Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u4n_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N LEU 2.A O no hydrogen 2.908 N/A GLU 7.A N ARG 3.A O no hydrogen 2.906 N/A GLN 8.A N GLN 4.A O no hydrogen 2.901 N/A LEU 9.A N GLU 5.A O no hydrogen 2.905 N/A LYS 10.A N ALA 6.A O no hydrogen 2.897 N/A ASN 11.A N GLU 7.A O no hydrogen 2.899 N/A GLN 12.A N GLN 8.A O no hydrogen 2.911 N/A ILE 13.A N LEU 9.A O no hydrogen 2.897 N/A ARG 14.A N LYS 10.A O no hydrogen 2.893 N/A ASP 15.A N ASN 11.A O no hydrogen 2.905 N/A ALA 16.A N GLN 12.A O no hydrogen 2.901 N/A ARG 17.A N ILE 13.A O no hydrogen 2.896 N/A ARG 17.A NH2 THR 216.A O no hydrogen 2.407 N/A LYS 18.A N ARG 14.A O no hydrogen 2.892 N/A ALA 19.A N ASP 15.A O no hydrogen 2.908 N/A CYS 20.A N ALA 16.A O no hydrogen 3.370 N/A CYS 20.A SG ALA 16.A O no hydrogen 3.659 N/A ALA 21.A N LYS 18.A O no hydrogen 3.223 N/A GLN 27.A N THR 24.A OG1 no hydrogen 2.968 N/A ILE 28.A N THR 24.A O no hydrogen 3.421 N/A THR 29.A OG1 LEU 295.A O no hydrogen 2.924 N/A ASN 30.A ND2 GLN 27.A O no hydrogen 3.548 N/A VAL 35.A N ASP 293.A OD2 no hydrogen 3.434 N/A ILE 38.A N ALA 300.A O no hydrogen 2.456 N/A ARG 43.A N ILE 333.A O no hydrogen 2.637 N/A ARG 44.A NE SER 79.A O no hydrogen 3.288 N/A ARG 44.A NE TYR 80.A O no hydrogen 2.956 N/A ARG 44.A NH2 TYR 80.A O no hydrogen 2.979 N/A LEU 46.A N LEU 331.A O no hydrogen 2.807 N/A HIS 49.A NE2 SER 67.A OG no hydrogen 2.298 N/A LEU 50.A N ASP 71.A OD2 no hydrogen 3.325 N/A ILE 53.A N SER 326.A O no hydrogen 3.291 N/A TYR 54.A N ALA 68.A O no hydrogen 3.004 N/A HIS 57.A N VAL 66.A O no hydrogen 2.907 N/A GLY 59.A N LEU 64.A O no hydrogen 2.625 N/A THR 60.A OG1 PRO 102.A O no hydrogen 3.131 N/A SER 62.A N GLY 59.A O no hydrogen 3.113 N/A SER 62.A OG ASP 318.A OD1 no hydrogen 2.935 N/A ARG 63.A N ASP 61.A OD1 no hydrogen 3.307 N/A ARG 63.A NE ASP 78.A OD1 no hydrogen 2.647 N/A ARG 63.A NE ASP 78.A OD2 no hydrogen 3.345 N/A ARG 63.A NH2 ASP 78.A OD2 no hydrogen 3.106 N/A LEU 64.A N ASP 61.A OD1 no hydrogen 3.475 N/A LEU 65.A N TRP 77.A O no hydrogen 3.442 N/A VAL 66.A N HIS 57.A O no hydrogen 2.974 N/A SER 67.A N ILE 75.A O no hydrogen 2.890 N/A SER 67.A OG HIS 49.A NE2 no hydrogen 2.298 N/A ALA 68.A N ALA 55.A O no hydrogen 2.987 N/A SER 69.A OG ALA 51.A O no hydrogen 3.007 N/A SER 69.A OG LYS 52.A O no hydrogen 2.628 N/A SER 69.A OG ASP 71.A OD1 no hydrogen 3.036 N/A GLN 70.A N LYS 52.A O no hydrogen 2.877 N/A GLY 72.A N SER 69.A O no hydrogen 3.415 N/A LEU 74.A N ILE 88.A O no hydrogen 2.804 N/A ILE 75.A N SER 67.A O no hydrogen 3.044 N/A ILE 76.A N HIS 86.A O no hydrogen 3.152 N/A TRP 77.A N LEU 65.A O no hydrogen 2.797 N/A TRP 77.A NE1 SER 67.A OG no hydrogen 2.985 N/A ASP 78.A N ASN 83.A O no hydrogen 2.574 N/A SER 79.A N ARG 63.A O no hydrogen 3.041 N/A SER 79.A OG ARG 63.A O no hydrogen 2.411 N/A THR 81.A N ASP 78.A O no hydrogen 3.053 N/A THR 81.A OG1 ASN 83.A OD1 no hydrogen 2.779 N/A THR 82.A N ASP 78.A O no hydrogen 2.552 N/A ASN 83.A N THR 81.A OG1 no hydrogen 3.353 N/A LYS 84.A NZ ARG 47.A O no hydrogen 3.121 N/A VAL 85.A N ILE 76.A O no hydrogen 2.622 N/A HIS 86.A N ILE 76.A O no hydrogen 3.191 N/A ILE 88.A N LEU 74.A O no hydrogen 2.736 N/A LEU 90.A N GLY 72.A O no hydrogen 2.950 N/A MET 96.A N GLY 110.A O no hydrogen 2.834 N/A THR 97.A N GLY 110.A O no hydrogen 3.366 N/A CYS 98.A SG VAL 66.A O no hydrogen 3.695 N/A TYR 100.A N HIS 57.A ND1 no hydrogen 3.062 N/A ALA 101.A N TYR 106.A O no hydrogen 2.798 N/A SER 103.A OG ASP 149.A OD1 no hydrogen 2.300 N/A SER 103.A OG ASP 149.A OD2 no hydrogen 3.125 N/A GLY 104.A N ALA 101.A O no hydrogen 2.831 N/A ASN 105.A ND2 ASP 149.A OD2 no hydrogen 3.146 N/A VAL 107.A N TYR 119.A O no hydrogen 3.175 N/A ALA 108.A N ALA 99.A O no hydrogen 2.859 N/A LEU 112.A N TRP 94.A O no hydrogen 3.139 N/A ASN 114.A N GLY 111.A O no hydrogen 3.173 N/A ILE 115.A N ASP 113.A OD1 no hydrogen 3.029 N/A CYS 116.A N LEU 134.A O no hydrogen 3.128 N/A CYS 116.A SG CYS 109.A O no hydrogen 3.188 N/A SER 117.A OG GLU 133.A OE2 no hydrogen 2.870 N/A ILE 118.A N ARG 132.A O no hydrogen 2.786 N/A TYR 119.A N VAL 107.A O no hydrogen 2.935 N/A ASN 120.A N ARG 129.A O no hydrogen 2.740 N/A LEU 121.A N ASN 105.A O no hydrogen 2.610 N/A LYS 122.A NZ ASN 105.A OD1 no hydrogen 3.329 N/A THR 123.A OG1 ASN 127.A O no hydrogen 2.231 N/A GLY 126.A N THR 123.A OG1 no hydrogen 3.375 N/A SER 131.A N ILE 118.A O no hydrogen 2.468 N/A ARG 132.A N ILE 118.A O no hydrogen 3.284 N/A ARG 132.A NE ILE 166.A O no hydrogen 2.542 N/A LEU 134.A N CYS 116.A O no hydrogen 2.712 N/A HIS 137.A NE2 THR 154.A OG1 no hydrogen 2.595 N/A THR 138.A N ASP 158.A OD2 no hydrogen 2.797 N/A TYR 140.A OH ASP 181.A OD2 no hydrogen 3.208 N/A LEU 141.A N GLY 111.A O no hydrogen 3.098 N/A SER 142.A N SER 155.A O no hydrogen 2.932 N/A SER 142.A OG SER 155.A O no hydrogen 3.368 N/A SER 142.A OG SER 155.A OG no hydrogen 3.194 N/A SER 142.A OG VAL 182.A O no hydrogen 2.470 N/A CYS 143.A N SER 155.A O no hydrogen 3.299 N/A CYS 143.A SG LEU 185.A O no hydrogen 3.793 N/A CYS 144.A SG CYS 109.A O no hydrogen 3.991 N/A ARG 145.A N VAL 153.A O no hydrogen 2.874 N/A ARG 145.A NH1 CYS 98.A O no hydrogen 3.352 N/A LEU 147.A N GLN 151.A O no hydrogen 2.893 N/A ASP 148.A N GLN 151.A O no hydrogen 3.305 N/A ASN 150.A N ASP 148.A OD1 no hydrogen 3.002 N/A GLN 151.A N ASP 148.A OD1 no hydrogen 2.631 N/A ILE 152.A N TRP 164.A O no hydrogen 3.438 N/A VAL 153.A N ARG 145.A O no hydrogen 2.928 N/A THR 154.A N ALA 162.A O no hydrogen 2.892 N/A THR 154.A OG1 HIS 137.A NE2 no hydrogen 2.595 N/A SER 155.A N CYS 143.A O no hydrogen 2.963 N/A SER 155.A OG SER 142.A OG no hydrogen 3.194 N/A SER 156.A N THR 160.A O no hydrogen 3.191 N/A SER 156.A OG TYR 140.A O no hydrogen 2.789 N/A GLY 157.A N TYR 140.A O no hydrogen 2.437 N/A THR 159.A OG1 ASP 158.A O no hydrogen 2.475 N/A THR 160.A N ASP 158.A OD1 no hydrogen 3.309 N/A THR 160.A OG1 ASP 158.A OD1 no hydrogen 2.924 N/A THR 160.A OG1 ASP 158.A OD2 no hydrogen 3.428 N/A CYS 161.A N PHE 175.A O no hydrogen 2.972 N/A ALA 162.A N THR 154.A O no hydrogen 2.848 N/A LEU 163.A N THR 173.A O no hydrogen 2.614 N/A TRP 164.A N ILE 152.A O no hydrogen 2.892 N/A TRP 164.A NE1 THR 154.A OG1 no hydrogen 2.763 N/A ASP 165.A N GLN 170.A O no hydrogen 3.029 N/A ILE 166.A N ASN 150.A O no hydrogen 2.696 N/A THR 168.A OG1 ASP 165.A OD2 no hydrogen 3.052 N/A GLY 169.A N ASP 165.A O no hydrogen 2.551 N/A GLN 170.A NE2 THR 168.A O no hydrogen 3.480 N/A THR 173.A N LEU 163.A O no hydrogen 3.367 N/A THR 174.A OG1 GLN 171.A OE1 no hydrogen 2.702 N/A PHE 175.A N CYS 161.A O no hydrogen 2.502 N/A HIS 178.A NE2 SER 196.A O no hydrogen 3.082 N/A HIS 178.A NE2 SER 196.A OG no hydrogen 2.724 N/A MET 183.A N GLY 197.A O no hydrogen 3.009 N/A SER 184.A N GLY 197.A O no hydrogen 3.301 N/A SER 186.A N VAL 195.A O no hydrogen 3.056 N/A ALA 188.A N LEU 193.A O no hydrogen 2.900 N/A THR 191.A N ALA 188.A O no hydrogen 3.030 N/A THR 191.A OG1 ASP 190.A O no hydrogen 2.482 N/A ARG 192.A N ASP 190.A OD1 no hydrogen 3.169 N/A PHE 194.A N TRP 206.A O no hydrogen 3.225 N/A VAL 195.A N SER 186.A O no hydrogen 3.028 N/A SER 196.A N LYS 204.A O no hydrogen 3.026 N/A SER 196.A OG HIS 178.A NE2 no hydrogen 2.724 N/A ALA 198.A N SER 202.A O no hydrogen 3.168 N/A CYS 199.A N ASP 181.A O no hydrogen 2.553 N/A CYS 199.A SG ASP 181.A O no hydrogen 3.544 N/A SER 202.A N ASP 200.A OD1 no hydrogen 3.076 N/A SER 202.A OG ALA 203.A O no hydrogen 3.530 N/A SER 202.A OG PHE 217.A O no hydrogen 2.994 N/A ALA 203.A N PHE 217.A O no hydrogen 2.781 N/A LYS 204.A N SER 196.A O no hydrogen 3.021 N/A LEU 205.A N GLN 215.A O no hydrogen 2.822 N/A TRP 206.A N PHE 194.A O no hydrogen 2.898 N/A TRP 206.A NE1 SER 196.A OG no hydrogen 2.772 N/A ASP 207.A N MET 212.A O no hydrogen 3.328 N/A VAL 208.A N ARG 192.A O no hydrogen 3.279 N/A ARG 209.A N ASP 207.A OD1 no hydrogen 3.278 N/A GLY 211.A N ASP 207.A O no hydrogen 2.846 N/A CYS 213.A SG LEU 205.A O no hydrogen 3.723 N/A CYS 213.A SG GLN 215.A O no hydrogen 3.187 N/A CYS 213.A SG THR 216.A OG1 no hydrogen 3.553 N/A ARG 214.A N LEU 205.A O no hydrogen 2.630 N/A ARG 214.A NE ASP 207.A OD2 no hydrogen 3.289 N/A ARG 214.A NH2 ASP 207.A OD2 no hydrogen 2.981 N/A GLN 215.A NE2 LEU 250.A O no hydrogen 3.064 N/A PHE 217.A N ALA 203.A O no hydrogen 2.586 N/A HIS 220.A NE2 THR 238.A OG1 no hydrogen 2.545 N/A GLU 221.A N ASP 242.A OD2 no hydrogen 2.887 N/A ILE 224.A N ALA 198.A O no hydrogen 3.283 N/A ASN 225.A N GLY 239.A O no hydrogen 2.758 N/A ASN 225.A ND2 ASP 241.A OD1 no hydrogen 2.347 N/A ASN 225.A ND2 ILE 268.A O no hydrogen 3.030 N/A ALA 226.A N GLY 239.A O no hydrogen 3.088 N/A CYS 228.A N ALA 237.A O no hydrogen 3.037 N/A CYS 228.A SG PHE 229.A O no hydrogen 3.679 N/A PHE 229.A N SER 186.A OG no hydrogen 3.203 N/A PHE 230.A N ALA 235.A O no hydrogen 2.565 N/A GLY 233.A N PHE 230.A O no hydrogen 2.884 N/A PHE 236.A N PHE 248.A O no hydrogen 2.982 N/A ALA 237.A N CYS 228.A O no hydrogen 2.876 N/A THR 238.A N ARG 246.A O no hydrogen 2.946 N/A THR 238.A OG1 HIS 220.A NE2 no hydrogen 2.545 N/A THR 238.A OG1 ARG 246.A O no hydrogen 3.521 N/A GLY 239.A N ALA 226.A O no hydrogen 2.981 N/A SER 240.A N THR 244.A O no hydrogen 3.226 N/A SER 240.A OG ASP 223.A O no hydrogen 2.636 N/A SER 240.A OG ASP 242.A OD1 no hydrogen 3.032 N/A ASP 241.A N ASP 223.A O no hydrogen 2.862 N/A THR 244.A OG1 HIS 220.A ND1 no hydrogen 3.320 N/A THR 244.A OG1 ASP 242.A OD1 no hydrogen 2.521 N/A CYS 245.A N TYR 259.A O no hydrogen 3.070 N/A ARG 246.A N THR 238.A O no hydrogen 3.162 N/A ARG 246.A NH1 GLU 255.A OE1 no hydrogen 3.186 N/A LEU 247.A N MET 257.A O no hydrogen 2.860 N/A PHE 248.A N PHE 236.A O no hydrogen 2.878 N/A ASP 249.A N GLN 254.A O no hydrogen 3.311 N/A LEU 250.A N ASN 234.A O no hydrogen 3.115 N/A ALA 252.A N ASP 249.A OD1 no hydrogen 2.886 N/A ASP 253.A N ASP 249.A O no hydrogen 2.711 N/A GLN 254.A NE2 ARG 17.A O no hydrogen 2.866 N/A LEU 256.A N LEU 247.A O no hydrogen 2.799 N/A THR 258.A OG1 GLU 255.A OE2 no hydrogen 2.426 N/A TYR 259.A N CYS 245.A O no hydrogen 2.435 N/A TYR 259.A OH ALA 294.A O no hydrogen 2.360 N/A ASN 263.A N HIS 261.A ND1 no hydrogen 3.149 N/A ILE 264.A N HIS 261.A O no hydrogen 3.228 N/A CYS 266.A SG ASP 286.A OD2 no hydrogen 3.249 N/A ILE 268.A N SER 240.A O no hydrogen 2.854 N/A THR 269.A N GLY 283.A O no hydrogen 2.945 N/A THR 269.A OG1 VAL 310.A O no hydrogen 2.236 N/A SER 272.A N LEU 281.A O no hydrogen 2.810 N/A SER 274.A N LEU 279.A O no hydrogen 3.032 N/A LYS 275.A NZ ASP 317.A O no hydrogen 2.717 N/A GLY 277.A N SER 274.A O no hydrogen 3.075 N/A ARG 278.A NE ASP 293.A OD1 no hydrogen 2.432 N/A ARG 278.A NH2 ASP 33.A O no hydrogen 3.517 N/A ARG 278.A NH2 ASP 293.A OD2 no hydrogen 3.027 N/A LEU 280.A N TRP 292.A O no hydrogen 3.035 N/A ALA 282.A N ASN 290.A O no hydrogen 3.015 N/A GLY 283.A N SER 270.A O no hydrogen 2.719 N/A TYR 284.A N ASN 288.A O no hydrogen 3.036 N/A ASP 285.A N GLY 267.A O no hydrogen 3.114 N/A ASN 288.A N ASP 286.A OD1 no hydrogen 3.180 N/A CYS 289.A N LEU 303.A O no hydrogen 3.345 N/A CYS 289.A SG ALA 282.A O no hydrogen 3.219 N/A ASN 290.A N ALA 282.A O no hydrogen 2.801 N/A VAL 291.A N GLY 301.A O no hydrogen 2.783 N/A TRP 292.A N LEU 280.A O no hydrogen 3.037 N/A TRP 292.A NE1 TYR 284.A OH no hydrogen 2.936 N/A ASP 293.A N ASP 298.A O no hydrogen 2.874 N/A ALA 294.A N ARG 278.A O no hydrogen 2.753 N/A LYS 296.A N ASP 293.A O no hydrogen 3.139 N/A LYS 296.A NZ ILE 32.A O no hydrogen 2.705 N/A ALA 297.A N ASP 293.A O no hydrogen 2.694 N/A ALA 300.A N VAL 291.A O no hydrogen 2.857 N/A LEU 303.A N CYS 289.A O no hydrogen 2.688 N/A HIS 306.A NE2 THR 324.A O no hydrogen 2.931 N/A HIS 306.A NE2 THR 324.A OG1 no hydrogen 2.582 N/A ASP 307.A N ASP 328.A OD2 no hydrogen 3.093 N/A ARG 309.A N ASN 308.A OD1 no hydrogen 2.738 N/A SER 311.A N GLY 325.A O no hydrogen 3.246 N/A SER 311.A OG ILE 53.A O no hydrogen 2.341 N/A GLY 314.A N ALA 323.A O no hydrogen 2.963 N/A THR 316.A N ALA 321.A O no hydrogen 3.138 N/A THR 316.A OG1 ASP 318.A OD1 no hydrogen 2.405 N/A ASP 318.A N SER 62.A OG no hydrogen 3.301 N/A GLY 319.A N THR 316.A O no hydrogen 2.941 N/A MET 320.A N ASP 318.A OD1 no hydrogen 3.391 N/A VAL 322.A N TRP 334.A O no hydrogen 3.028 N/A ALA 323.A N GLY 314.A O no hydrogen 2.860 N/A THR 324.A N LYS 332.A O no hydrogen 3.038 N/A THR 324.A OG1 HIS 306.A NE2 no hydrogen 2.582 N/A GLY 325.A N CYS 312.A O no hydrogen 3.140 N/A SER 326.A OG HIS 306.A ND1 no hydrogen 2.394 N/A SER 326.A OG ASP 328.A OD1 no hydrogen 2.064 N/A TRP 327.A N ARG 309.A O no hydrogen 2.916 N/A SER 329.A N SER 326.A O no hydrogen 3.233 N/A SER 329.A OG HIS 49.A O no hydrogen 3.158 N/A SER 329.A OG ASP 328.A O no hydrogen 2.535 N/A LEU 331.A N LEU 46.A O no hydrogen 3.366 N/A LYS 332.A N THR 324.A O no hydrogen 3.023 N/A LYS 332.A NZ GLY 305.A O no hydrogen 2.308 N/A ILE 333.A N ARG 44.A O no hydrogen 2.874 N/A TRP 334.A N VAL 322.A O no hydrogen 2.745 N/A TRP 334.A NE1 THR 324.A OG1 no hydrogen 3.033 N/A