Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5i2s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ALA 336.A O no hydrogen 3.463 N/A PHE 2.A N ILE 335.A O no hydrogen 2.961 N/A THR 3.A OG1 ASP 334.A OD1 no hydrogen 2.683 N/A ILE 4.A N VAL 333.A O no hydrogen 2.888 N/A PHE 6.A N ILE 331.A O no hydrogen 2.955 N/A HIS 8.A N ARG 329.A O no hydrogen 2.886 N/A TRP 14.A NE1 ASP 359.A OD2 no hydrogen 2.877 N/A LYS 15.A N TYR 325.A O no hydrogen 2.893 N/A LYS 15.A NZ ASN 13.A O no hydrogen 2.718 N/A ASN 16.A ND2 GLN 411.A OE1 no hydrogen 3.179 N/A CYS 24.A SG HIS 22.A NE2 no hydrogen 3.811 N/A SER 26.A OG GLN 264.A O no hydrogen 2.977 N/A SER 26.A OG GLN 264.A OE1 no hydrogen 3.533 N/A SER 27.A OG ASP 280.A OD2 no hydrogen 2.947 N/A ASP 29.A N ASN 309.A OD1 no hydrogen 2.960 N/A LEU 30.A N SER 28.A OG no hydrogen 3.234 N/A TRP 32.A N ASP 29.A O no hydrogen 3.135 N/A HIS 33.A NE2 LEU 30.A O no hydrogen 3.049 N/A ASN 34.A N ASN 31.A O no hydrogen 2.896 N/A ASN 34.A ND2 TRP 32.A O no hydrogen 3.219 N/A LEU 36.A N HIS 33.A O no hydrogen 2.923 N/A ILE 37.A N SER 190.A O no hydrogen 2.795 N/A THR 39.A N PHE 188.A O no hydrogen 3.002 N/A THR 39.A OG1 PHE 188.A O no hydrogen 3.449 N/A LEU 41.A N ILE 186.A O no hydrogen 2.821 N/A VAL 43.A N MET 184.A O no hydrogen 2.870 N/A LYS 44.A N GLU 238.A O no hydrogen 2.813 N/A MET 45.A N ILE 182.A O no hydrogen 3.019 N/A LYS 50.A N LYS 47.A O no hydrogen 3.364 N/A ALA 54.A N VAL 134.A O no hydrogen 2.854 N/A TRP 57.A N HIS 168.A O no hydrogen 2.913 N/A TRP 57.A NE1 ASP 170.A OD1 no hydrogen 3.166 N/A MET 58.A N THR 130.A O no hydrogen 2.923 N/A CYS 59.A N THR 166.A O no hydrogen 2.801 N/A HIS 60.A N GLN 128.A O no hydrogen 2.980 N/A SER 62.A N ILE 126.A O no hydrogen 2.944 N/A LYS 63.A N ARG 83.A O no hydrogen 2.888 N/A TRP 64.A N ALA 124.A O no hydrogen 2.929 N/A TRP 64.A NE1 SER 62.A OG no hydrogen 3.160 N/A VAL 65.A N SER 81.A O no hydrogen 2.928 N/A THR 66.A N ALA 122.A O no hydrogen 2.831 N/A THR 66.A OG1 PRO 110.A O no hydrogen 3.125 N/A THR 67.A N THR 79.A O no hydrogen 2.882 N/A THR 67.A OG1 ASP 121.A OD1 no hydrogen 2.972 N/A ASP 69.A N TYR 77.A O no hydrogen 2.907 N/A ARG 71.A NE ASP 69.A OD1 no hydrogen 3.204 N/A ARG 71.A NE ASP 69.A OD2 no hydrogen 3.280 N/A ARG 71.A NH1 TYR 73.A OH no hydrogen 3.013 N/A ARG 71.A NH2 ASP 69.A OD1 no hydrogen 3.210 N/A GLY 74.A N ARG 71.A O no hydrogen 3.427 N/A TYR 77.A N ASP 69.A O no hydrogen 2.926 N/A THR 79.A N THR 67.A O no hydrogen 2.966 N/A SER 81.A N VAL 65.A O no hydrogen 2.952 N/A ARG 83.A N LYS 63.A O no hydrogen 2.889 N/A SER 84.A OG ALA 61.A O no hydrogen 3.407 N/A PHE 85.A N ALA 61.A O no hydrogen 2.950 N/A SER 88.A N GLN 91.A OE1 no hydrogen 2.865 N/A GLN 91.A N SER 88.A OG no hydrogen 3.003 N/A CYS 92.A SG SER 88.A O no hydrogen 3.443 N/A LYS 93.A N VAL 89.A O no hydrogen 2.967 N/A LYS 93.A NZ HIS 168.A ND1 no hydrogen 3.355 N/A GLU 94.A N GLU 90.A O no hydrogen 2.915 N/A SER 95.A N GLN 91.A O no hydrogen 2.889 N/A SER 95.A OG GLN 91.A O no hydrogen 3.354 N/A SER 95.A OG VAL 127.A O no hydrogen 2.470 N/A ILE 96.A N CYS 92.A O no hydrogen 2.860 N/A GLU 97.A N LYS 93.A O no hydrogen 2.907 N/A GLN 98.A N GLU 94.A O no hydrogen 2.971 N/A THR 99.A N SER 95.A O no hydrogen 2.932 N/A THR 99.A OG1 SER 95.A O no hydrogen 2.291 N/A LYS 100.A N ILE 96.A O no hydrogen 2.893 N/A LYS 100.A NZ ASP 170.A OD1 no hydrogen 2.942 N/A LYS 100.A NZ ASP 170.A OD2 no hydrogen 3.196 N/A GLN 101.A N GLU 97.A O no hydrogen 2.988 N/A GLY 102.A N THR 99.A O no hydrogen 3.190 N/A THR 103.A OG1 GLN 98.A O no hydrogen 3.513 N/A TRP 104.A NE1 VAL 127.A O no hydrogen 3.142 N/A GLY 108.A N ASN 106.A OD1 no hydrogen 3.442 N/A THR 118.A N GLY 115.A O no hydrogen 3.398 N/A THR 120.A OG1 SER 113.A O no hydrogen 2.824 N/A ALA 122.A N THR 66.A O no hydrogen 2.964 N/A ALA 124.A N TRP 64.A O no hydrogen 2.993 N/A ILE 126.A N SER 62.A O no hydrogen 2.922 N/A GLN 128.A N HIS 60.A O no hydrogen 2.940 N/A THR 130.A N MET 58.A O no hydrogen 2.922 N/A HIS 132.A N GLY 56.A O no hydrogen 2.841 N/A HIS 132.A NE2 ASP 145.A OD2 no hydrogen 3.067 N/A VAL 134.A N ALA 54.A O no hydrogen 2.918 N/A LEU 135.A N VAL 144.A O no hydrogen 2.934 N/A ASP 137.A N GLU 142.A O no hydrogen 2.762 N/A GLU 138.A N GLU 138.A OE1 no hydrogen 2.870 N/A TYR 139.A N ASP 137.A OD2 no hydrogen 3.094 N/A TYR 139.A OH TRP 236.A O no hydrogen 2.352 N/A THR 140.A N ASP 137.A OD2 no hydrogen 3.076 N/A GLY 141.A N ASP 137.A O no hydrogen 2.675 N/A GLU 142.A N THR 140.A OG1 no hydrogen 3.328 N/A TRP 143.A N CYS 153.A O no hydrogen 2.846 N/A TRP 143.A NE1 ASN 155.A O no hydrogen 2.842 N/A VAL 144.A N LEU 135.A O no hydrogen 2.903 N/A ASP 145.A N GLY 151.A O no hydrogen 3.212 N/A SER 146.A N GLU 327.A OE1 no hydrogen 2.920 N/A SER 146.A OG GLU 327.A OE1 no hydrogen 2.229 N/A SER 146.A OG GLU 327.A OE2 no hydrogen 3.003 N/A GLN 147.A N ASP 145.A OD1 no hydrogen 3.037 N/A PHE 148.A N ASP 145.A O no hydrogen 3.070 N/A ILE 149.A N PRO 159.A O no hydrogen 3.037 N/A GLY 151.A N PHE 148.A O no hydrogen 2.717 N/A LYS 152.A NZ GLU 142.A OE1 no hydrogen 3.521 N/A CYS 153.A N TRP 143.A O no hydrogen 2.955 N/A CYS 153.A SG ASN 155.A O no hydrogen 3.953 N/A CYS 153.A SG ILE 157.A O no hydrogen 3.995 N/A CYS 158.A N TRP 167.A O no hydrogen 2.891 N/A CYS 158.A SG ASN 155.A O no hydrogen 3.603 N/A THR 160.A OG1 HIS 162.A O no hydrogen 2.914 N/A THR 160.A OG1 THR 165.A O no hydrogen 2.763 N/A VAL 161.A N GLN 147.A O no hydrogen 2.924 N/A THR 165.A N HIS 162.A O no hydrogen 3.208 N/A THR 166.A N CYS 59.A O no hydrogen 2.974 N/A THR 166.A OG1 CYS 158.A O no hydrogen 3.511 N/A TRP 167.A N CYS 158.A O no hydrogen 2.895 N/A TRP 167.A NE1 HIS 132.A O no hydrogen 2.928 N/A HIS 168.A N TRP 57.A O no hydrogen 2.802 N/A SER 169.A N TYR 156.A O no hydrogen 2.886 N/A SER 169.A OG TYR 156.A O no hydrogen 3.121 N/A ASP 170.A N ASP 55.A O no hydrogen 2.960 N/A SER 179.A OG SER 48.A OG no hydrogen 3.012 N/A SER 179.A OG ASN 180.A O no hydrogen 3.106 N/A ILE 182.A N MET 45.A O no hydrogen 2.897 N/A MET 184.A N VAL 43.A O no hydrogen 2.932 N/A ILE 186.A N LEU 41.A O no hydrogen 2.959 N/A THR 187.A N ARG 206.A O no hydrogen 2.806 N/A PHE 188.A N THR 39.A O no hydrogen 2.869 N/A PHE 189.A N GLY 204.A O no hydrogen 2.814 N/A SER 190.A N ILE 37.A O no hydrogen 2.871 N/A GLU 194.A N SER 190.A OG no hydrogen 3.161 N/A SER 197.A N GLU 194.A O no hydrogen 2.951 N/A SER 197.A OG ASP 192.A OD1 no hydrogen 3.468 N/A SER 197.A OG ASP 192.A OD2 no hydrogen 2.684 N/A LEU 198.A N LEU 195.A O no hydrogen 2.927 N/A LYS 200.A N SER 197.A O no hydrogen 3.246 N/A THR 203.A OG1 LYS 200.A O no hydrogen 2.646 N/A GLY 204.A N PHE 189.A O no hydrogen 2.920 N/A PHE 205.A N GLU 213.A O no hydrogen 2.905 N/A ARG 206.A N THR 187.A O no hydrogen 3.013 N/A SER 207.A N PHE 210.A O no hydrogen 3.492 N/A ASN 208.A ND2 SER 348.A O no hydrogen 2.746 N/A TYR 209.A N SER 207.A OG no hydrogen 2.762 N/A TYR 212.A N ASP 29.A OD2 no hydrogen 2.902 N/A GLU 213.A N PHE 205.A O no hydrogen 2.928 N/A CYS 219.A N ARG 230.A O no hydrogen 3.071 N/A CYS 219.A SG ARG 230.A O no hydrogen 4.036 N/A LYS 220.A N PRO 251.A O no hydrogen 2.794 N/A MET 221.A N GLY 228.A O no hydrogen 2.945 N/A TYR 223.A N HIS 226.A O no hydrogen 2.853 N/A TYR 223.A OH TYR 139.A O no hydrogen 2.780 N/A HIS 226.A N TYR 223.A O no hydrogen 2.931 N/A GLY 228.A N MET 221.A O no hydrogen 2.914 N/A VAL 229.A N PHE 237.A O no hydrogen 2.796 N/A ARG 230.A N CYS 219.A O no hydrogen 2.791 N/A ARG 230.A NH1 SER 258.A O no hydrogen 2.417 N/A LEU 231.A N VAL 235.A O no hydrogen 2.848 N/A SER 233.A N GLU 213.A OE1 no hydrogen 2.445 N/A SER 233.A OG GLU 213.A OE1 no hydrogen 3.145 N/A SER 233.A OG GLU 213.A OE2 no hydrogen 2.764 N/A GLY 234.A N LEU 231.A O no hydrogen 3.018 N/A TRP 236.A N TYR 139.A OH no hydrogen 3.172 N/A TRP 236.A NE1 MET 221.A O no hydrogen 2.954 N/A PHE 237.A N VAL 229.A O no hydrogen 2.932 N/A GLU 238.A N LYS 44.A O no hydrogen 2.936 N/A ALA 240.A N GLN 42.A O no hydrogen 2.965 N/A LYS 242.A NZ ALA 240.A O no hydrogen 3.252 N/A LEU 244.A N ASP 241.A OD2 no hydrogen 3.257 N/A PHE 245.A N ASP 241.A O no hydrogen 2.904 N/A ALA 246.A N LYS 242.A O no hydrogen 2.955 N/A ALA 247.A N ASP 243.A O no hydrogen 2.894 N/A ALA 248.A N LEU 244.A O no hydrogen 2.917 N/A ARG 249.A N ALA 246.A O no hydrogen 3.087 N/A ARG 249.A NH1 ALA 247.A O no hydrogen 3.296 N/A CYS 253.A N LYS 220.A O no hydrogen 2.837 N/A SER 257.A N PRO 254.A O no hydrogen 3.226 N/A SER 257.A OG PRO 254.A O no hydrogen 3.003 N/A SER 260.A N GLY 234.A O no hydrogen 3.013 N/A ALA 261.A N ASP 137.A OD1 no hydrogen 2.800 N/A SER 263.A N SER 266.A OG no hydrogen 2.857 N/A SER 263.A OG THR 265.A OG1 no hydrogen 3.038 N/A GLN 264.A NE2 ASN 309.A O no hydrogen 2.931 N/A GLN 264.A NE2 THR 312.A O no hydrogen 3.291 N/A THR 265.A N SER 263.A OG no hydrogen 2.942 N/A THR 265.A OG1 SER 263.A OG no hydrogen 3.038 N/A SER 266.A N SER 263.A OG no hydrogen 3.227 N/A SER 266.A OG SER 263.A O no hydrogen 3.123 N/A SER 270.A N ASP 268.A OD1 no hydrogen 3.143 N/A SER 270.A OG ASP 268.A OD1 no hydrogen 2.268 N/A LEU 271.A N ASP 268.A O no hydrogen 2.960 N/A ILE 272.A N VAL 269.A O no hydrogen 2.950 N/A ARG 277.A N GLN 273.A O no hydrogen 2.899 N/A ARG 277.A NH1 ASP 274.A OD1 no hydrogen 2.561 N/A ILE 278.A N ASP 274.A O no hydrogen 2.930 N/A LEU 279.A N VAL 275.A O no hydrogen 2.914 N/A ASP 280.A N GLU 276.A O no hydrogen 2.946 N/A TYR 281.A N ARG 277.A O no hydrogen 2.935 N/A SER 282.A N ILE 278.A O no hydrogen 2.805 N/A LEU 283.A N LEU 279.A O no hydrogen 2.995 N/A CYS 284.A N ASP 280.A O no hydrogen 3.036 N/A CYS 284.A SG TYR 23.A O no hydrogen 3.515 N/A GLN 285.A N TYR 281.A O no hydrogen 2.787 N/A GLU 286.A N SER 282.A O no hydrogen 2.900 N/A THR 287.A N LEU 283.A O no hydrogen 3.047 N/A THR 287.A OG1 CYS 284.A O no hydrogen 3.552 N/A THR 287.A OG1 ASP 301.A O no hydrogen 2.987 N/A TRP 288.A N CYS 284.A O no hydrogen 2.966 N/A TRP 288.A NE1 TYR 23.A O no hydrogen 2.863 N/A SER 289.A N GLN 285.A O no hydrogen 2.850 N/A LYS 290.A N GLU 286.A O no hydrogen 2.937 N/A LYS 290.A NZ ASP 301.A OD1 no hydrogen 3.269 N/A ILE 291.A N THR 287.A O no hydrogen 2.904 N/A ARG 292.A N TRP 288.A O no hydrogen 2.904 N/A ARG 292.A NH2 PRO 18.A O no hydrogen 2.926 N/A ARG 292.A NH2 TYR 21.A O no hydrogen 3.260 N/A ALA 293.A N SER 289.A O no hydrogen 2.972 N/A ILE 297.A N SER 400.A O no hydrogen 2.728 N/A SER 298.A N ASP 301.A OD2 no hydrogen 2.912 N/A ASP 301.A N SER 298.A OG no hydrogen 3.281 N/A LEU 302.A N SER 298.A O no hydrogen 2.996 N/A SER 303.A N PRO 299.A O no hydrogen 2.984 N/A SER 303.A OG PRO 299.A O no hydrogen 3.164 N/A SER 303.A OG VAL 300.A O no hydrogen 2.715 N/A TYR 304.A N VAL 300.A O no hydrogen 3.470 N/A LEU 305.A N LEU 302.A O no hydrogen 2.820 N/A ALA 306.A N SER 303.A O no hydrogen 2.937 N/A ASN 309.A ND2 SER 26.A OG no hydrogen 3.100 N/A ASN 309.A ND2 SER 27.A O no hydrogen 2.772 N/A GLY 311.A N TYR 330.A O no hydrogen 2.975 N/A THR 312.A N PRO 262.A O no hydrogen 3.037 N/A GLY 313.A N THR 328.A O no hydrogen 2.872 N/A ALA 315.A N PHE 326.A O no hydrogen 2.869 N/A PHE 316.A N ASN 371.A OD1 no hydrogen 3.110 N/A THR 317.A N LYS 324.A O no hydrogen 2.955 N/A THR 317.A OG1 GLY 369.A O no hydrogen 2.698 N/A ILE 319.A N THR 322.A O no hydrogen 2.988 N/A THR 322.A N ILE 319.A O no hydrogen 2.899 N/A LEU 323.A N GLN 403.A O no hydrogen 3.134 N/A LYS 324.A N THR 317.A O no hydrogen 2.870 N/A LYS 324.A NZ ASN 16.A OD1 no hydrogen 2.848 N/A TYR 325.A N LYS 15.A O no hydrogen 2.881 N/A TYR 325.A OH HIS 132.A NE2 no hydrogen 3.353 N/A TYR 325.A OH ASP 145.A OD1 no hydrogen 2.391 N/A TYR 325.A OH ASP 145.A OD2 no hydrogen 3.113 N/A TYR 325.A OH GLN 147.A OE1 no hydrogen 2.995 N/A PHE 326.A N ALA 315.A O no hydrogen 2.923 N/A THR 328.A N GLY 313.A O no hydrogen 2.930 N/A THR 328.A OG1 ASN 9.A OD1 no hydrogen 2.782 N/A ARG 329.A N THR 328.A OG1 no hydrogen 2.731 N/A ARG 329.A NH2 VAL 136.A O no hydrogen 2.684 N/A ARG 329.A NH2 GLU 138.A OE1 no hydrogen 2.678 N/A TYR 330.A N GLY 311.A O no hydrogen 2.844 N/A TYR 330.A OH PRO 314.A O no hydrogen 2.503 N/A ILE 331.A N PHE 6.A O no hydrogen 2.904 N/A ARG 332.A N ASN 208.A O no hydrogen 2.987 N/A ARG 332.A NH1 SER 207.A O no hydrogen 2.135 N/A ARG 332.A NH2 ASP 29.A OD1 no hydrogen 3.187 N/A VAL 333.A N ILE 4.A O no hydrogen 2.919 N/A ASP 334.A N MET 346.A O no hydrogen 2.667 N/A ILE 335.A N PHE 2.A O no hydrogen 2.915 N/A LEU 340.A N TYR 380.A O no hydrogen 2.934 N/A ARG 342.A NH1 GLU 353.A OE2 no hydrogen 2.724 N/A ARG 342.A NH2 GLU 353.A OE2 no hydrogen 2.844 N/A GLY 345.A N ARG 354.A O no hydrogen 2.973 N/A MET 346.A N ASP 334.A O no hydrogen 2.980 N/A ILE 347.A N THR 352.A O no hydrogen 3.319 N/A SER 348.A N ARG 332.A O no hydrogen 3.140 N/A SER 348.A OG ASP 334.A OD1 no hydrogen 2.932 N/A GLY 349.A N ASP 334.A OD2 no hydrogen 3.153 N/A THR 350.A N ILE 347.A O no hydrogen 2.966 N/A THR 350.A OG1 ILE 347.A O no hydrogen 2.502 N/A ARG 354.A NH1 HIS 8.A O no hydrogen 3.450 N/A ARG 354.A NH2 HIS 8.A O no hydrogen 2.662 N/A LEU 356.A N MET 343.A O no hydrogen 3.061 N/A TRP 357.A NE1 ASP 359.A O no hydrogen 3.169 N/A ASP 358.A N GLN 10.A O no hydrogen 3.250 N/A ALA 361.A N ILE 368.A O no hydrogen 2.962 N/A TYR 363.A N VAL 366.A O no hydrogen 2.832 N/A TYR 363.A OH ILE 297.A O no hydrogen 3.245 N/A TYR 363.A OH LEU 398.A O no hydrogen 3.239 N/A VAL 366.A N TYR 363.A O no hydrogen 2.958 N/A GLU 367.A N ARG 375.A O no hydrogen 2.984 N/A ILE 368.A N ALA 361.A O no hydrogen 2.920 N/A GLY 369.A N VAL 373.A O no hydrogen 2.775 N/A ASN 371.A N PHE 316.A O no hydrogen 2.623 N/A ASN 371.A ND2 TYR 330.A OH no hydrogen 3.030 N/A VAL 373.A N PRO 370.A O no hydrogen 3.078 N/A LEU 374.A N LYS 381.A O no hydrogen 2.892 N/A ARG 375.A N GLU 367.A O no hydrogen 2.833 N/A ARG 375.A NH1 GLU 367.A OE1 no hydrogen 3.002 N/A THR 376.A N GLY 379.A O no hydrogen 2.932 N/A THR 376.A OG1 SER 378.A OG no hydrogen 3.131 N/A THR 376.A OG1 GLY 379.A O no hydrogen 2.772 N/A SER 378.A N THR 376.A OG1 no hydrogen 3.132 N/A SER 378.A OG THR 376.A OG1 no hydrogen 3.131 N/A GLY 379.A N THR 376.A O no hydrogen 2.933 N/A TYR 380.A N LEU 340.A O no hydrogen 2.857 N/A LYS 381.A N LEU 374.A O no hydrogen 2.866 N/A LYS 381.A NZ SER 378.A OG no hydrogen 2.674 N/A LYS 381.A NZ ASP 393.A OD1 no hydrogen 2.972 N/A LYS 381.A NZ ASP 393.A OD2 no hydrogen 2.855 N/A LYS 381.A NZ ASP 395.A OD2 no hydrogen 2.559 N/A PHE 382.A N PRO 338.A O no hydrogen 3.057 N/A TYR 385.A N PHE 382.A O no hydrogen 3.119 N/A MET 386.A N PHE 382.A O no hydrogen 3.059 N/A MET 386.A N PRO 383.A O no hydrogen 2.877 N/A ILE 387.A N PRO 383.A O no hydrogen 2.995 N/A ASP 395.A N ASP 393.A OD1 no hydrogen 2.864 N/A LEU 396.A N ASP 393.A O no hydrogen 2.755 N/A HIS 397.A N SER 394.A O no hydrogen 3.325 N/A SER 400.A N TYR 363.A OH no hydrogen 3.405 N/A SER 400.A OG LYS 401.A O no hydrogen 2.680 N/A GLN 403.A N GLY 321.A O no hydrogen 2.955 N/A GLU 406.A N GLU 406.A OE2 no hydrogen 2.819 N/A ILE 410.A N HIS 407.A O no hydrogen 2.960 N/A ASP 412.A N HIS 409.A O no hydrogen 2.960 N/A