Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8sjk_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N SER 25.A O no hydrogen 3.050 N/A VAL 5.A N LYS 23.A O no hydrogen 2.813 N/A GLN 6.A N GLN 112.A OE1 no hydrogen 2.942 N/A GLN 6.A NE2 TYR 94.A O no hydrogen 2.853 N/A SER 7.A N SER 21.A O no hydrogen 3.197 N/A GLU 10.A N THR 115.A O no hydrogen 2.889 N/A LYS 12.A N THR 117.A O no hydrogen 2.947 N/A GLY 15.A N LEU 86.A O no hydrogen 2.744 N/A ALA 16.A N LYS 13.A O no hydrogen 3.041 N/A VAL 18.A N LEU 83.A O no hydrogen 2.966 N/A VAL 20.A N MET 81.A O no hydrogen 2.922 N/A SER 21.A N SER 7.A OG no hydrogen 3.155 N/A CYS 22.A N ALA 79.A O no hydrogen 2.756 N/A LYS 23.A N VAL 5.A O no hydrogen 2.763 N/A LYS 23.A NZ THR 76.A O no hydrogen 2.980 N/A ALA 24.A N THR 77.A O no hydrogen 2.853 N/A SER 25.A N GLN 3.A O no hydrogen 3.160 N/A ASN 31.A N THR 28.A O no hydrogen 3.029 N/A TYR 32.A N PHE 29.A O no hydrogen 3.274 N/A TYR 33.A N ARG 99.A O no hydrogen 2.805 N/A MET 34.A N ILE 51.A O no hydrogen 3.130 N/A TYR 35.A N ALA 97.A O no hydrogen 2.695 N/A TRP 36.A N GLY 49.A O no hydrogen 2.809 N/A VAL 37.A N TYR 95.A O no hydrogen 2.836 N/A ARG 38.A N GLU 46.A O no hydrogen 2.841 N/A ARG 38.A NE GLU 46.A OE1 no hydrogen 3.215 N/A ARG 38.A NH1 ASP 90.A OD1 no hydrogen 2.879 N/A ARG 38.A NH1 TYR 94.A OH no hydrogen 3.139 N/A GLN 39.A N VAL 93.A O no hydrogen 2.831 N/A GLN 39.A NE2 GLN 43.A O no hydrogen 3.177 N/A GLN 43.A N ALA 40.A O no hydrogen 2.923 N/A GLU 46.A N ARG 38.A O no hydrogen 2.917 N/A MET 48.A N TRP 36.A O no hydrogen 2.807 N/A GLY 49.A N TRP 36.A O no hydrogen 3.479 N/A GLY 50.A N ASN 59.A O no hydrogen 2.859 N/A ILE 51.A N MET 34.A O no hydrogen 3.052 N/A ASN 52.A N GLY 57.A O no hydrogen 2.707 N/A SER 54.A N ASN 52.A OD1 no hydrogen 3.257 N/A SER 54.A OG ASN 52.A OD1 no hydrogen 2.792 N/A GLY 56.A N ASN 52.A O no hydrogen 2.888 N/A GLY 57.A N ASN 55.A OD1 no hydrogen 2.677 N/A ASN 59.A N GLY 50.A O no hydrogen 2.928 N/A ASN 61.A N MET 48.A O no hydrogen 2.922 N/A ASN 61.A ND2 TRP 47.A O no hydrogen 2.772 N/A LYS 63.A N ASN 61.A OD1 no hydrogen 3.161 N/A LYS 63.A NZ GLU 46.A OE2 no hydrogen 3.322 N/A PHE 64.A N ASN 61.A O no hydrogen 2.887 N/A ARG 67.A N PHE 64.A O no hydrogen 3.265 N/A ARG 67.A NH1 LYS 84.A O no hydrogen 3.380 N/A ARG 67.A NH1 SER 85.A O no hydrogen 3.133 N/A ARG 67.A NH1 ASP 90.A OD2 no hydrogen 2.729 N/A ARG 67.A NH2 ASP 90.A OD1 no hydrogen 3.035 N/A VAL 68.A N PHE 64.A O no hydrogen 3.175 N/A THR 69.A N GLU 82.A O no hydrogen 3.077 N/A THR 71.A N TYR 80.A O no hydrogen 3.330 N/A ASP 73.A N THR 78.A O no hydrogen 2.901 N/A SER 75.A OG ASP 73.A OD1 no hydrogen 2.660 N/A THR 76.A OG1 ASP 73.A OD2 no hydrogen 2.754 N/A THR 76.A OG1 THR 78.A OG1 no hydrogen 3.415 N/A THR 77.A OG1 ALA 24.A O no hydrogen 3.057 N/A THR 78.A N ASP 73.A O no hydrogen 3.119 N/A THR 78.A OG1 THR 76.A O no hydrogen 2.715 N/A THR 78.A OG1 THR 76.A OG1 no hydrogen 3.415 N/A ALA 79.A N CYS 22.A O no hydrogen 2.861 N/A TYR 80.A N THR 71.A O no hydrogen 2.814 N/A MET 81.A N VAL 20.A O no hydrogen 2.892 N/A GLU 82.A N THR 69.A O no hydrogen 3.042 N/A LEU 83.A N VAL 18.A O no hydrogen 2.972 N/A LYS 84.A N ARG 67.A O no hydrogen 3.094 N/A LYS 84.A NZ GLU 82.A OE2 no hydrogen 3.157 N/A LEU 86.A N ALA 16.A O no hydrogen 2.853 N/A GLN 87.A N ASP 90.A OD2 no hydrogen 2.766 N/A GLN 87.A NE2 SER 85.A O no hydrogen 3.329 N/A ASP 90.A N GLN 87.A O no hydrogen 3.063 N/A THR 91.A N PHE 88.A O no hydrogen 3.369 N/A THR 91.A OG1 PHE 88.A O no hydrogen 3.123 N/A ALA 92.A N VAL 116.A O no hydrogen 3.127 N/A VAL 93.A N GLN 39.A O no hydrogen 2.970 N/A TYR 94.A N THR 114.A O no hydrogen 2.872 N/A TYR 94.A OH ASP 90.A O no hydrogen 2.754 N/A TYR 95.A N VAL 37.A O no hydrogen 2.704 N/A CYS 96.A N GLN 6.A OE1 no hydrogen 3.436 N/A ALA 97.A N TYR 35.A O no hydrogen 2.742 N/A ARG 98.A N TYR 109.A O no hydrogen 2.880 N/A ARG 98.A NE ASP 108.A OD1 no hydrogen 2.972 N/A ARG 98.A NE ASP 108.A OD2 no hydrogen 3.278 N/A ARG 98.A NH2 ASP 108.A OD2 no hydrogen 2.990 N/A ARG 99.A N TYR 33.A O no hydrogen 3.181 N/A ARG 99.A NE ASP 100.A O no hydrogen 2.773 N/A ARG 99.A NH2 ASP 100.A O no hydrogen 2.690 N/A TYR 101.A N ASN 31.A O no hydrogen 3.040 N/A ARG 102.A N ASP 100.A OD2 no hydrogen 2.767 N/A ARG 102.A NE ASP 100.A OD2 no hydrogen 3.060 N/A ARG 102.A NH2 ASP 100.A OD1 no hydrogen 2.741 N/A PHE 103.A N ASP 100.A OD2 no hydrogen 3.475 N/A GLY 106.A N ASP 104.A OD1 no hydrogen 3.181 N/A GLY 111.A N CYS 96.A O no hydrogen 2.904 N/A GLN 112.A N GLN 112.A OE1 no hydrogen 2.739 N/A GLN 112.A NE2 GLN 6.A O no hydrogen 3.055 N/A GLY 113.A N GLN 6.A OE1 no hydrogen 2.954 N/A THR 114.A N TYR 94.A O no hydrogen 2.873 N/A THR 114.A OG1 SER 7.A O no hydrogen 2.750 N/A VAL 116.A N ALA 92.A O no hydrogen 2.951 N/A THR 117.A N GLU 10.A O no hydrogen 2.825 N/A VAL 118.A N THR 91.A OG1 no hydrogen 2.942 N/A SER 119.A N LYS 12.A O no hydrogen 2.846 N/A ALA 121.A N SER 119.A OG no hydrogen 3.024 N/A LYS 124.A N PHE 148.A O no hydrogen 2.735 N/A SER 127.A N LYS 145.A O no hydrogen 3.087 N/A PHE 129.A N LEU 143.A O no hydrogen 2.808 N/A LEU 131.A N GLY 141.A O no hydrogen 2.817 N/A ALA 138.A N VAL 186.A O no hydrogen 2.743 N/A LEU 140.A N VAL 184.A O no hydrogen 3.048 N/A GLY 141.A N LEU 131.A O no hydrogen 2.790 N/A CYS 142.A N SER 182.A O no hydrogen 2.691 N/A LEU 143.A N PHE 129.A O no hydrogen 2.787 N/A VAL 144.A N LEU 180.A O no hydrogen 2.719 N/A LYS 145.A N SER 127.A O no hydrogen 3.025 N/A LYS 145.A NZ ASP 146.A OD1 no hydrogen 3.190 N/A LYS 145.A NZ GLN 173.A OE1 no hydrogen 2.896 N/A TYR 147.A N TYR 178.A O no hydrogen 2.973 N/A PHE 148.A N LYS 124.A O no hydrogen 2.891 N/A THR 153.A N ASP 201.A O no hydrogen 2.991 N/A SER 155.A N ASN 199.A O no hydrogen 3.049 N/A SER 155.A OG ASN 199.A OD1 no hydrogen 2.883 N/A TRP 156.A NE1 SER 182.A OG no hydrogen 3.093 N/A ASN 157.A N THR 197.A O no hydrogen 2.757 N/A ASN 157.A ND2 THR 195.A O no hydrogen 3.407 N/A SER 158.A N ASN 199.A OD1 no hydrogen 2.997 N/A GLY 159.A N TRP 156.A O no hydrogen 2.933 N/A ALA 160.A N ASN 157.A O no hydrogen 3.039 N/A LEU 161.A N TRP 156.A O no hydrogen 3.396 N/A VAL 165.A N THR 162.A O no hydrogen 3.444 N/A HIS 166.A N VAL 183.A O no hydrogen 2.967 N/A THR 167.A OG1 SER 182.A OG no hydrogen 2.848 N/A PHE 168.A N SER 181.A O no hydrogen 2.915 N/A VAL 171.A N SER 179.A O no hydrogen 2.945 N/A GLN 173.A N LEU 177.A O no hydrogen 3.030 N/A GLN 173.A NE2 ASP 146.A OD1 no hydrogen 2.825 N/A GLN 173.A NE2 LEU 177.A O no hydrogen 2.755 N/A GLY 176.A N GLN 173.A O no hydrogen 3.088 N/A TYR 178.A N TYR 147.A O no hydrogen 2.737 N/A SER 179.A N VAL 171.A O no hydrogen 3.119 N/A LEU 180.A N VAL 144.A O no hydrogen 2.803 N/A SER 182.A N CYS 142.A O no hydrogen 2.969 N/A SER 182.A OG THR 167.A OG1 no hydrogen 2.848 N/A VAL 183.A N HIS 166.A O no hydrogen 3.081 N/A VAL 184.A N LEU 140.A O no hydrogen 2.800 N/A THR 185.A N GLY 164.A O no hydrogen 3.164 N/A VAL 186.A N ALA 138.A O no hydrogen 2.834 N/A SER 188.A N SER 136.A O no hydrogen 2.990 N/A SER 188.A OG GLU 135.A O no hydrogen 2.709 N/A SER 190.A N PRO 187.A O no hydrogen 2.984 N/A LEU 191.A N SER 188.A O no hydrogen 3.090 N/A LYS 194.A N SER 190.A O no hydrogen 2.746 N/A THR 197.A N ASN 157.A OD1 no hydrogen 2.863 N/A CYS 198.A N LYS 211.A O no hydrogen 3.032 N/A ASN 199.A N SER 155.A O no hydrogen 2.889 N/A ASN 199.A ND2 ASP 210.A OD1 no hydrogen 2.830 N/A VAL 200.A N VAL 209.A O no hydrogen 2.652 N/A ASP 201.A N THR 153.A O no hydrogen 3.069 N/A HIS 202.A N THR 207.A O no hydrogen 2.871 N/A HIS 202.A ND1 SER 205.A OG no hydrogen 2.662 N/A HIS 202.A NE2 PRO 149.A O no hydrogen 2.708 N/A SER 205.A N HIS 202.A O no hydrogen 3.372 N/A SER 205.A OG HIS 202.A ND1 no hydrogen 2.662 N/A SER 205.A OG HIS 202.A O no hydrogen 3.403 N/A SER 205.A OG THR 207.A OG1 no hydrogen 2.662 N/A ASN 206.A N LYS 203.A O no hydrogen 2.803 N/A THR 207.A N HIS 202.A O no hydrogen 3.018 N/A THR 207.A OG1 SER 205.A O no hydrogen 3.480 N/A THR 207.A OG1 SER 205.A OG no hydrogen 2.662 N/A VAL 209.A N VAL 200.A O no hydrogen 2.796 N/A LYS 211.A N CYS 198.A O no hydrogen 2.893 N/A ARG 212.A NE THR 197.A OG1 no hydrogen 3.249 N/A VAL 213.A N TYR 196.A O no hydrogen 2.938 N/A SER 218.A N VAL 243.A O no hydrogen 2.807 N/A PHE 220.A N VAL 241.A O no hydrogen 2.862 N/A PHE 222.A N THR 239.A O no hydrogen 2.748 N/A LYS 227.A NZ GLU 359.A OE2 no hydrogen 2.761 N/A ASP 228.A N LYS 225.A O no hydrogen 3.156 N/A THR 229.A OG1 PRO 226.A O no hydrogen 3.072 N/A LEU 230.A N LYS 227.A O no hydrogen 3.298 N/A ARG 234.A N MET 231.A O no hydrogen 3.095 N/A ARG 234.A NE ASP 228.A OD1 no hydrogen 3.350 N/A VAL 238.A N LEU 285.A O no hydrogen 2.817 N/A THR 239.A N PHE 222.A O no hydrogen 3.111 N/A CYS 240.A N SER 283.A O no hydrogen 3.009 N/A VAL 241.A N PHE 220.A O no hydrogen 2.818 N/A VAL 242.A N VAL 281.A O no hydrogen 2.900 N/A VAL 243.A N SER 218.A O no hydrogen 2.919 N/A VAL 245.A N TYR 279.A O no hydrogen 3.428 N/A ASP 249.A N SER 246.A O no hydrogen 3.367 N/A GLN 253.A NE2 ASN 255.A OD1 no hydrogen 2.975 N/A ASN 255.A N LYS 301.A O no hydrogen 2.989 N/A ASN 255.A ND2 GLU 262.A OE2 no hydrogen 2.745 N/A TRP 256.A NE1 SER 283.A OG no hydrogen 2.936 N/A TYR 257.A N LYS 299.A O no hydrogen 3.059 N/A VAL 258.A N VAL 261.A O no hydrogen 2.857 N/A ASP 259.A N GLU 297.A O no hydrogen 2.983 N/A VAL 261.A N VAL 258.A O no hydrogen 3.066 N/A VAL 263.A N TRP 256.A O no hydrogen 2.927 N/A LYS 267.A N VAL 284.A O no hydrogen 3.183 N/A LYS 267.A NZ THR 268.A O no hydrogen 2.795 N/A LYS 269.A N VAL 282.A O no hydrogen 2.841 N/A ARG 271.A NE PRO 250.A O no hydrogen 3.157 N/A ARG 271.A NH2 PRO 250.A O no hydrogen 3.396 N/A GLU 272.A N ARG 280.A O no hydrogen 2.951 N/A GLN 274.A N THR 278.A O no hydrogen 2.748 N/A GLN 274.A NE2 GLU 272.A O no hydrogen 3.147 N/A SER 277.A OG ASN 276.A O no hydrogen 2.766 N/A THR 278.A OG1 ASN 276.A OD1 no hydrogen 2.688 N/A TYR 279.A N VAL 245.A O no hydrogen 2.905 N/A ARG 280.A N GLU 272.A O no hydrogen 2.822 N/A ARG 280.A NH1 GLU 272.A OE2 no hydrogen 3.416 N/A VAL 281.A N VAL 242.A O no hydrogen 2.948 N/A SER 283.A N CYS 240.A O no hydrogen 2.920 N/A VAL 284.A N LYS 267.A O no hydrogen 2.979 N/A LEU 285.A N VAL 238.A O no hydrogen 3.027 N/A VAL 287.A N PRO 236.A O no hydrogen 2.872 N/A HIS 289.A NE2 MET 231.A O no hydrogen 3.053 N/A HIS 289.A NE2 ARG 234.A O no hydrogen 2.968 N/A GLN 290.A NE2 ASN 294.A OD1 no hydrogen 3.229 N/A TRP 292.A N LEU 288.A O no hydrogen 3.147 N/A LEU 293.A N HIS 289.A O no hydrogen 3.136 N/A ASN 294.A N GLN 290.A O no hydrogen 2.726 N/A GLY 295.A N TRP 292.A O no hydrogen 3.151 N/A LYS 296.A N ASP 291.A O no hydrogen 3.197 N/A GLU 297.A N ASP 259.A OD1 no hydrogen 3.180 N/A TYR 298.A N ILE 315.A O no hydrogen 2.895 N/A LYS 299.A N TYR 257.A O no hydrogen 2.933 N/A CYS 300.A N LYS 313.A O no hydrogen 2.783 N/A LYS 301.A N ASN 255.A O no hydrogen 2.938 N/A LYS 301.A NZ TYR 257.A OH no hydrogen 3.522 N/A VAL 302.A N ILE 311.A O no hydrogen 2.762 N/A SER 303.A N GLN 253.A O no hydrogen 2.939 N/A SER 303.A OG SER 310.A OG no hydrogen 2.970 N/A ASN 304.A ND2 ASP 249.A O no hydrogen 2.887 N/A ASN 304.A ND2 GLU 251.A O no hydrogen 3.167 N/A GLY 306.A N ASN 304.A OD1 no hydrogen 2.953 N/A LEU 307.A N ASN 304.A O no hydrogen 3.145 N/A SER 310.A OG SER 303.A OG no hydrogen 2.970 N/A ILE 311.A N VAL 302.A O no hydrogen 3.012 N/A LYS 313.A N CYS 300.A O no hydrogen 2.923 N/A ILE 315.A N TYR 298.A O no hydrogen 2.947 N/A LYS 317.A NZ LEU 293.A O no hydrogen 2.652 N/A LYS 317.A NZ GLU 409.A OE1 no hydrogen 2.865 N/A GLN 321.A NE2 PRO 322.A O no hydrogen 3.455 N/A ARG 323.A N TYR 352.A O no hydrogen 2.805 N/A GLN 326.A N LYS 349.A O no hydrogen 2.743 N/A TYR 328.A N LEU 347.A O no hydrogen 2.804 N/A TYR 328.A OH GLN 326.A OE1 no hydrogen 2.929 N/A THR 329.A OG1 SER 419.A O no hydrogen 3.204 N/A LEU 330.A N THR 345.A O no hydrogen 2.875 N/A GLU 335.A N SER 333.A OG no hydrogen 3.185 N/A GLU 336.A N SER 333.A O no hydrogen 3.023 N/A MET 337.A N GLN 334.A O no hydrogen 3.153 N/A VAL 342.A N VAL 391.A O no hydrogen 2.802 N/A SER 343.A N GLU 336.A OE1 no hydrogen 3.207 N/A SER 343.A OG GLU 336.A OE2 no hydrogen 2.899 N/A LEU 344.A N LEU 389.A O no hydrogen 2.806 N/A THR 345.A N LEU 330.A O no hydrogen 3.203 N/A CYS 346.A N SER 387.A O no hydrogen 2.778 N/A LEU 347.A N TYR 328.A O no hydrogen 2.714 N/A VAL 348.A N LEU 385.A O no hydrogen 2.887 N/A LYS 349.A N GLN 326.A O no hydrogen 2.944 N/A PHE 351.A N PHE 383.A O no hydrogen 3.422 N/A TYR 352.A N ARG 323.A O no hydrogen 3.115 N/A TYR 352.A OH LYS 319.A O no hydrogen 2.662 N/A ALA 357.A N MET 407.A O no hydrogen 3.224 N/A GLU 359.A N SER 405.A O no hydrogen 2.963 N/A TRP 360.A NE1 SER 387.A OG no hydrogen 3.122 N/A GLU 361.A N SER 403.A O no hydrogen 2.956 N/A SER 362.A N GLN 365.A O no hydrogen 3.117 N/A SER 362.A OG VAL 401.A O no hydrogen 2.784 N/A GLN 365.A N SER 362.A O no hydrogen 3.110 N/A GLN 365.A NE2 GLY 364.A O no hydrogen 3.653 N/A GLU 367.A N TRP 360.A O no hydrogen 2.902 N/A ASN 369.A ND2 THR 390.A O no hydrogen 3.300 N/A LYS 371.A N ARG 388.A O no hydrogen 3.105 N/A THR 372.A OG1 SER 387.A OG no hydrogen 2.733 N/A THR 373.A N TYR 386.A O no hydrogen 3.057 N/A THR 373.A OG1 PRO 374.A O no hydrogen 3.239 N/A THR 373.A OG1 TYR 386.A O no hydrogen 3.557 N/A VAL 376.A N PHE 384.A O no hydrogen 2.826 N/A ASP 378.A N SER 382.A O no hydrogen 2.781 N/A GLY 381.A N ASP 378.A O no hydrogen 2.963 N/A SER 382.A N ASP 380.A OD1 no hydrogen 3.200 N/A SER 382.A OG ASP 380.A OD1 no hydrogen 2.691 N/A SER 382.A OG ASP 380.A OD2 no hydrogen 3.255 N/A PHE 383.A N PHE 351.A O no hydrogen 2.759 N/A PHE 384.A N VAL 376.A O no hydrogen 3.123 N/A LEU 385.A N VAL 348.A O no hydrogen 2.767 N/A TYR 386.A N THR 373.A OG1 no hydrogen 3.362 N/A SER 387.A N CYS 346.A O no hydrogen 2.803 N/A SER 387.A OG THR 372.A OG1 no hydrogen 2.733 N/A ARG 388.A N LYS 371.A O no hydrogen 2.920 N/A ARG 388.A NE SER 343.A OG no hydrogen 3.210 N/A LEU 389.A N LEU 344.A O no hydrogen 2.728 N/A THR 390.A N ASN 369.A O no hydrogen 2.985 N/A VAL 391.A N VAL 342.A O no hydrogen 2.943 N/A LYS 393.A N ASN 340.A O no hydrogen 2.936 N/A LYS 393.A NZ MET 337.A O no hydrogen 2.929 N/A GLN 397.A N LYS 393.A O no hydrogen 3.020 N/A GLN 398.A N SER 394.A O no hydrogen 3.187 N/A GLY 399.A N TRP 396.A O no hydrogen 3.245 N/A PHE 402.A N LEU 420.A O no hydrogen 2.924 N/A SER 403.A N GLU 361.A O no hydrogen 2.759 N/A SER 403.A OG GLN 417.A OE1 no hydrogen 3.266 N/A SER 403.A OG SER 419.A OG no hydrogen 2.720 N/A CYS 404.A N LYS 418.A O no hydrogen 2.929 N/A SER 405.A N GLU 359.A O no hydrogen 2.869 N/A SER 405.A OG GLU 359.A O no hydrogen 3.338 N/A VAL 406.A N THR 416.A O no hydrogen 2.830 N/A MET 407.A N ALA 357.A O no hydrogen 2.936 N/A HIS 408.A N HIS 414.A O no hydrogen 3.278 N/A HIS 408.A NE2 PRO 353.A O no hydrogen 2.900 N/A ALA 410.A N HIS 408.A ND1 no hydrogen 3.160 N/A LEU 411.A N HIS 408.A O no hydrogen 3.134 N/A HIS 414.A N LEU 411.A O no hydrogen 3.001 N/A HIS 414.A ND1 LEU 230.A O no hydrogen 2.923 N/A THR 416.A N VAL 406.A O no hydrogen 2.922 N/A GLN 417.A NE2 TYR 415.A OH no hydrogen 2.883 N/A LYS 418.A N CYS 404.A O no hydrogen 3.038 N/A LYS 418.A NZ VAL 327.A O no hydrogen 2.815 N/A SER 419.A OG SER 403.A OG no hydrogen 2.720 N/A LEU 420.A N PHE 402.A O no hydrogen 2.721 N/A SER 421.A OG ASN 400.A O no hydrogen 3.407 N/A SER 421.A OG LEU 420.A O no hydrogen 3.406 N/A