Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8r2l_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG ARG 1.A O no hydrogen 2.519 N/A ARG 8.A NE THR 31.A OG1 no hydrogen 2.939 N/A ARG 8.A NH1 GLU 372.A OE2 no hydrogen 3.150 N/A ARG 8.A NH2 GLU 372.A OE1 no hydrogen 2.821 N/A ARG 8.A NH2 GLU 372.A OE2 no hydrogen 3.306 N/A ASP 9.A N CYS 29.A O no hydrogen 3.203 N/A VAL 11.A N THR 31.A O no hydrogen 3.101 N/A THR 12.A OG1 THR 33.A OG1 no hydrogen 3.332 N/A THR 17.A N THR 14.A O no hydrogen 3.313 N/A THR 17.A OG1 THR 14.A O no hydrogen 2.868 N/A VAL 20.A N VAL 291.A O no hydrogen 3.169 N/A THR 21.A OG1 GLU 290.A OE1 no hydrogen 3.480 N/A LEU 22.A N CYS 289.A O no hydrogen 2.844 N/A LEU 24.A N VAL 287.A O no hydrogen 2.892 N/A GLY 27.A N LEU 44.A O no hydrogen 3.277 N/A CYS 29.A N ASN 7.A O no hydrogen 3.279 N/A VAL 30.A N VAL 42.A O no hydrogen 3.137 N/A THR 31.A N ASP 9.A O no hydrogen 2.670 N/A THR 31.A OG1 ASP 41.A OD1 no hydrogen 3.124 N/A ILE 32.A N MET 40.A O no hydrogen 2.722 N/A THR 33.A N VAL 11.A O no hydrogen 2.860 N/A THR 33.A OG1 THR 12.A OG1 no hydrogen 3.332 N/A LYS 37.A N ALA 34.A O no hydrogen 3.178 N/A SER 39.A OG MET 357.A O no hydrogen 2.784 N/A MET 40.A N ILE 32.A O no hydrogen 3.148 N/A ASP 41.A N GLU 143.A O no hydrogen 2.966 N/A VAL 42.A N VAL 30.A O no hydrogen 3.049 N/A TRP 43.A N LYS 141.A O no hydrogen 3.019 N/A ASP 45.A N THR 139.A O no hydrogen 2.704 N/A TYR 48.A N VAL 137.A O no hydrogen 3.179 N/A GLN 49.A N TYR 280.A O no hydrogen 3.016 N/A GLN 49.A NE2 VAL 130.A O no hydrogen 3.532 N/A THR 55.A N GLY 128.A O no hydrogen 3.486 N/A GLU 57.A N LYS 227.A O no hydrogen 2.742 N/A TYR 58.A N ALA 126.A O no hydrogen 2.852 N/A TYR 58.A OH PHE 219.A O no hydrogen 2.683 N/A CYS 59.A N PRO 225.A O no hydrogen 2.824 N/A CYS 59.A SG HIS 61.A O no hydrogen 2.787 N/A LEU 60.A N LYS 124.A O no hydrogen 2.841 N/A LYS 63.A N SER 119.A O no hydrogen 2.640 N/A SER 65.A N LYS 117.A O no hydrogen 2.996 N/A SER 65.A OG LYS 117.A O no hydrogen 3.533 N/A LYS 68.A N CYS 115.A O no hydrogen 2.628 N/A ALA 70.A N VAL 113.A O no hydrogen 2.949 N/A ARG 72.A N SER 111.A O no hydrogen 2.953 N/A CYS 73.A SG HIS 103.A O no hydrogen 3.884 N/A ALA 79.A N SER 111.A OG no hydrogen 3.112 N/A HIS 85.A N ALA 82.A O no hydrogen 2.932 N/A THR 89.A OG1 GLU 83.A O no hydrogen 3.133 N/A VAL 90.A N VAL 116.A O no hydrogen 2.598 N/A CYS 91.A SG GLU 83.A O no hydrogen 3.877 N/A LYS 92.A N THR 114.A O no hydrogen 2.979 N/A ARG 93.A NH1 ALA 79.A O no hydrogen 3.150 N/A ARG 93.A NH2 ALA 79.A O no hydrogen 3.061 N/A ASP 94.A N ILE 112.A O no hydrogen 2.809 N/A GLN 95.A N GLN 95.A OE1 no hydrogen 2.765 N/A SER 96.A OG GLY 110.A O no hydrogen 3.361 N/A ARG 98.A N GLY 108.A O no hydrogen 3.164 N/A ARG 98.A NE ASN 102.A O no hydrogen 3.013 N/A ARG 98.A NE ASN 102.A OD1 no hydrogen 2.792 N/A ARG 98.A NH2 ASN 102.A O no hydrogen 3.257 N/A GLY 99.A N ASN 102.A OD1 no hydrogen 2.655 N/A HIS 103.A N TRP 100.A O no hydrogen 3.105 N/A GLY 108.A N ARG 98.A O no hydrogen 3.097 N/A LYS 109.A NZ ASP 97.A OD1 no hydrogen 3.277 N/A GLY 110.A N SER 96.A O no hydrogen 2.869 N/A ILE 112.A N ASP 94.A O no hydrogen 2.947 N/A VAL 113.A N ALA 70.A O no hydrogen 2.839 N/A THR 114.A N LYS 92.A O no hydrogen 2.984 N/A CYS 115.A N LYS 68.A O no hydrogen 2.721 N/A VAL 116.A N VAL 90.A O no hydrogen 2.787 N/A LYS 117.A N SER 65.A O no hydrogen 2.991 N/A ALA 118.A N GLY 88.A O no hydrogen 3.319 N/A SER 119.A N LYS 63.A O no hydrogen 2.985 N/A SER 119.A OG LYS 63.A O no hydrogen 3.455 N/A CYS 120.A SG HIS 61.A O no hydrogen 3.409 N/A CYS 120.A SG LYS 124.A O no hydrogen 3.728 N/A GLU 121.A N HIS 61.A O no hydrogen 3.226 N/A LYS 124.A N GLU 121.A O no hydrogen 3.235 N/A ALA 126.A N TYR 58.A O no hydrogen 2.826 N/A THR 127.A N GLU 200.A O no hydrogen 2.863 N/A THR 127.A OG1 GLU 200.A O no hydrogen 3.490 N/A HIS 129.A N ILE 198.A O no hydrogen 2.756 N/A VAL 130.A N ALA 53.A O no hydrogen 2.861 N/A ASP 132.A N GLN 49.A OE1 no hydrogen 2.686 N/A LYS 135.A N ASP 132.A O no hydrogen 2.834 N/A ILE 136.A N ALA 133.A O no hydrogen 3.341 N/A VAL 137.A N TYR 48.A O no hydrogen 2.839 N/A TYR 138.A N PHE 164.A O no hydrogen 2.818 N/A THR 139.A N SER 46.A O no hydrogen 2.904 N/A THR 139.A OG1 SER 46.A OG no hydrogen 3.060 N/A VAL 140.A N ALA 162.A O no hydrogen 2.977 N/A LYS 141.A N TRP 43.A O no hydrogen 2.918 N/A LYS 141.A NZ THR 161.A OG1 no hydrogen 2.881 N/A GLU 143.A N ASP 41.A O no hydrogen 3.194 N/A HIS 145.A N SER 39.A O no hydrogen 2.802 N/A HIS 145.A NE2 GLU 372.A OE1 no hydrogen 2.619 N/A ARG 159.A N HIS 156.A ND1 no hydrogen 2.790 N/A LYS 160.A N VAL 142.A O no hydrogen 2.958 N/A ALA 162.A N VAL 140.A O no hydrogen 3.055 N/A PHE 164.A N TYR 138.A O no hydrogen 2.714 N/A THR 165.A OG1 ASN 134.A O no hydrogen 3.488 N/A THR 165.A OG1 SER 167.A OG no hydrogen 2.917 N/A SER 167.A OG THR 165.A OG1 no hydrogen 2.917 N/A LEU 173.A N VAL 181.A O no hydrogen 2.914 N/A MET 175.A N GLY 179.A O no hydrogen 3.063 N/A GLY 179.A N MET 175.A O no hydrogen 3.346 N/A ASP 180.A N LYS 295.A O no hydrogen 3.057 N/A SER 182.A N GLY 292.A O no hydrogen 2.827 N/A SER 182.A OG GLY 292.A O no hydrogen 3.281 N/A LEU 183.A N THR 171.A O no hydrogen 2.843 N/A LEU 184.A N GLU 290.A O no hydrogen 3.105 N/A CYS 185.A N GLU 169.A O no hydrogen 3.001 N/A SER 189.A OG GLY 190.A O no hydrogen 2.932 N/A SER 189.A OG VAL 191.A O no hydrogen 3.250 N/A GLN 195.A NE2 ASP 217.A OD2 no hydrogen 3.362 N/A THR 196.A OG1 GLN 195.A O no hydrogen 2.780 N/A ILE 198.A N HIS 129.A O no hydrogen 2.873 N/A LEU 199.A N TRP 212.A O no hydrogen 2.950 N/A GLU 200.A N THR 127.A O no hydrogen 2.987 N/A LEU 201.A N THR 210.A O no hydrogen 2.694 N/A LYS 203.A NZ ASP 202.A OD1 no hydrogen 3.408 N/A THR 204.A N ASP 202.A O no hydrogen 2.522 N/A HIS 207.A N HIS 207.A ND1 no hydrogen 2.717 N/A THR 210.A OG1 LEU 201.A O no hydrogen 3.287 N/A TRP 212.A N LEU 199.A O no hydrogen 3.070 N/A VAL 214.A N VAL 197.A O no hydrogen 2.877 N/A TRP 218.A N ASP 217.A OD1 no hydrogen 2.953 N/A PHE 219.A N HIS 215.A O no hydrogen 3.483 N/A ASN 220.A N ASP 217.A O no hydrogen 2.892 N/A ASP 221.A N ASP 217.A O no hydrogen 3.183 N/A LEU 224.A N LEU 222.A O no hydrogen 2.860 N/A TRP 226.A N ASN 235.A O no hydrogen 3.128 N/A LYS 227.A NZ GLU 57.A OE2 no hydrogen 3.532 N/A ASN 235.A N TRP 226.A O no hydrogen 3.196 N/A ASN 235.A N ASN 235.A OD1 no hydrogen 2.340 N/A ARG 239.A N ASN 236.A O no hydrogen 3.037 N/A LEU 240.A N ALA 237.A O no hydrogen 2.953 N/A GLU 242.A N TYR 254.A O no hydrogen 3.009 N/A GLY 244.A N ASP 252.A O no hydrogen 2.880 N/A LYS 250.A N HIS 247.A O no hydrogen 3.101 N/A TYR 254.A N GLU 242.A O no hydrogen 2.582 N/A ASN 255.A ND2 ALA 62.A O no hydrogen 2.799 N/A LEU 256.A N LEU 240.A O no hydrogen 2.817 N/A GLY 257.A N ASN 255.A OD1 no hydrogen 3.083 N/A GLN 259.A N LEU 60.A O no hydrogen 2.799 N/A GLN 259.A NE2 GLY 257.A O no hydrogen 3.316 N/A THR 260.A N ASP 258.A OD2 no hydrogen 2.753 N/A THR 260.A OG1 ASP 258.A OD2 no hydrogen 2.569 N/A LEU 263.A N GLN 259.A O no hydrogen 2.796 N/A LEU 264.A N THR 260.A O no hydrogen 3.057 N/A LYS 265.A N GLY 261.A O no hydrogen 2.623 N/A SER 266.A N VAL 262.A O no hydrogen 3.082 N/A LEU 267.A N LEU 263.A O no hydrogen 2.903 N/A ALA 268.A N LYS 265.A O no hydrogen 2.650 N/A VAL 270.A N LEU 267.A O no hydrogen 2.873 N/A ALA 273.A N ALA 211.A O no hydrogen 2.772 N/A ASP 276.A N LYS 279.A O no hydrogen 3.005 N/A THR 278.A OG1 ASP 276.A O no hydrogen 3.360 N/A LYS 279.A N ASP 276.A O no hydrogen 3.115 N/A TYR 280.A N GLN 49.A O no hydrogen 2.882 N/A TYR 280.A OH GLU 200.A OE1 no hydrogen 3.347 N/A HIS 281.A N HIS 274.A O no hydrogen 3.311 N/A LEU 282.A N ILE 47.A O no hydrogen 2.914 N/A LYS 283.A N GLN 213.A OE1 no hydrogen 2.557 N/A LYS 283.A NZ LEU 282.A O no hydrogen 3.530 N/A VAL 287.A N LEU 24.A O no hydrogen 2.877 N/A THR 288.A N ARG 186.A O no hydrogen 3.370 N/A CYS 289.A N LEU 22.A O no hydrogen 2.920 N/A GLU 290.A N LEU 184.A O no hydrogen 2.976 N/A VAL 291.A N VAL 20.A O no hydrogen 2.828 N/A GLY 292.A N SER 182.A O no hydrogen 2.877 N/A LEU 293.A N THR 18.A O no hydrogen 2.815 N/A LYS 295.A N LEU 293.A O no hydrogen 2.505 N/A LEU 296.A N LEU 293.A O no hydrogen 3.110 N/A LYS 297.A N TYR 178.A O no hydrogen 2.355 N/A GLY 300.A N MET 298.A O no hydrogen 2.665 N/A TYR 303.A OH GLU 364.A OE1 no hydrogen 3.182 N/A TYR 303.A OH GLU 364.A OE2 no hydrogen 3.428 N/A CYS 306.A N ARG 338.A O no hydrogen 2.857 N/A CYS 306.A SG ARG 338.A O no hydrogen 3.119 N/A THR 309.A N ASP 307.A OD2 no hydrogen 2.682 N/A THR 309.A OG1 ASP 307.A OD1 no hydrogen 3.293 N/A THR 309.A OG1 ASP 307.A OD2 no hydrogen 2.696 N/A LYS 310.A N ASP 307.A O no hydrogen 3.409 N/A LYS 310.A NZ ASP 307.A OD1 no hydrogen 2.940 N/A THR 312.A N ALA 330.A O no hydrogen 2.708 N/A TRP 313.A NE1 SER 388.A O no hydrogen 3.270 N/A ARG 315.A N GLU 328.A O no hydrogen 2.821 N/A THR 318.A N VAL 326.A O no hydrogen 2.908 N/A THR 318.A OG1 ASP 319.A O no hydrogen 3.207 N/A SER 320.A N THR 324.A O no hydrogen 3.045 N/A SER 320.A OG THR 324.A O no hydrogen 3.179 N/A SER 320.A OG THR 324.A OG1 no hydrogen 2.975 N/A GLY 321.A N ASP 319.A OD1 no hydrogen 2.578 N/A HIS 322.A NE2 GLU 6.A O no hydrogen 2.713 N/A THR 324.A OG1 SER 320.A OG no hydrogen 2.975 N/A THR 324.A OG1 GLU 372.A OE2 no hydrogen 2.330 N/A VAL 325.A N MET 373.A O no hydrogen 2.569 N/A VAL 326.A N THR 318.A O no hydrogen 3.243 N/A MET 327.A N ILE 371.A O no hydrogen 2.820 N/A GLU 328.A N ARG 315.A O no hydrogen 3.123 N/A VAL 329.A N GLY 369.A O no hydrogen 2.722 N/A ALA 330.A N THR 312.A O no hydrogen 2.895 N/A SER 332.A N LYS 310.A O no hydrogen 3.105 N/A SER 332.A OG LYS 310.A O no hydrogen 3.443 N/A THR 334.A OG1 GLY 333.A O no hydrogen 2.570 N/A CYS 337.A SG LYS 335.A O no hydrogen 3.493 N/A ILE 339.A N PRO 361.A O no hydrogen 3.107 N/A ARG 342.A NH2 GLY 385.A O no hydrogen 3.174 N/A ALA 343.A N ASN 352.A OD1 no hydrogen 2.785 N/A VAL 344.A N ILE 381.A O no hydrogen 2.972 N/A SER 348.A N ALA 345.A O no hydrogen 2.973 N/A VAL 353.A N ALA 343.A O no hydrogen 2.857 N/A ALA 354.A N ASN 352.A OD1 no hydrogen 3.373 N/A MET 355.A N GLN 374.A O no hydrogen 3.095 N/A MET 357.A N GLU 372.A O no hydrogen 3.058 N/A THR 362.A OG1 GLU 364.A OE2 no hydrogen 3.169 N/A ILE 363.A N CYS 337.A O no hydrogen 3.155 N/A GLU 364.A N GLY 367.A O no hydrogen 3.282 N/A ILE 371.A N MET 327.A O no hydrogen 2.776 N/A GLU 372.A N THR 358.A OG1 no hydrogen 3.101 N/A MET 373.A N VAL 325.A O no hydrogen 2.565 N/A GLN 374.A N MET 355.A O no hydrogen 2.704 N/A GLY 378.A N GLN 393.A O no hydrogen 3.220 N/A ASN 380.A N TRP 391.A O no hydrogen 2.691 N/A ASN 380.A ND2 PRO 376.A O no hydrogen 3.565 N/A ILE 381.A N VAL 344.A O no hydrogen 2.810 N/A ILE 382.A N HIS 389.A O no hydrogen 2.905 N/A TYR 383.A N ARG 342.A O no hydrogen 2.819 N/A VAL 384.A N LEU 387.A O no hydrogen 2.918 N/A GLY 385.A N PRO 340.A O no hydrogen 2.657 N/A GLU 386.A N LYS 308.A O no hydrogen 2.806 N/A HIS 389.A N ILE 382.A O no hydrogen 3.126 N/A HIS 389.A ND1 GLN 390.A O no hydrogen 3.003 N/A TRP 391.A N ASN 380.A O no hydrogen 2.969 N/A TRP 391.A NE1 GLN 393.A OE1 no hydrogen 2.957 N/A LYS 394.A NZ PHE 392.A O no hydrogen 2.917 N/A