Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kij_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N GLU 9.A OE1 no hydrogen 3.194 N/A GLU 9.A N LYS 6.A O no hydrogen 3.342 N/A VAL 11.A N LEU 8.A O no hydrogen 3.006 N/A ARG 12.A N LEU 8.A O no hydrogen 3.413 N/A ARG 12.A NH1 ALA 116.A O no hydrogen 2.963 N/A ARG 12.A NH1 ASP 165.A OD1 no hydrogen 2.786 N/A ARG 12.A NH2 ASP 165.A OD1 no hydrogen 2.880 N/A HIS 13.A N GLU 9.A O no hydrogen 2.998 N/A ARG 14.A N GLY 10.A O no hydrogen 2.988 N/A MET 17.A N ARG 14.A O no hydrogen 3.295 N/A TYR 18.A N PRO 15.A O no hydrogen 2.806 N/A ILE 19.A N PRO 15.A O no hydrogen 2.915 N/A GLY 20.A N ALA 16.A O no hydrogen 2.730 N/A TYR 27.A N GLY 23.A O no hydrogen 3.010 N/A HIS 28.A N VAL 24.A O no hydrogen 3.163 N/A HIS 29.A N GLU 25.A O no hydrogen 3.128 N/A HIS 29.A N GLY 26.A O no hydrogen 3.011 N/A LEU 30.A N TYR 27.A O no hydrogen 3.228 N/A LYS 32.A N HIS 28.A O no hydrogen 2.850 N/A GLU 33.A N HIS 29.A O no hydrogen 2.900 N/A ILE 34.A N LEU 30.A O no hydrogen 3.284 N/A LEU 35.A N PHE 31.A O no hydrogen 2.996 N/A ASP 36.A N LYS 32.A O no hydrogen 2.900 N/A ASN 37.A N GLU 33.A O no hydrogen 3.032 N/A ASN 37.A ND2 GLU 33.A OE2 no hydrogen 3.546 N/A ASN 37.A ND2 VAL 109.A O no hydrogen 3.293 N/A ALA 38.A N ILE 34.A O no hydrogen 3.301 N/A VAL 39.A N LEU 35.A O no hydrogen 2.862 N/A ASP 40.A N ASP 36.A O no hydrogen 2.901 N/A GLU 41.A N ALA 38.A O no hydrogen 2.911 N/A LEU 43.A N VAL 39.A O no hydrogen 2.870 N/A ALA 44.A N ASP 40.A O no hydrogen 2.961 N/A GLY 45.A N ALA 42.A O no hydrogen 2.942 N/A TYR 46.A N GLU 41.A O no hydrogen 2.977 N/A THR 48.A N ASN 65.A OD1 no hydrogen 2.864 N/A GLU 49.A N ASN 65.A OD1 no hydrogen 3.186 N/A ILE 50.A N LYS 194.A O no hydrogen 2.811 N/A LEU 51.A N GLU 63.A O no hydrogen 2.756 N/A VAL 52.A N VAL 196.A O no hydrogen 2.753 N/A ARG 53.A N THR 61.A O no hydrogen 2.830 N/A ARG 53.A NH1 ASN 55.A OD1 no hydrogen 3.233 N/A LEU 54.A N GLN 198.A O no hydrogen 2.829 N/A ASN 55.A N SER 59.A O no hydrogen 2.860 N/A ASN 55.A ND2 SER 59.A O no hydrogen 3.098 N/A ASN 55.A ND2 SER 59.A OG no hydrogen 2.738 N/A ASN 55.A ND2 THR 61.A OG1 no hydrogen 3.003 N/A GLY 58.A N ASN 55.A O no hydrogen 2.878 N/A LEU 60.A N PHE 162.A O no hydrogen 2.853 N/A THR 61.A N ARG 53.A O no hydrogen 2.855 N/A THR 61.A OG1 THR 161.A OG1 no hydrogen 3.033 N/A VAL 62.A N VAL 160.A O no hydrogen 2.785 N/A GLU 63.A N LEU 51.A O no hydrogen 2.868 N/A ASP 64.A N THR 158.A O no hydrogen 2.881 N/A ASN 65.A ND2 THR 48.A OG1 no hydrogen 2.933 N/A GLY 66.A N ASP 64.A OD1 no hydrogen 2.764 N/A ARG 67.A N GLU 41.A OE1 no hydrogen 2.981 N/A ARG 67.A NE GLU 41.A OE1 no hydrogen 2.966 N/A ARG 67.A NH2 GLU 41.A OE2 no hydrogen 2.957 N/A ILE 69.A N THR 158.A OG1 no hydrogen 2.973 N/A MET 74.A N LYS 79.A O no hydrogen 2.930 N/A GLU 77.A N MET 74.A O no hydrogen 2.887 N/A GLY 78.A N MET 74.A O no hydrogen 2.792 N/A ALA 81.A N ASP 72.A O no hydrogen 2.917 N/A VAL 84.A N PRO 80.A O no hydrogen 3.277 N/A ILE 85.A N ALA 81.A O no hydrogen 2.998 N/A TYR 86.A N VAL 82.A O no hydrogen 3.148 N/A ASN 87.A N GLU 83.A O no hydrogen 2.903 N/A ASN 87.A N VAL 84.A O no hydrogen 3.186 N/A THR 88.A N VAL 84.A O no hydrogen 3.011 N/A THR 88.A OG1 VAL 84.A O no hydrogen 3.566 N/A GLY 93.A N GLU 96.A OE1 no hydrogen 3.007 N/A GLU 96.A N GLY 93.A O no hydrogen 3.179 N/A GLN 97.A N LYS 94.A O no hydrogen 2.931 N/A GLY 98.A N PHE 95.A O no hydrogen 3.414 N/A TYR 100.A OH GLU 241.A O no hydrogen 2.656 N/A VAL 102.A N ASP 40.A OD1 no hydrogen 2.919 N/A SER 103.A N ASN 263.A O no hydrogen 2.960 N/A LEU 106.A N GLU 33.A OE1 no hydrogen 2.785 N/A GLY 110.A N HIS 107.A O no hydrogen 2.981 N/A SER 112.A OG THR 88.A O no hydrogen 2.752 N/A VAL 113.A N GLY 110.A O no hydrogen 3.193 N/A VAL 114.A N GLY 110.A O no hydrogen 3.322 N/A ASN 115.A N ALA 111.A O no hydrogen 3.038 N/A ASN 115.A ND2 TYR 86.A O no hydrogen 2.863 N/A ALA 116.A N SER 112.A O no hydrogen 2.959 N/A LEU 117.A N VAL 113.A O no hydrogen 3.065 N/A SER 118.A N ASN 115.A O no hydrogen 3.082 N/A SER 118.A OG VAL 114.A O no hydrogen 2.653 N/A GLU 119.A N LYS 163.A O no hydrogen 3.000 N/A THR 121.A N PHE 136.A O no hydrogen 2.995 N/A VAL 122.A N THR 161.A O no hydrogen 2.672 N/A VAL 123.A N ILE 134.A O no hydrogen 2.970 N/A GLU 124.A N ARG 159.A O no hydrogen 2.778 N/A VAL 125.A N HIS 132.A O no hydrogen 2.938 N/A PHE 126.A N GLY 157.A O no hydrogen 2.816 N/A ARG 127.A N LYS 130.A O no hydrogen 2.920 N/A ARG 127.A NH1 ARG 67.A O no hydrogen 3.095 N/A ARG 127.A NH1 GLY 68.A O no hydrogen 2.878 N/A LYS 130.A N ARG 127.A O no hydrogen 2.984 N/A HIS 131.A N GLY 149.A O no hydrogen 3.000 N/A HIS 131.A NE2 GLU 124.A OE2 no hydrogen 2.780 N/A HIS 132.A N VAL 125.A O no hydrogen 2.680 N/A ARG 133.A N ARG 146.A O no hydrogen 2.983 N/A ARG 133.A NE GLU 143.A OE2 no hydrogen 3.245 N/A ARG 133.A NH2 GLU 143.A OE2 no hydrogen 3.437 N/A ILE 134.A N VAL 123.A O no hydrogen 3.070 N/A ALA 135.A N GLU 143.A O no hydrogen 2.957 N/A PHE 136.A N THR 121.A O no hydrogen 2.761 N/A SER 137.A N GLU 140.A O no hydrogen 2.806 N/A SER 137.A OG GLU 119.A O no hydrogen 2.661 N/A ARG 138.A N SER 118.A O no hydrogen 2.895 N/A ARG 138.A NE ASP 165.A OD1 no hydrogen 3.119 N/A ARG 138.A NH2 ASP 165.A OD2 no hydrogen 2.991 N/A GLY 139.A N ASN 115.A O no hydrogen 3.243 N/A GLY 139.A N ASN 115.A OD1 no hydrogen 3.259 N/A GLU 140.A N SER 137.A O no hydrogen 3.003 N/A THR 142.A N ALA 135.A O no hydrogen 2.883 N/A GLU 143.A N ALA 135.A O no hydrogen 3.216 N/A ARG 146.A N ARG 133.A O no hydrogen 3.027 N/A VAL 148.A N HIS 131.A O no hydrogen 2.929 N/A ALA 151.A N GLY 129.A O no hydrogen 2.940 N/A GLY 154.A N ALA 151.A O no hydrogen 2.973 N/A LYS 155.A N PRO 152.A O no hydrogen 3.259 N/A LYS 155.A NZ GLU 63.A OE2 no hydrogen 3.093 N/A THR 156.A OG1 GLY 66.A O no hydrogen 3.369 N/A GLY 157.A N PHE 126.A O no hydrogen 2.840 N/A THR 158.A N ASP 64.A OD1 no hydrogen 3.385 N/A ARG 159.A N GLU 124.A O no hydrogen 2.843 N/A ARG 159.A NE GLU 124.A OE1 no hydrogen 2.961 N/A ARG 159.A NH1 GLU 63.A OE1 no hydrogen 3.496 N/A ARG 159.A NH2 GLU 124.A OE1 no hydrogen 3.395 N/A ARG 159.A NH2 GLU 124.A OE2 no hydrogen 2.966 N/A VAL 160.A N VAL 62.A O no hydrogen 2.847 N/A THR 161.A N VAL 122.A O no hydrogen 2.792 N/A THR 161.A OG1 THR 61.A OG1 no hydrogen 3.033 N/A PHE 162.A N LEU 60.A O no hydrogen 3.016 N/A LYS 163.A N TRP 120.A O no hydrogen 3.086 N/A LYS 163.A NZ GLU 119.A OE2 no hydrogen 2.981 N/A ASP 165.A N LEU 117.A O no hydrogen 2.822 N/A GLU 167.A N ASP 165.A OD2 no hydrogen 3.063 N/A ILE 168.A N ASP 165.A O no hydrogen 2.813 N/A PHE 169.A N ASP 165.A O no hydrogen 2.997 N/A GLY 170.A N PRO 166.A O no hydrogen 2.722 N/A SER 177.A N ASP 175.A OD1 no hydrogen 2.829 N/A LYS 178.A N ASP 175.A O no hydrogen 2.909 N/A LYS 178.A NZ GLU 25.A OE2 no hydrogen 2.834 N/A ILE 179.A N ASP 175.A O no hydrogen 3.190 N/A ARG 180.A N PRO 176.A O no hydrogen 2.813 N/A ALA 181.A N SER 177.A O no hydrogen 3.001 N/A ARG 182.A N LYS 178.A O no hydrogen 3.213 N/A ARG 182.A NH1 GLU 185.A OE2 no hydrogen 2.843 N/A ARG 182.A NH1 MET 264.A O no hydrogen 3.198 N/A ARG 182.A NH2 MET 264.A O no hydrogen 3.197 N/A LEU 183.A N ILE 179.A O no hydrogen 2.929 N/A ARG 184.A N ARG 180.A O no hydrogen 2.821 N/A GLU 185.A N ALA 181.A O no hydrogen 3.146 N/A VAL 186.A N ARG 182.A O no hydrogen 2.872 N/A ALA 187.A N LEU 183.A O no hydrogen 2.975 N/A TYR 188.A N ARG 184.A O no hydrogen 3.244 N/A LEU 189.A N GLU 185.A O no hydrogen 3.028 N/A VAL 190.A N VAL 186.A O no hydrogen 2.968 N/A LEU 193.A N VAL 190.A O no hydrogen 2.907 N/A LYS 194.A N THR 48.A O no hydrogen 2.963 N/A LEU 195.A N PHE 208.A O no hydrogen 2.854 N/A VAL 196.A N ILE 50.A O no hydrogen 2.851 N/A PHE 197.A N GLU 206.A O no hydrogen 2.942 N/A GLN 198.A N VAL 52.A O no hydrogen 2.887 N/A ASP 199.A N LYS 204.A O no hydrogen 3.019 N/A GLN 201.A NE2 ASN 55.A O no hydrogen 2.916 N/A HIS 202.A N ASP 199.A O no hydrogen 2.828 N/A GLY 203.A N ARG 200.A O no hydrogen 3.037 N/A LYS 204.A N ASP 199.A O no hydrogen 3.133 N/A PHE 208.A N LEU 195.A O no hydrogen 2.820 N/A GLY 212.A N ASP 210.A OD2 no hydrogen 2.884 N/A GLY 213.A N ASP 210.A O no hydrogen 3.023 N/A ALA 215.A N GLY 212.A O no hydrogen 3.177 N/A SER 216.A OG ASP 210.A OD1 no hydrogen 3.216 N/A SER 216.A OG ASP 210.A OD2 no hydrogen 2.991 N/A PHE 217.A N GLY 213.A O no hydrogen 3.042 N/A ALA 218.A N VAL 214.A O no hydrogen 2.987 N/A LYS 219.A N ALA 215.A O no hydrogen 3.030 N/A LYS 219.A NZ GLU 230.A O no hydrogen 3.042 N/A ALA 220.A N SER 216.A O no hydrogen 2.825 N/A LEU 221.A N PHE 217.A O no hydrogen 2.967 N/A LEU 221.A N ALA 218.A O no hydrogen 2.983 N/A ALA 222.A N ALA 218.A O no hydrogen 3.243 N/A ALA 222.A N LYS 219.A O no hydrogen 2.846 N/A GLU 223.A N ALA 220.A O no hydrogen 3.260 N/A GLU 225.A N ALA 222.A O no hydrogen 3.232 N/A LEU 228.A N HIS 250.A O no hydrogen 2.841 N/A TYR 229.A OH HIS 250.A ND1 no hydrogen 2.938 N/A PHE 233.A N PHE 248.A O no hydrogen 3.020 N/A ILE 235.A N VAL 246.A O no hydrogen 2.860 N/A GLY 237.A N VAL 244.A O no hydrogen 3.029 N/A HIS 239.A N VAL 242.A O no hydrogen 3.063 N/A VAL 242.A N HIS 239.A O no hydrogen 3.224 N/A GLU 243.A N LYS 318.A O no hydrogen 2.922 N/A VAL 244.A N GLY 237.A O no hydrogen 2.822 N/A GLU 245.A N SER 316.A O no hydrogen 2.910 N/A VAL 246.A N ILE 235.A O no hydrogen 2.791 N/A GLY 247.A N VAL 314.A O no hydrogen 3.013 N/A PHE 248.A N PHE 233.A O no hydrogen 3.215 N/A LEU 249.A N TYR 312.A O no hydrogen 2.796 N/A HIS 250.A ND1 TYR 229.A OH no hydrogen 2.938 N/A THR 251.A N GLY 310.A O no hydrogen 2.781 N/A THR 251.A OG1 GLU 225.A OE2 no hydrogen 3.228 N/A THR 251.A OG1 GLY 310.A O no hydrogen 3.402 N/A GLN 252.A N ASP 226.A O no hydrogen 2.911 N/A GLU 257.A N LEU 311.A O no hydrogen 3.416 N/A LEU 259.A N ALA 313.A O no hydrogen 3.048 N/A THR 260.A OG1 THR 267.A OG1 no hydrogen 2.614 N/A TYR 261.A N VAL 315.A O no hydrogen 2.806 N/A TYR 261.A OH GLU 185.A OE1 no hydrogen 2.271 N/A ALA 262.A N ILE 265.A O no hydrogen 3.040 N/A ASN 263.A N VAL 317.A O no hydrogen 2.891 N/A ASN 263.A ND2 SER 103.A OG no hydrogen 2.774 N/A ASN 263.A ND2 LEU 319.A O no hydrogen 3.062 N/A ILE 265.A N ALA 262.A O no hydrogen 3.110 N/A THR 267.A N THR 260.A O no hydrogen 3.158 N/A THR 267.A OG1 THR 260.A OG1 no hydrogen 2.614 N/A ASP 269.A N GLY 330.A O no hydrogen 2.859 N/A GLY 270.A N THR 267.A O no hydrogen 2.861 N/A THR 272.A N LEU 332.A O no hydrogen 2.959 N/A THR 272.A OG1 ASN 334.A O no hydrogen 2.676 N/A HIS 273.A NE2 GLY 270.A O no hydrogen 3.203 N/A THR 275.A N GLY 271.A O no hydrogen 3.034 N/A THR 275.A OG1 GLY 271.A O no hydrogen 3.232 N/A ALA 276.A N THR 272.A O no hydrogen 3.027 N/A PHE 277.A N HIS 273.A O no hydrogen 2.928 N/A LYS 278.A N LEU 274.A O no hydrogen 3.060 N/A SER 279.A N THR 275.A O no hydrogen 3.088 N/A ALA 280.A N ALA 276.A O no hydrogen 2.921 N/A TYR 281.A N PHE 277.A O no hydrogen 2.827 N/A SER 282.A N LYS 278.A O no hydrogen 2.861 N/A SER 282.A OG LYS 278.A O no hydrogen 2.548 N/A ARG 283.A N SER 279.A O no hydrogen 2.900 N/A ALA 284.A N ALA 280.A O no hydrogen 2.971 N/A LEU 285.A N TYR 281.A O no hydrogen 2.849 N/A ASN 286.A N SER 282.A O no hydrogen 3.096 N/A GLN 287.A N ARG 283.A O no hydrogen 3.036 N/A GLN 287.A NE2 TYR 346.A OH no hydrogen 2.644 N/A TYR 288.A N ALA 284.A O no hydrogen 3.085 N/A ALA 289.A N LEU 285.A O no hydrogen 3.096 N/A LYS 290.A N ASN 286.A O no hydrogen 3.201 N/A LYS 291.A N GLN 287.A O no hydrogen 2.917 N/A ALA 292.A N TYR 288.A O no hydrogen 2.806 N/A GLY 293.A N LYS 290.A O no hydrogen 2.963 N/A LEU 294.A N ALA 289.A O no hydrogen 2.911 N/A LYS 296.A N LEU 294.A O no hydrogen 2.895 N/A THR 303.A OG1 GLY 304.A O no hydrogen 3.119 N/A THR 303.A OG1 ASP 306.A OD1 no hydrogen 2.580 N/A ASP 306.A N THR 303.A O no hydrogen 3.007 N/A LEU 307.A N THR 303.A O no hydrogen 3.401 N/A GLU 309.A N ASP 306.A O no hydrogen 3.325 N/A TYR 312.A N LEU 249.A O no hydrogen 2.926 N/A TYR 312.A OH GLU 225.A OE2 no hydrogen 3.409 N/A TYR 312.A OH ASN 255.A O no hydrogen 3.385 N/A ALA 313.A N GLU 257.A O no hydrogen 3.137 N/A VAL 314.A N GLY 247.A O no hydrogen 2.877 N/A VAL 315.A N LEU 259.A O no hydrogen 2.842 N/A SER 316.A N GLU 245.A O no hydrogen 2.898 N/A VAL 317.A N TYR 261.A O no hydrogen 2.882 N/A LYS 318.A N GLU 243.A O no hydrogen 2.969 N/A LYS 318.A NZ GLU 243.A OE2 no hydrogen 2.715 N/A LEU 319.A N ASN 263.A OD1 no hydrogen 2.942 N/A GLN 323.A N ASN 334.A OD1 no hydrogen 2.660 N/A LYS 329.A N GLY 326.A O no hydrogen 3.097 N/A LEU 332.A N GLY 270.A O no hydrogen 3.048 N/A LEU 333.A N GLN 323.A O no hydrogen 2.769 N/A ASN 334.A ND2 ASN 321.A O no hydrogen 2.904 N/A ASN 334.A ND2 GLU 336.A OE1 no hydrogen 3.270 N/A ALA 337.A N ASN 334.A O no hydrogen 3.107 N/A THR 339.A N PRO 335.A O no hydrogen 3.139 N/A THR 339.A OG1 GLU 336.A O no hydrogen 2.830 N/A ALA 340.A N GLU 336.A O no hydrogen 2.902 N/A VAL 341.A N ALA 337.A O no hydrogen 2.840 N/A GLY 342.A N GLY 338.A O no hydrogen 2.873 N/A GLN 343.A N THR 339.A O no hydrogen 3.004 N/A VAL 344.A N ALA 340.A O no hydrogen 2.992 N/A VAL 345.A N VAL 341.A O no hydrogen 2.855 N/A TYR 346.A N GLY 342.A O no hydrogen 2.949 N/A GLU 347.A N GLN 343.A O no hydrogen 3.436 N/A ARG 348.A N VAL 344.A O no hydrogen 3.371 N/A ARG 348.A NH1 GLU 355.A OE1 no hydrogen 3.014 N/A LEU 349.A N VAL 345.A O no hydrogen 2.752 N/A LEU 350.A N TYR 346.A O no hydrogen 3.024 N/A GLU 351.A N GLU 347.A O no hydrogen 3.320 N/A ILE 352.A N ARG 348.A O no hydrogen 3.009 N/A LEU 353.A N LEU 349.A O no hydrogen 3.079 N/A GLU 354.A N LEU 350.A O no hydrogen 3.353 N/A GLU 355.A N GLU 351.A O no hydrogen 2.950 N/A GLU 355.A N ILE 352.A O no hydrogen 3.132 N/A ASN 356.A N LEU 353.A O no hydrogen 3.035 N/A ASN 356.A ND2 ILE 352.A O no hydrogen 3.112 N/A ALA 360.A N ASN 356.A O no hydrogen 2.725 N/A LYS 361.A N PRO 357.A O no hydrogen 3.140 N/A ALA 362.A N ARG 358.A O no hydrogen 3.149 N/A VAL 363.A N ILE 359.A O no hydrogen 2.813 N/A VAL 363.A N ALA 360.A O no hydrogen 3.165 N/A TYR 364.A N ALA 360.A O no hydrogen 3.224 N/A GLU 365.A N LYS 361.A O no hydrogen 2.932 N/A LYS 366.A N ALA 362.A O no hydrogen 3.276 N/A LYS 366.A NZ GLY 253.A O no hydrogen 2.822 N/A ALA 367.A N VAL 363.A O no hydrogen 3.134 N/A ALA 367.A N TYR 364.A O no hydrogen 2.841 N/A LEU 368.A N TYR 364.A O no hydrogen 2.987 N/A ARG 369.A N GLU 365.A O no hydrogen 2.926 N/A ALA 370.A N LYS 366.A O no hydrogen 3.207 N/A ALA 371.A N ALA 367.A O no hydrogen 3.014 N/A GLN 372.A N LEU 368.A O no hydrogen 3.119 N/A ALA 373.A N ARG 369.A O no hydrogen 2.878 N/A ARG 374.A N ALA 370.A O no hydrogen 2.891 N/A GLU 375.A N ALA 371.A O no hydrogen 3.079 N/A ALA 376.A N GLN 372.A O no hydrogen 2.741 N/A ALA 377.A N ALA 373.A O no hydrogen 3.135 N/A ARG 378.A N ARG 374.A O no hydrogen 3.204 N/A LYS 379.A N GLU 375.A O no hydrogen 3.143 N/A ALA 380.A N ALA 376.A O no hydrogen 3.074 N/A ARG 381.A N ALA 377.A O no hydrogen 2.956 N/A GLU 382.A N ARG 378.A O no hydrogen 2.857 N/A LEU 383.A N LYS 379.A O no hydrogen 3.066 N/A LEU 383.A N ALA 380.A O no hydrogen 3.225 N/A VAL 384.A N ARG 381.A O no hydrogen 2.815 N/A