Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3al0_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N SER 203.A O no hydrogen 3.439 N/A ILE 7.A N ILE 164.A O no hydrogen 2.810 N/A GLY 8.A N ASN 201.A O no hydrogen 3.239 N/A GLU 10.A N ASP 199.A O no hydrogen 2.859 N/A ILE 11.A N ILE 158.A O no hydrogen 2.955 N/A HIS 12.A N ARG 197.A O no hydrogen 3.374 N/A HIS 12.A NE2 GLU 125.A OE2 no hydrogen 3.131 N/A GLN 14.A N ALA 195.A O no hydrogen 3.130 N/A LEU 15.A N PRO 154.A O no hydrogen 3.031 N/A SER 16.A N VAL 186.A O no hydrogen 3.349 N/A SER 16.A OG GLY 185.A O no hydrogen 3.561 N/A THR 17.A N LEU 15.A O no hydrogen 2.810 N/A THR 17.A OG1 THR 19.A O no hydrogen 2.575 N/A LYS 18.A N GLU 55.A OE2 no hydrogen 2.902 N/A LYS 20.A N CYS 25.A O no hydrogen 2.580 N/A LYS 20.A NZ ALA 37.A O no hydrogen 3.190 N/A LYS 20.A NZ ASN 149.A O no hydrogen 2.834 N/A LYS 20.A NZ CYS 151.A O no hydrogen 2.569 N/A CYS 25.A SG ALA 37.A O no hydrogen 3.883 N/A CYS 25.A SG ILE 38.A O no hydrogen 3.367 N/A ALA 27.A N LYS 18.A O no hydrogen 3.015 N/A LEU 32.A N PHE 30.A O no hydrogen 2.568 N/A ASN 35.A N ASP 147.A OD1 no hydrogen 2.977 N/A ASN 35.A ND2 VAL 146.A O no hydrogen 3.557 N/A THR 36.A N ASN 149.A OD1 no hydrogen 2.803 N/A THR 36.A OG1 PRO 33.A O no hydrogen 3.048 N/A ALA 37.A N ASN 149.A OD1 no hydrogen 2.891 N/A CYS 42.A SG CYS 39.A O no hydrogen 3.606 N/A GLY 44.A N VAL 41.A O no hydrogen 2.996 N/A GLN 45.A N PRO 40.A O no hydrogen 3.240 N/A VAL 51.A N PHE 22.A O no hydrogen 3.113 N/A ILE 57.A N GLU 54.A O no hydrogen 2.579 N/A ARG 58.A N GLU 54.A O no hydrogen 3.243 N/A PHE 59.A N GLU 55.A O no hydrogen 3.087 N/A ALA 60.A N MET 56.A O no hydrogen 3.487 N/A VAL 61.A N ILE 57.A O no hydrogen 2.986 N/A LYS 62.A N ARG 58.A O no hydrogen 3.119 N/A THR 63.A N PHE 59.A O no hydrogen 3.158 N/A THR 63.A OG1 ALA 60.A O no hydrogen 3.010 N/A ALA 64.A N ALA 60.A O no hydrogen 2.741 N/A LEU 65.A N VAL 61.A O no hydrogen 2.804 N/A ALA 66.A N LYS 62.A O no hydrogen 3.030 N/A LEU 67.A N THR 63.A O no hydrogen 2.971 N/A ASN 68.A N LEU 65.A O no hydrogen 2.567 N/A ASN 68.A ND2 PHE 105.A O no hydrogen 3.122 N/A CYS 69.A N ALA 64.A O no hydrogen 2.787 N/A CYS 69.A SG LEU 67.A O no hydrogen 3.543 N/A LYS 70.A N GLU 103.A O no hydrogen 3.141 N/A SER 75.A OG TYR 98.A O no hydrogen 3.138 N/A ARG 76.A NH2 TYR 74.A OH no hydrogen 3.153 N/A ASP 78.A N SER 94.A O no hydrogen 3.045 N/A ARG 79.A N PHE 277.A O no hydrogen 2.819 N/A ARG 79.A NE GLU 279.A OE1 no hydrogen 3.015 N/A ARG 79.A NH2 ASP 281.A OD1 no hydrogen 2.986 N/A LYS 80.A N GLN 92.A O no hydrogen 2.658 N/A ASN 81.A N TYR 274.A O no hydrogen 3.208 N/A TYR 82.A N GLY 90.A O no hydrogen 3.148 N/A LEU 87.A N TYR 84.A O no hydrogen 2.732 N/A LYS 89.A NZ GLU 126.A OE1 no hydrogen 2.527 N/A LYS 89.A NZ GLU 126.A OE2 no hydrogen 2.895 N/A GLN 92.A N LYS 80.A O no hydrogen 2.898 N/A SER 94.A N ASP 78.A O no hydrogen 3.044 N/A GLN 95.A NE2 SER 75.A OG no hydrogen 2.941 N/A GLN 95.A NE2 ARG 76.A O no hydrogen 3.163 N/A THR 102.A OG1 ARG 120.A O no hydrogen 3.570 N/A GLU 103.A N ARG 120.A O no hydrogen 2.581 N/A GLY 104.A N ILE 119.A O no hydrogen 3.233 N/A PHE 105.A N LEU 67.A O no hydrogen 3.007 N/A LEU 106.A N VAL 117.A O no hydrogen 2.805 N/A ILE 108.A N LYS 115.A O no hydrogen 2.930 N/A LYS 115.A N ILE 108.A O no hydrogen 3.354 N/A VAL 117.A N LEU 106.A O no hydrogen 2.945 N/A ARG 118.A N ASP 163.A OD2 no hydrogen 2.614 N/A ILE 119.A N GLY 104.A O no hydrogen 2.881 N/A ARG 120.A N VAL 159.A O no hydrogen 2.700 N/A ARG 121.A NH2 GLN 95.A O no hydrogen 3.552 N/A LEU 124.A N GLN 95.A OE1 no hydrogen 2.867 N/A GLU 125.A N LEU 155.A O no hydrogen 2.760 N/A GLY 129.A N ASP 86.A O no hydrogen 2.656 N/A LYS 130.A N ASP 147.A O no hydrogen 3.041 N/A VAL 132.A N LEU 145.A O no hydrogen 3.058 N/A THR 139.A N SER 137.A O no hydrogen 2.618 N/A SER 142.A N GLU 134.A OE1 no hydrogen 2.600 N/A LEU 145.A N VAL 132.A O no hydrogen 2.647 N/A ASP 147.A N LYS 130.A O no hydrogen 2.854 N/A MET 148.A N ASN 35.A OD1 no hydrogen 2.955 N/A ASN 149.A N ASP 147.A OD1 no hydrogen 3.345 N/A ASN 149.A ND2 PRO 33.A O no hydrogen 2.697 N/A CYS 151.A N MET 148.A O no hydrogen 2.441 N/A CYS 151.A SG ASP 86.A O no hydrogen 3.817 N/A GLY 152.A N ASP 127.A O no hydrogen 2.967 N/A LEU 155.A N GLU 125.A O no hydrogen 2.789 N/A ILE 156.A N VAL 13.A O no hydrogen 2.863 N/A GLU 157.A N HIS 123.A O no hydrogen 3.266 N/A THR 160.A OG1 ARG 118.A O no hydrogen 3.230 N/A GLU 161.A N ARG 118.A O no hydrogen 2.773 N/A SER 165.A OG ASP 163.A O no hydrogen 3.520 N/A ARG 168.A NE SER 166.A OG no hydrogen 3.424 N/A ALA 170.A N SER 166.A O no hydrogen 2.950 N/A ARG 171.A NH1 GLU 175.A OE2 no hydrogen 3.207 N/A ARG 171.A NH2 ASP 111.A OD2 no hydrogen 2.673 N/A VAL 172.A N ARG 168.A O no hydrogen 2.750 N/A PHE 173.A N GLU 169.A O no hydrogen 2.758 N/A MET 174.A N ALA 170.A O no hydrogen 3.162 N/A GLU 175.A N ARG 171.A O no hydrogen 2.737 N/A LYS 176.A N VAL 172.A O no hydrogen 2.864 N/A LYS 176.A NZ GLU 107.A O no hydrogen 3.308 N/A LYS 176.A NZ ASP 109.A OD1 no hydrogen 3.061 N/A LEU 177.A N PHE 173.A O no hydrogen 3.058 N/A ARG 178.A N MET 174.A O no hydrogen 3.040 N/A ARG 178.A NE ASP 190.A OD2 no hydrogen 2.717 N/A SER 179.A N GLU 175.A O no hydrogen 3.080 N/A SER 179.A OG GLU 175.A O no hydrogen 2.964 N/A ILE 180.A N LEU 177.A O no hydrogen 3.404 N/A VAL 181.A N LEU 177.A O no hydrogen 3.178 N/A ARG 182.A N ARG 178.A O no hydrogen 2.760 N/A TYR 183.A N ILE 180.A O no hydrogen 2.986 N/A LEU 184.A N ILE 180.A O no hydrogen 3.077 N/A GLY 185.A N VAL 181.A O no hydrogen 3.446 N/A SER 187.A OG GLN 14.A O no hydrogen 3.092 N/A GLY 189.A N SER 187.A OG no hydrogen 2.655 N/A GLY 194.A N MET 191.A O no hydrogen 3.013 N/A ARG 197.A N HIS 12.A O no hydrogen 3.378 N/A ARG 197.A NH1 GLY 194.A O no hydrogen 3.532 N/A ASP 199.A N GLU 10.A O no hydrogen 2.984 N/A ASN 201.A N GLY 8.A O no hydrogen 2.617 N/A SER 203.A OG VAL 6.A O no hydrogen 3.256 N/A SER 213.A OG VAL 204.A O no hydrogen 3.000 N/A SER 213.A OG GLN 212.A O no hydrogen 2.476 N/A VAL 218.A N ALA 200.A O no hydrogen 2.827 N/A VAL 227.A N PHE 224.A O no hydrogen 3.115 N/A GLU 228.A N PHE 224.A O no hydrogen 3.298 N/A LEU 231.A N VAL 227.A O no hydrogen 3.204 N/A LEU 231.A N GLU 228.A O no hydrogen 2.884 N/A GLU 232.A N GLU 228.A O no hydrogen 2.484 N/A TYR 233.A N ARG 229.A O no hydrogen 3.407 N/A GLU 234.A N ALA 230.A O no hydrogen 3.239 N/A GLU 236.A N GLU 232.A O no hydrogen 3.312 N/A ARG 237.A NH1 GLU 234.A OE1 no hydrogen 3.449 N/A ILE 238.A N PHE 235.A O no hydrogen 3.006 N/A LYS 240.A NZ LYS 240.A O no hydrogen 2.882 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.952 N/A ARG 250.A NH2 GLU 271.A OE1 no hydrogen 2.783 N/A THR 252.A OG1 VAL 216.A O no hydrogen 3.223 N/A THR 252.A OG1 GLU 217.A OE1 no hydrogen 3.317 N/A ARG 253.A N GLU 217.A O no hydrogen 3.152 N/A ARG 253.A NE GLU 234.A OE2 no hydrogen 3.017 N/A ARG 253.A NE THR 262.A OG1 no hydrogen 3.198 N/A ARG 253.A NH2 THR 262.A OG1 no hydrogen 2.730 N/A ASP 256.A N ILE 261.A O no hydrogen 2.904 N/A ALA 258.A N ASP 256.A OD2 no hydrogen 3.208 N/A THR 259.A N ASP 256.A OD2 no hydrogen 2.473 N/A THR 259.A OG1 ASP 256.A OD2 no hydrogen 2.730 N/A LYS 260.A N THR 259.A OG1 no hydrogen 2.494 N/A ILE 261.A N THR 259.A OG1 no hydrogen 3.209 N/A THR 262.A OG1 GLU 234.A OE2 no hydrogen 2.879 N/A VAL 263.A N GLY 254.A O no hydrogen 3.092 N/A SER 264.A OG GLU 251.A OE1 no hydrogen 2.673 N/A ARG 275.A N ASP 273.A OD1 no hydrogen 3.058 N/A ARG 275.A NE ASP 273.A O no hydrogen 3.505 N/A GLU 279.A N PHE 77.A O no hydrogen 2.699 N/A ASP 281.A N GLU 279.A OE2 no hydrogen 3.280 N/A ILE 282.A N GLU 279.A O no hydrogen 2.905 N/A VAL 285.A N SER 75.A O no hydrogen 2.780 N/A LEU 287.A N LYS 73.A O no hydrogen 2.924 N/A TYR 291.A N ASP 289.A O no hydrogen 2.774 N/A TYR 291.A OH GLU 54.A OE1 no hydrogen 3.330 N/A LEU 292.A N SER 288.A O no hydrogen 2.952 N/A LEU 292.A N ASP 289.A O no hydrogen 3.250 N/A GLU 294.A N TYR 291.A O no hydrogen 2.915 N/A VAL 295.A N LEU 292.A O no hydrogen 2.895 N/A GLU 305.A N LEU 302.A O no hydrogen 3.011 N/A LYS 306.A N LEU 302.A O no hydrogen 3.204 N/A GLU 308.A N ASP 304.A O no hydrogen 3.363 N/A ARG 309.A N GLU 305.A O no hydrogen 2.615 N/A ARG 309.A NE GLU 301.A OE1 no hydrogen 3.137 N/A ARG 309.A NE GLU 301.A OE2 no hydrogen 3.340 N/A ARG 309.A NH1 GLU 335.A OE1 no hydrogen 3.211 N/A ARG 309.A NH2 GLU 301.A OE2 no hydrogen 3.444 N/A ARG 309.A NH2 GLU 335.A OE2 no hydrogen 2.529 N/A MET 311.A N ALA 307.A O no hydrogen 2.726 N/A TYR 314.A N MET 311.A O no hydrogen 3.370 N/A TYR 314.A OH GLU 335.A OE1 no hydrogen 2.868 N/A GLY 315.A N MET 311.A O no hydrogen 3.192 N/A ALA 321.A N PRO 317.A O no hydrogen 2.794 N/A LYS 322.A N GLU 318.A O no hydrogen 2.827 N/A VAL 323.A N TYR 319.A O no hydrogen 3.110 N/A LEU 324.A N ASP 320.A O no hydrogen 3.305 N/A THR 325.A N ALA 321.A O no hydrogen 3.152 N/A THR 325.A OG1 ALA 321.A O no hydrogen 3.162 N/A THR 325.A OG1 LYS 322.A O no hydrogen 3.166 N/A SER 326.A N VAL 323.A O no hydrogen 3.370 N/A SER 326.A OG VAL 323.A O no hydrogen 2.946 N/A SER 327.A OG GLU 329.A OE1 no hydrogen 3.166 N/A ALA 331.A N SER 327.A O no hydrogen 2.860 N/A GLU 332.A N LYS 328.A O no hydrogen 2.940 N/A GLU 332.A N GLU 329.A O no hydrogen 3.153 N/A PHE 333.A N GLU 329.A O no hydrogen 2.957 N/A PHE 334.A N LEU 330.A O no hydrogen 2.858 N/A GLU 336.A N GLU 332.A O no hydrogen 2.824 N/A CYS 337.A N PHE 334.A O no hydrogen 3.008 N/A VAL 338.A N PHE 334.A O no hydrogen 2.706 N/A LYS 339.A N GLU 335.A O no hydrogen 2.826 N/A VAL 340.A N CYS 337.A O no hydrogen 3.149 N/A VAL 341.A N CYS 337.A O no hydrogen 3.217 N/A VAL 341.A N VAL 338.A O no hydrogen 2.589 N/A ARG 343.A N VAL 341.A O no hydrogen 2.408 N/A ARG 343.A NH2 ASP 384.A OD2 no hydrogen 2.803 N/A SER 348.A N PRO 344.A O no hydrogen 2.901 N/A SER 348.A OG ASP 320.A OD2 no hydrogen 2.062 N/A TRP 350.A N ASP 346.A O no hydrogen 3.239 N/A ILE 351.A N LEU 347.A O no hydrogen 3.207 N/A ILE 351.A N SER 348.A O no hydrogen 2.755 N/A MET 352.A N SER 348.A O no hydrogen 2.992 N/A THR 353.A N ASN 349.A O no hydrogen 2.824 N/A THR 353.A OG1 ASN 349.A O no hydrogen 3.361 N/A GLU 354.A N THR 353.A OG1 no hydrogen 2.525 N/A VAL 355.A N TRP 350.A O no hydrogen 2.870 N/A LEU 356.A N ILE 351.A O no hydrogen 2.881 N/A ARG 357.A NE GLU 361.A OE1 no hydrogen 3.222 N/A LEU 359.A N VAL 355.A O no hydrogen 3.194 N/A ASN 360.A N ARG 357.A O no hydrogen 2.833 N/A GLU 361.A N ARG 357.A O no hydrogen 2.909 N/A ARG 362.A NE GLU 358.A O no hydrogen 3.265 N/A ARG 362.A NH2 GLU 402.A OE1 no hydrogen 2.858 N/A SER 369.A OG ILE 366.A O no hydrogen 2.777 N/A LEU 371.A N SER 369.A O no hydrogen 2.423 N/A THR 372.A N HIS 375.A ND1 no hydrogen 3.021 N/A THR 372.A OG1 HIS 375.A ND1 no hydrogen 3.077 N/A HIS 375.A N THR 372.A O no hydrogen 2.853 N/A HIS 375.A ND1 THR 372.A O no hydrogen 2.955 N/A HIS 375.A NE2 GLY 404.A O no hydrogen 2.692 N/A ALA 377.A N PRO 373.A O no hydrogen 2.895 N/A LEU 379.A N HIS 375.A O no hydrogen 2.555 N/A PHE 380.A N PHE 376.A O no hydrogen 2.607 N/A LYS 381.A N ALA 377.A O no hydrogen 3.339 N/A MET 383.A N PHE 380.A O no hydrogen 2.698 N/A ASP 384.A N PHE 380.A O no hydrogen 3.017 N/A GLY 386.A N MET 383.A O no hydrogen 2.845 N/A LYS 387.A N LEU 382.A O no hydrogen 3.003 N/A ILE 392.A N SER 389.A OG no hydrogen 3.076 N/A ALA 393.A N SER 389.A O no hydrogen 2.772 N/A LYS 394.A N LYS 391.A O no hydrogen 2.647 N/A GLU 395.A N LYS 391.A O no hydrogen 2.923 N/A ILE 396.A N ILE 392.A O no hydrogen 2.894 N/A PHE 401.A N PHE 397.A O no hydrogen 3.081 N/A THR 403.A N GLU 399.A O no hydrogen 2.959 N/A THR 403.A OG1 GLU 399.A O no hydrogen 2.794 N/A GLY 404.A N VAL 400.A O no hydrogen 2.909 N/A LYS 405.A NZ GLU 413.A OE1 no hydrogen 3.149 N/A SER 408.A N ASP 378.A OD1 no hydrogen 3.197 N/A SER 408.A OG ASP 378.A OD1 no hydrogen 2.731 N/A GLN 409.A N MET 406.A O no hydrogen 2.641 N/A ILE 410.A N MET 406.A O no hydrogen 3.293 N/A GLU 412.A N GLN 409.A O no hydrogen 3.012 N/A LYS 414.A N ILE 410.A O no hydrogen 3.407 N/A GLY 415.A N VAL 411.A O no hydrogen 2.955 N/A LEU 416.A N VAL 411.A O no hydrogen 3.274 N/A GLN 418.A N LYS 387.A O no hydrogen 3.071 N/A LEU 428.A N LEU 424.A O no hydrogen 2.791 N/A VAL 429.A N ILE 425.A O no hydrogen 3.059 N/A LYS 430.A N GLU 427.A O no hydrogen 2.890 N/A LYS 430.A NZ GLU 426.A OE2 no hydrogen 3.063 N/A LYS 431.A N GLU 427.A O no hydrogen 3.392 N/A LYS 431.A NZ TYR 457.A OH no hydrogen 3.048 N/A MET 433.A N LYS 430.A O no hydrogen 2.630 N/A GLU 434.A N LYS 430.A O no hydrogen 3.231 N/A GLN 435.A N LYS 431.A O no hydrogen 3.367 N/A ASN 436.A N MET 433.A O no hydrogen 3.020 N/A ALA 439.A N ASN 436.A O no hydrogen 3.124 N/A GLN 441.A N PRO 437.A O no hydrogen 2.985 N/A ASP 442.A N LYS 438.A O no hydrogen 3.057 N/A TYR 443.A N ALA 439.A O no hydrogen 2.939 N/A LYS 444.A N VAL 440.A O no hydrogen 2.775 N/A SER 445.A N ASP 442.A O no hydrogen 3.173 N/A SER 445.A OG GLN 441.A O no hydrogen 3.105 N/A SER 445.A OG ASP 442.A O no hydrogen 3.286 N/A GLY 446.A N ASP 442.A O no hydrogen 2.565 N/A LYS 449.A NZ ASN 472.A OD1 no hydrogen 3.193 N/A ALA 450.A N LYS 447.A O no hydrogen 3.303 N/A PHE 453.A N ALA 450.A O no hydrogen 3.390 N/A VAL 455.A N ALA 451.A O no hydrogen 2.796 N/A GLY 456.A N GLY 452.A O no hydrogen 3.253 N/A TYR 457.A N PHE 453.A O no hydrogen 3.004 N/A VAL 458.A N PHE 454.A O no hydrogen 2.900 N/A MET 459.A N VAL 455.A O no hydrogen 3.175 N/A ARG 460.A N GLY 456.A O no hydrogen 2.935 N/A GLU 461.A N TYR 457.A O no hydrogen 3.004 N/A THR 462.A N MET 459.A O no hydrogen 2.644 N/A THR 462.A OG1 VAL 458.A O no hydrogen 2.883 N/A THR 462.A OG1 MET 459.A O no hydrogen 3.476 N/A THR 462.A OG1 LYS 463.A O no hydrogen 3.341 N/A LYS 465.A NZ GLY 415.A O no hydrogen 3.088 N/A LEU 470.A N ASN 467.A OD1 no hydrogen 3.270 N/A THR 471.A N ASN 467.A O no hydrogen 2.812 N/A ASN 472.A N PRO 468.A O no hydrogen 2.948 N/A ARG 473.A N GLU 469.A O no hydrogen 2.973 N/A ILE 474.A N LEU 470.A O no hydrogen 3.082 N/A ILE 475.A N THR 471.A O no hydrogen 3.185 N/A GLN 476.A N ASN 472.A O no hydrogen 3.077 N/A LYS 477.A N ILE 474.A O no hydrogen 2.916 N/A LEU 478.A N ILE 474.A O no hydrogen 3.088 N/A LEU 479.A N ILE 475.A O no hydrogen 3.158 N/A