Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8fu6_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 4.A OD2 no hydrogen 3.161 N/A ASP 4.A N SER 1.A O no hydrogen 3.311 N/A GLN 5.A NE2 GLU 2.A O no hydrogen 3.105 N/A LEU 6.A N GLU 2.A O no hydrogen 3.471 N/A ARG 7.A N LEU 3.A O no hydrogen 2.904 N/A GLN 8.A N ASP 4.A O no hydrogen 2.910 N/A GLU 9.A N GLN 5.A O no hydrogen 2.916 N/A ALA 10.A N LEU 6.A O no hydrogen 2.926 N/A GLU 11.A N ARG 7.A O no hydrogen 2.894 N/A GLN 12.A N GLN 8.A O no hydrogen 2.896 N/A LEU 13.A N GLU 9.A O no hydrogen 2.936 N/A LYS 14.A N ALA 10.A O no hydrogen 2.905 N/A ASN 15.A N GLU 11.A O no hydrogen 2.900 N/A ASN 15.A ND2 GLU 11.A O no hydrogen 2.891 N/A GLN 16.A N GLN 12.A O no hydrogen 2.912 N/A ILE 17.A N LEU 13.A O no hydrogen 2.921 N/A ARG 18.A N LYS 14.A O no hydrogen 2.906 N/A ASP 19.A N ASN 15.A O no hydrogen 2.913 N/A ALA 20.A N GLN 16.A O no hydrogen 2.925 N/A ARG 21.A N ILE 17.A O no hydrogen 3.060 N/A ARG 21.A NH2 THR 220.A O no hydrogen 3.027 N/A LYS 22.A N ARG 18.A O no hydrogen 2.904 N/A ALA 23.A N ASP 19.A O no hydrogen 2.931 N/A CYS 24.A N ARG 21.A O no hydrogen 3.299 N/A CYS 24.A SG ALA 20.A O no hydrogen 3.298 N/A ALA 25.A N LYS 22.A O no hydrogen 3.312 N/A THR 33.A N LEU 29.A O no hydrogen 3.248 N/A THR 33.A OG1 LEU 29.A O no hydrogen 3.382 N/A THR 33.A OG1 SER 30.A O no hydrogen 3.544 N/A THR 33.A OG1 LEU 299.A O no hydrogen 2.944 N/A ASN 34.A N GLN 31.A O no hydrogen 3.439 N/A ILE 36.A N THR 33.A O no hydrogen 3.331 N/A ARG 47.A N ILE 337.A O no hydrogen 2.882 N/A ARG 48.A NE TYR 84.A O no hydrogen 3.102 N/A ARG 48.A NH1 ARG 47.A O no hydrogen 3.368 N/A ARG 48.A NH2 TYR 84.A O no hydrogen 2.978 N/A LEU 50.A N LEU 335.A O no hydrogen 2.957 N/A HIS 53.A NE2 SER 71.A OG no hydrogen 2.445 N/A LYS 56.A NZ GLN 74.A OE1 no hydrogen 2.943 N/A TYR 58.A N ALA 72.A O no hydrogen 3.324 N/A HIS 61.A N VAL 70.A O no hydrogen 3.235 N/A GLY 63.A N LEU 68.A O no hydrogen 2.950 N/A THR 64.A OG1 PRO 106.A O no hydrogen 3.005 N/A SER 66.A N GLY 63.A O no hydrogen 2.990 N/A SER 66.A OG ASP 65.A O no hydrogen 2.472 N/A SER 66.A OG ASP 322.A OD2 no hydrogen 3.187 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.128 N/A ARG 67.A NE ASP 82.A OD1 no hydrogen 3.393 N/A LEU 68.A N ASP 65.A OD1 no hydrogen 3.487 N/A VAL 70.A N HIS 61.A O no hydrogen 3.280 N/A SER 71.A N ILE 79.A O no hydrogen 3.038 N/A SER 71.A OG HIS 53.A NE2 no hydrogen 2.445 N/A ALA 72.A N ALA 59.A O no hydrogen 3.148 N/A SER 73.A N LYS 77.A O no hydrogen 3.430 N/A SER 73.A OG LYS 56.A O no hydrogen 2.742 N/A SER 73.A OG ASP 75.A OD2 no hydrogen 2.602 N/A GLN 74.A N LYS 56.A O no hydrogen 3.151 N/A ASP 75.A N ASP 75.A OD2 no hydrogen 2.521 N/A GLY 76.A N SER 73.A O no hydrogen 3.359 N/A LEU 78.A N ILE 92.A O no hydrogen 2.923 N/A ILE 79.A N SER 71.A O no hydrogen 3.304 N/A ILE 80.A N HIS 90.A O no hydrogen 3.219 N/A TRP 81.A N LEU 69.A O no hydrogen 2.996 N/A TRP 81.A NE1 SER 71.A OG no hydrogen 3.274 N/A ASP 82.A N ASN 87.A O no hydrogen 3.322 N/A SER 83.A N ARG 67.A O no hydrogen 2.951 N/A SER 83.A OG ARG 67.A O no hydrogen 2.954 N/A TYR 84.A N ASP 82.A OD1 no hydrogen 3.060 N/A THR 85.A N ASP 82.A OD1 no hydrogen 3.455 N/A ASN 87.A N THR 85.A O no hydrogen 2.627 N/A VAL 89.A N ILE 80.A O no hydrogen 2.978 N/A ILE 92.A N LEU 78.A O no hydrogen 2.818 N/A LEU 94.A N GLY 76.A O no hydrogen 2.970 N/A VAL 99.A N SER 97.A O no hydrogen 3.141 N/A MET 100.A N GLY 114.A O no hydrogen 2.590 N/A THR 101.A N GLY 114.A O no hydrogen 3.235 N/A ALA 103.A N ALA 112.A O no hydrogen 3.175 N/A TYR 104.A N HIS 61.A ND1 no hydrogen 3.035 N/A ALA 105.A N TYR 110.A O no hydrogen 3.029 N/A SER 107.A OG ASP 153.A OD1 no hydrogen 2.679 N/A SER 107.A OG ASP 153.A OD2 no hydrogen 3.556 N/A GLY 108.A N ALA 105.A O no hydrogen 3.185 N/A VAL 111.A N TYR 123.A O no hydrogen 3.259 N/A ALA 112.A N ALA 103.A O no hydrogen 3.095 N/A CYS 113.A N SER 121.A O no hydrogen 3.363 N/A GLY 114.A N THR 101.A O no hydrogen 3.358 N/A LEU 116.A N TRP 98.A O no hydrogen 3.308 N/A ILE 119.A N ASP 117.A OD1 no hydrogen 3.428 N/A CYS 120.A N LEU 138.A O no hydrogen 3.509 N/A CYS 120.A SG CYS 113.A O no hydrogen 3.992 N/A SER 121.A N CYS 113.A O no hydrogen 3.211 N/A ILE 122.A N ARG 136.A O no hydrogen 3.211 N/A TYR 123.A N VAL 111.A O no hydrogen 2.945 N/A ASN 124.A N ARG 133.A O no hydrogen 3.483 N/A LEU 125.A N ASN 109.A O no hydrogen 3.123 N/A SER 135.A N ILE 122.A O no hydrogen 2.866 N/A ARG 136.A NE ILE 170.A O no hydrogen 3.140 N/A LEU 138.A N CYS 120.A O no hydrogen 3.032 N/A HIS 141.A NE2 THR 158.A OG1 no hydrogen 3.122 N/A THR 142.A N ASP 162.A OD2 no hydrogen 3.313 N/A TYR 144.A OH ASP 185.A OD2 no hydrogen 3.131 N/A LEU 145.A N GLY 115.A O no hydrogen 3.023 N/A SER 146.A N SER 159.A O no hydrogen 3.042 N/A SER 146.A OG SER 159.A O no hydrogen 3.346 N/A SER 146.A OG SER 159.A OG no hydrogen 3.300 N/A SER 146.A OG VAL 186.A O no hydrogen 2.918 N/A ARG 149.A N VAL 157.A O no hydrogen 3.204 N/A ARG 149.A NH1 CYS 102.A O no hydrogen 3.418 N/A ARG 149.A NH1 CYS 148.A O no hydrogen 2.554 N/A LEU 151.A N GLN 155.A O no hydrogen 3.271 N/A ASP 152.A N GLN 155.A O no hydrogen 3.481 N/A ASN 154.A N ASP 152.A OD2 no hydrogen 2.752 N/A VAL 157.A N ARG 149.A O no hydrogen 3.485 N/A THR 158.A N ALA 166.A O no hydrogen 3.189 N/A THR 158.A OG1 HIS 141.A NE2 no hydrogen 3.122 N/A SER 159.A N CYS 147.A O no hydrogen 3.102 N/A SER 159.A OG SER 146.A OG no hydrogen 3.300 N/A SER 160.A N THR 164.A O no hydrogen 3.491 N/A SER 160.A OG HIS 141.A ND1 no hydrogen 2.696 N/A GLY 161.A N TYR 144.A O no hydrogen 2.965 N/A THR 163.A OG1 ASP 162.A O no hydrogen 2.437 N/A THR 164.A OG1 ASP 162.A OD1 no hydrogen 2.809 N/A THR 164.A OG1 ASP 162.A OD2 no hydrogen 3.175 N/A CYS 165.A N PHE 179.A O no hydrogen 3.281 N/A ALA 166.A N THR 158.A O no hydrogen 3.210 N/A LEU 167.A N THR 177.A O no hydrogen 2.957 N/A TRP 168.A N ILE 156.A O no hydrogen 3.125 N/A TRP 168.A NE1 THR 158.A OG1 no hydrogen 3.232 N/A ASP 169.A N GLN 174.A O no hydrogen 3.479 N/A ILE 170.A N ASN 154.A O no hydrogen 3.414 N/A GLY 173.A N ASP 169.A O no hydrogen 2.475 N/A THR 176.A N LEU 167.A O no hydrogen 2.851 N/A THR 178.A OG1 GLN 175.A OE1 no hydrogen 3.310 N/A PHE 179.A N CYS 165.A O no hydrogen 2.858 N/A THR 180.A OG1 THR 180.A O no hydrogen 2.596 N/A THR 183.A N ASP 204.A OD2 no hydrogen 3.298 N/A MET 187.A N GLY 201.A O no hydrogen 2.883 N/A SER 190.A N VAL 199.A O no hydrogen 3.245 N/A ALA 192.A N LEU 197.A O no hydrogen 3.278 N/A THR 195.A N ALA 192.A O no hydrogen 3.037 N/A THR 195.A OG1 ASP 194.A O no hydrogen 2.516 N/A VAL 199.A N SER 190.A O no hydrogen 3.374 N/A SER 200.A N LYS 208.A O no hydrogen 3.417 N/A SER 200.A OG HIS 182.A NE2 no hydrogen 3.360 N/A GLY 201.A N SER 188.A O no hydrogen 3.279 N/A CYS 203.A N ASP 185.A O no hydrogen 2.884 N/A CYS 203.A SG ASP 185.A O no hydrogen 3.660 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 3.073 N/A SER 206.A OG ASP 204.A OD2 no hydrogen 3.206 N/A ALA 207.A N PHE 221.A O no hydrogen 3.196 N/A LYS 208.A N SER 200.A O no hydrogen 3.385 N/A LEU 209.A N GLN 219.A O no hydrogen 3.057 N/A TRP 210.A N PHE 198.A O no hydrogen 2.955 N/A TRP 210.A NE1 SER 200.A OG no hydrogen 2.874 N/A ARG 213.A N ASP 211.A OD1 no hydrogen 3.242 N/A GLU 214.A N ASP 211.A OD1 no hydrogen 3.492 N/A GLY 215.A N ASP 211.A O no hydrogen 2.894 N/A CYS 217.A SG LEU 209.A O no hydrogen 3.839 N/A CYS 217.A SG GLN 219.A O no hydrogen 3.210 N/A CYS 217.A SG THR 220.A OG1 no hydrogen 3.759 N/A ARG 218.A N LEU 209.A O no hydrogen 3.049 N/A GLN 219.A NE2 LEU 254.A O no hydrogen 3.437 N/A PHE 221.A N ALA 207.A O no hydrogen 2.893 N/A HIS 224.A NE2 SER 244.A OG no hydrogen 2.535 N/A SER 226.A N HIS 224.A ND1 no hydrogen 3.046 N/A ASP 227.A N SER 226.A OG no hydrogen 2.757 N/A ILE 228.A N ALA 202.A O no hydrogen 3.392 N/A ASN 229.A N GLY 243.A O no hydrogen 2.843 N/A ASN 229.A ND2 ILE 272.A O no hydrogen 3.302 N/A ALA 230.A N GLY 243.A O no hydrogen 3.314 N/A CYS 232.A N ALA 241.A O no hydrogen 3.048 N/A CYS 232.A SG PHE 233.A O no hydrogen 3.798 N/A PHE 234.A N ALA 239.A O no hydrogen 2.977 N/A GLY 237.A N PHE 234.A O no hydrogen 3.239 N/A PHE 240.A N PHE 252.A O no hydrogen 3.341 N/A ALA 241.A N CYS 232.A O no hydrogen 2.950 N/A THR 242.A N ARG 250.A O no hydrogen 3.362 N/A GLY 243.A N ALA 230.A O no hydrogen 3.149 N/A SER 244.A OG HIS 224.A NE2 no hydrogen 2.535 N/A SER 244.A OG ASP 246.A OD1 no hydrogen 2.442 N/A SER 244.A OG THR 248.A O no hydrogen 3.448 N/A THR 248.A OG1 ASP 246.A O no hydrogen 3.509 N/A THR 248.A OG1 ALA 247.A O no hydrogen 2.850 N/A CYS 249.A N TYR 263.A O no hydrogen 3.326 N/A CYS 249.A SG THR 242.A O no hydrogen 3.433 N/A ARG 250.A NE GLU 259.A OE1 no hydrogen 3.287 N/A LEU 251.A N MET 261.A O no hydrogen 3.224 N/A PHE 252.A N PHE 240.A O no hydrogen 3.194 N/A ASP 253.A N GLN 258.A O no hydrogen 3.143 N/A LEU 254.A N ASN 238.A O no hydrogen 3.129 N/A ARG 255.A N ASP 253.A OD1 no hydrogen 3.253 N/A ALA 256.A N ASP 253.A OD1 no hydrogen 3.351 N/A ASP 257.A N ASP 253.A O no hydrogen 2.699 N/A LEU 260.A N LEU 251.A O no hydrogen 2.768 N/A TYR 263.A N CYS 249.A O no hydrogen 2.935 N/A TYR 263.A OH ALA 298.A O no hydrogen 3.263 N/A ASP 266.A N HIS 265.A ND1 no hydrogen 3.006 N/A ILE 268.A N HIS 265.A O no hydrogen 3.420 N/A CYS 270.A SG GLY 271.A O no hydrogen 3.982 N/A ILE 272.A N SER 244.A O no hydrogen 2.824 N/A THR 273.A N GLY 287.A O no hydrogen 3.067 N/A THR 273.A OG1 VAL 314.A O no hydrogen 2.827 N/A SER 276.A N LEU 285.A O no hydrogen 2.868 N/A SER 278.A N LEU 283.A O no hydrogen 3.106 N/A LYS 279.A NZ ASP 321.A O no hydrogen 3.519 N/A GLY 281.A N SER 278.A O no hydrogen 3.100 N/A ARG 282.A NE ASP 297.A OD1 no hydrogen 2.962 N/A LEU 285.A N SER 276.A O no hydrogen 2.963 N/A ALA 286.A N ASN 294.A O no hydrogen 3.164 N/A GLY 287.A N SER 274.A O no hydrogen 2.866 N/A ASP 289.A N GLY 271.A O no hydrogen 3.343 N/A CYS 293.A N LEU 307.A O no hydrogen 3.074 N/A ASN 294.A N ALA 286.A O no hydrogen 3.074 N/A VAL 295.A N GLY 305.A O no hydrogen 3.076 N/A TRP 296.A N LEU 284.A O no hydrogen 2.851 N/A TRP 296.A NE1 TYR 288.A OH no hydrogen 3.122 N/A ALA 298.A N ARG 282.A O no hydrogen 3.140 N/A LEU 299.A N ASP 297.A OD1 no hydrogen 3.506 N/A LYS 300.A NZ ILE 36.A O no hydrogen 3.558 N/A ALA 301.A N ASP 297.A O no hydrogen 2.758 N/A ALA 304.A N VAL 295.A O no hydrogen 2.987 N/A GLY 305.A N VAL 295.A O no hydrogen 3.442 N/A LEU 307.A N CYS 293.A O no hydrogen 3.041 N/A HIS 310.A NE2 THR 328.A OG1 no hydrogen 2.963 N/A ARG 313.A N ASN 312.A OD1 no hydrogen 2.695 N/A SER 315.A N GLY 329.A O no hydrogen 3.246 N/A SER 315.A OG ILE 57.A O no hydrogen 2.682 N/A GLY 318.A N ALA 327.A O no hydrogen 3.039 N/A THR 320.A N ALA 325.A O no hydrogen 3.306 N/A THR 320.A OG1 ASP 322.A OD1 no hydrogen 2.700 N/A GLY 323.A N THR 320.A O no hydrogen 3.244 N/A MET 324.A N ASP 322.A OD1 no hydrogen 3.375 N/A VAL 326.A N TRP 338.A O no hydrogen 2.893 N/A ALA 327.A N GLY 318.A O no hydrogen 3.070 N/A THR 328.A N LYS 336.A O no hydrogen 3.040 N/A THR 328.A OG1 HIS 310.A NE2 no hydrogen 2.963 N/A GLY 329.A N CYS 316.A O no hydrogen 3.312 N/A SER 330.A OG ASN 312.A O no hydrogen 3.065 N/A SER 330.A OG ARG 313.A O no hydrogen 2.411 N/A SER 330.A OG ASP 332.A OD1 no hydrogen 3.080 N/A TRP 331.A N ARG 313.A O no hydrogen 2.660 N/A SER 333.A OG HIS 53.A O no hydrogen 3.304 N/A LEU 335.A N LEU 50.A O no hydrogen 3.209 N/A LYS 336.A N THR 328.A O no hydrogen 3.193 N/A LYS 336.A NZ GLY 309.A O no hydrogen 2.382 N/A ILE 337.A N ARG 48.A O no hydrogen 3.248 N/A TRP 338.A N VAL 326.A O no hydrogen 2.593 N/A