Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ncy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLY 2.A O no hydrogen 3.516 N/A VAL 1.A N VAL 203.A O no hydrogen 2.943 N/A VAL 6.A N LEU 3.A O no hydrogen 2.897 N/A THR 7.A N LEU 3.A O no hydrogen 2.861 N/A THR 7.A OG1 LEU 3.A O no hydrogen 3.480 N/A THR 7.A OG1 ILE 4.A O no hydrogen 3.095 N/A VAL 10.A N VAL 6.A O no hydrogen 2.985 N/A SER 11.A OG THR 7.A O no hydrogen 3.121 N/A SER 11.A OG LEU 8.A O no hydrogen 2.889 N/A GLY 12.A N LEU 8.A O no hydrogen 2.654 N/A ASN 13.A N MET 9.A O no hydrogen 2.745 N/A ASN 13.A ND2 SER 195.A OG no hydrogen 3.325 N/A ILE 14.A N SER 11.A O no hydrogen 2.983 N/A MET 15.A N SER 11.A O no hydrogen 3.120 N/A SER 17.A OG SER 17.A O no hydrogen 2.631 N/A ASN 25.A N LEU 21.A O no hydrogen 3.281 N/A ASN 25.A N LEU 22.A O no hydrogen 2.821 N/A LEU 26.A N LEU 22.A O no hydrogen 2.863 N/A LEU 26.A N PRO 23.A O no hydrogen 2.825 N/A ALA 27.A N PRO 23.A O no hydrogen 3.352 N/A THR 29.A OG1 GLY 166.A O no hydrogen 3.047 N/A GLY 31.A N THR 29.A OG1 no hydrogen 3.295 N/A TRP 37.A N ALA 33.A O no hydrogen 3.198 N/A THR 40.A N GLY 36.A O no hydrogen 3.332 N/A THR 40.A OG1 GLY 36.A O no hydrogen 3.278 N/A THR 40.A OG1 THR 186.A OG1 no hydrogen 2.748 N/A ILE 41.A N TRP 37.A O no hydrogen 2.750 N/A ILE 42.A N LEU 38.A O no hydrogen 2.745 N/A GLY 43.A N VAL 39.A O no hydrogen 3.167 N/A ALA 44.A N THR 40.A O no hydrogen 2.695 N/A LEU 45.A N ILE 41.A O no hydrogen 2.717 N/A ALA 46.A N ILE 42.A O no hydrogen 3.014 N/A LEU 47.A N GLY 43.A O no hydrogen 3.278 N/A SER 48.A N ALA 44.A O no hydrogen 3.096 N/A SER 48.A OG LEU 45.A O no hydrogen 2.523 N/A MET 49.A N LEU 45.A O no hydrogen 2.969 N/A VAL 50.A N ALA 46.A O no hydrogen 3.160 N/A TYR 51.A N LEU 47.A O no hydrogen 3.084 N/A TYR 51.A OH SER 64.A OG no hydrogen 2.690 N/A ALA 52.A N SER 48.A O no hydrogen 3.057 N/A LYS 53.A N MET 49.A O no hydrogen 2.791 N/A LYS 53.A NZ HIS 360.A O no hydrogen 3.451 N/A MET 54.A N VAL 50.A O no hydrogen 2.757 N/A SER 55.A N TYR 51.A O no hydrogen 3.051 N/A SER 55.A OG TYR 51.A O no hydrogen 2.878 N/A SER 55.A OG ALA 52.A O no hydrogen 3.001 N/A SER 56.A N LYS 53.A O no hydrogen 2.970 N/A SER 56.A OG LYS 53.A O no hydrogen 2.613 N/A LEU 57.A N LYS 53.A O no hydrogen 3.197 N/A SER 60.A OG ASP 58.A O no hydrogen 3.529 N/A SER 60.A OG ASP 58.A OD1 no hydrogen 2.999 N/A SER 64.A OG TYR 51.A OH no hydrogen 2.690 N/A TYR 65.A OH ASP 293.A OD2 no hydrogen 3.026 N/A TYR 67.A OH ASP 58.A O no hydrogen 3.271 N/A ALA 68.A N SER 64.A O no hydrogen 2.751 N/A ARG 69.A N TYR 65.A O no hydrogen 2.784 N/A ARG 70.A N ALA 66.A O no hydrogen 3.083 N/A CYS 71.A N TYR 67.A O no hydrogen 2.911 N/A CYS 71.A SG ALA 351.A O no hydrogen 3.834 N/A PHE 72.A N ALA 68.A O no hydrogen 2.945 N/A GLY 73.A N ARG 69.A O no hydrogen 2.637 N/A TYR 78.A N PRO 74.A O no hydrogen 2.796 N/A GLN 79.A N PHE 75.A O no hydrogen 2.866 N/A THR 80.A N LEU 76.A O no hydrogen 2.823 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.670 N/A ASN 81.A N GLY 77.A O no hydrogen 2.906 N/A VAL 82.A N TYR 78.A O no hydrogen 3.218 N/A LEU 83.A N GLN 79.A O no hydrogen 3.214 N/A TYR 84.A N THR 80.A O no hydrogen 3.232 N/A TYR 84.A OH GLU 194.A OE1 no hydrogen 2.622 N/A TRP 85.A N ASN 81.A O no hydrogen 2.650 N/A LEU 86.A N VAL 82.A O no hydrogen 2.848 N/A ALA 87.A N LEU 83.A O no hydrogen 3.048 N/A CYS 88.A N TRP 85.A O no hydrogen 3.263 N/A CYS 88.A SG TYR 84.A O no hydrogen 3.212 N/A ILE 90.A N LEU 86.A O no hydrogen 2.842 N/A ASN 92.A N TRP 89.A O no hydrogen 3.027 N/A ASN 92.A ND2 LEU 276.A O no hydrogen 3.424 N/A MET 95.A N ASN 92.A O no hydrogen 2.870 N/A VAL 96.A N ASN 92.A O no hydrogen 3.202 N/A ILE 98.A N ALA 94.A O no hydrogen 3.483 N/A GLY 99.A N MET 95.A O no hydrogen 2.801 N/A VAL 100.A N VAL 96.A O no hydrogen 2.738 N/A GLY 101.A N VAL 97.A O no hydrogen 2.825 N/A TYR 102.A N GLY 99.A O no hydrogen 3.077 N/A LEU 103.A N VAL 100.A O no hydrogen 2.884 N/A SER 104.A N VAL 100.A O no hydrogen 3.061 N/A SER 104.A OG VAL 100.A O no hydrogen 3.168 N/A VAL 115.A N ASP 112.A O no hydrogen 3.010 N/A LEU 116.A N ASP 112.A O no hydrogen 2.976 N/A THR 117.A N PRO 113.A O no hydrogen 3.110 N/A THR 119.A OG1 VAL 115.A O no hydrogen 3.336 N/A THR 119.A OG1 LEU 116.A O no hydrogen 3.106 N/A CYS 120.A N LEU 116.A O no hydrogen 3.142 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.410 N/A VAL 121.A N THR 117.A O no hydrogen 3.365 N/A ALA 122.A N LEU 118.A O no hydrogen 2.841 N/A VAL 123.A N THR 119.A O no hydrogen 3.035 N/A LEU 124.A N CYS 120.A O no hydrogen 2.772 N/A TRP 125.A N VAL 121.A O no hydrogen 3.321 N/A ILE 126.A N ALA 122.A O no hydrogen 3.162 N/A PHE 127.A N VAL 123.A O no hydrogen 3.293 N/A PHE 127.A N LEU 124.A O no hydrogen 2.849 N/A VAL 128.A N LEU 124.A O no hydrogen 2.876 N/A LEU 129.A N TRP 125.A O no hydrogen 2.928 N/A ASN 131.A N PHE 127.A O no hydrogen 3.225 N/A ILE 132.A N VAL 128.A O no hydrogen 3.337 N/A ILE 138.A N GLY 134.A O no hydrogen 2.694 N/A THR 139.A N PRO 135.A O no hydrogen 3.331 N/A THR 139.A OG1 PRO 135.A O no hydrogen 2.873 N/A THR 139.A OG1 LYS 136.A O no hydrogen 2.620 N/A ARG 140.A N LYS 136.A O no hydrogen 2.923 N/A VAL 141.A N MET 137.A O no hydrogen 3.085 N/A GLN 142.A N ILE 138.A O no hydrogen 3.031 N/A GLN 142.A NE2 MET 9.A O no hydrogen 3.679 N/A GLN 142.A NE2 ASN 13.A OD1 no hydrogen 2.858 N/A ALA 143.A N THR 139.A O no hydrogen 3.016 N/A VAL 144.A N ARG 140.A O no hydrogen 2.884 N/A ALA 145.A N VAL 141.A O no hydrogen 2.845 N/A THR 146.A N GLN 142.A O no hydrogen 2.742 N/A THR 146.A OG1 GLN 142.A O no hydrogen 2.748 N/A THR 146.A OG1 ALA 143.A O no hydrogen 3.364 N/A LEU 148.A N VAL 144.A O no hydrogen 3.137 N/A ALA 149.A N ALA 145.A O no hydrogen 2.900 N/A LEU 150.A N VAL 147.A O no hydrogen 3.123 N/A VAL 151.A N VAL 147.A O no hydrogen 3.158 N/A VAL 151.A N LEU 148.A O no hydrogen 3.051 N/A VAL 154.A N LEU 150.A O no hydrogen 2.642 N/A GLY 155.A N VAL 151.A O no hydrogen 2.847 N/A ILE 156.A N ILE 153.A O no hydrogen 3.245 N/A ALA 157.A N GLY 155.A O no hydrogen 3.048 N/A TRP 168.A N THR 29.A OG1 no hydrogen 2.749 N/A ASN 169.A N THR 29.A OG1 no hydrogen 3.032 N/A ALA 178.A N ASN 174.A O no hydrogen 2.818 N/A ILE 179.A N THR 175.A O no hydrogen 3.170 N/A GLN 180.A N PHE 176.A O no hydrogen 3.178 N/A SER 181.A OG ALA 178.A O no hydrogen 2.770 N/A THR 182.A N ILE 179.A O no hydrogen 3.051 N/A THR 182.A OG1 ALA 178.A O no hydrogen 3.070 N/A LEU 183.A N ILE 179.A O no hydrogen 3.137 N/A VAL 185.A N THR 182.A O no hydrogen 3.138 N/A THR 186.A N THR 182.A O no hydrogen 3.226 N/A THR 186.A OG1 THR 40.A OG1 no hydrogen 2.748 N/A THR 186.A OG1 THR 182.A O no hydrogen 3.208 N/A LEU 187.A N LEU 183.A O no hydrogen 2.895 N/A SER 189.A N THR 186.A O no hydrogen 3.121 N/A SER 189.A OG THR 186.A O no hydrogen 2.556 N/A SER 195.A OG GLY 192.A O no hydrogen 2.593 N/A SER 195.A OG VAL 193.A O no hydrogen 3.345 N/A VAL 198.A N GLU 194.A O no hydrogen 3.399 N/A ALA 199.A N SER 195.A O no hydrogen 3.228 N/A ALA 200.A N SER 197.A O no hydrogen 3.246 N/A LYS 204.A N VAL 202.A O no hydrogen 2.514 N/A ASN 209.A ND2 ASN 205.A O no hydrogen 2.610 N/A ILE 212.A N ARG 208.A O no hydrogen 3.043 N/A ALA 213.A N ASN 209.A O no hydrogen 2.857 N/A THR 214.A N VAL 210.A O no hydrogen 2.814 N/A THR 214.A OG1 VAL 210.A O no hydrogen 2.789 N/A ILE 215.A N PRO 211.A O no hydrogen 3.359 N/A GLY 216.A N ILE 212.A O no hydrogen 2.745 N/A GLY 217.A N ALA 213.A O no hydrogen 2.863 N/A LEU 219.A N ILE 215.A O no hydrogen 2.959 N/A ILE 220.A N GLY 216.A O no hydrogen 2.838 N/A ILE 220.A N GLY 217.A O no hydrogen 3.249 N/A ALA 221.A N GLY 217.A O no hydrogen 2.904 N/A ALA 222.A N VAL 218.A O no hydrogen 2.688 N/A VAL 223.A N LEU 219.A O no hydrogen 3.438 N/A CYS 224.A N ILE 220.A O no hydrogen 3.055 N/A CYS 224.A SG ILE 220.A O no hydrogen 3.195 N/A TYR 225.A N ALA 221.A O no hydrogen 3.216 N/A TYR 225.A OH SER 189.A O no hydrogen 3.056 N/A VAL 226.A N ALA 222.A O no hydrogen 3.321 N/A LEU 227.A N VAL 223.A O no hydrogen 2.701 N/A SER 228.A N TYR 225.A O no hydrogen 3.026 N/A THR 229.A N TYR 225.A O no hydrogen 2.790 N/A THR 229.A OG1 TYR 225.A O no hydrogen 2.831 N/A THR 230.A OG1 VAL 226.A O no hydrogen 2.620 N/A MET 233.A N THR 229.A O no hydrogen 3.403 N/A ARG 242.A N ALA 239.A O no hydrogen 3.036 N/A SER 244.A N ALA 240.A O no hydrogen 2.947 N/A SER 246.A OG ARG 242.A O no hydrogen 3.472 N/A ARG 253.A N ASP 250.A O no hydrogen 3.278 N/A ARG 253.A NE THR 259.A O no hydrogen 2.772 N/A ARG 253.A NH2 ASP 258.A O no hydrogen 3.249 N/A ASP 258.A N ARG 253.A O no hydrogen 3.283 N/A SER 265.A OG TYR 102.A O no hydrogen 2.709 N/A CYS 267.A N VAL 264.A O no hydrogen 3.165 N/A CYS 267.A SG LEU 148.A O no hydrogen 3.495 N/A CYS 267.A SG ILE 263.A O no hydrogen 3.931 N/A CYS 267.A SG VAL 264.A O no hydrogen 3.250 N/A ALA 268.A N VAL 264.A O no hydrogen 2.979 N/A ALA 270.A N CYS 267.A O no hydrogen 2.919 N/A GLY 271.A N CYS 267.A O no hydrogen 3.004 N/A CYS 272.A SG GLY 16.A O no hydrogen 3.803 N/A CYS 272.A SG MET 95.A O no hydrogen 3.203 N/A LEU 273.A N ALA 269.A O no hydrogen 3.300 N/A LEU 273.A N ALA 270.A O no hydrogen 3.207 N/A GLY 274.A N ALA 270.A O no hydrogen 2.679 N/A SER 275.A OG CYS 272.A O no hydrogen 3.117 N/A LEU 276.A N LEU 273.A O no hydrogen 3.177 N/A THR 280.A N LEU 276.A O no hydrogen 3.292 N/A THR 280.A OG1 LEU 276.A O no hydrogen 3.213 N/A THR 280.A OG1 GLY 277.A O no hydrogen 2.668 N/A LEU 281.A N GLY 277.A O no hydrogen 2.780 N/A LEU 282.A N GLY 278.A O no hydrogen 3.165 N/A ALA 283.A N TRP 279.A O no hydrogen 2.861 N/A GLY 284.A N THR 280.A O no hydrogen 3.177 N/A GLN 285.A N LEU 281.A O no hydrogen 3.083 N/A GLN 285.A NE2 VAL 198.A O no hydrogen 3.614 N/A THR 286.A N LEU 282.A O no hydrogen 2.908 N/A THR 286.A OG1 ASN 81.A OD1 no hydrogen 2.696 N/A ALA 287.A N ALA 283.A O no hydrogen 3.183 N/A LYS 288.A N GLY 284.A O no hydrogen 2.840 N/A ALA 289.A N GLN 285.A O no hydrogen 2.846 N/A ALA 290.A N THR 286.A O no hydrogen 3.128 N/A ALA 291.A N ALA 287.A O no hydrogen 2.785 N/A ASP 292.A N LYS 288.A O no hydrogen 2.646 N/A ASP 293.A N ALA 290.A O no hydrogen 2.794 N/A PHE 296.A N TYR 409.A OH no hydrogen 2.628 N/A PHE 300.A N PRO 297.A O no hydrogen 3.486 N/A ALA 301.A N PRO 298.A O no hydrogen 2.879 N/A ILE 310.A N GLY 307.A O no hydrogen 3.239 N/A VAL 313.A N LEU 309.A O no hydrogen 2.741 N/A LEU 314.A N ILE 310.A O no hydrogen 3.252 N/A MET 315.A N VAL 311.A O no hydrogen 2.863 N/A THR 316.A N GLY 312.A O no hydrogen 3.126 N/A THR 316.A OG1 GLY 312.A O no hydrogen 2.938 N/A THR 316.A OG1 VAL 313.A O no hydrogen 2.699 N/A ILE 317.A N VAL 313.A O no hydrogen 3.225 N/A PHE 318.A N LEU 314.A O no hydrogen 2.947 N/A GLN 319.A N THR 316.A O no hydrogen 2.945 N/A PHE 320.A N THR 316.A O no hydrogen 3.036 N/A SER 321.A N ILE 317.A O no hydrogen 3.225 N/A SER 321.A OG ILE 317.A O no hydrogen 3.230 N/A SER 322.A OG PHE 318.A O no hydrogen 3.183 N/A SER 322.A OG GLN 319.A O no hydrogen 2.872 N/A MET 323.A N PHE 320.A O no hydrogen 3.314 N/A SER 324.A N PHE 320.A O no hydrogen 3.390 N/A GLY 332.A N ALA 328.A O no hydrogen 2.925 N/A VAL 334.A N GLU 330.A O no hydrogen 3.083 N/A SER 336.A N LEU 333.A O no hydrogen 2.837 N/A SER 336.A OG LEU 333.A O no hydrogen 2.687 N/A VAL 337.A N LEU 333.A O no hydrogen 3.223 N/A VAL 337.A N VAL 334.A O no hydrogen 3.135 N/A SER 338.A N VAL 334.A O no hydrogen 3.297 N/A SER 338.A OG SER 335.A O no hydrogen 3.166 N/A VAL 339.A N SER 336.A O no hydrogen 3.395 N/A ILE 340.A N VAL 337.A O no hydrogen 2.853 N/A PHE 341.A N VAL 337.A O no hydrogen 3.409 N/A LEU 343.A N ILE 340.A O no hydrogen 2.862 N/A VAL 344.A N PHE 341.A O no hydrogen 3.135 N/A LEU 347.A N LEU 343.A O no hydrogen 3.044 N/A TYR 348.A N VAL 344.A O no hydrogen 3.156 N/A THR 349.A N PRO 345.A O no hydrogen 2.977 N/A THR 349.A OG1 TYR 51.A OH no hydrogen 2.612 N/A THR 349.A OG1 PRO 345.A O no hydrogen 2.596 N/A CYS 350.A SG TYR 346.A O no hydrogen 3.303 N/A ALA 351.A N LEU 347.A O no hydrogen 3.251 N/A ALA 352.A N TYR 348.A O no hydrogen 2.705 N/A ALA 352.A N THR 349.A O no hydrogen 3.056 N/A LEU 353.A N THR 349.A O no hydrogen 2.954 N/A LEU 354.A N CYS 350.A O no hydrogen 3.288 N/A LEU 355.A N ALA 351.A O no hydrogen 2.925 N/A LEU 356.A N ALA 352.A O no hydrogen 2.731 N/A TYR 368.A N ALA 364.A O no hydrogen 3.140 N/A LEU 369.A N ARG 365.A O no hydrogen 2.610 N/A LEU 370.A N LEU 367.A O no hydrogen 3.379 N/A ILE 371.A N LEU 367.A O no hydrogen 3.143 N/A THR 372.A N TYR 368.A O no hydrogen 3.118 N/A THR 372.A OG1 TYR 368.A O no hydrogen 2.963 N/A PHE 373.A N LEU 370.A O no hydrogen 2.885 N/A VAL 374.A N LEU 370.A O no hydrogen 2.978 N/A ALA 375.A N ILE 371.A O no hydrogen 3.105 N/A PHE 376.A N THR 372.A O no hydrogen 3.077 N/A VAL 377.A N PHE 373.A O no hydrogen 3.149 N/A TYR 378.A N VAL 374.A O no hydrogen 2.715 N/A TYR 378.A OH LEU 187.A O no hydrogen 2.630 N/A CYS 379.A N ALA 375.A O no hydrogen 3.182 N/A CYS 379.A SG ALA 375.A O no hydrogen 3.294 N/A ILE 380.A N PHE 376.A O no hydrogen 3.023 N/A TRP 381.A N VAL 377.A O no hydrogen 2.914 N/A ALA 382.A N TYR 378.A O no hydrogen 3.066 N/A VAL 383.A N CYS 379.A O no hydrogen 3.256 N/A ILE 384.A N ILE 380.A O no hydrogen 3.060 N/A GLY 385.A N TRP 381.A O no hydrogen 2.786 N/A SER 386.A N ILE 384.A O no hydrogen 2.827 N/A SER 386.A OG ALA 382.A O no hydrogen 2.637 N/A SER 386.A OG GLY 385.A O no hydrogen 2.698 N/A MET 392.A N ALA 388.A O no hydrogen 3.070 N/A TRP 393.A N GLU 390.A O no hydrogen 3.193 N/A SER 394.A N GLU 390.A O no hydrogen 3.424 N/A PHE 395.A N VAL 391.A O no hydrogen 3.030 N/A VAL 396.A N MET 392.A O no hydrogen 3.127 N/A THR 397.A N TRP 393.A O no hydrogen 2.947 N/A THR 397.A N SER 394.A O no hydrogen 3.121 N/A THR 397.A OG1 TRP 393.A O no hydrogen 2.818 N/A LEU 398.A N SER 394.A O no hydrogen 3.192 N/A MET 399.A N PHE 395.A O no hydrogen 2.929 N/A VAL 400.A N VAL 396.A O no hydrogen 2.953 N/A ILE 401.A N THR 397.A O no hydrogen 2.695 N/A THR 402.A N LEU 398.A O no hydrogen 2.945 N/A THR 402.A OG1 LEU 398.A O no hydrogen 3.212 N/A ALA 403.A N MET 399.A O no hydrogen 3.377 N/A LEU 404.A N VAL 400.A O no hydrogen 2.672 N/A TYR 405.A N ILE 401.A O no hydrogen 2.855 N/A TYR 405.A N THR 402.A O no hydrogen 3.013 N/A TYR 405.A OH HIS 413.A ND1 no hydrogen 2.799 N/A ALA 406.A N THR 402.A O no hydrogen 3.061 N/A ASN 408.A N TYR 405.A O no hydrogen 3.057 N/A TYR 409.A N TYR 405.A O no hydrogen 2.958 N/A HIS 413.A N TYR 409.A O no hydrogen 2.895 N/A HIS 413.A ND1 TYR 405.A OH no hydrogen 2.799 N/A