Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g8m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 17.A N ALA 13.A O no hydrogen 3.046 N/A ALA 18.A N GLU 14.A O no hydrogen 3.224 N/A MET 19.A N LEU 15.A O no hydrogen 2.898 N/A GLU 20.A N TRP 16.A O no hydrogen 2.924 N/A GLN 21.A N GLN 17.A O no hydrogen 3.149 N/A GLU 22.A N ALA 18.A O no hydrogen 3.373 N/A LYS 23.A N MET 19.A O no hydrogen 3.334 N/A VAL 24.A N GLU 20.A O no hydrogen 2.970 N/A ARG 25.A N GLN 21.A O no hydrogen 3.128 N/A GLN 26.A N GLU 22.A O no hydrogen 2.994 N/A GLN 26.A NE2 GLU 22.A OE2 no hydrogen 3.461 N/A GLU 27.A N LYS 23.A O no hydrogen 3.290 N/A GLU 27.A N VAL 24.A O no hydrogen 3.194 N/A GLU 28.A N ARG 25.A O no hydrogen 3.030 N/A ILE 30.A N ASN 341.A O no hydrogen 2.941 N/A LEU 32.A N THR 343.A O no hydrogen 2.923 N/A SER 35.A OG HIS 203.A ND1 no hydrogen 3.056 N/A SER 35.A OG HIS 203.A O no hydrogen 3.245 N/A SER 35.A OG HIS 317.A NE2 no hydrogen 2.970 N/A GLU 36.A N ILE 33.A O no hydrogen 3.408 N/A ASN 37.A ND2 LYS 229.A O no hydrogen 3.656 N/A ASN 37.A ND2 TYR 287.A OH no hydrogen 2.802 N/A SER 40.A OG GLU 278.A OE2 no hydrogen 2.761 N/A ARG 42.A N SER 40.A OG no hydrogen 3.144 N/A ARG 42.A NH1 GLU 278.A OE2 no hydrogen 2.799 N/A MET 44.A N SER 40.A O no hydrogen 3.131 N/A GLN 45.A N PRO 41.A O no hydrogen 3.145 N/A ALA 46.A N ARG 42.A O no hydrogen 3.136 N/A GLN 47.A N VAL 43.A O no hydrogen 2.790 N/A GLY 48.A N MET 44.A O no hydrogen 3.099 N/A SER 49.A OG ALA 46.A O no hydrogen 2.702 N/A ASN 53.A N GLN 50.A O no hydrogen 3.354 N/A LYS 54.A N LEU 51.A O no hydrogen 3.421 N/A LYS 54.A NZ GLY 67.A O no hydrogen 2.881 N/A TYR 59.A OH ASN 253.A O no hydrogen 2.692 N/A GLY 61.A N ASP 72.A OD2 no hydrogen 2.812 N/A LYS 62.A N TYR 59.A O no hydrogen 3.089 N/A ARG 63.A NE ASP 72.A OD1 no hydrogen 2.740 N/A ARG 63.A NH1 GLU 75.A OE1 no hydrogen 3.532 N/A ARG 63.A NH2 ASP 72.A OD1 no hydrogen 3.377 N/A ARG 63.A NH2 GLU 75.A OE1 no hydrogen 2.689 N/A CYS 68.A SG TYR 65.A O no hydrogen 3.502 N/A ILE 73.A N TYR 70.A O no hydrogen 3.240 N/A VAL 74.A N TYR 70.A O no hydrogen 3.459 N/A GLU 75.A N VAL 71.A O no hydrogen 3.116 N/A GLN 76.A N ASP 72.A O no hydrogen 3.024 N/A GLN 76.A NE2 ASP 80.A OD1 no hydrogen 2.823 N/A LEU 77.A N ILE 73.A O no hydrogen 3.086 N/A ILE 79.A N GLU 75.A O no hydrogen 2.989 N/A ASP 80.A N GLN 76.A O no hydrogen 2.767 N/A ARG 81.A N LEU 77.A O no hydrogen 3.112 N/A ARG 81.A NH1 ALA 273.A O no hydrogen 2.727 N/A ALA 82.A N ALA 78.A O no hydrogen 3.345 N/A LYS 83.A N ILE 79.A O no hydrogen 3.055 N/A LYS 83.A NZ ASP 80.A OD1 no hydrogen 3.290 N/A GLU 84.A N ASP 80.A O no hydrogen 3.273 N/A LEU 85.A N ARG 81.A O no hydrogen 3.157 N/A PHE 86.A N ALA 82.A O no hydrogen 3.464 N/A ALA 88.A N LYS 83.A O no hydrogen 2.928 N/A ASP 89.A N ALA 241.A O no hydrogen 3.289 N/A TYR 90.A OH ASN 253.A OD1 no hydrogen 2.718 N/A ASN 92.A N ILE 239.A O no hydrogen 2.974 N/A ASN 92.A ND2 TYR 59.A OH no hydrogen 3.002 N/A ASN 92.A ND2 ASN 253.A OD1 no hydrogen 3.398 N/A GLN 94.A N ASN 92.A OD1 no hydrogen 3.172 N/A GLN 94.A NE2 GLY 58.A O no hydrogen 2.752 N/A GLN 94.A NE2 GLU 75.A OE2 no hydrogen 2.959 N/A ALA 101.A N SER 97.A O no hydrogen 2.865 N/A ASN 102.A N GLY 98.A O no hydrogen 3.118 N/A ASN 102.A ND2 HIS 129.A NE2 no hydrogen 3.580 N/A PHE 103.A N SER 99.A O no hydrogen 3.025 N/A ALA 104.A N GLN 100.A O no hydrogen 3.248 N/A TYR 106.A N ASN 102.A O no hydrogen 3.353 N/A TYR 106.A OH THR 128.A O no hydrogen 2.732 N/A THR 107.A N PHE 103.A O no hydrogen 3.264 N/A THR 107.A OG1 PHE 103.A O no hydrogen 3.115 N/A THR 107.A OG1 ALA 104.A O no hydrogen 2.969 N/A ALA 108.A N ALA 104.A O no hydrogen 3.033 N/A LEU 109.A N VAL 105.A O no hydrogen 3.175 N/A LEU 110.A N TYR 106.A O no hydrogen 3.168 N/A GLU 111.A N ASP 114.A OD2 no hydrogen 2.845 N/A ASP 114.A N GLU 111.A O no hydrogen 3.132 N/A VAL 116.A N ASN 141.A O no hydrogen 2.745 N/A LEU 117.A N MET 169.A O no hydrogen 3.115 N/A ASN 120.A N TYR 145.A O no hydrogen 3.190 N/A HIS 123.A N ASN 120.A O no hydrogen 3.326 N/A THR 128.A N HIS 126.A ND1 no hydrogen 3.134 N/A THR 128.A OG1 HIS 126.A ND1 no hydrogen 2.814 N/A HIS 129.A N HIS 126.A O no hydrogen 3.173 N/A GLY 130.A N LEU 127.A O no hydrogen 3.448 N/A ASN 134.A N SER 131.A O no hydrogen 3.117 N/A SER 136.A N ASN 134.A OD1 no hydrogen 3.496 N/A SER 136.A OG LEU 127.A O no hydrogen 3.172 N/A SER 136.A OG ASN 134.A OD1 no hydrogen 3.246 N/A LYS 138.A N ASN 134.A O no hydrogen 3.295 N/A LEU 139.A N PHE 135.A O no hydrogen 3.135 N/A ASN 141.A N ASP 114.A O no hydrogen 3.046 N/A VAL 143.A N VAL 116.A O no hydrogen 2.982 N/A TYR 145.A N GLY 118.A O no hydrogen 3.244 N/A TYR 145.A OH ILE 171.A O no hydrogen 2.683 N/A ASP 148.A N HIS 152.A O no hydrogen 2.950 N/A ALA 149.A N ASP 148.A OD1 no hydrogen 2.729 N/A THR 150.A OG1 HIS 152.A ND1 no hydrogen 3.029 N/A HIS 152.A ND1 THR 150.A OG1 no hydrogen 3.029 N/A ASP 157.A N ASP 154.A OD1 no hydrogen 3.167 N/A LEU 158.A N ASP 154.A O no hydrogen 3.300 N/A GLU 159.A N TYR 155.A O no hydrogen 3.265 N/A LYS 160.A N ALA 156.A O no hydrogen 3.212 N/A LYS 168.A N THR 115.A O no hydrogen 3.112 N/A ILE 170.A N TYR 196.A O no hydrogen 3.108 N/A ILE 171.A N LEU 117.A O no hydrogen 3.112 N/A GLY 172.A N PHE 198.A O no hydrogen 2.932 N/A PHE 174.A N ASP 200.A O no hydrogen 3.301 N/A SER 175.A OG GLY 124.A O no hydrogen 2.982 N/A SER 178.A OG SER 175.A O no hydrogen 2.789 N/A ASP 182.A N TYR 155.A OH no hydrogen 3.321 N/A LYS 185.A N ASP 182.A O no hydrogen 3.139 N/A LYS 185.A N ASP 182.A OD1 no hydrogen 3.053 N/A MET 186.A N ASP 182.A O no hydrogen 3.241 N/A ARG 187.A N TRP 183.A O no hydrogen 3.374 N/A ARG 187.A NE ASP 191.A OD1 no hydrogen 3.505 N/A ILE 189.A N LYS 185.A O no hydrogen 3.358 N/A ALA 190.A N MET 186.A O no hydrogen 3.117 N/A ASP 191.A N ARG 187.A O no hydrogen 2.999 N/A SER 192.A OG ILE 189.A O no hydrogen 2.651 N/A GLY 194.A N ALA 190.A O no hydrogen 3.114 N/A ALA 195.A N ALA 190.A O no hydrogen 2.914 N/A TYR 196.A N LYS 168.A O no hydrogen 2.917 N/A LEU 197.A N HIS 221.A ND1 no hydrogen 3.140 N/A PHE 198.A N ILE 170.A O no hydrogen 3.275 N/A VAL 199.A N VAL 222.A O no hydrogen 3.152 N/A MET 201.A N THR 224.A O no hydrogen 3.012 N/A VAL 204.A N MET 201.A O no hydrogen 3.088 N/A ALA 209.A N ALA 205.A O no hydrogen 2.954 N/A ALA 210.A N GLY 206.A O no hydrogen 3.261 N/A GLY 211.A N LEU 207.A O no hydrogen 3.180 N/A VAL 212.A N LEU 207.A O no hydrogen 2.795 N/A TYR 213.A N LEU 207.A O no hydrogen 3.156 N/A ASN 215.A ND2 PHE 86.A O no hydrogen 2.951 N/A VAL 217.A N ASN 215.A OD1 no hydrogen 3.501 N/A VAL 222.A N LEU 197.A O no hydrogen 3.225 N/A VAL 223.A N LEU 240.A O no hydrogen 2.854 N/A THR 224.A N VAL 199.A O no hydrogen 3.114 N/A THR 224.A OG1 ASN 102.A OD1 no hydrogen 3.124 N/A THR 224.A OG1 ASP 200.A OD1 no hydrogen 2.884 N/A THR 225.A N LEU 238.A O no hydrogen 3.053 N/A THR 225.A OG1 THR 226.A O no hydrogen 3.161 N/A THR 226.A OG1 ALA 202.A O no hydrogen 3.446 N/A THR 227.A N GLY 236.A O no hydrogen 3.363 N/A THR 227.A OG1 PRO 234.A O no hydrogen 2.858 N/A THR 230.A OG1 HIS 203.A O no hydrogen 2.411 N/A ALA 232.A N LYS 229.A O no hydrogen 3.412 N/A GLY 237.A N PRO 95.A O no hydrogen 3.317 N/A ILE 239.A N ASN 92.A O no hydrogen 3.183 N/A LEU 240.A N VAL 223.A O no hydrogen 2.741 N/A ALA 241.A N TYR 90.A O no hydrogen 3.424 N/A LYS 242.A NZ GLY 87.A O no hydrogen 3.056 N/A GLY 243.A N ASP 89.A OD2 no hydrogen 3.375 N/A GLY 244.A N TYR 249.A OH no hydrogen 2.849 N/A LEU 248.A N SER 245.A O no hydrogen 2.981 N/A TYR 249.A N SER 245.A O no hydrogen 3.147 N/A TYR 249.A OH GLY 244.A O no hydrogen 3.237 N/A LYS 250.A N GLU 246.A O no hydrogen 3.180 N/A ASN 253.A N TYR 249.A O no hydrogen 3.058 N/A SER 254.A N LYS 250.A O no hydrogen 3.100 N/A SER 254.A OG LYS 250.A O no hydrogen 3.008 N/A ALA 255.A N LEU 252.A O no hydrogen 3.204 N/A VAL 256.A N LEU 252.A O no hydrogen 3.253 N/A PHE 257.A N ASN 253.A O no hydrogen 3.349 N/A GLY 259.A N VAL 256.A O no hydrogen 3.290 N/A GLY 260.A N VAL 256.A O no hydrogen 3.253 N/A GLN 261.A N VAL 256.A O no hydrogen 3.274 N/A GLN 261.A NE2 GLN 94.A O no hydrogen 2.738 N/A VAL 268.A N LEU 265.A O no hydrogen 3.265 N/A ILE 269.A N LEU 265.A O no hydrogen 3.166 N/A ALA 270.A N MET 266.A O no hydrogen 2.965 N/A LYS 272.A N VAL 268.A O no hydrogen 2.798 N/A LYS 272.A NZ VAL 93.A O no hydrogen 2.834 N/A LYS 272.A NZ PRO 95.A O no hydrogen 3.325 N/A LYS 272.A NZ GLY 237.A O no hydrogen 3.224 N/A ALA 273.A N ILE 269.A O no hydrogen 2.984 N/A ALA 275.A N GLY 271.A O no hydrogen 3.302 N/A LEU 276.A N LYS 272.A O no hydrogen 3.255 N/A GLU 278.A N VAL 274.A O no hydrogen 3.213 N/A ALA 279.A N ALA 275.A O no hydrogen 3.277 N/A GLU 281.A N GLU 278.A O no hydrogen 3.431 N/A PHE 284.A N GLU 281.A O no hydrogen 3.195 N/A LYS 285.A NZ ALA 210.A O no hydrogen 2.819 N/A THR 286.A OG1 GLU 283.A O no hydrogen 2.929 N/A TYR 287.A N GLU 283.A O no hydrogen 3.260 N/A TYR 287.A OH PRO 367.A O no hydrogen 2.968 N/A GLN 288.A N PHE 284.A O no hydrogen 3.032 N/A GLN 289.A N LYS 285.A O no hydrogen 2.961 N/A GLN 290.A N THR 286.A O no hydrogen 3.315 N/A GLN 290.A NE2 ASN 294.A OD1 no hydrogen 3.125 N/A VAL 291.A N TYR 287.A O no hydrogen 3.041 N/A LYS 293.A N GLN 289.A O no hydrogen 3.120 N/A ASN 294.A N GLN 290.A O no hydrogen 3.086 N/A ASN 294.A ND2 THR 370.A OG1 no hydrogen 3.408 N/A ASN 294.A ND2 PHE 374.A O no hydrogen 2.939 N/A ALA 295.A N VAL 291.A O no hydrogen 3.220 N/A LYS 296.A N ALA 292.A O no hydrogen 3.255 N/A LYS 296.A NZ THR 314.A O no hydrogen 3.445 N/A ALA 297.A N LYS 293.A O no hydrogen 3.310 N/A MET 298.A N ASN 294.A O no hydrogen 3.155 N/A VAL 299.A N ALA 295.A O no hydrogen 3.459 N/A GLU 300.A N LYS 296.A O no hydrogen 3.408 N/A VAL 301.A N MET 298.A O no hydrogen 3.135 N/A PHE 302.A N MET 298.A O no hydrogen 3.224 N/A LEU 303.A N VAL 299.A O no hydrogen 3.088 N/A GLU 304.A N GLU 300.A O no hydrogen 3.340 N/A ARG 305.A N VAL 301.A O no hydrogen 3.177 N/A ARG 305.A NH1 GLY 384.A O no hydrogen 3.501 N/A ARG 305.A NH1 ASP 388.A OD1 no hydrogen 3.560 N/A ARG 305.A NH2 ASP 388.A OD1 no hydrogen 2.749 N/A ARG 305.A NH2 ASP 391.A OD2 no hydrogen 2.904 N/A GLY 306.A N LEU 303.A O no hydrogen 3.329 N/A TYR 307.A N PHE 302.A O no hydrogen 2.965 N/A TYR 307.A OH ASP 391.A OD1 no hydrogen 2.627 N/A VAL 310.A N LEU 320.A O no hydrogen 3.059 N/A GLY 312.A N VAL 309.A O no hydrogen 3.282 N/A THR 314.A OG1 LEU 318.A O no hydrogen 3.046 N/A HIS 317.A N ASN 316.A OD1 no hydrogen 2.762 N/A HIS 317.A NE2 SER 35.A OG no hydrogen 2.970 N/A LEU 318.A N ASN 316.A OD1 no hydrogen 3.178 N/A PHE 319.A N VAL 364.A O no hydrogen 3.371 N/A VAL 321.A N ILE 362.A O no hydrogen 2.979 N/A ASP 322.A N LYS 308.A O no hydrogen 2.745 N/A VAL 324.A N ASP 322.A OD1 no hydrogen 3.027 N/A ASN 327.A N VAL 324.A O no hydrogen 3.165 N/A LEU 328.A N LEU 323.A O no hydrogen 3.203 N/A LYS 331.A N VAL 358.A O no hydrogen 3.255 N/A ALA 333.A N THR 329.A O no hydrogen 3.083 N/A ASP 334.A N GLY 330.A O no hydrogen 3.094 N/A ALA 335.A N LYS 331.A O no hydrogen 3.310 N/A ALA 336.A N GLU 332.A O no hydrogen 3.203 N/A LEU 337.A N ALA 333.A O no hydrogen 3.148 N/A GLY 338.A N ASP 334.A O no hydrogen 2.839 N/A ARG 339.A N ALA 335.A O no hydrogen 3.241 N/A ARG 339.A NE ALA 335.A O no hydrogen 3.321 N/A ALA 340.A N LEU 337.A O no hydrogen 3.253 N/A ASN 341.A N GLY 338.A O no hydrogen 3.252 N/A ASN 341.A ND2 GLU 28.A O no hydrogen 3.149 N/A ILE 342.A N LEU 337.A O no hydrogen 2.818 N/A THR 343.A N ILE 30.A O no hydrogen 2.774 N/A THR 343.A OG1 ILE 30.A O no hydrogen 3.529 N/A THR 343.A OG1 GLU 31.A OE2 no hydrogen 3.312 N/A LYS 346.A NZ PHE 357.A O no hydrogen 3.333 N/A ASN 347.A N GLY 361.A O no hydrogen 2.778 N/A ASN 347.A ND2 SER 348.A O no hydrogen 3.288 N/A VAL 349.A N ASP 352.A OD2 no hydrogen 3.167 N/A LYS 354.A N ASP 352.A OD1 no hydrogen 2.890 N/A PHE 357.A N SER 355.A OG no hydrogen 3.405 N/A VAL 358.A N SER 355.A O no hydrogen 2.876 N/A THR 359.A N SER 355.A O no hydrogen 2.777 N/A THR 359.A OG1 VAL 358.A O no hydrogen 2.516 N/A SER 360.A N VAL 358.A O no hydrogen 2.918 N/A ILE 362.A N VAL 321.A O no hydrogen 3.376 N/A ARG 363.A N ASN 345.A O no hydrogen 2.929 N/A ARG 363.A NE ASN 345.A OD1 no hydrogen 3.351 N/A VAL 364.A N PHE 319.A O no hydrogen 3.257 N/A GLY 365.A N LEU 32.A O no hydrogen 2.664 N/A THR 366.A OG1 VAL 291.A O no hydrogen 3.180 N/A THR 366.A OG1 HIS 317.A O no hydrogen 3.357 N/A THR 370.A OG1 THR 366.A O no hydrogen 2.646 N/A ARG 371.A N PRO 367.A O no hydrogen 3.363 N/A ARG 372.A N ILE 369.A O no hydrogen 3.241 N/A ARG 372.A NE TYR 413.A O no hydrogen 2.748 N/A ARG 372.A NH1 HIS 29.A O no hydrogen 3.198 N/A ARG 372.A NH2 GLU 27.A O no hydrogen 2.750 N/A GLY 373.A N ILE 369.A O no hydrogen 3.271 N/A PHE 374.A N ILE 369.A O no hydrogen 3.137 N/A LYS 375.A N GLU 378.A OE1 no hydrogen 3.043 N/A ALA 379.A N LYS 375.A O no hydrogen 2.760 N/A LYS 380.A N GLU 376.A O no hydrogen 3.082 N/A LEU 382.A N GLU 378.A O no hydrogen 3.201 N/A ALA 383.A N ALA 379.A O no hydrogen 3.164 N/A GLY 384.A N LYS 380.A O no hydrogen 3.069 N/A TRP 385.A N GLU 381.A O no hydrogen 3.191 N/A MET 386.A N LEU 382.A O no hydrogen 3.160 N/A CYS 387.A N ALA 383.A O no hydrogen 3.383 N/A CYS 387.A SG ALA 383.A O no hydrogen 3.546 N/A ASP 388.A N GLY 384.A O no hydrogen 3.330 N/A VAL 389.A N TRP 385.A O no hydrogen 3.349 N/A LEU 390.A N MET 386.A O no hydrogen 3.179 N/A ASP 391.A N CYS 387.A O no hydrogen 2.966 N/A SER 392.A N ASP 388.A O no hydrogen 3.427 N/A ALA 397.A N ASP 395.A OD1 no hydrogen 3.096 N/A VAL 398.A N ASP 395.A OD1 no hydrogen 3.358 N/A GLU 400.A N GLU 396.A O no hydrogen 3.319 N/A ARG 401.A N ALA 397.A O no hydrogen 3.114 N/A ILE 402.A N VAL 398.A O no hydrogen 3.151 N/A LYS 403.A N ILE 399.A O no hydrogen 3.205 N/A GLY 404.A N GLU 400.A O no hydrogen 3.377 N/A LYS 405.A NZ ARG 401.A O no hydrogen 3.398 N/A VAL 406.A N ILE 402.A O no hydrogen 2.878 N/A LEU 407.A N LYS 403.A O no hydrogen 2.810 N/A ASP 408.A N GLY 404.A O no hydrogen 3.227 N/A ILE 409.A N LYS 405.A O no hydrogen 3.118 N/A CYS 410.A N VAL 406.A O no hydrogen 3.037 N/A CYS 410.A SG VAL 406.A O no hydrogen 3.221 N/A ALA 411.A N LEU 407.A O no hydrogen 3.248 N/A ARG 412.A N ASP 408.A O no hydrogen 2.919 N/A TYR 413.A N ILE 409.A O no hydrogen 2.855 N/A VAL 415.A N GLU 27.A OE2 no hydrogen 3.194 N/A TYR 416.A N GLU 27.A OE2 no hydrogen 3.498 N/A TYR 416.A OH THR 39.A O no hydrogen 2.771 N/A