Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8t4b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N THR 429.A O no hydrogen 2.861 N/A THR 5.A N ALA 427.A O no hydrogen 2.891 N/A THR 5.A OG1 THR 429.A OG1 no hydrogen 2.409 N/A TYR 7.A N GLY 425.A O no hydrogen 2.877 N/A GLY 9.A N PRO 423.A O no hydrogen 2.768 N/A VAL 12.A N VAL 10.A O no hydrogen 2.832 N/A TRP 13.A NE1 GLU 51.A OE2 no hydrogen 2.812 N/A LYS 14.A N LYS 420.A O no hydrogen 2.896 N/A THR 19.A N THR 18.A OG1 no hydrogen 2.773 N/A LEU 20.A N GLN 63.A OE1 no hydrogen 3.082 N/A PHE 21.A N CYS 168.A O no hydrogen 2.955 N/A ALA 23.A N HIS 166.A O no hydrogen 2.847 N/A SER 24.A N VAL 35.A O no hydrogen 3.003 N/A SER 24.A OG PRO 164.A O no hydrogen 3.335 N/A ASN 27.A ND2 GLU 161.A O no hydrogen 3.041 N/A VAL 28.A N SER 159.A O no hydrogen 3.146 N/A TRP 29.A N ASN 27.A OD1 no hydrogen 3.009 N/A ALA 30.A N ASN 27.A O no hydrogen 3.135 N/A CYS 34.A N HIS 32.A O no hydrogen 2.896 N/A VAL 35.A N CYS 22.A O no hydrogen 3.086 N/A ASN 40.A N ASP 38.A OD1 no hydrogen 3.032 N/A GLN 42.A N GLN 196.A OE1 no hydrogen 3.110 N/A GLN 42.A NE2 ASN 40.A O no hydrogen 3.116 N/A ILE 44.A N THR 194.A O no hydrogen 2.912 N/A LEU 46.A N VAL 192.A O no hydrogen 3.181 N/A PHE 53.A N GLY 187.A O no hydrogen 2.935 N/A MET 55.A N GLY 185.A O no hydrogen 2.992 N/A TRP 56.A N ASN 54.A OD1 no hydrogen 3.040 N/A LYS 57.A N ASN 54.A O no hydrogen 3.289 N/A ASN 58.A ND2 TYR 416.A O no hydrogen 2.640 N/A MET 60.A N ASN 58.A OD1 no hydrogen 3.028 N/A VAL 61.A N ASN 58.A O no hydrogen 3.241 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.472 N/A GLN 63.A N ASN 59.A O no hydrogen 3.438 N/A GLN 63.A NE2 LEU 20.A O no hydrogen 2.576 N/A GLN 63.A NE2 ASP 67.A OD2 no hydrogen 3.471 N/A MET 64.A N MET 60.A O no hydrogen 2.970 N/A HIS 65.A N VAL 61.A O no hydrogen 2.932 N/A GLU 66.A N GLU 62.A O no hydrogen 2.960 N/A ASP 67.A N GLN 63.A O no hydrogen 2.871 N/A ILE 68.A N MET 64.A O no hydrogen 2.990 N/A ILE 69.A N HIS 65.A O no hydrogen 2.985 N/A SER 70.A N GLU 66.A O no hydrogen 2.889 N/A LEU 71.A N ASP 67.A O no hydrogen 2.943 N/A TRP 72.A N ILE 68.A O no hydrogen 2.945 N/A ASP 73.A N ILE 69.A O no hydrogen 2.964 N/A GLN 74.A N SER 70.A O no hydrogen 2.907 N/A SER 75.A N LEU 71.A O no hydrogen 2.961 N/A SER 75.A OG VAL 28.A O no hydrogen 3.450 N/A SER 75.A OG LEU 71.A O no hydrogen 3.142 N/A LEU 76.A N TRP 72.A O no hydrogen 3.002 N/A LYS 77.A N ASP 73.A O no hydrogen 2.916 N/A CYS 79.A N LYS 77.A O no hydrogen 2.778 N/A CYS 79.A SG SER 75.A O no hydrogen 3.645 N/A LEU 82.A N ILE 151.A O no hydrogen 2.897 N/A THR 83.A N LYS 81.A O no hydrogen 3.058 N/A LEU 85.A N LEU 82.A O no hydrogen 3.480 N/A CYS 86.A N THR 83.A O no hydrogen 3.298 N/A CYS 86.A SG ASN 145.A OD1 no hydrogen 3.627 N/A VAL 87.A N LEU 85.A O no hydrogen 2.838 N/A LEU 89.A N TYR 141.A O no hydrogen 2.887 N/A GLN 90.A N SER 110.A O no hydrogen 2.980 N/A CYS 91.A N LYS 139.A O no hydrogen 2.947 N/A THR 92.A N ASN 108.A O no hydrogen 2.993 N/A TYR 94.A N ILE 106.A O no hydrogen 3.045 N/A TYR 94.A OH ASP 270.A OD1 no hydrogen 3.375 N/A LEU 98.A N ALA 95.A O no hydrogen 3.119 N/A SER 100.A OG MET 101.A O no hydrogen 2.950 N/A ARG 103.A N SER 100.A O no hydrogen 3.269 N/A GLU 105.A N MET 102.A O no hydrogen 3.213 N/A LYS 107.A N PHE 128.A O no hydrogen 2.860 N/A LYS 107.A NZ ASN 93.A OD1 no hydrogen 3.308 N/A LYS 107.A NZ GLY 104.A O no hydrogen 3.545 N/A ASN 108.A N THR 92.A O no hydrogen 2.820 N/A CYS 109.A N SER 126.A O no hydrogen 2.865 N/A CYS 109.A SG LYS 107.A O no hydrogen 4.003 N/A SER 110.A N GLN 90.A O no hydrogen 2.886 N/A PHE 111.A N VAL 124.A O no hydrogen 2.983 N/A THR 114.A OG1 ILE 259.A O no hydrogen 3.094 N/A THR 115.A OG1 LEU 117.A O no hydrogen 3.134 N/A THR 115.A OG1 LYS 120.A O no hydrogen 2.881 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.639 N/A GLN 122.A N MET 113.A O no hydrogen 3.189 N/A GLN 122.A NE2 THR 114.A O no hydrogen 2.894 N/A GLN 122.A NE2 ARG 258.A O no hydrogen 3.120 N/A LYS 123.A NZ TYR 125.A OH no hydrogen 3.429 N/A VAL 124.A N PHE 111.A O no hydrogen 2.845 N/A SER 126.A N CYS 109.A O no hydrogen 2.998 N/A PHE 128.A N LYS 107.A O no hydrogen 2.925 N/A ARG 130.A N GLU 105.A O no hydrogen 2.499 N/A ARG 130.A NE GLU 105.A OE1 no hydrogen 2.962 N/A ASP 132.A N TYR 129.A O no hydrogen 3.016 N/A VAL 133.A N ARG 130.A O no hydrogen 3.200 N/A VAL 134.A N ARG 142.A O no hydrogen 2.911 N/A ILE 136.A N GLU 140.A O no hydrogen 2.982 N/A LYS 139.A N CYS 91.A O no hydrogen 3.011 N/A TYR 141.A N LEU 89.A O no hydrogen 2.906 N/A ARG 142.A N VAL 134.A O no hydrogen 2.887 N/A ARG 142.A NH1 LEU 143.A O no hydrogen 3.215 N/A ILE 144.A N ASP 132.A O no hydrogen 3.367 N/A CYS 146.A N LEU 143.A O no hydrogen 3.227 N/A CYS 146.A SG ASN 145.A OD1 no hydrogen 3.000 N/A ASN 147.A N ILE 144.A O no hydrogen 3.028 N/A THR 148.A N ASN 145.A O no hydrogen 3.156 N/A SER 149.A N ASN 145.A O no hydrogen 2.659 N/A SER 149.A OG ALA 150.A O no hydrogen 2.959 N/A SER 149.A OG GLY 366.A O no hydrogen 2.645 N/A GLN 153.A N VAL 80.A O no hydrogen 2.564 N/A GLN 153.A NE2 ALA 264.A O no hydrogen 2.903 N/A ALA 154.A N TYR 370.A O no hydrogen 3.234 N/A CYS 155.A SG PRO 78.A O no hydrogen 3.343 N/A VAL 158.A N CYS 155.A O no hydrogen 3.282 N/A SER 159.A N HIS 26.A O no hydrogen 3.101 N/A GLU 161.A N SER 159.A OG no hydrogen 3.073 N/A ILE 165.A N ILE 201.A O no hydrogen 2.890 N/A HIS 166.A N ALA 23.A O no hydrogen 2.867 N/A HIS 166.A ND1 THR 198.A O no hydrogen 2.924 N/A TYR 167.A N THR 198.A OG1 no hydrogen 3.237 N/A CYS 168.A N PHE 21.A O no hydrogen 2.941 N/A PHE 173.A N PRO 170.A O no hydrogen 3.214 N/A ALA 174.A N VAL 419.A O no hydrogen 2.917 N/A LEU 176.A N LYS 417.A O no hydrogen 2.872 N/A LYS 177.A N SER 193.A O no hydrogen 2.779 N/A LYS 177.A NZ GLU 43.A OE1 no hydrogen 3.128 N/A CYS 178.A N LYS 415.A O no hydrogen 2.817 N/A LYS 179.A NZ GLU 43.A OE2 no hydrogen 2.577 N/A LYS 181.A NZ GLU 217.A OE1 no hydrogen 2.525 N/A GLY 187.A N PHE 53.A O no hydrogen 2.877 N/A CYS 189.A N GLU 51.A O no hydrogen 2.937 N/A GLN 190.A N ASP 180.A OD2 no hydrogen 3.255 N/A SER 193.A N LYS 177.A O no hydrogen 2.930 N/A SER 193.A OG GLU 43.A OE2 no hydrogen 3.319 N/A SER 193.A OG ILE 44.A O no hydrogen 2.992 N/A THR 194.A N ILE 44.A O no hydrogen 2.905 N/A VAL 195.A N ILE 175.A O no hydrogen 2.964 N/A THR 198.A N TYR 167.A O no hydrogen 2.981 N/A THR 198.A OG1 HIS 199.A O no hydrogen 3.141 N/A HIS 199.A N TYR 416.A OH no hydrogen 3.304 N/A HIS 199.A ND1 TYR 416.A OH no hydrogen 3.221 N/A ILE 201.A N ILE 165.A O no hydrogen 2.995 N/A VAL 204.A N LYS 202.A O no hydrogen 2.718 N/A SER 206.A OG LEU 209.A O no hydrogen 2.770 N/A THR 207.A OG1 SER 324.A OG no hydrogen 2.973 N/A GLN 208.A NE2 VAL 320.A O no hydrogen 3.433 N/A LEU 209.A N THR 207.A O no hydrogen 2.601 N/A LEU 210.A N GLY 386.A O no hydrogen 2.669 N/A ASN 212.A N ASN 383.A O no hydrogen 3.044 N/A GLY 213.A N THR 385.A OG1 no hydrogen 3.000 N/A ALA 216.A N LEU 238.A O no hydrogen 2.679 N/A ILE 221.A N GLN 237.A O no hydrogen 2.926 N/A ARG 223.A N LEU 235.A O no hydrogen 2.935 N/A ARG 223.A NH1 GLN 237.A OE1 no hydrogen 2.926 N/A ARG 223.A NH2 GLN 237.A OE1 no hydrogen 2.947 N/A ASN 229.A N ASN 226.A OD1 no hydrogen 2.832 N/A ALA 231.A N ASN 229.A OD1 no hydrogen 2.907 N/A LYS 232.A N ASN 229.A O no hydrogen 3.344 N/A LYS 232.A NZ GLU 225.A OE1 no hydrogen 2.978 N/A ASN 233.A ND2 ASP 407.A OD2 no hydrogen 2.497 N/A ILE 234.A N LEU 389.A O no hydrogen 2.845 N/A LEU 235.A N ARG 223.A O no hydrogen 2.883 N/A VAL 236.A N LEU 387.A O no hydrogen 2.900 N/A GLN 237.A N ILE 221.A O no hydrogen 2.852 N/A GLN 237.A NE2 SER 214.A O no hydrogen 3.203 N/A LEU 238.A N THR 385.A O no hydrogen 3.310 N/A ASN 239.A ND2 GLU 218.A O no hydrogen 3.615 N/A VAL 242.A N ILE 384.A O no hydrogen 3.111 N/A ILE 244.A N SER 382.A O no hydrogen 2.829 N/A ASN 245.A N ASN 281.A O no hydrogen 2.974 N/A CYS 246.A N CYS 380.A O no hydrogen 2.958 N/A THR 247.A N HIS 279.A O no hydrogen 2.909 N/A THR 247.A OG1 ILE 378.A O no hydrogen 2.807 N/A ARG 248.A N ILE 378.A O no hydrogen 2.821 N/A ARG 248.A NH2 ILE 374.A O no hydrogen 2.624 N/A ARG 248.A NH2 GLY 376.A O no hydrogen 2.743 N/A ASN 252.A N SER 250.A O no hydrogen 2.969 N/A THR 253.A OG1 ASP 270.A O no hydrogen 2.927 N/A VAL 254.A N GLN 375.A OE1 no hydrogen 3.402 N/A LYS 255.A N TYR 267.A O no hydrogen 2.975 N/A ILE 257.A N PHE 265.A O no hydrogen 2.948 N/A ARG 258.A NE GLN 263.A O no hydrogen 3.378 N/A ILE 259.A N GLN 263.A O no hydrogen 2.969 N/A GLN 263.A N GLY 260.A O no hydrogen 3.258 N/A PHE 265.A N ILE 257.A O no hydrogen 2.862 N/A TYR 266.A N GLN 153.A OE1 no hydrogen 3.169 N/A TYR 267.A N LYS 255.A O no hydrogen 2.887 N/A GLY 269.A N THR 253.A O no hydrogen 3.252 N/A ARG 276.A N SER 250.A OG no hydrogen 3.167 N/A HIS 279.A N THR 247.A O no hydrogen 3.010 N/A HIS 279.A ND1 MET 277.A O no hydrogen 3.064 N/A CYS 280.A N LEU 351.A O no hydrogen 2.970 N/A ASN 281.A N ASN 245.A O no hydrogen 2.841 N/A ILE 282.A N LEU 349.A O no hydrogen 2.942 N/A LYS 284.A N ASP 347.A O no hydrogen 3.167 N/A TRP 287.A N SER 283.A O no hydrogen 3.226 N/A TRP 287.A NE1 LEU 339.A O no hydrogen 2.939 N/A ASN 288.A N LYS 284.A O no hydrogen 2.954 N/A GLU 289.A N ALA 285.A O no hydrogen 2.934 N/A THR 290.A N THR 286.A O no hydrogen 2.880 N/A THR 290.A OG1 THR 286.A O no hydrogen 2.895 N/A LEU 291.A N TRP 287.A O no hydrogen 2.874 N/A GLY 292.A N ASN 288.A O no hydrogen 2.943 N/A LYS 293.A N GLU 289.A O no hydrogen 2.938 N/A LYS 293.A NZ ASN 239.A OD1 no hydrogen 3.233 N/A LYS 293.A NZ THR 240.A OG1 no hydrogen 2.911 N/A VAL 294.A N THR 290.A O no hydrogen 2.945 N/A VAL 295.A N LEU 291.A O no hydrogen 2.923 N/A LYS 296.A N GLY 292.A O no hydrogen 2.951 N/A GLN 297.A N LYS 293.A O no hydrogen 3.022 N/A LEU 298.A N VAL 294.A O no hydrogen 2.821 N/A ARG 299.A N VAL 295.A O no hydrogen 2.938 N/A ARG 299.A NH1 THR 306.A O no hydrogen 2.707 N/A ARG 299.A NH2 TRP 344.A O no hydrogen 3.203 N/A LYS 300.A N GLN 297.A O no hydrogen 3.316 N/A LYS 300.A NZ GLN 297.A OE1 no hydrogen 2.898 N/A HIS 301.A N LEU 298.A O no hydrogen 3.207 N/A PHE 302.A N ARG 299.A O no hydrogen 3.118 N/A GLY 303.A N ARG 299.A O no hydrogen 2.859 N/A THR 306.A OG1 GLY 303.A O no hydrogen 3.291 N/A ILE 307.A N THR 394.A O no hydrogen 3.008 N/A ILE 308.A N TRP 344.A O no hydrogen 2.997 N/A ARG 309.A N GLU 396.A O no hydrogen 2.905 N/A ARG 309.A NE THR 397.A OG1 no hydrogen 3.420 N/A PHE 310.A N SER 342.A O no hydrogen 2.844 N/A ALA 311.A N PHE 398.A O no hydrogen 2.942 N/A GLN 312.A N GLN 312.A OE1 no hydrogen 2.704 N/A GLY 315.A N SER 314.A OG no hydrogen 2.668 N/A GLU 319.A N ASP 317.A OD1 no hydrogen 2.869 N/A VAL 320.A N ASP 317.A O no hydrogen 3.185 N/A THR 321.A N ASP 317.A O no hydrogen 2.943 N/A THR 321.A OG1 GLY 315.A O no hydrogen 3.120 N/A THR 321.A OG1 ASP 317.A O no hydrogen 2.678 N/A THR 322.A OG1 LEU 318.A O no hydrogen 2.514 N/A HIS 323.A N CYS 334.A O no hydrogen 2.939 N/A SER 324.A OG THR 207.A OG1 no hydrogen 2.973 N/A PHE 325.A N PHE 332.A O no hydrogen 3.019 N/A CYS 327.A N GLU 330.A O no hydrogen 2.866 N/A GLY 329.A N ASN 326.A OD1 no hydrogen 3.072 N/A GLU 330.A N CYS 327.A O no hydrogen 3.000 N/A PHE 332.A N PHE 325.A O no hydrogen 2.903 N/A TYR 333.A N TRP 354.A O no hydrogen 2.893 N/A TYR 333.A OH GLU 319.A OE2 no hydrogen 2.593 N/A CYS 334.A N HIS 323.A O no hydrogen 2.812 N/A ASN 335.A N PRO 352.A O no hydrogen 3.180 N/A THR 336.A OG1 GLN 208.A OE1 no hydrogen 3.219 N/A THR 336.A OG1 ASN 335.A O no hydrogen 2.552 N/A SER 337.A N ASN 335.A OD1 no hydrogen 2.647 N/A SER 337.A OG ASN 335.A OD1 no hydrogen 2.569 N/A LEU 339.A N THR 336.A O no hydrogen 2.885 N/A SER 342.A N PHE 310.A O no hydrogen 3.042 N/A TRP 344.A N ILE 308.A O no hydrogen 2.823 N/A TRP 344.A NE1 SER 342.A OG no hydrogen 2.837 N/A SER 346.A OG ASN 304.A O no hydrogen 3.411 N/A LEU 349.A N ILE 282.A O no hydrogen 2.883 N/A LEU 351.A N CYS 280.A O no hydrogen 2.876 N/A CYS 353.A N ALA 278.A O no hydrogen 2.919 N/A CYS 353.A SG LEU 351.A O no hydrogen 3.623 N/A TRP 354.A N TYR 333.A O no hydrogen 2.801 N/A GLN 357.A N ASP 132.A OD2 no hydrogen 2.972 N/A ILE 359.A N MET 369.A O no hydrogen 2.676 N/A GLN 363.A NE2 GLY 403.A O no hydrogen 2.442 N/A ARG 364.A N MET 361.A O no hydrogen 3.194 N/A ARG 364.A NH1 ASP 73.A OD1 no hydrogen 3.270 N/A ARG 364.A NH1 ASP 73.A OD2 no hydrogen 2.918 N/A ARG 364.A NH2 ASP 73.A OD1 no hydrogen 3.003 N/A ALA 368.A N SER 149.A OG no hydrogen 3.149 N/A MET 369.A N ILE 359.A O no hydrogen 2.734 N/A TYR 370.A N THR 152.A O no hydrogen 3.360 N/A TYR 370.A OH TYR 266.A O no hydrogen 3.283 N/A TYR 370.A OH GLN 357.A OE1 no hydrogen 3.373 N/A ALA 371.A N GLN 357.A O no hydrogen 2.880 N/A GLY 376.A N ASN 252.A O no hydrogen 2.636 N/A ILE 378.A N ARG 248.A O no hydrogen 3.115 N/A CYS 380.A N CYS 246.A O no hydrogen 2.926 N/A SER 382.A N ILE 244.A O no hydrogen 2.880 N/A ASN 383.A N ASN 212.A OD1 no hydrogen 3.273 N/A ILE 384.A N VAL 242.A O no hydrogen 2.797 N/A THR 385.A N LEU 210.A O no hydrogen 2.975 N/A THR 385.A OG1 LEU 210.A O no hydrogen 3.408 N/A LEU 387.A N VAL 236.A O no hydrogen 2.841 N/A ILE 388.A N GLN 208.A O no hydrogen 3.078 N/A LEU 389.A N ILE 234.A O no hydrogen 2.914 N/A THR 390.A N ARG 399.A O no hydrogen 2.883 N/A THR 390.A OG1 ARG 399.A O no hydrogen 3.490 N/A ARG 391.A NH1 ILE 227.A O no hydrogen 2.805 N/A ARG 391.A NH2 GLU 396.A OE1 no hydrogen 3.075 N/A ASP 392.A N GLU 396.A OE2 no hydrogen 3.322 N/A SER 393.A OG THR 395.A O no hydrogen 3.348 N/A THR 395.A N SER 393.A OG no hydrogen 3.359 N/A GLU 396.A N ILE 307.A O no hydrogen 2.954 N/A PHE 398.A N ARG 309.A O no hydrogen 2.874 N/A ARG 399.A N THR 390.A O no hydrogen 3.104 N/A ARG 399.A NE ASP 392.A OD2 no hydrogen 2.912 N/A ARG 399.A NH1 GLN 312.A O no hydrogen 2.905 N/A ARG 399.A NH2 ASP 392.A OD2 no hydrogen 2.987 N/A ARG 406.A N ASP 404.A OD1 no hydrogen 3.381 N/A ASP 407.A N ASP 404.A O no hydrogen 2.957 N/A ASN 408.A N MET 405.A O no hydrogen 2.923 N/A ASN 408.A ND2 SER 206.A O no hydrogen 2.491 N/A TRP 409.A N ARG 406.A O no hydrogen 3.001 N/A ARG 410.A N ARG 406.A O no hydrogen 3.092 N/A SER 411.A OG ASN 408.A O no hydrogen 3.304 N/A GLU 412.A N TRP 409.A O no hydrogen 2.982 N/A LEU 413.A N TRP 409.A O no hydrogen 2.830 N/A TYR 414.A N ARG 410.A O no hydrogen 2.733 N/A TYR 416.A N LEU 413.A O no hydrogen 3.185 N/A TYR 416.A OH HIS 199.A ND1 no hydrogen 3.221 N/A LYS 417.A N LEU 176.A O no hydrogen 2.973 N/A LYS 417.A NZ ASP 15.A OD1 no hydrogen 3.126 N/A LYS 417.A NZ ASP 15.A OD2 no hydrogen 3.081 N/A LYS 417.A NZ GLU 52.A O no hydrogen 2.841 N/A VAL 419.A N ALA 174.A O no hydrogen 2.924 N/A LYS 420.A N LYS 14.A O no hydrogen 2.881 N/A ILE 421.A N GLY 172.A O no hydrogen 3.087 N/A GLU 422.A N VAL 12.A O no hydrogen 3.377 N/A LEU 424.A N GLU 422.A O no hydrogen 2.772 N/A GLY 425.A N TYR 7.A O no hydrogen 2.958 N/A ALA 427.A N THR 5.A O no hydrogen 2.964 N/A THR 429.A N TRP 3.A O no hydrogen 2.900 N/A THR 429.A OG1 THR 5.A OG1 no hydrogen 2.409 N/A LEU 272A.A N ASN 251.A O no hydrogen 3.394 N/A