Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8u6a_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ASP 112.A OD2 no hydrogen 3.473 N/A LYS 9.A N ARG 79.A O no hydrogen 3.270 N/A MET 12.A N LYS 9.A O no hydrogen 3.113 N/A GLY 14.A N ASP 13.A OD1 no hydrogen 2.729 N/A VAL 17.A N ASN 53.A O no hydrogen 2.976 N/A GLN 19.A NE2 TRP 20.A O no hydrogen 2.915 N/A GLN 19.A NE2 VAL 56.A O no hydrogen 3.027 N/A LYS 26.A NZ GLU 375.A OE2 no hydrogen 2.758 N/A ILE 27.A N THR 23.A O no hydrogen 2.998 N/A LYS 28.A N GLU 24.A O no hydrogen 2.815 N/A ALA 29.A N GLU 25.A O no hydrogen 2.906 N/A LEU 30.A N LYS 26.A O no hydrogen 3.023 N/A VAL 31.A N ILE 27.A O no hydrogen 2.844 N/A GLU 32.A N LYS 28.A O no hydrogen 3.171 N/A ILE 33.A N ALA 29.A O no hydrogen 3.039 N/A CYS 34.A N LEU 30.A O no hydrogen 2.825 N/A THR 35.A N VAL 31.A O no hydrogen 2.958 N/A THR 35.A OG1 VAL 31.A O no hydrogen 3.178 N/A GLU 36.A N GLU 32.A O no hydrogen 3.376 N/A MET 37.A N ILE 33.A O no hydrogen 3.031 N/A GLU 38.A N CYS 34.A O no hydrogen 3.133 N/A GLU 38.A N THR 35.A O no hydrogen 3.156 N/A LYS 39.A N THR 35.A O no hydrogen 3.281 N/A GLU 40.A N GLU 36.A O no hydrogen 3.102 N/A GLY 41.A N GLU 38.A O no hydrogen 2.952 N/A LYS 42.A N MET 37.A O no hydrogen 2.837 N/A LYS 42.A NZ GLU 40.A OE1 no hydrogen 2.430 N/A ILE 43.A N MET 37.A O no hydrogen 3.359 N/A SER 44.A N GLN 136.A O no hydrogen 3.148 N/A SER 44.A OG ASN 138.A OD1 no hydrogen 2.983 N/A LYS 45.A NZ GLU 38.A OE1 no hydrogen 2.629 N/A LYS 45.A NZ GLU 38.A OE2 no hydrogen 3.118 N/A ILE 46.A N ARG 134.A O no hydrogen 3.133 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.442 N/A ASN 50.A N GLY 47.A O no hydrogen 3.379 N/A ASN 50.A ND2 LYS 117.A O no hydrogen 3.347 N/A TYR 52.A N ASN 50.A OD1 no hydrogen 3.121 N/A TYR 52.A OH ASP 13.A OD1 no hydrogen 2.609 N/A ASN 53.A N PRO 15.A O no hydrogen 2.870 N/A ASN 53.A ND2 VAL 17.A O no hydrogen 2.470 N/A VAL 56.A N GLN 19.A OE1 no hydrogen 3.025 N/A PHE 57.A N LEU 70.A O no hydrogen 2.852 N/A ILE 59.A N ARG 68.A O no hydrogen 2.918 N/A LYS 60.A NZ THR 65.A O no hydrogen 2.800 N/A ARG 68.A N ILE 59.A O no hydrogen 2.625 N/A ARG 68.A NH1 LYS 69.A O no hydrogen 3.411 N/A ARG 68.A NH2 ASP 101.A OD2 no hydrogen 3.118 N/A LYS 69.A NZ TYR 137.A OH no hydrogen 2.606 N/A LEU 70.A N PHE 57.A O no hydrogen 2.920 N/A ASP 72.A N PRO 55.A O no hydrogen 2.960 N/A ARG 74.A N ASP 72.A OD1 no hydrogen 3.223 N/A ARG 74.A NE ASP 72.A OD1 no hydrogen 2.984 N/A ARG 74.A NH2 ASP 72.A OD2 no hydrogen 3.295 N/A ASN 77.A N PHE 73.A O no hydrogen 2.771 N/A ASN 77.A ND2 GLY 143.A O no hydrogen 3.159 N/A LYS 78.A N ARG 74.A O no hydrogen 3.056 N/A LYS 78.A NZ GLU 75.A OE1 no hydrogen 3.064 N/A ARG 79.A N GLU 75.A O no hydrogen 3.059 N/A ARG 79.A NE GLU 75.A OE2 no hydrogen 2.767 N/A ARG 79.A NH1 ASP 13.A O no hydrogen 2.900 N/A ARG 79.A NH2 GLU 75.A OE2 no hydrogen 3.268 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.602 N/A HIS 87.A NE2 VAL 352.A O no hydrogen 2.637 N/A LEU 91.A N PRO 88.A O no hydrogen 3.321 N/A LYS 92.A NZ ALA 89.A O no hydrogen 2.935 N/A LYS 94.A N LEU 91.A O no hydrogen 3.296 N/A LYS 95.A N ASP 183.A OD1 no hydrogen 3.215 N/A SER 96.A N SER 182.A O no hydrogen 3.117 N/A SER 96.A OG HIS 206.A ND1 no hydrogen 3.159 N/A VAL 97.A N LEU 205.A O no hydrogen 2.906 N/A THR 98.A N VAL 180.A O no hydrogen 2.790 N/A LEU 100.A N LEU 178.A O no hydrogen 2.811 N/A VAL 102.A N ASP 176.A O no hydrogen 2.841 N/A GLY 103.A N ASP 101.A OD1 no hydrogen 2.994 N/A ALA 105.A N VAL 102.A O no hydrogen 3.192 N/A TYR 106.A N GLY 103.A O no hydrogen 2.998 N/A TYR 106.A OH MET 175.A O no hydrogen 2.900 N/A PHE 107.A N ASP 104.A O no hydrogen 3.277 N/A SER 108.A N ALA 105.A O no hydrogen 3.143 N/A SER 108.A OG ALA 105.A O no hydrogen 2.910 N/A VAL 109.A N TYR 106.A O no hydrogen 3.174 N/A LEU 111.A N ASN 138.A O no hydrogen 3.103 N/A ASP 114.A N ASP 112.A OD1 no hydrogen 2.703 N/A PHE 115.A N ASP 112.A O no hydrogen 2.994 N/A ARG 116.A NE LEU 111.A O no hydrogen 2.873 N/A ARG 116.A NH2 LEU 111.A O no hydrogen 2.894 N/A LYS 117.A NZ ASP 114.A O no hydrogen 3.014 N/A TYR 118.A N PHE 115.A O no hydrogen 3.057 N/A THR 119.A N ARG 116.A O no hydrogen 2.957 N/A THR 119.A OG1 ARG 116.A O no hydrogen 3.004 N/A PHE 121.A N TYR 135.A O no hydrogen 3.159 N/A THR 122.A OG1 ASN 53.A OD1 no hydrogen 2.525 N/A ILE 123.A N ILE 133.A O no hydrogen 2.767 N/A SER 125.A OG THR 130.A O no hydrogen 2.467 N/A GLU 129.A N ILE 126.A O no hydrogen 3.039 N/A ARG 134.A NE THR 122.A OG1 no hydrogen 3.146 N/A ARG 134.A NH1 TYR 52.A O no hydrogen 3.033 N/A ARG 134.A NH2 TYR 52.A O no hydrogen 2.589 N/A TYR 135.A N PHE 121.A O no hydrogen 3.031 N/A GLN 136.A N SER 44.A O no hydrogen 3.095 N/A TYR 137.A N THR 119.A OG1 no hydrogen 2.856 N/A ASN 138.A N LYS 42.A O no hydrogen 2.829 N/A LEU 140.A N VAL 109.A O no hydrogen 3.106 N/A GLY 143.A N ASP 176.A OD1 no hydrogen 3.292 N/A TRP 144.A N PRO 141.A O no hydrogen 3.339 N/A TRP 144.A NE1 THR 80.A OG1 no hydrogen 2.874 N/A LYS 145.A N ASN 77.A OD1 no hydrogen 3.030 N/A LYS 145.A NZ THR 80.A O no hydrogen 3.029 N/A LYS 145.A NZ ASP 82.A OD1 no hydrogen 3.074 N/A SER 147.A N TRP 144.A O no hydrogen 3.308 N/A SER 147.A OG PRO 141.A O no hydrogen 2.601 N/A ILE 150.A N GLY 146.A O no hydrogen 2.975 N/A PHE 151.A N SER 147.A O no hydrogen 3.143 N/A GLN 152.A N ALA 149.A O no hydrogen 3.449 N/A MET 155.A N PHE 151.A O no hydrogen 2.895 N/A THR 156.A N GLN 152.A O no hydrogen 2.869 N/A THR 156.A OG1 GLN 152.A O no hydrogen 2.742 N/A LYS 157.A N SER 153.A O no hydrogen 3.116 N/A ILE 158.A N SER 154.A O no hydrogen 2.845 N/A LEU 159.A N MET 155.A O no hydrogen 2.936 N/A LYS 163.A N LEU 159.A O no hydrogen 2.932 N/A LYS 164.A N GLU 160.A O no hydrogen 3.213 N/A GLN 165.A N PRO 161.A O no hydrogen 3.044 N/A ASN 166.A N PHE 162.A O no hydrogen 2.961 N/A VAL 170.A N GLY 181.A O no hydrogen 2.905 N/A TYR 172.A N TYR 179.A O no hydrogen 2.896 N/A TYR 174.A N ASP 177.A O no hydrogen 3.086 N/A ASP 177.A N TYR 174.A O no hydrogen 3.042 N/A LEU 178.A N LEU 100.A O no hydrogen 2.721 N/A TYR 179.A N TYR 172.A O no hydrogen 2.669 N/A VAL 180.A N THR 98.A O no hydrogen 2.884 N/A GLY 181.A N VAL 170.A O no hydrogen 2.951 N/A SER 182.A N SER 96.A O no hydrogen 2.905 N/A LEU 184.A N SER 182.A OG no hydrogen 3.378 N/A HIS 189.A N ILE 186.A O no hydrogen 2.903 N/A ARG 190.A N GLY 187.A O no hydrogen 3.013 N/A THR 191.A OG1 GLN 188.A O no hydrogen 2.619 N/A LYS 192.A N GLN 188.A O no hydrogen 2.579 N/A ILE 193.A N HIS 189.A O no hydrogen 2.638 N/A GLU 194.A N ARG 190.A O no hydrogen 3.004 N/A GLU 195.A N THR 191.A O no hydrogen 2.753 N/A LEU 196.A N LYS 192.A O no hydrogen 2.995 N/A ARG 197.A N ILE 193.A O no hydrogen 2.679 N/A GLN 198.A N GLU 194.A O no hydrogen 2.967 N/A HIS 199.A N GLU 195.A O no hydrogen 3.023 N/A LEU 200.A N LEU 196.A O no hydrogen 3.204 N/A LEU 201.A N ARG 197.A O no hydrogen 2.948 N/A ARG 202.A N GLN 198.A O no hydrogen 2.817 N/A LEU 205.A N VAL 97.A O no hydrogen 3.089 N/A HIS 206.A ND1 SER 96.A OG no hydrogen 3.159 N/A GLN 213.A N THR 322.A OG1 no hydrogen 2.943 N/A LYS 220.A NZ ASP 227.A OD2 no hydrogen 3.437 N/A THR 224.A N ASP 227.A OD2 no hydrogen 3.200 N/A VAL 225.A N GLU 262.A O no hydrogen 2.922 N/A ASN 226.A N LEU 260.A O no hydrogen 3.088 N/A ASP 227.A N THR 224.A OG1 no hydrogen 3.059 N/A ILE 228.A N THR 224.A O no hydrogen 2.988 N/A GLN 229.A N VAL 225.A O no hydrogen 2.874 N/A LYS 230.A N ASN 226.A O no hydrogen 2.882 N/A LEU 231.A N ASP 227.A O no hydrogen 3.072 N/A VAL 232.A N ILE 228.A O no hydrogen 2.959 N/A GLY 233.A N GLN 229.A O no hydrogen 3.135 N/A LYS 234.A N LYS 230.A O no hydrogen 2.962 N/A LYS 234.A NZ VAL 216.A O no hydrogen 2.490 N/A LYS 234.A NZ TRP 397.A O no hydrogen 3.542 N/A LEU 235.A N LEU 231.A O no hydrogen 2.898 N/A ASN 236.A N VAL 232.A O no hydrogen 2.992 N/A TRP 237.A N GLY 233.A O no hydrogen 3.147 N/A ALA 238.A N LYS 234.A O no hydrogen 2.827 N/A SER 239.A N LEU 235.A O no hydrogen 2.820 N/A SER 239.A OG ASN 236.A O no hydrogen 2.559 N/A GLN 240.A N TRP 237.A O no hydrogen 3.063 N/A ILE 241.A N ALA 238.A O no hydrogen 2.756 N/A TYR 242.A N ALA 238.A O no hydrogen 2.692 N/A TYR 242.A OH GLU 283.A O no hydrogen 3.254 N/A LYS 246.A N ASN 277.A OD1 no hydrogen 3.187 N/A GLN 249.A N GLU 273.A OE2 no hydrogen 3.092 N/A LEU 250.A N GLU 273.A OE1 no hydrogen 2.873 N/A SER 251.A N VAL 247.A O no hydrogen 2.957 N/A SER 251.A OG VAL 247.A O no hydrogen 2.976 N/A LYS 252.A N ARG 248.A O no hydrogen 3.134 N/A LEU 253.A N LEU 250.A O no hydrogen 3.208 N/A LEU 254.A N SER 251.A O no hydrogen 2.857 N/A ARG 255.A N LYS 252.A O no hydrogen 3.242 N/A GLU 262.A N ALA 259.A O no hydrogen 3.227 N/A ILE 264.A N TRP 223.A O no hydrogen 2.753 N/A THR 267.A OG1 GLU 269.A OE1 no hydrogen 3.095 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.683 N/A ALA 270.A N THR 267.A OG1 no hydrogen 2.691 N/A GLU 271.A N THR 267.A O no hydrogen 3.029 N/A LEU 272.A N GLU 268.A O no hydrogen 3.168 N/A GLU 273.A N GLU 269.A O no hydrogen 3.098 N/A LEU 274.A N ALA 270.A O no hydrogen 3.243 N/A ALA 275.A N GLU 271.A O no hydrogen 3.128 N/A GLU 276.A N LEU 272.A O no hydrogen 2.856 N/A ASN 277.A N GLU 273.A O no hydrogen 3.097 N/A ASN 277.A ND2 LYS 246.A O no hydrogen 2.909 N/A ARG 278.A N LEU 274.A O no hydrogen 2.844 N/A ARG 278.A NH1 LEU 217.A O no hydrogen 3.566 N/A ARG 278.A NH2 PRO 218.A O no hydrogen 3.383 N/A GLU 279.A N ALA 275.A O no hydrogen 3.029 N/A ILE 280.A N GLU 276.A O no hydrogen 3.138 N/A LEU 281.A N ASN 277.A O no hydrogen 3.073 N/A LYS 282.A N ARG 278.A O no hydrogen 3.059 N/A LYS 282.A N GLU 279.A O no hydrogen 3.260 N/A ASP 291.A N GLN 314.A OE1 no hydrogen 3.029 N/A SER 293.A N ASP 291.A OD1 no hydrogen 2.888 N/A SER 293.A OG ASP 291.A OD1 no hydrogen 3.110 N/A SER 293.A OG ASP 291.A OD2 no hydrogen 2.652 N/A LYS 294.A N ASP 291.A O no hydrogen 3.158 N/A LYS 294.A NZ GLU 315.A OE2 no hydrogen 3.268 N/A ILE 297.A N TYR 313.A O no hydrogen 2.654 N/A ALA 298.A N LYS 359.A O no hydrogen 3.007 N/A GLU 299.A N GLN 311.A O no hydrogen 3.103 N/A GLN 301.A N THR 309.A O no hydrogen 2.931 N/A GLN 301.A NE2 GLN 311.A OE1 no hydrogen 2.948 N/A LYS 302.A NZ ASP 335.A OD2 no hydrogen 2.503 N/A GLN 303.A N GLN 307.A O no hydrogen 3.028 N/A GLN 303.A NE2 THR 309.A OG1 no hydrogen 3.088 N/A GLN 303.A NE2 LYS 395.A O no hydrogen 3.014 N/A GLN 307.A N GLY 304.A O no hydrogen 3.194 N/A TRP 308.A N TYR 325.A O no hydrogen 2.808 N/A TRP 308.A NE1 GLN 338.A OE1 no hydrogen 2.704 N/A THR 309.A N GLN 301.A O no hydrogen 3.058 N/A THR 309.A OG1 GLN 301.A OE1 no hydrogen 2.600 N/A TYR 310.A N GLY 323.A O no hydrogen 2.937 N/A GLN 311.A N GLU 299.A O no hydrogen 3.102 N/A GLN 311.A NE2 GLN 301.A OE1 no hydrogen 3.065 N/A ILE 312.A N LYS 321.A O no hydrogen 2.636 N/A TYR 313.A N ILE 297.A O no hydrogen 2.901 N/A TYR 313.A OH GLU 299.A OE2 no hydrogen 2.702 N/A GLN 314.A NE2 ASP 291.A O no hydrogen 2.855 N/A GLN 314.A NE2 LYS 294.A O no hydrogen 3.447 N/A LYS 318.A N GLU 315.A O no hydrogen 2.954 N/A LYS 318.A NZ HIS 286.A ND1 no hydrogen 3.393 N/A LYS 318.A NZ HIS 286.A O no hydrogen 2.829 N/A LEU 320.A N ILE 312.A O no hydrogen 2.738 N/A LYS 321.A N ILE 312.A O no hydrogen 3.219 N/A LYS 321.A NZ TRP 210.A O no hydrogen 3.378 N/A LYS 321.A NZ THR 211.A O no hydrogen 3.472 N/A LYS 321.A NZ THR 322.A O no hydrogen 3.352 N/A THR 322.A N THR 211.A O no hydrogen 2.920 N/A GLY 323.A N TYR 310.A O no hydrogen 3.045 N/A LYS 324.A NZ GLN 307.A OE1 no hydrogen 2.638 N/A TYR 325.A N TRP 308.A O no hydrogen 2.725 N/A ALA 331.A N ARG 329.A O no hydrogen 2.348 N/A ASN 334.A N ALA 331.A O no hydrogen 3.162 N/A ASN 334.A ND2 TYR 376.A OH no hydrogen 2.645 N/A LYS 337.A N ASN 334.A OD1 no hydrogen 3.064 N/A LYS 337.A NZ GLY 330.A O no hydrogen 3.113 N/A GLN 338.A N ASN 334.A O no hydrogen 3.398 N/A GLN 338.A NE2 ALA 331.A O no hydrogen 2.687 N/A LEU 339.A N ASP 335.A O no hydrogen 3.037 N/A THR 340.A N VAL 336.A O no hydrogen 2.957 N/A THR 340.A OG1 VAL 336.A O no hydrogen 2.468 N/A GLU 341.A N LYS 337.A O no hydrogen 3.005 N/A ALA 342.A N GLN 338.A O no hydrogen 2.801 N/A VAL 343.A N LEU 339.A O no hydrogen 2.679 N/A GLN 344.A N THR 340.A O no hydrogen 2.959 N/A GLN 344.A NE2 THR 340.A O no hydrogen 3.027 N/A GLN 344.A NE2 TYR 376.A O no hydrogen 3.674 N/A LYS 345.A N GLU 341.A O no hydrogen 2.875 N/A ILE 346.A N ALA 342.A O no hydrogen 3.026 N/A THR 347.A N VAL 343.A O no hydrogen 3.113 N/A THR 347.A OG1 VAL 343.A O no hydrogen 2.724 N/A THR 348.A N GLN 344.A O no hydrogen 2.957 N/A THR 348.A OG1 GLN 344.A O no hydrogen 3.168 N/A GLU 349.A N LYS 345.A O no hydrogen 2.958 N/A SER 350.A N ILE 346.A O no hydrogen 2.917 N/A SER 350.A OG LYS 356.A O no hydrogen 3.035 N/A ILE 351.A N THR 347.A O no hydrogen 2.885 N/A VAL 352.A N THR 348.A O no hydrogen 3.031 N/A ILE 353.A N GLU 349.A O no hydrogen 3.017 N/A TRP 354.A N SER 350.A O no hydrogen 3.067 N/A GLY 355.A N ILE 351.A O no hydrogen 2.817 N/A LYS 356.A NZ TYR 290.A OH no hydrogen 3.258 N/A LYS 356.A NZ PRO 292.A O no hydrogen 3.215 N/A LYS 356.A NZ LYS 294.A O no hydrogen 2.601 N/A LYS 359.A N LEU 296.A O no hydrogen 2.897 N/A PHE 360.A N GLU 384.A O no hydrogen 2.927 N/A LYS 361.A N ALA 298.A O no hydrogen 2.712 N/A LYS 361.A NZ GLU 299.A OE2 no hydrogen 2.878 N/A LEU 362.A N GLU 386.A O no hydrogen 2.901 N/A TRP 369.A N GLN 365.A O no hydrogen 3.110 N/A GLU 370.A N LYS 366.A O no hydrogen 2.783 N/A THR 371.A N GLU 367.A O no hydrogen 3.239 N/A THR 371.A OG1 GLU 367.A O no hydrogen 2.538 N/A TRP 372.A N TRP 369.A O no hydrogen 3.094 N/A TRP 373.A N TRP 369.A O no hydrogen 3.042 N/A GLU 375.A N TRP 372.A O no hydrogen 2.943 N/A TYR 376.A N TRP 373.A O no hydrogen 3.264 N/A TRP 377.A NE1 TRP 381.A O no hydrogen 2.938 N/A GLN 378.A N GLN 344.A OE1 no hydrogen 2.717 N/A GLN 378.A NE2 LYS 60.A O no hydrogen 3.072 N/A GLU 386.A N PHE 360.A O no hydrogen 2.891 N/A VAL 388.A N LEU 362.A O no hydrogen 2.943 N/A LYS 395.A N PRO 392.A O no hydrogen 3.443 N/A LYS 395.A NZ GLN 303.A OE1 no hydrogen 2.972 N/A TYR 398.A N VAL 394.A O no hydrogen 3.307 N/A GLN 399.A N LYS 395.A O no hydrogen 3.423 N/A