Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7qre_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG THR 32.A OG1 no hydrogen 3.499 N/A THR 4.A N SER 1.A O no hydrogen 3.014 N/A THR 4.A OG1 SER 1.A O no hydrogen 3.386 N/A HIS 5.A N ARG 2.A O no hydrogen 3.309 N/A HIS 5.A ND1 SER 1.A O no hydrogen 2.939 N/A LEU 6.A N CYS 3.A O no hydrogen 3.404 N/A ARG 9.A NE THR 32.A OG1 no hydrogen 3.220 N/A ARG 9.A NH1 GLU 373.A OE2 no hydrogen 2.886 N/A ARG 9.A NH2 THR 32.A OG1 no hydrogen 2.971 N/A ARG 9.A NH2 GLU 373.A OE1 no hydrogen 3.046 N/A ASP 10.A N CYS 30.A O no hydrogen 2.969 N/A VAL 12.A N THR 32.A O no hydrogen 3.032 N/A GLY 14.A N THR 34.A O no hydrogen 2.803 N/A THR 15.A N THR 18.A OG1 no hydrogen 3.005 N/A THR 18.A N THR 15.A O no hydrogen 3.061 N/A THR 18.A OG1 THR 15.A O no hydrogen 3.354 N/A THR 19.A OG1 GLY 17.A O no hydrogen 3.521 N/A ARG 20.A NH1 GLU 291.A OE1 no hydrogen 3.102 N/A VAL 21.A N VAL 292.A O no hydrogen 2.907 N/A LEU 23.A N CYS 290.A O no hydrogen 2.817 N/A LEU 25.A N VAL 288.A O no hydrogen 2.935 N/A LEU 27.A N GLY 286.A O no hydrogen 3.051 N/A GLY 29.A N GLU 26.A O no hydrogen 3.365 N/A CYS 30.A N ASN 8.A O no hydrogen 3.041 N/A CYS 30.A SG CYS 3.A O no hydrogen 3.378 N/A VAL 31.A N VAL 43.A O no hydrogen 3.010 N/A THR 32.A N ASP 10.A O no hydrogen 2.868 N/A THR 32.A OG1 ASP 42.A OD1 no hydrogen 2.918 N/A ILE 33.A N MET 41.A O no hydrogen 2.904 N/A THR 34.A N VAL 12.A O no hydrogen 2.890 N/A THR 34.A OG1 SER 40.A OG no hydrogen 3.103 N/A LYS 38.A N ALA 35.A O no hydrogen 3.105 N/A LYS 38.A NZ LEU 297.A O no hydrogen 2.963 N/A SER 40.A OG THR 34.A OG1 no hydrogen 3.103 N/A SER 40.A OG ILE 358.A O no hydrogen 2.641 N/A MET 41.A N ILE 33.A O no hydrogen 3.063 N/A ASP 42.A N GLU 144.A O no hydrogen 2.825 N/A VAL 43.A N VAL 31.A O no hydrogen 2.879 N/A TRP 44.A N LYS 142.A O no hydrogen 2.950 N/A ASP 46.A N THR 140.A O no hydrogen 2.811 N/A ALA 47.A N THR 140.A O no hydrogen 3.342 N/A TYR 49.A N VAL 138.A O no hydrogen 2.864 N/A GLN 50.A N TYR 281.A O no hydrogen 3.127 N/A ASN 52.A N THR 279.A O no hydrogen 3.161 N/A LYS 55.A NZ GLU 230.A OE1 no hydrogen 2.895 N/A THR 56.A N GLY 129.A O no hydrogen 2.976 N/A THR 56.A OG1 ARG 57.A O no hydrogen 3.225 N/A GLU 58.A N LYS 228.A O no hydrogen 2.721 N/A TYR 59.A N ALA 127.A O no hydrogen 2.923 N/A TYR 59.A OH PHE 220.A O no hydrogen 2.655 N/A CYS 60.A N PRO 226.A O no hydrogen 2.955 N/A CYS 60.A SG HIS 62.A O no hydrogen 3.327 N/A LEU 61.A N LYS 125.A O no hydrogen 2.827 N/A LYS 64.A N ALA 120.A O no hydrogen 3.057 N/A SER 66.A N LYS 118.A O no hydrogen 3.022 N/A SER 66.A OG LYS 118.A O no hydrogen 3.470 N/A LYS 69.A N CYS 116.A O no hydrogen 2.935 N/A LYS 69.A NZ GLU 84.A OE2 no hydrogen 3.296 N/A ALA 71.A N VAL 114.A O no hydrogen 2.774 N/A ARG 73.A N SER 112.A O no hydrogen 2.812 N/A ARG 73.A NE MET 77.A O no hydrogen 3.055 N/A ARG 73.A NH2 MET 77.A O no hydrogen 3.166 N/A CYS 74.A SG HIS 104.A O no hydrogen 3.529 N/A THR 76.A OG1 PRO 75.A O no hydrogen 2.659 N/A MET 77.A N CYS 74.A O no hydrogen 2.953 N/A ALA 80.A N SER 112.A OG no hydrogen 3.261 N/A GLU 85.A N LEU 82.A O no hydrogen 3.299 N/A HIS 86.A N ALA 83.A O no hydrogen 3.340 N/A THR 90.A OG1 GLU 84.A O no hydrogen 2.639 N/A THR 90.A OG1 GLN 87.A O no hydrogen 2.904 N/A VAL 91.A N VAL 117.A O no hydrogen 3.058 N/A LYS 93.A N ALA 115.A O no hydrogen 2.982 N/A ARG 94.A NE GLU 85.A OE1 no hydrogen 3.391 N/A ASP 95.A N ILE 113.A O no hydrogen 2.808 N/A GLN 96.A N ASP 95.A OD1 no hydrogen 2.819 N/A SER 97.A N GLY 111.A O no hydrogen 2.889 N/A SER 97.A OG ALA 249.A O no hydrogen 2.748 N/A ARG 99.A N GLY 109.A O no hydrogen 2.847 N/A ARG 99.A NE ASN 103.A OD1 no hydrogen 2.961 N/A ARG 99.A NH2 ASN 103.A O no hydrogen 2.973 N/A GLY 100.A N ASN 103.A OD1 no hydrogen 2.749 N/A TRP 101.A NE1 GLY 106.A O no hydrogen 3.144 N/A ASN 103.A N GLY 100.A O no hydrogen 3.275 N/A CYS 105.A N GLY 100.A O no hydrogen 2.896 N/A CYS 105.A SG ASN 103.A O no hydrogen 4.021 N/A GLY 109.A N ARG 99.A O no hydrogen 3.138 N/A GLY 111.A N SER 97.A O no hydrogen 2.786 N/A ILE 113.A N ASP 95.A O no hydrogen 2.937 N/A VAL 114.A N ALA 71.A O no hydrogen 2.787 N/A ALA 115.A N LYS 93.A O no hydrogen 3.087 N/A CYS 116.A N LYS 69.A O no hydrogen 2.867 N/A VAL 117.A N VAL 91.A O no hydrogen 2.944 N/A LYS 118.A N SER 66.A O no hydrogen 2.747 N/A LYS 118.A NZ ASP 67.A OD2 no hydrogen 3.273 N/A ALA 119.A N GLY 89.A O no hydrogen 3.052 N/A ALA 120.A N LYS 64.A O no hydrogen 3.022 N/A CYS 121.A SG HIS 62.A O no hydrogen 3.635 N/A CYS 121.A SG LYS 125.A O no hydrogen 3.779 N/A GLU 122.A N HIS 62.A O no hydrogen 3.012 N/A LYS 125.A N GLU 122.A O no hydrogen 3.352 N/A LYS 125.A NZ ASP 259.A OD2 no hydrogen 2.817 N/A LYS 126.A NZ GLU 122.A O no hydrogen 3.538 N/A ALA 127.A N TYR 59.A O no hydrogen 3.072 N/A THR 128.A N GLU 201.A O no hydrogen 2.952 N/A THR 128.A OG1 GLU 201.A OE1 no hydrogen 3.507 N/A HIS 130.A N ILE 199.A O no hydrogen 3.117 N/A VAL 131.A N ALA 54.A O no hydrogen 2.995 N/A TYR 132.A N THR 197.A O no hydrogen 3.462 N/A ASP 133.A N GLN 50.A OE1 no hydrogen 2.874 N/A ASN 135.A N ASP 133.A OD1 no hydrogen 3.138 N/A LYS 136.A N ASP 133.A O no hydrogen 2.800 N/A ILE 137.A N ASP 133.A O no hydrogen 3.021 N/A VAL 138.A N TYR 49.A O no hydrogen 2.786 N/A TYR 139.A N PHE 165.A O no hydrogen 2.992 N/A TYR 139.A OH CYS 186.A O no hydrogen 2.655 N/A THR 140.A N ALA 47.A O no hydrogen 2.904 N/A VAL 141.A N ALA 163.A O no hydrogen 2.867 N/A LYS 142.A N TRP 44.A O no hydrogen 2.842 N/A VAL 143.A N LYS 161.A O no hydrogen 2.917 N/A GLU 144.A N ASP 42.A O no hydrogen 3.153 N/A HIS 146.A N SER 40.A O no hydrogen 2.701 N/A HIS 146.A ND1 ASP 42.A OD2 no hydrogen 2.802 N/A HIS 146.A NE2 GLU 373.A OE1 no hydrogen 2.690 N/A TYR 150.A OH GLU 155.A OE2 no hydrogen 3.252 N/A VAL 151.A N THR 156.A O no hydrogen 3.228 N/A THR 156.A N VAL 151.A O no hydrogen 3.288 N/A THR 156.A OG1 ASN 154.A OD1 no hydrogen 2.723 N/A SER 158.A OG ASP 149.A O no hydrogen 2.715 N/A ARG 160.A NE GLU 144.A OE1 no hydrogen 3.234 N/A ARG 160.A NH2 GLU 144.A OE1 no hydrogen 3.248 N/A LYS 161.A N VAL 143.A O no hydrogen 2.803 N/A LYS 161.A NZ THR 175.A O no hydrogen 2.807 N/A ALA 163.A N VAL 141.A O no hydrogen 2.883 N/A PHE 165.A N TYR 139.A O no hydrogen 2.804 N/A THR 166.A N SER 169.A O no hydrogen 2.920 N/A THR 172.A N LEU 184.A O no hydrogen 2.922 N/A LEU 174.A N VAL 182.A O no hydrogen 2.888 N/A THR 175.A OG1 ASP 181.A OD2 no hydrogen 2.935 N/A MET 176.A N GLY 180.A O no hydrogen 2.787 N/A TYR 179.A N MET 176.A O no hydrogen 3.232 N/A GLY 180.A N GLY 177.A O no hydrogen 3.477 N/A ASP 181.A N LYS 296.A O no hydrogen 2.772 N/A VAL 182.A N LEU 174.A O no hydrogen 3.020 N/A SER 183.A N GLY 293.A O no hydrogen 3.159 N/A LEU 184.A N THR 172.A O no hydrogen 2.790 N/A LEU 185.A N GLU 291.A O no hydrogen 3.189 N/A CYS 186.A N GLU 170.A O no hydrogen 2.911 N/A ARG 187.A N THR 289.A O no hydrogen 2.849 N/A ALA 189.A N HIS 287.A O no hydrogen 3.431 N/A SER 190.A OG VAL 192.A O no hydrogen 2.732 N/A GLN 196.A N ASP 193.A O no hydrogen 2.802 N/A GLN 196.A NE2 ASP 218.A OD1 no hydrogen 3.364 N/A THR 197.A N LEU 194.A O no hydrogen 3.031 N/A THR 197.A OG1 ASP 193.A O no hydrogen 3.094 N/A VAL 198.A N VAL 215.A O no hydrogen 2.923 N/A ILE 199.A N HIS 130.A O no hydrogen 2.926 N/A LEU 200.A N TRP 213.A O no hydrogen 2.861 N/A GLU 201.A N THR 128.A O no hydrogen 3.024 N/A ASP 203.A N LYS 126.A O no hydrogen 3.104 N/A TRP 213.A N LEU 200.A O no hydrogen 2.975 N/A GLN 214.A N PRO 272.A O no hydrogen 3.048 N/A VAL 215.A N VAL 198.A O no hydrogen 2.936 N/A ARG 217.A N GLN 196.A O no hydrogen 2.861 N/A ARG 217.A NH1 ALA 195.A O no hydrogen 2.904 N/A PHE 220.A N HIS 216.A O no hydrogen 3.144 N/A ASN 221.A N ARG 217.A O no hydrogen 3.022 N/A ASP 222.A N TRP 219.A O no hydrogen 2.800 N/A LEU 223.A N PHE 220.A O no hydrogen 3.520 N/A TRP 227.A N ASN 236.A O no hydrogen 2.834 N/A TRP 227.A NE1 ASN 237.A OD1 no hydrogen 2.791 N/A LYS 228.A N GLU 58.A O no hydrogen 2.948 N/A LYS 228.A NZ ALA 232.A O no hydrogen 3.338 N/A ALA 232.A N HIS 229.A O no hydrogen 2.979 N/A ASN 236.A N TRP 227.A O no hydrogen 2.771 N/A ASN 237.A ND2 GLU 239.A OE2 no hydrogen 2.932 N/A ARG 240.A N ASN 237.A O no hydrogen 3.170 N/A ARG 240.A NH1 LEU 225.A O no hydrogen 2.815 N/A LEU 241.A N ALA 238.A O no hydrogen 3.393 N/A GLU 243.A N TYR 255.A O no hydrogen 3.203 N/A GLY 245.A N ASP 253.A O no hydrogen 2.727 N/A HIS 248.A N LYS 251.A O no hydrogen 2.801 N/A VAL 254.A N ASP 253.A OD1 no hydrogen 2.977 N/A TYR 255.A N GLU 243.A O no hydrogen 2.848 N/A ASN 256.A ND2 ALA 63.A O no hydrogen 2.800 N/A LEU 257.A N LEU 241.A O no hydrogen 3.042 N/A GLY 258.A N ASN 256.A OD1 no hydrogen 3.164 N/A GLN 260.A N LEU 61.A O no hydrogen 2.743 N/A GLN 260.A NE2 GLY 258.A O no hydrogen 3.285 N/A THR 261.A N ASP 259.A OD1 no hydrogen 2.890 N/A THR 261.A OG1 ASP 259.A OD1 no hydrogen 2.638 N/A LEU 264.A N GLN 260.A O no hydrogen 2.966 N/A LEU 265.A N THR 261.A O no hydrogen 2.908 N/A LYS 266.A N GLY 262.A O no hydrogen 3.010 N/A ALA 267.A N VAL 263.A O no hydrogen 3.288 N/A LEU 268.A N LEU 264.A O no hydrogen 3.004 N/A ALA 269.A N LYS 266.A O no hydrogen 3.265 N/A VAL 271.A N LEU 268.A O no hydrogen 3.009 N/A ALA 274.A N ALA 212.A O no hydrogen 2.893 N/A GLU 277.A N LYS 280.A O no hydrogen 2.887 N/A THR 279.A OG1 GLU 51.A OE1 no hydrogen 3.045 N/A LYS 280.A N GLU 277.A O no hydrogen 3.438 N/A TYR 281.A N GLN 50.A O no hydrogen 3.031 N/A HIS 282.A N HIS 275.A O no hydrogen 3.040 N/A LEU 283.A N ILE 48.A O no hydrogen 3.005 N/A LYS 284.A N GLN 214.A OE1 no hydrogen 2.811 N/A LYS 284.A NZ HIS 275.A NE2 no hydrogen 3.354 N/A VAL 288.A N LEU 25.A O no hydrogen 2.888 N/A THR 289.A N ARG 187.A O no hydrogen 2.893 N/A CYS 290.A N LEU 23.A O no hydrogen 2.892 N/A GLU 291.A N LEU 185.A O no hydrogen 3.064 N/A VAL 292.A N VAL 21.A O no hydrogen 2.735 N/A GLY 293.A N SER 183.A O no hydrogen 2.860 N/A LEU 294.A N THR 19.A O no hydrogen 2.798 N/A GLU 295.A N GLU 295.A OE1 no hydrogen 2.818 N/A LEU 297.A N LEU 294.A O no hydrogen 2.867 N/A LYS 298.A N TYR 179.A O no hydrogen 2.695 N/A CYS 307.A N ARG 339.A O no hydrogen 2.853 N/A THR 310.A OG1 ASP 308.A OD1 no hydrogen 3.559 N/A THR 310.A OG1 ASP 308.A OD2 no hydrogen 2.772 N/A LYS 311.A N ASP 308.A O no hydrogen 3.272 N/A THR 313.A OG1 THR 331.A O no hydrogen 3.318 N/A TRP 314.A NE1 SER 389.A O no hydrogen 3.119 N/A LYS 315.A N GLU 329.A O no hydrogen 2.894 N/A LYS 315.A NZ GLU 329.A OE2 no hydrogen 3.022 N/A ARG 316.A N.A GLU 329.A O no hydrogen 2.917 N/A ARG 316.A N.B GLU 329.A O no hydrogen 2.924 N/A ARG 316.A NH1.B GLU 329.A OE2 no hydrogen 3.252 N/A THR 319.A N VAL 327.A O no hydrogen 3.006 N/A SER 321.A N THR 325.A O no hydrogen 3.024 N/A SER 321.A OG THR 325.A O no hydrogen 2.891 N/A SER 321.A OG THR 325.A OG1 no hydrogen 2.595 N/A GLY 322.A N ASP 320.A OD2 no hydrogen 3.035 N/A HIS 323.A N SER 321.A OG no hydrogen 3.190 N/A HIS 323.A NE2 LEU 6.A O no hydrogen 2.682 N/A THR 325.A OG1 SER 321.A OG no hydrogen 2.595 N/A THR 325.A OG1 GLU 373.A OE2 no hydrogen 2.635 N/A VAL 326.A N MET 374.A O no hydrogen 2.747 N/A VAL 327.A N THR 319.A O no hydrogen 2.946 N/A MET 328.A N ILE 372.A O no hydrogen 2.946 N/A GLU 329.A N ARG 316.A O.A no hydrogen 2.937 N/A GLU 329.A N ARG 316.A O.B no hydrogen 2.942 N/A VAL 330.A N GLY 370.A O no hydrogen 2.940 N/A THR 331.A N THR 313.A O no hydrogen 2.919 N/A SER 333.A N LYS 311.A O no hydrogen 2.908 N/A SER 333.A OG LYS 311.A O no hydrogen 3.248 N/A LYS 336.A NZ PHE 332.A O no hydrogen 2.795 N/A LYS 336.A NZ GLY 334.A O no hydrogen 2.844 N/A CYS 338.A N ILE 364.A O no hydrogen 3.215 N/A CYS 338.A SG THR 335.A O no hydrogen 4.020 N/A ARG 339.A N THR 305.A O no hydrogen 2.851 N/A ARG 339.A NE TYR 304.A O no hydrogen 2.804 N/A ARG 339.A NH2 TYR 304.A O no hydrogen 3.067 N/A ILE 340.A N PRO 362.A O no hydrogen 2.803 N/A VAL 342.A N ILE 340.A O no hydrogen 3.094 N/A ARG 343.A N TYR 384.A O no hydrogen 2.967 N/A ALA 344.A N ASN 353.A OD1 no hydrogen 3.175 N/A VAL 345.A N ILE 382.A O no hydrogen 2.995 N/A HIS 347.A N ASP 380.A O no hydrogen 3.249 N/A SER 349.A N ALA 346.A O no hydrogen 2.973 N/A VAL 352.A N SER 349.A O no hydrogen 3.274 N/A VAL 354.A N ALA 344.A O no hydrogen 2.968 N/A ALA 355.A N ASN 353.A OD1 no hydrogen 3.391 N/A MET 356.A N GLN 375.A O no hydrogen 3.104 N/A ILE 358.A N GLU 373.A O no hydrogen 2.722 N/A THR 363.A OG1 GLU 365.A OE1 no hydrogen 3.400 N/A ILE 364.A N CYS 338.A O no hydrogen 2.795 N/A GLU 365.A N GLY 368.A O no hydrogen 3.249 N/A ILE 372.A N MET 328.A O no hydrogen 2.926 N/A GLU 373.A N THR 359.A OG1 no hydrogen 3.138 N/A MET 374.A N VAL 326.A O no hydrogen 2.914 N/A GLN 375.A N MET 356.A O no hydrogen 3.000 N/A GLY 379.A N GLN 394.A O no hydrogen 3.006 N/A ASN 381.A N TRP 392.A O no hydrogen 2.925 N/A ASN 381.A ND2 PRO 377.A O no hydrogen 3.247 N/A ASN 381.A ND2 TRP 392.A O no hydrogen 3.626 N/A ILE 382.A N VAL 345.A O no hydrogen 3.027 N/A ILE 383.A N HIS 390.A O no hydrogen 2.760 N/A TYR 384.A N ARG 343.A O no hydrogen 2.765 N/A VAL 385.A N LEU 388.A O no hydrogen 2.736 N/A GLY 386.A N PRO 341.A O no hydrogen 2.862 N/A GLU 387.A N LYS 309.A O no hydrogen 2.962 N/A LEU 388.A N VAL 385.A O no hydrogen 3.252 N/A HIS 390.A N ILE 383.A O no hydrogen 2.854 N/A HIS 390.A ND1 GLN 391.A O no hydrogen 2.945 N/A TRP 392.A N ASN 381.A O no hydrogen 2.807 N/A TRP 392.A NE1 GLN 394.A OE1 no hydrogen 2.773 N/A GLN 394.A N GLY 379.A O no hydrogen 2.804 N/A