Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nqu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N LYS 269.A O no hydrogen 3.424 N/A THR 6.A N SER 3.A OG no hydrogen 3.121 N/A THR 6.A OG1 SER 3.A OG no hydrogen 3.167 N/A ALA 7.A N SER 3.A O no hydrogen 3.041 N/A LEU 8.A N LEU 4.A O no hydrogen 2.883 N/A ASN 9.A N ASP 5.A O no hydrogen 3.306 N/A GLU 10.A N THR 6.A O no hydrogen 3.183 N/A MET 11.A N ALA 7.A O no hydrogen 2.969 N/A LEU 12.A N LEU 8.A O no hydrogen 2.999 N/A SER 13.A N ASN 9.A O no hydrogen 2.937 N/A SER 13.A OG ASN 9.A O no hydrogen 3.040 N/A SER 13.A OG GLU 10.A O no hydrogen 3.035 N/A ARG 14.A N GLU 10.A O no hydrogen 3.288 N/A VAL 15.A N LEU 12.A O no hydrogen 3.072 N/A LEU 18.A N LEU 313.A O no hydrogen 3.034 N/A GLU 22.A N VAL 168.A O no hydrogen 2.829 N/A LEU 24.A N VAL 166.A O no hydrogen 2.913 N/A LEU 26.A N ALA 164.A O no hydrogen 3.113 N/A GLN 28.A N PRO 25.A O no hydrogen 2.938 N/A CYS 29.A N LEU 26.A O no hydrogen 2.970 N/A CYS 29.A SG LEU 24.A O no hydrogen 3.654 N/A CYS 29.A SG PRO 25.A O no hydrogen 3.255 N/A GLY 31.A N LEU 150.A O no hydrogen 2.627 N/A ARG 32.A N CYS 29.A O no hydrogen 2.966 N/A ARG 32.A NH1 GLU 22.A OE1 no hydrogen 3.124 N/A ARG 32.A NH1 ILE 169.A O no hydrogen 2.731 N/A ARG 32.A NH2 GLU 22.A OE1 no hydrogen 2.696 N/A LEU 34.A N THR 148.A O no hydrogen 3.049 N/A ALA 35.A N PRO 167.A O no hydrogen 2.837 N/A VAL 38.A N PHE 144.A O no hydrogen 2.865 N/A SER 40.A N ALA 141.A O no hydrogen 2.978 N/A SER 40.A OG LEU 42.A O no hydrogen 2.593 N/A LEU 42.A N SER 40.A OG no hydrogen 3.358 N/A VAL 44.A N ILE 137.A O no hydrogen 2.692 N/A ASN 49.A N ARG 131.A O no hydrogen 2.791 N/A ASN 49.A ND2 SER 50.A O no hydrogen 3.512 N/A SER 50.A N ALA 96.A O no hydrogen 2.825 N/A SER 50.A OG MET 52.A O no hydrogen 2.694 N/A ALA 51.A N ASN 129.A O no hydrogen 3.006 N/A MET 52.A N SER 50.A OG no hydrogen 3.235 N/A GLY 54.A N ILE 92.A O no hydrogen 2.779 N/A TYR 55.A N VAL 106.A O no hydrogen 2.882 N/A ALA 56.A N ILE 90.A O no hydrogen 2.800 N/A VAL 57.A N ALA 104.A O no hydrogen 2.985 N/A ARG 58.A NH1 PRO 85.A O no hydrogen 3.431 N/A ARG 58.A NH2 PRO 85.A O no hydrogen 3.110 N/A LEU 59.A N GLU 103.A OE2 no hydrogen 3.222 N/A ILE 62.A N LEU 59.A O no hydrogen 3.235 N/A ALA 63.A N LEU 59.A O no hydrogen 3.459 N/A SER 64.A OG ASP 61.A O no hydrogen 3.547 N/A GLY 65.A N ILE 62.A O no hydrogen 3.075 N/A LEU 68.A N VAL 118.A O no hydrogen 2.725 N/A ALA 71.A N CYS 89.A O no hydrogen 2.916 N/A SER 74.A N ARG 91.A O no hydrogen 3.000 N/A SER 74.A OG PRO 97.A O no hydrogen 2.788 N/A PHE 75.A N GLN 78.A O no hydrogen 3.061 N/A GLN 78.A N PHE 75.A O no hydrogen 3.116 N/A TYR 80.A OH GLU 83.A O no hydrogen 2.677 N/A GLY 87.A N ASP 61.A OD2 no hydrogen 2.881 N/A THR 88.A OG1 PRO 85.A O no hydrogen 2.629 N/A CYS 89.A N PRO 69.A O no hydrogen 2.998 N/A CYS 89.A SG LEU 68.A O no hydrogen 3.699 N/A CYS 89.A SG PRO 69.A O no hydrogen 3.885 N/A ILE 90.A N ALA 56.A O no hydrogen 3.110 N/A ARG 91.A NH1 GLY 54.A O no hydrogen 3.252 N/A ILE 92.A N GLY 54.A O no hydrogen 2.975 N/A MET 93.A N SER 74.A O no hydrogen 3.465 N/A THR 94.A N ASP 53.A OD2 no hydrogen 3.099 N/A THR 94.A OG1 ALA 51.A O no hydrogen 3.288 N/A THR 94.A OG1 ASP 53.A OD2 no hydrogen 3.485 N/A GLY 95.A N SER 50.A O no hydrogen 2.777 N/A ALA 96.A N MET 93.A O no hydrogen 3.036 N/A VAL 98.A N ASP 48.A O no hydrogen 3.302 N/A CYS 102.A N PRO 99.A O no hydrogen 3.100 N/A CYS 102.A SG ALA 104.A O no hydrogen 3.200 N/A GLU 103.A N VAL 57.A O no hydrogen 3.276 N/A VAL 105.A N GLN 128.A O no hydrogen 3.002 N/A VAL 106.A N TYR 55.A O no hydrogen 2.781 N/A GLN 108.A N ASP 53.A O no hydrogen 2.963 N/A GLN 108.A NE2 TYR 55.A OH no hydrogen 3.551 N/A GLU 109.A N GLU 109.A OE2 no hydrogen 3.317 N/A THR 111.A N GLN 108.A O no hydrogen 3.059 N/A THR 111.A OG1 GLN 108.A O no hydrogen 2.684 N/A GLU 112.A N ARG 119.A O no hydrogen 2.765 N/A MET 114.A N GLY 117.A O no hydrogen 2.817 N/A VAL 118.A N LEU 68.A O no hydrogen 2.820 N/A ARG 119.A N GLU 112.A O no hydrogen 2.935 N/A THR 121.A N GLN 110.A O no hydrogen 3.217 N/A THR 121.A OG1 GLN 110.A O no hydrogen 3.310 N/A ARG 125.A N GLN 128.A OE1 no hydrogen 2.866 N/A GLY 127.A N GLU 103.A O no hydrogen 2.640 N/A GLN 128.A N ARG 125.A O no hydrogen 3.367 N/A GLN 128.A NE2 VAL 105.A O no hydrogen 3.183 N/A ASN 129.A ND2 VAL 105.A O no hydrogen 3.586 N/A ARG 131.A N ASN 49.A O no hydrogen 2.724 N/A ARG 132.A N GLU 135.A OE1 no hydrogen 3.422 N/A ARG 133.A N ASP 48.A OD1 no hydrogen 2.831 N/A ARG 133.A NE GLY 46.A O no hydrogen 2.986 N/A GLY 134.A N PRO 45.A O no hydrogen 3.120 N/A GLU 135.A N ARG 132.A O no hydrogen 2.978 N/A ASP 136.A N VAL 44.A O no hydrogen 3.044 N/A ILE 137.A N VAL 44.A O no hydrogen 2.871 N/A ALA 139.A N ASP 43.A OD1 no hydrogen 3.348 N/A GLY 140.A N SER 40.A O no hydrogen 2.989 N/A ALA 141.A N SER 138.A O no hydrogen 3.158 N/A VAL 143.A N VAL 38.A O no hydrogen 2.928 N/A ALA 146.A N ASP 37.A OD1 no hydrogen 2.862 N/A GLY 147.A N LEU 34.A O no hydrogen 2.793 N/A THR 148.A OG1 PRO 145.A O no hydrogen 2.620 N/A LEU 150.A N ARG 32.A O no hydrogen 2.816 N/A GLU 154.A N THR 151.A O no hydrogen 3.222 N/A LEU 155.A N THR 151.A O no hydrogen 2.962 N/A ILE 158.A N GLU 154.A O no hydrogen 3.143 N/A ALA 159.A N LEU 155.A O no hydrogen 3.079 N/A SER 160.A N PRO 156.A O no hydrogen 2.970 N/A SER 160.A OG VAL 157.A O no hydrogen 2.737 N/A LEU 161.A N VAL 157.A O no hydrogen 3.255 N/A GLY 162.A N ALA 159.A O no hydrogen 2.928 N/A ILE 163.A N ILE 158.A O no hydrogen 3.456 N/A VAL 166.A N LEU 24.A O no hydrogen 3.024 N/A VAL 168.A N GLU 22.A O no hydrogen 2.714 N/A ILE 169.A N ILE 33.A O no hydrogen 2.964 N/A ARG 170.A N ALA 20.A O no hydrogen 3.045 N/A ARG 170.A NH1 LYS 171.A O no hydrogen 2.901 N/A ARG 170.A NH1 ASP 239.A OD1 no hydrogen 2.890 N/A ARG 170.A NH2 ASP 239.A OD1 no hydrogen 3.185 N/A ARG 170.A NH2 ASP 239.A OD2 no hydrogen 2.784 N/A ARG 173.A N ASP 239.A OD1 no hydrogen 3.151 N/A ARG 173.A NH1 GLN 237.A O no hydrogen 2.457 N/A VAL 174.A N GLU 213.A O no hydrogen 2.851 N/A ALA 175.A N VAL 240.A O no hydrogen 2.941 N/A LEU 176.A N ILE 215.A O no hydrogen 2.945 N/A PHE 177.A N ILE 242.A O no hydrogen 3.044 N/A SER 178.A N GLY 218.A O no hydrogen 3.254 N/A SER 178.A OG ASP 197.A OD2 no hydrogen 2.854 N/A THR 179.A N GLY 245.A O no hydrogen 3.176 N/A THR 179.A OG1 ILE 220.A O no hydrogen 2.786 N/A LEU 183.A N GLY 180.A O no hydrogen 3.026 N/A GLN 184.A N ILE 195.A O no hydrogen 2.914 N/A GLN 188.A N LEU 185.A O no hydrogen 3.414 N/A GLY 191.A N GLN 194.A OE1 no hydrogen 3.074 N/A ILE 195.A N GLN 182.A O no hydrogen 3.093 N/A TYR 196.A OH GLN 188.A O no hydrogen 2.675 N/A ASP 197.A N GLN 184.A O no hydrogen 3.294 N/A ASN 199.A ND2 SER 244.A O no hydrogen 3.065 N/A ASN 199.A ND2 GLY 293.A O no hydrogen 2.933 N/A ARG 200.A NE ASP 197.A OD2 no hydrogen 2.605 N/A ARG 200.A NH2 ASP 197.A OD2 no hydrogen 3.059 N/A ALA 202.A N THR 198.A O no hydrogen 3.108 N/A VAL 203.A N ASN 199.A O no hydrogen 2.952 N/A HIS 204.A N ARG 200.A O no hydrogen 2.998 N/A LEU 205.A N LEU 201.A O no hydrogen 2.834 N/A MET 206.A N ALA 202.A O no hydrogen 2.933 N/A LEU 207.A N VAL 203.A O no hydrogen 2.863 N/A GLU 208.A N HIS 204.A O no hydrogen 3.063 N/A GLN 209.A N LEU 205.A O no hydrogen 3.128 N/A LEU 210.A N MET 206.A O no hydrogen 2.915 N/A GLY 211.A N GLU 208.A O no hydrogen 3.252 N/A CYS 212.A N LEU 207.A O no hydrogen 2.984 N/A GLU 213.A N VAL 172.A O no hydrogen 2.918 N/A ILE 215.A N VAL 174.A O no hydrogen 2.980 N/A LEU 217.A N LEU 176.A O no hydrogen 2.835 N/A ILE 220.A N SER 178.A O no hydrogen 2.792 N/A HIS 225.A N ASP 223.A OD2 no hydrogen 3.000 N/A ALA 226.A N ASP 223.A OD2 no hydrogen 3.337 N/A LEU 227.A N ASP 223.A O no hydrogen 3.179 N/A ARG 228.A N PRO 224.A O no hydrogen 3.033 N/A ALA 229.A N HIS 225.A O no hydrogen 3.101 N/A ALA 230.A N ALA 226.A O no hydrogen 3.136 N/A PHE 231.A N LEU 227.A O no hydrogen 3.050 N/A ILE 232.A N ARG 228.A O no hydrogen 2.979 N/A GLU 233.A N ALA 229.A O no hydrogen 2.946 N/A ALA 234.A N ALA 230.A O no hydrogen 2.863 N/A ASP 235.A N PHE 231.A O no hydrogen 2.956 N/A SER 236.A N ILE 232.A O no hydrogen 3.243 N/A SER 236.A N GLU 233.A O no hydrogen 3.134 N/A SER 236.A OG ILE 232.A O no hydrogen 3.319 N/A SER 236.A OG GLU 233.A O no hydrogen 2.773 N/A GLN 237.A N ALA 234.A O no hydrogen 3.114 N/A ASP 239.A N ARG 173.A O no hydrogen 2.876 N/A VAL 240.A N ARG 173.A O no hydrogen 3.370 N/A VAL 241.A N TRP 287.A O no hydrogen 2.747 N/A ILE 242.A N ALA 175.A O no hydrogen 2.778 N/A SER 243.A N CYS 289.A O no hydrogen 3.051 N/A SER 244.A N PHE 177.A O no hydrogen 2.954 N/A SER 244.A OG PHE 177.A O no hydrogen 3.514 N/A GLY 245.A N SER 243.A OG no hydrogen 3.369 N/A SER 248.A N THR 255.A OG1 no hydrogen 2.880 N/A SER 248.A OG GLU 251.A O no hydrogen 2.694 N/A GLY 250.A N SER 248.A OG no hydrogen 2.956 N/A TYR 254.A OH ASP 222.A OD1 no hydrogen 2.512 N/A THR 255.A OG1 ASP 253.A OD1 no hydrogen 2.573 N/A THR 255.A OG1 ASP 253.A OD2 no hydrogen 3.344 N/A LYS 256.A N ASP 253.A OD1 no hydrogen 3.192 N/A LYS 256.A NZ GLY 250.A O no hydrogen 3.054 N/A THR 257.A N ASP 253.A O no hydrogen 3.280 N/A ILE 258.A N TYR 254.A O no hydrogen 3.239 N/A LEU 259.A N THR 255.A O no hydrogen 3.223 N/A GLU 260.A N LYS 256.A O no hydrogen 3.017 N/A GLU 261.A N THR 257.A O no hydrogen 3.103 N/A LEU 262.A N LEU 259.A O no hydrogen 2.996 N/A GLY 263.A N LEU 259.A O no hydrogen 3.004 N/A ALA 266.A N PHE 280.A O no hydrogen 2.787 N/A TRP 268.A N PHE 278.A O no hydrogen 2.894 N/A LEU 270.A N LYS 276.A O no hydrogen 2.847 N/A LYS 273.A N LEU 340.A O no hydrogen 2.934 N/A PHE 278.A N TRP 268.A O no hydrogen 3.232 N/A ALA 279.A N GLY 290.A O no hydrogen 3.167 N/A PHE 280.A N ALA 266.A O no hydrogen 2.965 N/A LYS 282.A N GLU 264.A O no hydrogen 2.974 N/A LEU 283.A N SER 286.A O no hydrogen 2.921 N/A ASN 285.A N ASP 235.A OD2 no hydrogen 2.782 N/A ASN 285.A ND2 ASP 235.A OD1 no hydrogen 3.222 N/A SER 286.A OG ASP 235.A OD2 no hydrogen 2.637 N/A TRP 287.A N ASP 239.A O no hydrogen 2.984 N/A PHE 288.A N GLY 281.A O no hydrogen 2.881 N/A CYS 289.A N VAL 241.A O no hydrogen 2.998 N/A GLY 290.A N ALA 279.A O no hydrogen 2.964 N/A LEU 291.A N SER 243.A O no hydrogen 2.957 N/A ASN 294.A ND2 SER 297.A OG no hydrogen 2.797 N/A ALA 298.A N ASN 294.A O no hydrogen 2.878 N/A THR 299.A N PRO 295.A O no hydrogen 2.718 N/A THR 299.A OG1 PRO 295.A O no hydrogen 3.176 N/A LEU 300.A N VAL 296.A O no hydrogen 2.750 N/A THR 301.A N SER 297.A O no hydrogen 2.831 N/A THR 301.A OG1 SER 297.A O no hydrogen 2.579 N/A PHE 302.A N ALA 298.A O no hydrogen 3.098 N/A TYR 303.A N THR 299.A O no hydrogen 3.132 N/A GLN 304.A N LEU 300.A O no hydrogen 3.049 N/A GLN 304.A NE2 GLU 396.A OE1 no hydrogen 3.251 N/A GLN 304.A NE2 GLU 396.A OE2 no hydrogen 3.043 N/A LEU 305.A N THR 301.A O no hydrogen 3.076 N/A VAL 306.A N PHE 302.A O no hydrogen 2.872 N/A GLN 307.A N PHE 302.A O no hydrogen 2.868 N/A LEU 309.A N LEU 305.A O no hydrogen 3.437 N/A LEU 310.A N VAL 306.A O no hydrogen 2.984 N/A ALA 311.A N GLN 307.A O no hydrogen 3.115 N/A LYS 312.A N PRO 308.A O no hydrogen 3.132 N/A LYS 312.A NZ LEU 12.A O no hydrogen 2.599 N/A LYS 312.A NZ VAL 15.A O no hydrogen 2.948 N/A LEU 313.A N LEU 309.A O no hydrogen 2.956 N/A SER 314.A N LEU 310.A O no hydrogen 2.931 N/A SER 314.A N ALA 311.A O no hydrogen 3.210 N/A SER 314.A OG LEU 310.A O no hydrogen 3.389 N/A SER 314.A OG ALA 311.A O no hydrogen 2.559 N/A GLY 315.A N LYS 312.A O no hydrogen 3.138 N/A THR 317.A N GLY 147.A O no hydrogen 3.107 N/A THR 317.A OG1 GLY 147.A O no hydrogen 3.355 N/A ARG 324.A NE GLU 396.A OE1 no hydrogen 3.306 N/A GLN 325.A N VAL 395.A O no hydrogen 2.894 N/A VAL 327.A N VAL 393.A O no hydrogen 2.983 N/A ARG 328.A NH1 GLU 354.A OE2 no hydrogen 3.022 N/A ARG 328.A NH2 GLU 354.A OE2 no hydrogen 3.119 N/A THR 329.A N GLU 391.A O no hydrogen 3.212 N/A THR 329.A OG1 GLU 391.A O no hydrogen 2.906 N/A ALA 330.A N VAL 357.A O no hydrogen 2.986 N/A SER 331.A OG ALA 330.A O no hydrogen 3.511 N/A LEU 333.A N VAL 387.A O no hydrogen 2.819 N/A LYS 335.A N ASN 386.A OD1 no hydrogen 3.128 N/A LYS 335.A NZ THR 336.A O no hydrogen 3.450 N/A LYS 335.A NZ ARG 339.A O no hydrogen 2.398 N/A LYS 335.A NZ GLU 381.A O no hydrogen 3.084 N/A LYS 335.A NZ ARG 382.A O no hydrogen 3.019 N/A GLY 338.A N ARG 382.A O no hydrogen 3.126 N/A LEU 340.A N ALA 271.A O no hydrogen 2.907 N/A ASP 341.A N LEU 380.A O no hydrogen 3.166 N/A PHE 342.A N LYS 273.A O no hydrogen 2.940 N/A GLN 343.A N ILE 378.A O no hydrogen 3.021 N/A GLN 343.A NE2 LYS 334.A O no hydrogen 2.935 N/A GLN 343.A NE2 ASP 341.A OD2 no hydrogen 2.689 N/A ARG 344.A N GLN 363.A OE1 no hydrogen 2.863 N/A ARG 344.A NH1 GLN 363.A O no hydrogen 3.359 N/A ARG 344.A NH2 PHE 342.A O no hydrogen 3.246 N/A GLY 345.A N CYS 376.A O no hydrogen 2.851 N/A VAL 346.A N THR 358.A O no hydrogen 2.852 N/A LEU 347.A N ASN 375.A OD1 no hydrogen 2.954 N/A GLN 348.A N GLU 356.A O no hydrogen 2.930 N/A ASN 350.A N GLU 354.A O no hydrogen 2.833 N/A GLY 353.A N ASN 350.A O no hydrogen 3.149 N/A GLU 354.A N ASN 350.A OD1 no hydrogen 3.121 N/A GLU 356.A N GLN 348.A O no hydrogen 2.918 N/A VAL 357.A N ARG 328.A O no hydrogen 3.164 N/A THR 358.A N VAL 346.A O no hydrogen 2.934 N/A THR 359.A OG1 GLY 361.A O no hydrogen 3.511 N/A THR 360.A OG1 ARG 344.A O no hydrogen 3.345 N/A GLN 363.A NE2 ARG 344.A O no hydrogen 3.440 N/A GLN 363.A NE2 GLY 361.A O no hydrogen 3.386 N/A PHE 371.A N PHE 368.A O no hydrogen 3.298 N/A SER 372.A N SER 369.A O no hydrogen 3.276 N/A LEU 373.A N SER 369.A O no hydrogen 3.003 N/A GLY 374.A N SER 370.A O no hydrogen 2.940 N/A ASN 375.A N GLY 345.A O no hydrogen 2.918 N/A ASN 375.A ND2 LEU 347.A O no hydrogen 3.147 N/A CYS 376.A N GLY 345.A O no hydrogen 3.245 N/A CYS 376.A SG ASN 375.A OD1 no hydrogen 3.650 N/A PHE 377.A N GLU 396.A O no hydrogen 2.883 N/A ILE 378.A N GLN 343.A O no hydrogen 2.903 N/A VAL 379.A N GLU 394.A O no hydrogen 2.992 N/A LEU 380.A N ASP 341.A O no hydrogen 2.967 N/A GLU 381.A N GLU 381.A OE1 no hydrogen 2.706 N/A ARG 382.A NE GLY 338.A O no hydrogen 3.066 N/A ARG 384.A N GLU 381.A O no hydrogen 3.387 N/A ARG 384.A NH1 GLU 381.A OE1 no hydrogen 3.127 N/A ARG 384.A NH1 TRP 392.A O no hydrogen 2.990 N/A ARG 384.A NH2 GLU 391.A OE1 no hydrogen 3.161 N/A ARG 384.A NH2 TRP 392.A O no hydrogen 2.964 N/A GLU 388.A N GLU 391.A OE2 no hydrogen 2.866 N/A GLY 390.A N THR 329.A O no hydrogen 2.767 N/A GLU 391.A N GLU 388.A O no hydrogen 3.178 N/A VAL 393.A N VAL 327.A O no hydrogen 2.717 N/A GLU 396.A N PHE 377.A O no hydrogen 2.917 N/A PHE 398.A N ASN 375.A O no hydrogen 2.982 N/A ASN 399.A N TYR 303.A OH no hydrogen 3.166 N/A LEU 401.A N ASN 399.A OD1 no hydrogen 3.108 N/A PHE 402.A N ASN 399.A O no hydrogen 3.057 N/A GLY 403.A N ASN 399.A O no hydrogen 3.192 N/A