THR 241.A O no hydrogen 3.202 N/A LEU 246.A N ALA 242.A O no hydrogen 3.290 N/A ASN 247.A N GLU 243.A O no hydrogen 3.019 N/A TYR 248.A N ASP 244.A O no hydrogen 2.921 N/A GLY 249.A N LEU 246.A O no hydrogen 3.050 N/A PHE 250.A N ALA 245.A O no hydrogen 3.001 N/A SER 251.A OG GLY 249.A O no hydrogen 3.352 N/A SER 251.A OG PHE 250.A O no hydrogen 2.746 N/A SER 251.A OG SER 251.A O no hydrogen 2.661 N/A LEU 255.A N GLY 252.A O no hydrogen 3.210 N/A ARG 256.A N GLY 252.A O no hydrogen 3.054 N/A ARG 256.A NH1 TRP 262.A O no hydrogen 3.266 N/A ARG 256.A NH2 GLU 298.A OE2 no hydrogen 2.678 N/A GLY 257.A N VAL 253.A O no hydrogen 2.448 N/A SER 258.A N LEU 255.A O no hydrogen 2.876 N/A SER 258.A OG VAL 240.A O no hydrogen 2.712 N/A SER 258.A OG MET 254.A O no hydrogen 3.436 N/A GLY 259.A N ARG 256.A O no hydrogen 2.983 N/A LEU 264.A N GLU 363.A OE2 no hydrogen 2.534 N/A ARG 265.A NE ASP 263.A OD1 no hydrogen 3.428 N/A ARG 265.A NE ASP 263.A OD2 no hydrogen 3.095 N/A ARG 265.A NH1 GLU 138.A OE1 no hydrogen 3.387 N/A ARG 265.A NH2 ASP 263.A OD2 no hydrogen 2.520 N/A LYS 266.A N ASP 263.A O no hydrogen 2.687 N/A LYS 266.A NZ PHE 278.A O no hydrogen 3.054 N/A THR 267.A N ASP 263.A O no hydrogen 2.891 N/A THR 267.A OG1 ASP 263.A O no hydrogen 3.126 N/A GLN 268.A N LEU 264.A O no hydrogen 2.860 N/A TYR 273.A N TYR 270.A O no hydrogen 3.408 N/A GLN 275.A N VAL 272.A O no hydrogen 2.878 N/A GLU 277.A N GLN 308.A OE1 no hydrogen 3.303 N/A ASP 279.A N GLN 301.A OE1 no hydrogen 3.102 N/A ILE 282.A N VAL 280.A O no hydrogen 3.221 N/A GLY 283.A N ARG 256.A O no hydrogen 3.072 N/A ARG 285.A NH2 ASP 236.A OD1 no hydrogen 2.892 N/A CYS 288.A N ILE 237.A O no hydrogen 3.114 N/A CYS 288.A SG ILE 237.A O no hydrogen 3.190 N/A CYS 288.A SG THR 415.A OG1 no hydrogen 3.615 N/A TYR 289.A OH THR 225.A O no hydrogen 2.519 N/A TYR 289.A OH THR 225.A OG1 no hydrogen 3.251 N/A ASP 290.A N ASP 287.A OD1 no hydrogen 2.761 N/A ARG 291.A N ASP 287.A O no hydrogen 3.046 N/A TYR 292.A N CYS 288.A O no hydrogen 3.028 N/A TYR 292.A OH GLU 221.A OE1 no hydrogen 2.606 N/A LEU 293.A N TYR 289.A O no hydrogen 2.999 N/A CYS 294.A N ASP 290.A O no hydrogen 3.017 N/A CYS 294.A SG PRO 281.A O no hydrogen 3.194 N/A CYS 294.A SG ASP 290.A O no hydrogen 3.477 N/A ARG 295.A N ARG 291.A O no hydrogen 2.907 N/A ARG 295.A NH1 GLY 414.A O no hydrogen 3.324 N/A VAL 296.A N TYR 292.A O no hydrogen 2.966 N/A GLU 297.A N LEU 293.A O no hydrogen 2.873 N/A GLU 298.A N CYS 294.A O no hydrogen 2.887 N/A MET 299.A N ARG 295.A O no hydrogen 3.100 N/A ARG 300.A N VAL 296.A O no hydrogen 3.039 N/A ARG 300.A NH1 ASP 218.A OD1 no hydrogen 2.790 N/A ARG 300.A NH2 ASP 218.A OD1 no hydrogen 2.418 N/A GLN 301.A N GLU 297.A O no hydrogen 2.761 N/A GLN 301.A NE2 GLU 297.A OE2 no hydrogen 2.987 N/A SER 302.A N GLU 298.A O no hydrogen 2.721 N/A SER 302.A OG GLU 298.A O no hydrogen 2.900 N/A SER 302.A OG MET 299.A O no hydrogen 2.673 N/A LEU 303.A N MET 299.A O no hydrogen 3.289 N/A ARG 304.A N ARG 300.A O no hydrogen 3.368 N/A ARG 304.A NH1 ASP 279.A OD2 no hydrogen 2.978 N/A ARG 304.A NH1 GLN 301.A OE1 no hydrogen 3.061 N/A ILE 305.A N GLN 301.A O no hydrogen 3.033 N/A ILE 306.A N SER 302.A O no hydrogen 2.743 N/A GLU 307.A N LEU 303.A O no hydrogen 2.988 N/A GLN 308.A N ARG 304.A O no hydrogen 3.357 N/A CYS 309.A N ILE 305.A O no hydrogen 2.985 N/A CYS 309.A SG ILE 305.A O no hydrogen 3.173 N/A LEU 310.A N ILE 306.A O no hydrogen 3.012 N/A ASN 311.A N GLU 307.A O no hydrogen 2.908 N/A ASN 311.A ND2 GLU 307.A OE1 no hydrogen 3.403 N/A LYS 312.A N GLN 308.A O no hydrogen 2.695 N/A LYS 312.A NZ GLN 275.A O no hydrogen 3.404 N/A LYS 319.A NZ HIS 195.A O no hydrogen 3.128 N/A VAL 320.A N GLY 192.A O no hydrogen 3.163 N/A LYS 324.A N ASP 322.A OD1 no hydrogen 3.333 N/A LYS 324.A NZ HIS 342.A NE2 no hydrogen 2.547 N/A VAL 325.A N ASP 322.A O no hydrogen 2.784 N/A SER 326.A N ASP 322.A O no hydrogen 2.859 N/A SER 326.A OG VAL 320.A O no hydrogen 2.478 N/A SER 326.A OG ASP 322.A O no hydrogen 3.183 N/A MET 333.A N LYS 329.A O no hydrogen 3.015 N/A LYS 334.A N ALA 331.A O no hydrogen 3.304 N/A THR 335.A N GLU 332.A O no hydrogen 3.050 N/A THR 335.A OG1 ALA 331.A O no hydrogen 2.821 N/A THR 335.A OG1 GLU 332.A O no hydrogen 3.517 N/A SER 336.A N GLU 332.A O no hydrogen 2.720 N/A SER 336.A OG GLU 332.A O no hydrogen 2.498 N/A SER 336.A OG SER 339.A OG no hydrogen 2.487 N/A SER 339.A OG SER 336.A OG no hydrogen 2.487 N/A LEU 340.A N SER 336.A O no hydrogen 3.105 N/A ILE 341.A N MET 337.A O no hydrogen 2.984 N/A HIS 342.A N GLU 338.A O no hydrogen 2.982 N/A HIS 343.A N SER 339.A O no hydrogen 2.764 N/A PHE 344.A N LEU 340.A O no hydrogen 2.664 N/A LYS 345.A N ILE 341.A O no hydrogen 2.887 N/A LEU 346.A N HIS 342.A O no hydrogen 3.026 N/A TYR 347.A N HIS 343.A O no hydrogen 3.116 N/A THR 348.A N PHE 344.A O no hydrogen 3.014 N/A THR 348.A OG1 PHE 344.A O no hydrogen 2.925 N/A THR 348.A OG1 LYS 345.A O no hydrogen 3.450 N/A GLU 349.A N LYS 345.A O no hydrogen 2.774 N/A GLY 350.A N LYS 345.A O no hydrogen 3.201 N/A GLY 356.A N SER 375.A O no hydrogen 2.873 N/A TYR 359.A OH GLU 368.A OE2 no hydrogen 3.306 N/A THR 360.A N VAL 371.A O no hydrogen 3.385 N/A ILE 362.A N PHE 369.A O no hydrogen 3.048 N/A GLU 363.A N TYR 270.A OH no hydrogen 2.887 N/A LYS 366.A NZ ASP 417.A O no hydrogen 2.768 N/A GLU 368.A N SER 251.A O no hydrogen 3.089 N/A GLY 370.A N LYS 387.A O no hydrogen 3.314 N/A VAL 371.A N THR 360.A O no hydrogen 3.243 N/A TYR 372.A N LYS 385.A O no hydrogen 2.894 N/A LEU 373.A N THR 358.A O no hydrogen 3.002 N/A SER 375.A N GLY 356.A O no hydrogen 2.806 N/A SER 375.A OG PRO 354.A O no hydrogen 3.405 N/A SER 375.A OG GLY 356.A O no hydrogen 3.030 N/A SER 378.A OG ARG 380.A O no hydrogen 3.030 N/A SER 379.A OG THR 90.A OG1 no hydrogen 2.850 N/A SER 379.A OG GLU 349.A O no hydrogen 2.653 N/A TYR 382.A N VAL 374.A O no hydrogen 3.190 N/A ARG 383.A N VAL 374.A O no hydrogen 3.365 N/A CYS 384.A SG GLU 83.A O no hydrogen 3.652 N/A LYS 385.A NZ GLU 83.A OE2 no hydrogen 3.351 N/A LYS 387.A N GLY 370.A O no hydrogen 2.608 N/A PHE 391.A N ALA 388.A O no hydrogen 3.122 N/A LEU 394.A N GLY 390.A O no hydrogen 2.953 N/A ALA 395.A N PHE 391.A O no hydrogen 3.431 N/A GLY 396.A N ALA 392.A O no hydrogen 3.302 N/A LEU 397.A N LEU 394.A O no hydrogen 2.545 N/A ASP 398.A N ALA 395.A O no hydrogen 3.452 N/A MET 400.A N GLY 396.A O no hydrogen 2.769 N/A MET 400.A N LEU 397.A O no hydrogen 3.296 N/A SER 401.A N LEU 397.A O no hydrogen 2.835 N/A SER 401.A OG LEU 397.A O no hydrogen 2.708 N/A SER 401.A OG SER 401.A O no hydrogen 2.680 N/A LYS 402.A N MET 400.A O no hydrogen 3.057 N/A MET 405.A N ASP 408.A OD2 no hydrogen 3.279 N/A VAL 409.A N MET 405.A O no hydrogen 3.310 N/A VAL 409.A N LEU 406.A O no hydrogen 3.095 N/A VAL 410.A N LEU 406.A O no hydrogen 3.447 N/A ALA 411.A N ALA 407.A O no hydrogen 3.149 N/A ILE 412.A N ASP 408.A O no hydrogen 2.975 N/A ILE 413.A N VAL 409.A O no hydrogen 3.074 N/A GLY 414.A N VAL 410.A O no hydrogen 3.409 N/A THR 415.A N ALA 411.A O no hydrogen 3.169 N/A THR 415.A N ILE 412.A O no hydrogen 3.020 N/A THR 415.A OG1 ILE 412.A O no hydrogen 2.911 N/A GLN 416.A N ILE 413.A O no hydrogen 3.325 N/A ASP 417.A N GLY 414.A O no hydrogen 3.291 N/A GLU 422.A N VAL 419.A O no hydrogen 3.098 N/A ASP 424.A N PHE 420.A O no hydrogen 2.859 N/A ARG 425.A N GLY 421.A O no hydrogen 2.825 N/A