Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pw4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 8.A N GLN 209.A O no hydrogen 3.429 N/A THR 18.A OG1 ILE 15.A O no hydrogen 2.992 N/A TYR 19.A N ASP 16.A O no hydrogen 2.696 N/A TYR 19.A OH LEU 213.A O no hydrogen 3.182 N/A ARG 20.A N ASP 16.A O no hydrogen 3.039 N/A LEU 22.A N THR 18.A O no hydrogen 3.070 N/A ARG 23.A N TYR 19.A O no hydrogen 2.808 N/A ARG 23.A N ARG 20.A O no hydrogen 3.350 N/A TRP 24.A N ARG 20.A O no hydrogen 2.987 N/A GLN 25.A N ARG 21.A O no hydrogen 2.727 N/A ILE 26.A N LEU 22.A O no hydrogen 3.449 N/A PHE 27.A N ARG 23.A O no hydrogen 3.201 N/A ILE 30.A N ILE 26.A O no hydrogen 3.254 N/A PHE 31.A N PHE 27.A O no hydrogen 3.055 N/A PHE 32.A N LEU 28.A O no hydrogen 2.867 N/A GLY 33.A N GLY 29.A O no hydrogen 2.576 N/A TYR 34.A N ILE 30.A O no hydrogen 2.655 N/A ALA 35.A N PHE 31.A O no hydrogen 2.828 N/A ALA 36.A N PHE 32.A O no hydrogen 2.933 N/A TYR 37.A N TYR 34.A O no hydrogen 3.037 N/A TYR 37.A OH LEU 92.A O no hydrogen 2.898 N/A TYR 38.A N ALA 35.A O no hydrogen 3.036 N/A TYR 38.A OH TYR 34.A OH no hydrogen 3.182 N/A LEU 39.A N ALA 36.A O no hydrogen 3.202 N/A ALA 47.A N ASN 43.A O no hydrogen 3.053 N/A MET 48.A N PHE 44.A O no hydrogen 3.035 N/A LEU 51.A N ALA 47.A O no hydrogen 2.409 N/A ARG 58.A NH2 TYR 389.A OH no hydrogen 3.480 N/A PHE 63.A N ASP 60.A O no hydrogen 2.457 N/A ALA 64.A N ASP 60.A O no hydrogen 3.226 N/A LEU 65.A N LEU 61.A O no hydrogen 2.711 N/A SER 66.A N GLY 62.A O no hydrogen 2.645 N/A GLY 67.A N ALA 64.A O no hydrogen 2.878 N/A ILE 68.A N LEU 65.A O no hydrogen 3.092 N/A ILE 70.A N SER 66.A O no hydrogen 3.468 N/A ALA 71.A N GLY 67.A O no hydrogen 3.231 N/A TYR 72.A N ILE 68.A O no hydrogen 3.117 N/A GLY 73.A N SER 69.A O no hydrogen 2.757 N/A PHE 74.A N ILE 70.A O no hydrogen 2.756 N/A SER 75.A N ALA 71.A O no hydrogen 2.635 N/A LYS 76.A N TYR 72.A O no hydrogen 3.494 N/A ILE 78.A N SER 75.A O no hydrogen 3.024 N/A MET 79.A N SER 75.A O no hydrogen 3.341 N/A SER 81.A N ILE 78.A O no hydrogen 3.172 N/A SER 81.A OG ILE 78.A O no hydrogen 3.381 N/A SER 83.A N MET 79.A O no hydrogen 3.415 N/A ARG 85.A N SER 81.A O no hydrogen 3.098 N/A SER 86.A N VAL 82.A O no hydrogen 2.757 N/A SER 86.A OG VAL 82.A O no hydrogen 3.411 N/A ARG 89.A NE PHE 201.A O no hydrogen 2.790 N/A ARG 89.A NH2 PHE 201.A O no hydrogen 3.434 N/A ARG 89.A NH2 ALA 202.A O no hydrogen 3.558 N/A VAL 90.A N ASN 87.A O no hydrogen 2.908 N/A PHE 91.A N ASN 87.A O no hydrogen 2.927 N/A LEU 92.A N PRO 88.A O no hydrogen 3.385 N/A ALA 94.A N VAL 90.A O no hydrogen 2.697 N/A GLY 95.A N LEU 92.A O no hydrogen 2.962 N/A LEU 96.A N LEU 92.A O no hydrogen 3.111 N/A ILE 97.A N PRO 93.A O no hydrogen 3.026 N/A ALA 99.A N GLY 95.A O no hydrogen 3.000 N/A ALA 100.A N LEU 96.A O no hydrogen 2.652 N/A ALA 101.A N ILE 97.A O no hydrogen 2.954 N/A MET 103.A N ALA 99.A O no hydrogen 3.203 N/A PHE 105.A N ALA 101.A O no hydrogen 3.078 N/A MET 106.A N MET 103.A O no hydrogen 2.710 N/A GLY 107.A N MET 103.A O no hydrogen 3.146 N/A VAL 109.A N PHE 105.A O no hydrogen 3.357 N/A THR 113.A N VAL 109.A O no hydrogen 2.895 N/A SER 114.A N PRO 110.A O no hydrogen 2.890 N/A LEU 122.A N VAL 118.A O no hydrogen 2.945 N/A LEU 123.A N MET 119.A O no hydrogen 2.645 N/A PHE 124.A N PHE 120.A O no hydrogen 2.671 N/A LEU 125.A N LEU 122.A O no hydrogen 2.970 N/A CYS 126.A N LEU 122.A O no hydrogen 3.429 N/A CYS 126.A SG GLN 130.A OE1 no hydrogen 3.439 N/A GLY 127.A N LEU 123.A O no hydrogen 3.138 N/A TRP 128.A N PHE 124.A O no hydrogen 3.178 N/A PHE 129.A N LEU 125.A O no hydrogen 2.769 N/A GLN 130.A N CYS 126.A O no hydrogen 2.758 N/A GLN 130.A NE2 TYR 37.A O no hydrogen 3.022 N/A GLY 131.A N GLY 127.A O no hydrogen 3.028 N/A GLY 131.A N TRP 128.A O no hydrogen 3.097 N/A GLY 138.A N PRO 135.A O no hydrogen 2.818 N/A ARG 139.A N PRO 135.A O no hydrogen 2.851 N/A ARG 139.A NE ASP 84.A O no hydrogen 2.533 N/A THR 140.A N PRO 136.A O no hydrogen 2.816 N/A THR 140.A OG1 PRO 136.A O no hydrogen 3.217 N/A MET 141.A N CYS 137.A O no hydrogen 3.527 N/A VAL 142.A N GLY 138.A O no hydrogen 3.285 N/A VAL 142.A N ARG 139.A O no hydrogen 3.226 N/A HIS 143.A N THR 140.A O no hydrogen 2.406 N/A TRP 144.A N MET 141.A O no hydrogen 3.404 N/A LYS 148.A N TRP 145.A O no hydrogen 3.194 N/A LYS 148.A NZ GLN 147.A OE1 no hydrogen 2.879 N/A GLY 151.A N LYS 148.A O no hydrogen 2.704 N/A ILE 153.A N GLU 149.A O no hydrogen 3.042 N/A VAL 154.A N ARG 150.A O no hydrogen 3.037 N/A VAL 156.A N GLY 152.A O no hydrogen 3.393 N/A TRP 157.A N ILE 153.A O no hydrogen 3.241 N/A CYS 159.A N SER 155.A O no hydrogen 3.362 N/A CYS 159.A SG SER 155.A O no hydrogen 3.182 N/A ALA 160.A N VAL 156.A O no hydrogen 3.330 N/A HIS 161.A ND1 HIS 161.A O no hydrogen 2.204 N/A ASN 162.A N CYS 159.A O no hydrogen 3.121 N/A VAL 163.A N CYS 159.A O no hydrogen 2.934 N/A GLY 165.A N HIS 161.A O no hydrogen 3.260 N/A GLY 166.A N ASN 162.A O no hydrogen 3.221 N/A ILE 167.A N GLY 164.A O no hydrogen 3.438 N/A LEU 171.A N ILE 167.A O no hydrogen 3.278 N/A PHE 172.A N PRO 168.A O no hydrogen 2.973 N/A LEU 173.A N PRO 169.A O no hydrogen 2.803 N/A LEU 174.A N LEU 170.A O no hydrogen 3.059 N/A GLY 175.A N LEU 171.A O no hydrogen 2.494 N/A ALA 177.A N LEU 174.A O no hydrogen 3.307 N/A PHE 179.A N GLY 175.A O no hydrogen 2.988 N/A ALA 184.A N ASP 181.A OD2 no hydrogen 2.680 N/A MET 188.A N ALA 185.A O no hydrogen 3.427 N/A PHE 191.A N TYR 187.A O no hydrogen 2.861 N/A CYS 192.A N MET 188.A O no hydrogen 3.442 N/A CYS 192.A SG PRO 189.A O no hydrogen 3.935 N/A ALA 193.A N PRO 189.A O no hydrogen 3.175 N/A ILE 194.A N ALA 190.A O no hydrogen 3.456 N/A VAL 196.A N CYS 192.A O no hydrogen 3.161 N/A ALA 197.A N ALA 193.A O no hydrogen 2.996 N/A LEU 198.A N ILE 194.A O no hydrogen 3.183 N/A LEU 198.A N LEU 195.A O no hydrogen 3.202 N/A PHE 199.A N LEU 195.A O no hydrogen 3.363 N/A ALA 200.A N VAL 196.A O no hydrogen 2.689 N/A PHE 201.A N ALA 197.A O no hydrogen 2.925 N/A ALA 202.A N LEU 198.A O no hydrogen 2.695 N/A MET 203.A N ALA 200.A O no hydrogen 3.189 N/A MET 204.A N ALA 200.A O no hydrogen 3.220 N/A ARG 205.A NE MET 204.A O no hydrogen 3.300 N/A GLU 218.A N ILE 216.A O no hydrogen 2.265 N/A TYR 219.A N ILE 216.A O no hydrogen 2.898 N/A ILE 227.A N ALA 224.A O no hydrogen 3.077 N/A PHE 228.A N LYS 225.A O no hydrogen 2.602 N/A GLN 230.A N GLN 226.A O no hydrogen 2.702 N/A TYR 231.A N ILE 227.A O no hydrogen 2.786 N/A VAL 232.A N PHE 228.A O no hydrogen 3.120 N/A LEU 233.A N PHE 228.A O no hydrogen 2.679 N/A TRP 239.A N ASN 235.A O no hydrogen 3.254 N/A TRP 239.A NE1 LEU 233.A O no hydrogen 2.826 N/A TYR 240.A N LYS 236.A O no hydrogen 3.448 N/A ALA 242.A N LEU 238.A O no hydrogen 3.070 N/A ILE 243.A N TRP 239.A O no hydrogen 2.733 N/A ASN 245.A N ILE 241.A O no hydrogen 2.559 N/A VAL 246.A N ALA 242.A O no hydrogen 3.198 N/A VAL 248.A N ALA 244.A O no hydrogen 3.393 N/A VAL 248.A N ASN 245.A O no hydrogen 2.803 N/A TYR 249.A N ASN 245.A O no hydrogen 2.945 N/A LEU 250.A N VAL 246.A O no hydrogen 2.868 N/A LEU 251.A N PHE 247.A O no hydrogen 2.995 N/A ARG 252.A N VAL 248.A O no hydrogen 3.105 N/A TYR 253.A N TYR 249.A O no hydrogen 2.994 N/A GLY 254.A N LEU 250.A O no hydrogen 2.880 N/A ILE 255.A N LEU 251.A O no hydrogen 3.291 N/A LEU 256.A N ARG 252.A O no hydrogen 3.019 N/A ASP 257.A N TYR 253.A O no hydrogen 2.668 N/A SER 259.A N ILE 255.A O no hydrogen 3.112 N/A SER 259.A OG ILE 255.A O no hydrogen 2.625 N/A SER 259.A OG LEU 256.A O no hydrogen 3.188 N/A TYR 262.A N TRP 258.A O no hydrogen 2.711 N/A LEU 263.A N SER 259.A O no hydrogen 3.446 N/A GLU 265.A N TYR 262.A O no hydrogen 3.142 N/A VAL 266.A N TYR 262.A O no hydrogen 3.438 N/A LYS 267.A NZ TYR 322.A O no hydrogen 2.933 N/A LYS 267.A NZ ASP 333.A OD1 no hydrogen 3.322 N/A HIS 268.A N HIS 268.A ND1 no hydrogen 2.601 N/A SER 274.A N ALA 270.A O no hydrogen 3.115 N/A SER 275.A N LEU 271.A O no hydrogen 3.146 N/A SER 275.A OG LEU 271.A O no hydrogen 3.516 N/A ALA 277.A N SER 274.A O no hydrogen 3.145 N/A TYR 278.A N SER 274.A O no hydrogen 3.402 N/A PHE 279.A N SER 275.A O no hydrogen 3.386 N/A TYR 281.A N ALA 277.A O no hydrogen 2.615 N/A TYR 281.A OH ARG 252.A O no hydrogen 2.928 N/A GLU 282.A N TYR 278.A O no hydrogen 3.219 N/A TYR 283.A N PHE 279.A O no hydrogen 2.951 N/A TYR 283.A OH VAL 163.A O no hydrogen 2.756 N/A ALA 284.A N LEU 280.A O no hydrogen 2.934 N/A ILE 286.A N TYR 283.A O no hydrogen 3.237 N/A THR 289.A N GLY 285.A O no hydrogen 2.888 N/A LEU 290.A N ILE 286.A O no hydrogen 3.128 N/A LEU 291.A N PRO 287.A O no hydrogen 3.024 N/A CYS 292.A N GLY 288.A O no hydrogen 2.606 N/A GLY 293.A N THR 289.A O no hydrogen 3.045 N/A TRP 294.A N LEU 290.A O no hydrogen 3.499 N/A MET 295.A N LEU 291.A O no hydrogen 2.754 N/A SER 296.A N CYS 292.A O no hydrogen 3.204 N/A SER 296.A OG THR 307.A OG1 no hydrogen 3.207 N/A ASP 297.A N GLY 293.A O no hydrogen 2.971 N/A LYS 298.A N TRP 294.A O no hydrogen 2.802 N/A VAL 299.A N MET 295.A O no hydrogen 2.854 N/A PHE 300.A N MET 295.A O no hydrogen 3.383 N/A GLY 302.A N SER 296.A O no hydrogen 3.334 N/A ASN 303.A N PHE 300.A O no hydrogen 3.185 N/A ALA 306.A N ASN 303.A OD1 no hydrogen 3.311 N/A THR 307.A N ARG 304.A O no hydrogen 3.148 N/A THR 307.A OG1 SER 296.A OG no hydrogen 3.207 N/A THR 307.A OG1 ASN 303.A O no hydrogen 2.805 N/A GLY 308.A N ARG 304.A O no hydrogen 3.266 N/A VAL 309.A N GLY 305.A O no hydrogen 3.015 N/A PHE 310.A N ALA 306.A O no hydrogen 3.086 N/A PHE 311.A N THR 307.A O no hydrogen 2.824 N/A MET 312.A N GLY 308.A O no hydrogen 2.256 N/A THR 313.A N VAL 309.A O no hydrogen 2.828 N/A THR 313.A OG1 VAL 309.A O no hydrogen 2.566 N/A LEU 314.A N PHE 310.A O no hydrogen 3.147 N/A VAL 315.A N PHE 311.A O no hydrogen 2.830 N/A THR 316.A N MET 312.A O no hydrogen 3.202 N/A THR 316.A OG1 MET 312.A O no hydrogen 3.157 N/A ILE 317.A N THR 313.A O no hydrogen 3.058 N/A THR 319.A N VAL 315.A O no hydrogen 2.955 N/A THR 319.A OG1 VAL 315.A O no hydrogen 3.244 N/A ILE 320.A N THR 316.A O no hydrogen 3.192 N/A VAL 321.A N ILE 317.A O no hydrogen 3.295 N/A TYR 322.A N ALA 318.A O no hydrogen 2.958 N/A MET 324.A N ILE 320.A O no hydrogen 2.738 N/A ASN 325.A ND2 VAL 321.A O no hydrogen 3.274 N/A VAL 332.A N ASN 329.A O no hydrogen 3.168 N/A ASP 333.A N ASN 329.A O no hydrogen 2.936 N/A CYS 336.A N VAL 332.A O no hydrogen 2.646 N/A MET 337.A N ASP 333.A O no hydrogen 2.542 N/A ILE 338.A N MET 334.A O no hydrogen 2.999 N/A VAL 339.A N ILE 335.A O no hydrogen 2.768 N/A ILE 340.A N CYS 336.A O no hydrogen 2.819 N/A GLY 341.A N MET 337.A O no hydrogen 3.103 N/A PHE 342.A N ILE 338.A O no hydrogen 3.329 N/A LEU 343.A N VAL 339.A O no hydrogen 3.311 N/A LEU 343.A N ILE 340.A O no hydrogen 3.355 N/A ILE 344.A N ILE 340.A O no hydrogen 3.145 N/A TYR 345.A OH ASN 158.A OD1 no hydrogen 3.403 N/A GLY 346.A N LEU 343.A O no hydrogen 2.684 N/A MET 349.A N TYR 345.A O no hydrogen 3.086 N/A LEU 350.A N GLY 346.A O no hydrogen 3.101 N/A ILE 351.A N PRO 347.A O no hydrogen 2.942 N/A LEU 353.A N MET 349.A O no hydrogen 3.023 N/A HIS 354.A N LEU 350.A O no hydrogen 2.550 N/A ALA 355.A N ILE 351.A O no hydrogen 2.649 N/A LEU 356.A N LEU 353.A O no hydrogen 3.266 N/A GLU 357.A N HIS 354.A O no hydrogen 3.066 N/A ALA 364.A N PRO 360.A O no hydrogen 3.256 N/A GLY 365.A N LYS 362.A O no hydrogen 3.170 N/A THR 366.A OG1 ALA 363.A O no hydrogen 3.532 N/A ALA 367.A N ALA 363.A O no hydrogen 2.419 N/A ALA 368.A N ALA 364.A O no hydrogen 2.582 N/A GLY 369.A N GLY 365.A O no hydrogen 3.065 N/A PHE 370.A N THR 366.A O no hydrogen 3.092 N/A THR 371.A OG1 ALA 368.A O no hydrogen 2.745 N/A LEU 373.A N GLY 369.A O no hydrogen 3.197 N/A PHE 374.A N PHE 370.A O no hydrogen 2.851 N/A GLY 375.A N THR 371.A O no hydrogen 2.729 N/A TYR 376.A N GLY 372.A O no hydrogen 2.706 N/A LEU 377.A N LEU 373.A O no hydrogen 2.841 N/A GLY 379.A N GLY 375.A O no hydrogen 2.875 N/A SER 380.A N TYR 376.A O no hydrogen 3.154 N/A SER 380.A N LEU 377.A O no hydrogen 3.335 N/A SER 380.A OG TYR 376.A O no hydrogen 2.586 N/A VAL 381.A N LEU 377.A O no hydrogen 3.496 N/A ALA 382.A N GLY 378.A O no hydrogen 3.161 N/A ALA 383.A N GLY 379.A O no hydrogen 2.943 N/A SER 384.A N SER 380.A O no hydrogen 2.565 N/A SER 384.A OG GLY 62.A O no hydrogen 3.449 N/A SER 384.A OG SER 380.A O no hydrogen 2.964 N/A SER 384.A OG VAL 381.A O no hydrogen 3.344 N/A ALA 385.A N VAL 381.A O no hydrogen 2.680 N/A ILE 386.A N VAL 381.A O no hydrogen 3.397 N/A VAL 387.A N ALA 382.A O no hydrogen 3.243 N/A TYR 389.A N ALA 385.A O no hydrogen 3.183 N/A THR 390.A N ILE 386.A O no hydrogen 2.788 N/A THR 390.A N VAL 387.A O no hydrogen 2.769 N/A THR 390.A OG1 ILE 386.A O no hydrogen 2.950 N/A VAL 391.A N GLY 388.A O no hydrogen 3.085 N/A GLY 399.A N TRP 396.A O no hydrogen 2.783 N/A MET 401.A N ASP 397.A O no hydrogen 3.279 N/A VAL 402.A N GLY 399.A O no hydrogen 3.136 N/A MET 403.A N GLY 399.A O no hydrogen 3.213 N/A ILE 404.A N PHE 400.A O no hydrogen 2.470 N/A GLY 405.A N MET 401.A O no hydrogen 2.871 N/A GLY 406.A N VAL 402.A O no hydrogen 2.555 N/A SER 407.A N MET 403.A O no hydrogen 2.988 N/A ILE 408.A N ILE 404.A O no hydrogen 3.130 N/A LEU 409.A N GLY 405.A O no hydrogen 3.251 N/A ALA 410.A N GLY 406.A O no hydrogen 3.302 N/A VAL 411.A N SER 407.A O no hydrogen 3.195 N/A VAL 411.A N ILE 408.A O no hydrogen 3.275 N/A ILE 412.A N ILE 408.A O no hydrogen 3.195 N/A LEU 413.A N LEU 409.A O no hydrogen 2.610 N/A LEU 414.A N ALA 410.A O no hydrogen 2.723 N/A ILE 415.A N VAL 411.A O no hydrogen 2.762 N/A ILE 415.A N ILE 412.A O no hydrogen 3.034 N/A VAL 416.A N ILE 412.A O no hydrogen 3.039 N/A VAL 417.A N LEU 413.A O no hydrogen 3.112 N/A MET 418.A N ILE 415.A O no hydrogen 2.562 N/A ILE 419.A N ILE 415.A O no hydrogen 2.920 N/A GLY 420.A N VAL 416.A O no hydrogen 2.707 N/A GLU 421.A N VAL 417.A O no hydrogen 3.130 N/A LYS 422.A N MET 418.A O no hydrogen 3.337 N/A ARG 423.A N ILE 419.A O no hydrogen 2.809 N/A ARG 424.A N GLY 420.A O no hydrogen 3.041 N/A HIS 425.A N GLU 421.A O no hydrogen 3.388 N/A GLU 426.A N LYS 422.A O no hydrogen 3.363 N/A GLN 427.A N ARG 424.A O no hydrogen 3.260 N/A LEU 428.A N HIS 425.A O no hydrogen 3.329 N/A LEU 429.A N GLU 426.A O no hydrogen 3.331 N/A GLN 430.A N GLN 427.A O no hydrogen 2.699 N/A GLU 431.A N LEU 428.A O no hydrogen 3.039 N/A LEU 432.A N LEU 429.A O no hydrogen 3.468 N/A VAL 433.A N GLN 430.A O no hydrogen 3.180 N/A