Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7nac_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 5.A OE1 no hydrogen 2.936 N/A GLU 1.A N GLU 5.A OE2 no hydrogen 2.875 N/A LYS 2.A N GLU 5.A OE2 no hydrogen 2.645 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.541 N/A GLU 5.A N LYS 2.A O no hydrogen 3.365 N/A LEU 6.A N PHE 3.A O no hydrogen 3.142 N/A LEU 8.A N LEU 6.A O no hydrogen 3.198 N/A SER 9.A OG HIS 64.A NE2 no hydrogen 3.316 N/A THR 12.A OG1 GLU 61.A OE2 no hydrogen 2.305 N/A THR 12.A OG1 HIS 100.A NE2 no hydrogen 3.154 N/A LEU 13.A N SER 9.A O no hydrogen 3.068 N/A LYS 14.A N GLN 10.A O no hydrogen 3.098 N/A ALA 15.A N THR 12.A O no hydrogen 3.168 N/A ILE 16.A N THR 12.A O no hydrogen 3.054 N/A GLU 17.A N LEU 13.A O no hydrogen 2.939 N/A MET 19.A N ALA 15.A O no hydrogen 3.116 N/A GLY 20.A N ILE 16.A O no hydrogen 3.314 N/A PHE 21.A N ILE 16.A O no hydrogen 3.271 N/A THR 25.A N GLN 28.A OE1 no hydrogen 3.231 N/A THR 31.A OG1 VAL 27.A O no hydrogen 2.715 N/A ILE 32.A N GLN 28.A O no hydrogen 3.392 N/A LEU 35.A N THR 31.A O no hydrogen 3.267 N/A LEU 36.A N ILE 32.A O no hydrogen 2.918 N/A ALA 37.A N PRO 33.A O no hydrogen 3.453 N/A GLY 38.A N PRO 34.A O no hydrogen 3.374 N/A ARG 39.A N PRO 34.A O no hydrogen 3.260 N/A LEU 42.A N LEU 207.A O no hydrogen 3.003 N/A SER 49.A N LYS 46.A O no hydrogen 3.318 N/A SER 49.A OG LYS 46.A O no hydrogen 3.017 N/A LYS 51.A NZ ALA 45.A O no hydrogen 2.716 N/A ALA 54.A N LYS 51.A O no hydrogen 2.963 N/A PHE 55.A N LYS 51.A O no hydrogen 3.401 N/A ILE 57.A N LEU 53.A O no hydrogen 3.156 N/A ILE 60.A N LEU 56.A O no hydrogen 3.306 N/A GLU 61.A N ILE 57.A O no hydrogen 3.304 N/A LEU 62.A N PRO 58.A O no hydrogen 2.456 N/A LEU 63.A N ALA 59.A O no hydrogen 2.762 N/A HIS 64.A N ILE 60.A O no hydrogen 2.701 N/A SER 65.A N GLU 61.A O no hydrogen 3.006 N/A SER 65.A OG GLU 61.A O no hydrogen 3.545 N/A SER 65.A OG LEU 62.A O no hydrogen 2.976 N/A LEU 66.A N LEU 62.A O no hydrogen 3.463 N/A LYS 67.A N LEU 63.A O no hydrogen 3.029 N/A LYS 67.A N HIS 64.A O no hydrogen 3.203 N/A LYS 69.A N ASN 72.A OD1 no hydrogen 2.742 N/A ASN 72.A N LYS 69.A O no hydrogen 2.902 N/A GLY 73.A N PRO 70.A O no hydrogen 3.210 N/A THR 74.A N VAL 145.A O no hydrogen 3.072 N/A THR 74.A OG1 ASN 125.A O no hydrogen 3.245 N/A GLY 75.A N ASN 125.A O no hydrogen 2.602 N/A ILE 76.A N ASN 125.A O no hydrogen 3.336 N/A VAL 78.A N LEU 127.A O no hydrogen 3.191 N/A ILE 79.A N ILE 153.A O no hydrogen 3.039 N/A THR 80.A N ALA 129.A O no hydrogen 3.135 N/A THR 80.A OG1 ALA 129.A O no hydrogen 3.216 N/A THR 82.A OG1 ASP 316.A OD2 no hydrogen 3.269 N/A ARG 83.A NE GLY 109.A O no hydrogen 2.444 N/A ARG 83.A NH2 GLY 109.A O no hydrogen 3.458 N/A ALA 86.A N THR 82.A O no hydrogen 3.328 N/A LEU 87.A N ARG 83.A O no hydrogen 2.921 N/A GLN 88.A N GLU 84.A O no hydrogen 2.980 N/A ILE 89.A N LEU 85.A O no hydrogen 3.213 N/A PHE 90.A N ALA 86.A O no hydrogen 3.050 N/A GLY 91.A N LEU 87.A O no hydrogen 3.188 N/A GLY 91.A N GLN 88.A O no hydrogen 3.129 N/A VAL 92.A N GLN 88.A O no hydrogen 3.319 N/A ALA 93.A N ILE 89.A O no hydrogen 2.767 N/A ARG 94.A N PHE 90.A O no hydrogen 3.250 N/A ARG 94.A NE PHE 90.A O no hydrogen 3.305 N/A GLU 95.A N GLY 91.A O no hydrogen 3.218 N/A LEU 96.A N VAL 92.A O no hydrogen 2.719 N/A MET 97.A N ARG 94.A O no hydrogen 3.383 N/A HIS 100.A NE2 THR 12.A OG1 no hydrogen 3.154 N/A GLN 102.A NE2 PHE 68.A O no hydrogen 3.483 N/A THR 103.A N ASN 125.A OD1 no hydrogen 2.870 N/A THR 103.A OG1 ASN 125.A OD1 no hydrogen 3.440 N/A VAL 107.A N ILE 128.A O no hydrogen 2.801 N/A ILE 108.A N GLU 116.A OE2 no hydrogen 3.091 N/A ARG 113.A NH2 ASP 136.A OD1 no hydrogen 2.259 N/A ARG 114.A N ASN 112.A OD1 no hydrogen 3.275 N/A GLU 116.A N ASN 112.A O no hydrogen 3.146 N/A ALA 117.A N ARG 113.A O no hydrogen 3.016 N/A GLU 118.A N ARG 114.A O no hydrogen 3.146 N/A LYS 119.A N GLN 115.A O no hydrogen 3.214 N/A LEU 120.A N GLU 116.A O no hydrogen 3.154 N/A MET 121.A N ALA 117.A O no hydrogen 3.071 N/A MET 121.A N GLU 118.A O no hydrogen 3.179 N/A LYS 122.A N GLU 118.A O no hydrogen 3.491 N/A GLY 123.A N LYS 119.A O no hydrogen 3.424 N/A ASN 125.A ND2 LYS 69.A O no hydrogen 3.060 N/A ASN 125.A ND2 GLY 73.A O no hydrogen 3.340 N/A MET 126.A N THR 103.A O no hydrogen 2.703 N/A LEU 127.A N ILE 76.A O no hydrogen 2.960 N/A ILE 128.A N GLY 105.A O no hydrogen 2.805 N/A ALA 129.A N VAL 78.A O no hydrogen 2.957 N/A ARG 133.A NH1 ALA 111.A O no hydrogen 3.462 N/A ARG 133.A NH2 ALA 111.A O no hydrogen 3.155 N/A LEU 134.A N THR 130.A O no hydrogen 3.142 N/A HIS 137.A N ARG 133.A O no hydrogen 3.140 N/A LEU 138.A N LEU 134.A O no hydrogen 2.650 N/A ASN 140.A N ASP 136.A O no hydrogen 2.784 N/A ASN 140.A ND2 ASP 136.A OD1 no hydrogen 3.027 N/A LYS 150.A N GLY 75.A O no hydrogen 3.151 N/A LYS 150.A NZ ASP 180.A OD2 no hydrogen 3.015 N/A ALA 151.A N GLY 75.A O no hydrogen 3.318 N/A ILE 153.A N ILE 77.A O no hydrogen 2.655 N/A ILE 154.A N MET 184.A O no hydrogen 3.044 N/A ASP 155.A N ILE 79.A O no hydrogen 2.996 N/A ALA 157.A N PHE 186.A O no hydrogen 2.786 N/A ASP 158.A N SER 187.A OG no hydrogen 3.095 N/A ILE 160.A N GLU 156.A O no hydrogen 3.072 N/A LEU 161.A N ALA 157.A O no hydrogen 2.861 N/A GLU 162.A N ASP 158.A O no hydrogen 2.971 N/A ILE 163.A N ARG 159.A O no hydrogen 3.154 N/A PHE 165.A N ILE 160.A O no hydrogen 3.148 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.636 N/A MET 169.A N PHE 165.A O no hydrogen 2.951 N/A ARG 170.A N GLU 166.A O no hydrogen 3.061 N/A ARG 170.A NH2 ASP 167.A OD1 no hydrogen 3.463 N/A GLN 171.A N ASP 167.A O no hydrogen 3.423 N/A ILE 172.A N GLU 168.A O no hydrogen 3.148 N/A ILE 173.A N MET 169.A O no hydrogen 3.361 N/A LYS 174.A N ARG 170.A O no hydrogen 3.373 N/A ILE 175.A N ILE 172.A O no hydrogen 3.433 N/A LEU 176.A N ILE 172.A O no hydrogen 3.224 N/A ARG 181.A NE PRO 177.A O no hydrogen 2.632 N/A ARG 181.A NH2 PRO 177.A O no hydrogen 3.255 N/A GLN 182.A N LYS 150.A O no hydrogen 3.222 N/A SER 183.A OG ASP 40.A OD2 no hydrogen 3.362 N/A SER 183.A OG SER 201.A O no hydrogen 2.486 N/A SER 187.A N GLY 43.A O no hydrogen 3.413 N/A SER 187.A OG PHE 186.A O no hydrogen 2.570 N/A VAL 194.A N THR 191.A O no hydrogen 3.023 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 3.274 N/A ASP 196.A N THR 192.A O no hydrogen 3.039 N/A LEU 197.A N LYS 193.A O no hydrogen 2.933 N/A ALA 198.A N VAL 194.A O no hydrogen 3.052 N/A ARG 199.A N GLU 195.A O no hydrogen 2.827 N/A ARG 199.A NE ASP 196.A OD1 no hydrogen 3.147 N/A SER 201.A N ALA 198.A O no hydrogen 3.053 N/A SER 201.A OG LEU 197.A O no hydrogen 2.255 N/A ARG 203.A N ASP 40.A OD2 no hydrogen 2.941 N/A ARG 203.A NH1 GLY 38.A O no hydrogen 3.078 N/A LEU 207.A N ASP 40.A O no hydrogen 3.178 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 3.063 N/A GLN 214.A N PRO 354.A O no hydrogen 2.999 N/A GLY 215.A N SER 333.A O no hydrogen 2.874 N/A TYR 216.A N ASN 356.A O no hydrogen 3.188 N/A VAL 217.A N MET 335.A O no hydrogen 2.986 N/A CYS 219.A N LEU 337.A O no hydrogen 2.697 N/A CYS 219.A SG ASP 220.A O no hydrogen 3.521 N/A SER 221.A N ASP 220.A OD1 no hydrogen 2.858 N/A ASP 222.A N ASP 222.A OD1 no hydrogen 2.478 N/A LYS 223.A N ASP 220.A O no hydrogen 3.122 N/A LYS 223.A NZ ASP 222.A OD2 no hydrogen 3.198 N/A ARG 224.A N SER 221.A O no hydrogen 3.443 N/A ARG 224.A NH2 PHE 312.A O no hydrogen 3.055 N/A ARG 224.A NH2 ASP 313.A OD1 no hydrogen 2.455 N/A LEU 227.A N LYS 223.A O no hydrogen 2.938 N/A LEU 228.A N ARG 224.A O no hydrogen 3.065 N/A PHE 229.A N PHE 225.A O no hydrogen 2.879 N/A SER 230.A OG LEU 226.A O no hydrogen 2.838 N/A PHE 231.A N LEU 227.A O no hydrogen 3.087 N/A LEU 232.A N LEU 228.A O no hydrogen 2.996 N/A LYS 233.A N PHE 229.A O no hydrogen 2.956 N/A ARG 234.A N SER 230.A O no hydrogen 3.018 N/A ARG 234.A NH1 ARG 234.A O no hydrogen 3.100 N/A ASN 235.A N PHE 231.A O no hydrogen 3.147 N/A ASN 235.A N LEU 232.A O no hydrogen 3.217 N/A LYS 238.A N ASN 235.A O no hydrogen 3.466 N/A LYS 239.A NZ PHE 283.A O no hydrogen 2.931 N/A LYS 239.A NZ ALA 286.A O no hydrogen 3.307 N/A ILE 240.A N GLY 289.A O no hydrogen 3.300 N/A ILE 241.A N TRP 308.A O no hydrogen 3.058 N/A VAL 242.A N LEU 291.A O no hydrogen 2.884 N/A PHE 243.A N ILE 310.A O no hydrogen 2.864 N/A LEU 244.A N CYS 293.A O no hydrogen 2.820 N/A SER 245.A N ASP 313.A OD2 no hydrogen 3.398 N/A SER 245.A OG ASP 313.A OD2 no hydrogen 2.782 N/A SER 246.A OG SER 249.A OG no hydrogen 2.836 N/A SER 246.A OG SER 392.A OG no hydrogen 2.471 N/A CYS 247.A SG GLU 84.A OE1 no hydrogen 3.271 N/A SER 249.A N SER 246.A OG no hydrogen 3.023 N/A SER 249.A OG SER 246.A O no hydrogen 3.122 N/A SER 249.A OG SER 246.A OG no hydrogen 2.836 N/A VAL 250.A N SER 246.A O no hydrogen 3.297 N/A LYS 251.A N CYS 247.A O no hydrogen 3.175 N/A TYR 253.A N SER 249.A O no hydrogen 3.227 N/A ALA 254.A N VAL 250.A O no hydrogen 3.081 N/A GLU 255.A N LYS 251.A O no hydrogen 3.022 N/A LEU 256.A N TYR 252.A O no hydrogen 2.651 N/A LEU 257.A N TYR 253.A O no hydrogen 2.823 N/A ASN 258.A N ALA 254.A O no hydrogen 3.297 N/A TYR 259.A N GLU 255.A O no hydrogen 3.229 N/A ILE 260.A N LEU 256.A O no hydrogen 3.055 N/A ASP 261.A N ASN 258.A O no hydrogen 3.066 N/A LEU 262.A N LEU 257.A O no hydrogen 2.702 N/A LEU 265.A N ILE 290.A O no hydrogen 2.652 N/A LEU 267.A N ILE 292.A O no hydrogen 2.966 N/A HIS 268.A N GLN 271.A OE1 no hydrogen 3.417 N/A LYS 270.A N HIS 268.A ND1 no hydrogen 3.181 N/A GLN 271.A N HIS 268.A O no hydrogen 3.250 N/A GLN 273.A NE2 GLN 273.A O no hydrogen 2.513 N/A GLN 273.A NE2 THR 277.A OG1 no hydrogen 2.718 N/A ARG 276.A N LYS 272.A O no hydrogen 3.115 N/A ARG 276.A NH1 GLN 271.A O no hydrogen 2.371 N/A ARG 276.A NH2 GLN 273.A OE1 no hydrogen 3.516 N/A THR 277.A N GLN 273.A O no hydrogen 2.860 N/A THR 277.A OG1 GLN 273.A O no hydrogen 2.831 N/A ASN 278.A N GLN 274.A O no hydrogen 2.717 N/A THR 279.A N LYS 275.A O no hydrogen 2.975 N/A THR 279.A OG1 LYS 275.A O no hydrogen 2.572 N/A PHE 280.A N ARG 276.A O no hydrogen 3.319 N/A PHE 281.A N THR 277.A O no hydrogen 3.171 N/A GLU 282.A N ASN 278.A O no hydrogen 2.985 N/A PHE 283.A N THR 279.A O no hydrogen 3.008 N/A CYS 284.A N PHE 280.A O no hydrogen 3.132 N/A CYS 284.A SG PHE 280.A O no hydrogen 3.222 N/A ALA 286.A N PHE 283.A O no hydrogen 3.407 N/A LEU 291.A N ILE 240.A O no hydrogen 3.056 N/A ILE 292.A N LEU 265.A O no hydrogen 2.883 N/A CYS 293.A N VAL 242.A O no hydrogen 2.950 N/A CYS 293.A SG THR 294.A O no hydrogen 3.684 N/A ASP 295.A N LEU 244.A O no hydrogen 3.306 N/A ALA 297.A N THR 294.A OG1 no hydrogen 3.129 N/A ALA 298.A N ASP 295.A O no hydrogen 3.157 N/A TRP 308.A N LYS 239.A O no hydrogen 3.237 N/A ILE 309.A N LYS 332.A O no hydrogen 3.023 N/A ILE 310.A N ILE 241.A O no hydrogen 2.798 N/A GLN 311.A N LEU 334.A O no hydrogen 2.852 N/A GLN 311.A NE2 ASP 295.A OD1 no hydrogen 3.226 N/A GLN 311.A NE2 ASP 295.A OD2 no hydrogen 3.088 N/A GLN 311.A NE2 ASP 313.A O no hydrogen 2.460 N/A PHE 312.A N PHE 243.A O no hydrogen 3.231 N/A ASP 313.A N PHE 243.A O no hydrogen 3.459 N/A TYR 321.A N ASP 317.A O no hydrogen 2.784 N/A ILE 322.A N PRO 318.A O no hydrogen 2.686 N/A HIS 323.A N ARG 319.A O no hydrogen 3.135 N/A ARG 324.A N TYR 321.A O no hydrogen 3.296 N/A ALA 329.A N GLY 326.A O no hydrogen 2.914 N/A LYS 332.A N ASP 307.A O no hydrogen 2.988 N/A LYS 332.A NZ LYS 330.A O no hydrogen 3.425 N/A LEU 334.A N ILE 309.A O no hydrogen 2.918 N/A MET 335.A N GLY 215.A O no hydrogen 3.118 N/A PHE 336.A N GLN 311.A O no hydrogen 3.235 N/A LEU 337.A N VAL 217.A O no hydrogen 2.874 N/A GLU 341.A N THR 338.A O no hydrogen 2.993 N/A LEU 345.A N LEU 342.A O no hydrogen 3.393 N/A LEU 348.A N PHE 344.A O no hydrogen 3.349 N/A LYS 349.A N LEU 345.A O no hydrogen 2.659 N/A ALA 350.A N ARG 346.A O no hydrogen 2.787 N/A SER 351.A N TYR 347.A O no hydrogen 3.284 N/A LYS 352.A N LYS 349.A O no hydrogen 2.897 N/A VAL 353.A N LEU 348.A O no hydrogen 3.257 N/A ASN 356.A N GLN 214.A O no hydrogen 3.366 N/A TYR 358.A N TYR 216.A O no hydrogen 2.836 N/A LYS 364.A N PRO 361.A O no hydrogen 3.317 N/A ILE 365.A N GLU 362.A O no hydrogen 3.508 N/A GLN 369.A NE2 GLU 373.A OE2 no hydrogen 2.507 N/A GLN 369.A NE2 LYS 418.A O no hydrogen 2.920 N/A LEU 372.A N VAL 368.A O no hydrogen 3.168 N/A GLU 373.A N GLN 369.A O no hydrogen 3.015 N/A LYS 374.A N SER 370.A O no hydrogen 3.094 N/A LEU 375.A N GLN 371.A O no hydrogen 3.062 N/A ILE 376.A N LEU 372.A O no hydrogen 3.080 N/A LYS 377.A N GLU 373.A O no hydrogen 3.240 N/A SER 378.A N LYS 374.A O no hydrogen 3.180 N/A SER 378.A N LEU 375.A O no hydrogen 3.048 N/A SER 378.A OG LYS 374.A O no hydrogen 2.834 N/A ASN 379.A N LEU 375.A O no hydrogen 2.769 N/A TYR 381.A OH GLU 255.A OE1 no hydrogen 2.659 N/A TYR 381.A OH GLU 255.A OE2 no hydrogen 2.775 N/A LEU 382.A N ASN 379.A OD1 no hydrogen 3.037 N/A HIS 383.A N ASN 379.A O no hydrogen 2.931 N/A GLN 384.A N TYR 380.A O no hydrogen 3.033 N/A THR 385.A N TYR 381.A O no hydrogen 3.088 N/A THR 385.A OG1 TYR 381.A O no hydrogen 3.281 N/A THR 385.A OG1 LEU 382.A O no hydrogen 3.369 N/A ALA 386.A N LEU 382.A O no hydrogen 2.880 N/A LYS 387.A N HIS 383.A O no hydrogen 3.080 N/A ASP 388.A N GLN 384.A O no hydrogen 2.999 N/A GLY 389.A N THR 385.A O no hydrogen 3.231 N/A TYR 390.A N ALA 386.A O no hydrogen 3.066 N/A ARG 391.A N LYS 387.A O no hydrogen 2.996 N/A ARG 391.A NH1 ASP 388.A OD1 no hydrogen 2.954 N/A SER 392.A N ASP 388.A O no hydrogen 2.975 N/A SER 392.A OG SER 246.A OG no hydrogen 2.471 N/A SER 392.A OG ASP 388.A O no hydrogen 3.504 N/A SER 392.A OG GLY 389.A O no hydrogen 3.248 N/A TYR 393.A N GLY 389.A O no hydrogen 2.993 N/A LEU 394.A N TYR 390.A O no hydrogen 3.367 N/A GLN 395.A N ARG 391.A O no hydrogen 3.175 N/A ALA 396.A N SER 392.A O no hydrogen 3.184 N/A TYR 397.A N TYR 393.A O no hydrogen 3.041 N/A TYR 397.A OH GLU 341.A OE1 no hydrogen 3.026 N/A ALA 398.A N LEU 394.A O no hydrogen 2.757 N/A SER 399.A N ALA 396.A O no hydrogen 3.375 N/A SER 399.A OG GLN 395.A O no hydrogen 3.264 N/A LYS 403.A N SER 401.A O no hydrogen 2.722 N/A LYS 403.A NZ HIS 400.A O no hydrogen 2.427 N/A VAL 405.A N LEU 402.A O no hydrogen 3.127 N/A TYR 406.A N LEU 402.A O no hydrogen 2.961 N/A GLN 407.A N VAL 405.A O no hydrogen 3.215 N/A LYS 410.A NZ ASP 409.A OD2 no hydrogen 3.084 N/A LEU 411.A N ILE 408.A O no hydrogen 3.415 N/A ALA 414.A N ASP 412.A OD1 no hydrogen 3.237 N/A VAL 416.A N ASP 412.A O no hydrogen 3.275 N/A ALA 417.A N LEU 413.A O no hydrogen 3.229 N/A LYS 418.A N ALA 414.A O no hydrogen 3.231 N/A LYS 418.A NZ GLU 373.A OE2 no hydrogen 2.807 N/A SER 419.A N LYS 415.A O no hydrogen 3.272 N/A SER 419.A OG VAL 416.A O no hydrogen 2.675 N/A TYR 420.A N ALA 417.A O no hydrogen 3.014 N/A GLY 421.A N LYS 418.A O no hydrogen 3.184 N/A PHE 422.A N ALA 417.A O no hydrogen 2.891 N/A