Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bxw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N LEU 30.A O no hydrogen 2.948 N/A LYS 5.A NZ GLU 31.A OE1 no hydrogen 2.916 N/A LYS 5.A NZ GLU 31.A OE2 no hydrogen 3.325 N/A SER 9.A N TYR 35.A O no hydrogen 3.025 N/A SER 9.A OG SER 34.A O no hydrogen 3.440 N/A SER 9.A OG SER 34.A OG no hydrogen 2.632 N/A VAL 13.A N ASP 358.A OD2 no hydrogen 3.298 N/A ASP 15.A N PRO 12.A O no hydrogen 2.740 N/A ARG 16.A N VAL 13.A O no hydrogen 3.223 N/A ARG 16.A NH1 LYS 11.A O no hydrogen 3.051 N/A ARG 16.A NH1 SER 34.A O no hydrogen 3.375 N/A LEU 18.A N VAL 13.A O no hydrogen 3.323 N/A SER 27.A N LYS 24.A O no hydrogen 2.944 N/A VAL 28.A N LYS 24.A O no hydrogen 3.470 N/A VAL 29.A N ALA 25.A O no hydrogen 3.097 N/A LEU 30.A N GLU 26.A O no hydrogen 2.928 N/A GLU 31.A N SER 27.A O no hydrogen 3.100 N/A GLU 31.A N VAL 28.A O no hydrogen 3.216 N/A HIS 32.A N VAL 28.A O no hydrogen 2.872 N/A ARG 33.A NE GLU 4.A OE2 no hydrogen 2.807 N/A SER 34.A N GLU 31.A O no hydrogen 2.716 N/A SER 34.A OG GLN 7.A O no hydrogen 2.736 N/A SER 34.A OG SER 9.A OG no hydrogen 2.632 N/A TYR 35.A N ARG 33.A O no hydrogen 3.070 N/A CYS 36.A N ASP 358.A OD1 no hydrogen 2.900 N/A CYS 36.A N ASP 358.A OD2 no hydrogen 3.295 N/A CYS 36.A SG SER 9.A O no hydrogen 3.630 N/A CYS 36.A SG ASP 10.A O no hydrogen 3.288 N/A LYS 39.A N CYS 36.A O no hydrogen 3.359 N/A LYS 39.A NZ ASP 10.A O no hydrogen 3.205 N/A ALA 40.A N SER 37.A O no hydrogen 3.147 N/A ASP 42.A N LYS 39.A O no hydrogen 3.322 N/A ARG 43.A NH2 GLY 47.A O no hydrogen 2.659 N/A HIS 44.A N LEU 360.A O no hydrogen 3.104 N/A HIS 44.A N LEU 360.A OXT no hydrogen 3.136 N/A PHE 45.A N LEU 360.A O no hydrogen 3.133 N/A VAL 49.A N THR 72.A OG1 no hydrogen 3.007 N/A LEU 50.A N VAL 344.A O no hydrogen 2.640 N/A GLY 51.A N GLN 73.A O no hydrogen 2.824 N/A TYR 52.A N ILE 346.A O no hydrogen 3.134 N/A TYR 52.A OH SER 224.A OG no hydrogen 2.608 N/A VAL 53.A N SER 75.A O no hydrogen 3.070 N/A THR 54.A OG1 GLU 348.A OE1 no hydrogen 2.993 N/A THR 54.A OG1 GLU 348.A OE2 no hydrogen 2.869 N/A ASN 57.A N THR 54.A O no hydrogen 3.429 N/A ASN 57.A ND2 GLU 348.A OE1 no hydrogen 3.001 N/A HIS 59.A NE2 ASP 354.A OD1 no hydrogen 3.124 N/A GLY 60.A N ASN 57.A O no hydrogen 2.877 N/A TYR 61.A N SER 58.A O no hydrogen 3.085 N/A VAL 63.A N HIS 59.A O no hydrogen 2.993 N/A THR 64.A N GLY 60.A O no hydrogen 3.007 N/A THR 64.A OG1 GLY 60.A O no hydrogen 2.749 N/A LYS 65.A N ASP 62.A O no hydrogen 3.035 N/A VAL 66.A N ASP 62.A O no hydrogen 3.147 N/A PHE 67.A N VAL 63.A O no hydrogen 2.815 N/A SER 69.A OG HIS 108.A O no hydrogen 3.394 N/A LYS 70.A N PHE 67.A O no hydrogen 2.909 N/A LYS 70.A NZ ASP 42.A O no hydrogen 2.734 N/A LYS 70.A NZ LEU 360.A OXT no hydrogen 2.906 N/A PHE 71.A N GLY 68.A O no hydrogen 3.039 N/A THR 72.A N VAL 49.A O no hydrogen 2.989 N/A THR 72.A OG1 VAL 49.A O no hydrogen 3.121 N/A GLN 73.A N VAL 49.A O no hydrogen 3.320 N/A ILE 74.A N HIS 113.A O no hydrogen 2.890 N/A SER 75.A N GLY 51.A O no hydrogen 2.733 N/A SER 75.A OG VAL 115.A O no hydrogen 2.849 N/A VAL 77.A N VAL 53.A O no hydrogen 2.693 N/A TRP 78.A NE1 TYR 61.A OH no hydrogen 2.836 N/A GLN 80.A N THR 92.A O no hydrogen 3.061 N/A GLN 80.A NE2 TRP 78.A O no hydrogen 2.815 N/A LEU 81.A N LEU 119.A O no hydrogen 2.675 N/A LYS 82.A N GLU 90.A O no hydrogen 2.845 N/A LYS 82.A NZ GLU 121.A OE1 no hydrogen 3.394 N/A LYS 82.A NZ ASP 122.A OD1 no hydrogen 3.016 N/A ARG 83.A NE GLU 137.A OE1 no hydrogen 2.985 N/A ARG 83.A NH1 ASP 127.A OD1 no hydrogen 3.337 N/A ARG 83.A NH2 GLU 137.A OE1 no hydrogen 2.446 N/A ARG 83.A NH2 GLU 137.A OE2 no hydrogen 3.436 N/A ARG 84.A N MET 88.A O no hydrogen 2.871 N/A ARG 84.A NH2 GLU 90.A OE2 no hydrogen 2.762 N/A GLY 85.A N MET 88.A O no hydrogen 3.183 N/A ARG 86.A NH1 ASN 130.A OD1 no hydrogen 2.649 N/A GLU 87.A N GLU 137.A OE1 no hydrogen 2.865 N/A MET 88.A N GLY 85.A O no hydrogen 2.566 N/A GLU 90.A N LYS 82.A O no hydrogen 2.749 N/A THR 92.A N GLN 80.A O no hydrogen 2.899 N/A THR 92.A OG1 GLN 80.A O no hydrogen 3.504 N/A THR 92.A OG1 GLN 80.A OE1 no hydrogen 2.886 N/A ASP 96.A N GLY 93.A O no hydrogen 2.820 N/A VAL 97.A N LEU 94.A O no hydrogen 3.226 N/A TRP 101.A N ASP 98.A OD1 no hydrogen 2.784 N/A TRP 101.A NE1 TYR 61.A O no hydrogen 2.949 N/A MET 102.A N ASP 98.A O no hydrogen 3.070 N/A ARG 103.A N GLN 99.A O no hydrogen 2.991 N/A ALA 104.A N GLY 100.A O no hydrogen 3.047 N/A VAL 105.A N TRP 101.A O no hydrogen 2.965 N/A ARG 106.A N MET 102.A O no hydrogen 3.045 N/A ARG 106.A NH1 HIS 153.A O no hydrogen 3.494 N/A ARG 106.A NH2 HIS 153.A O no hydrogen 2.660 N/A LYS 107.A N ARG 103.A O no hydrogen 3.045 N/A LYS 107.A N ALA 104.A O no hydrogen 2.991 N/A ALA 109.A N ARG 106.A O no hydrogen 3.407 N/A LYS 110.A NZ ARG 106.A O no hydrogen 3.510 N/A LEU 112.A N ALA 109.A O no hydrogen 3.250 N/A HIS 113.A N THR 72.A O no hydrogen 3.009 N/A ILE 114.A N ASP 155.A OD2 no hydrogen 2.679 N/A VAL 115.A N ILE 74.A O no hydrogen 2.854 N/A ARG 117.A N PRO 76.A O no hydrogen 2.995 N/A LEU 118.A N VAL 158.A O no hydrogen 2.893 N/A LEU 119.A N LEU 79.A O no hydrogen 3.273 N/A PHE 120.A N GLU 160.A O no hydrogen 3.285 N/A GLU 121.A N LEU 81.A O no hydrogen 3.259 N/A TRP 123.A NE1 LEU 81.A O no hydrogen 2.925 N/A THR 124.A N ASP 127.A OD2 no hydrogen 2.629 N/A THR 124.A OG1 ASP 127.A OD2 no hydrogen 2.465 N/A ASP 127.A N THR 124.A OG1 no hydrogen 3.038 N/A PHE 128.A N THR 124.A O no hydrogen 3.191 N/A ARG 129.A N TYR 125.A O no hydrogen 2.939 N/A ASN 130.A N ASP 126.A O no hydrogen 2.650 N/A VAL 131.A N ASP 127.A O no hydrogen 2.838 N/A LEU 132.A N PHE 128.A O no hydrogen 2.648 N/A SER 134.A N VAL 131.A O no hydrogen 3.059 N/A GLU 137.A N SER 134.A OG no hydrogen 3.086 N/A ILE 138.A N SER 134.A O no hydrogen 2.989 N/A GLU 139.A N GLU 135.A O no hydrogen 3.013 N/A GLU 140.A N ASP 136.A O no hydrogen 3.065 N/A LEU 141.A N GLU 137.A O no hydrogen 2.898 N/A SER 142.A N ILE 138.A O no hydrogen 2.969 N/A SER 142.A OG ILE 138.A O no hydrogen 3.113 N/A LYS 143.A N GLU 139.A O no hydrogen 3.042 N/A THR 144.A N GLU 140.A O no hydrogen 3.094 N/A THR 144.A OG1 GLU 140.A O no hydrogen 3.092 N/A VAL 145.A N LEU 141.A O no hydrogen 3.239 N/A VAL 146.A N SER 142.A O no hydrogen 2.999 N/A GLN 147.A N LYS 143.A O no hydrogen 3.075 N/A VAL 148.A N THR 144.A O no hydrogen 3.311 N/A ALA 149.A N VAL 145.A O no hydrogen 3.207 N/A LYS 150.A N VAL 146.A O no hydrogen 2.962 N/A ASN 151.A N GLN 147.A O no hydrogen 2.813 N/A GLN 152.A N VAL 148.A O no hydrogen 3.027 N/A PHE 154.A N ALA 149.A O no hydrogen 2.990 N/A ASP 155.A N ILE 114.A O no hydrogen 2.806 N/A PHE 157.A N LEU 189.A O no hydrogen 3.177 N/A VAL 158.A N PRO 116.A O no hydrogen 2.937 N/A VAL 159.A N LEU 191.A O no hydrogen 2.742 N/A GLU 160.A N LEU 118.A O no hydrogen 2.917 N/A TRP 162.A NE1 MET 207.A O no hydrogen 3.029 N/A ILE 173.A N ARG 169.A O no hydrogen 2.612 N/A MET 175.A N GLY 171.A O no hydrogen 3.272 N/A LEU 176.A N LEU 172.A O no hydrogen 3.033 N/A THR 177.A N ILE 173.A O no hydrogen 2.944 N/A THR 177.A OG1 ILE 173.A O no hydrogen 2.787 N/A HIS 178.A N HIS 174.A O no hydrogen 3.061 N/A LEU 179.A N MET 175.A O no hydrogen 3.105 N/A ALA 180.A N LEU 176.A O no hydrogen 2.878 N/A GLU 181.A N THR 177.A O no hydrogen 2.920 N/A ALA 182.A N HIS 178.A O no hydrogen 2.928 N/A LEU 183.A N LEU 179.A O no hydrogen 2.880 N/A HIS 184.A N ALA 180.A O no hydrogen 2.810 N/A HIS 184.A NE2 ASP 221.A OD2 no hydrogen 2.807 N/A GLN 185.A N GLU 181.A O no hydrogen 2.889 N/A ALA 186.A N ALA 182.A O no hydrogen 3.252 N/A ALA 186.A N LEU 183.A O no hydrogen 2.961 N/A ARG 187.A N HIS 184.A O no hydrogen 3.017 N/A LEU 188.A N LEU 183.A O no hydrogen 2.851 N/A LEU 189.A N ASP 155.A O no hydrogen 2.772 N/A ALA 190.A N ASP 221.A OD2 no hydrogen 2.520 N/A LEU 191.A N PHE 157.A O no hydrogen 2.952 N/A LEU 192.A N GLY 222.A O no hydrogen 3.140 N/A VAL 193.A N VAL 159.A O no hydrogen 2.904 N/A ILE 194.A N SER 224.A O no hydrogen 3.048 N/A THR 199.A N GLN 204.A O no hydrogen 2.824 N/A THR 202.A N THR 199.A O no hydrogen 3.009 N/A GLY 206.A N ALA 197.A O no hydrogen 2.679 N/A THR 209.A N GLU 212.A OE1 no hydrogen 2.783 N/A THR 209.A OG1 GLU 212.A OE1 no hydrogen 2.872 N/A LYS 211.A N THR 209.A OG1 no hydrogen 3.335 N/A PHE 213.A N THR 209.A O no hydrogen 2.962 N/A GLU 214.A N HIS 210.A O no hydrogen 3.026 N/A GLN 215.A N GLU 212.A O no hydrogen 3.009 N/A GLN 215.A NE2 LYS 211.A O no hydrogen 3.076 N/A LEU 216.A N GLU 212.A O no hydrogen 3.088 N/A ALA 217.A N PHE 213.A O no hydrogen 2.599 N/A VAL 219.A N LEU 216.A O no hydrogen 2.986 N/A LEU 220.A N LEU 216.A O no hydrogen 2.939 N/A ASP 221.A N ALA 190.A O no hydrogen 2.928 N/A PHE 223.A N LYS 261.A O no hydrogen 2.870 N/A SER 224.A N LEU 192.A O no hydrogen 2.958 N/A SER 224.A OG TYR 52.A OH no hydrogen 2.608 N/A LEU 225.A N LEU 263.A O no hydrogen 3.158 N/A MET 226.A N ILE 194.A O no hydrogen 3.035 N/A THR 227.A OG1 LEU 225.A O no hydrogen 3.523 N/A THR 227.A OG1 GLY 265.A O no hydrogen 2.873 N/A TYR 230.A N ASN 239.A O no hydrogen 2.741 N/A SER 231.A OG PRO 238.A O no hydrogen 2.896 N/A THR 232.A N GLN 235.A O no hydrogen 3.478 N/A GLN 235.A N THR 232.A OG1 no hydrogen 3.074 N/A ASN 239.A N GLU 307.A OE1 no hydrogen 3.095 N/A ALA 240.A N GLU 307.A OE2 no hydrogen 2.779 N/A LEU 242.A N ALA 305.A O no hydrogen 3.041 N/A TRP 244.A N PRO 241.A O no hydrogen 2.862 N/A TRP 244.A NE1 ILE 198.A O no hydrogen 2.931 N/A VAL 245.A N PRO 241.A O no hydrogen 3.042 N/A ARG 246.A N LEU 242.A O no hydrogen 2.992 N/A ALA 247.A N SER 243.A O no hydrogen 3.002 N/A CYS 248.A N TRP 244.A O no hydrogen 2.840 N/A CYS 248.A SG TRP 244.A O no hydrogen 3.305 N/A VAL 249.A N ARG 246.A O no hydrogen 3.225 N/A GLN 250.A N ARG 246.A O no hydrogen 3.100 N/A VAL 251.A N ALA 247.A O no hydrogen 2.893 N/A LEU 252.A N VAL 249.A O no hydrogen 2.972 N/A ASP 253.A N VAL 249.A O no hydrogen 2.898 N/A SER 256.A N ASP 253.A O no hydrogen 3.183 N/A LYS 257.A N ASP 253.A OD1 no hydrogen 3.078 N/A TRP 258.A N ASP 253.A OD2 no hydrogen 2.862 N/A ARG 259.A NE ASP 253.A O no hydrogen 2.927 N/A ARG 259.A NH1 LEU 340.A O no hydrogen 2.752 N/A ARG 259.A NH2 ASP 253.A O no hydrogen 2.662 N/A LYS 261.A N TRP 258.A O no hydrogen 2.900 N/A LYS 261.A NZ ALA 217.A O no hydrogen 2.603 N/A LYS 261.A NZ LEU 220.A O no hydrogen 3.046 N/A ILE 262.A N ARG 259.A O no hydrogen 2.941 N/A LEU 263.A N PHE 223.A O no hydrogen 2.889 N/A LEU 264.A N GLY 343.A O no hydrogen 2.764 N/A LEU 266.A N SER 345.A O no hydrogen 2.720 N/A ASN 267.A ND2 TYR 269.A O no hydrogen 2.793 N/A PHE 268.A N TRP 347.A O no hydrogen 3.264 N/A GLY 270.A N VAL 283.A O no hydrogen 2.808 N/A MET 271.A N PHE 323.A O no hydrogen 2.874 N/A ASP 272.A N GLU 281.A O no hydrogen 2.789 N/A TYR 273.A N VAL 321.A O no hydrogen 2.751 N/A ALA 274.A N ALA 279.A O no hydrogen 2.968 N/A THR 275.A N ARG 319.A O no hydrogen 3.137 N/A THR 275.A OG1 ARG 319.A O no hydrogen 3.337 N/A LYS 277.A NZ SER 317.A O no hydrogen 3.033 N/A ARG 280.A NH1 SER 231.A O no hydrogen 2.833 N/A ARG 280.A NH2 ASP 229.A OD1 no hydrogen 2.775 N/A GLU 281.A N ASP 272.A O no hydrogen 3.031 N/A VAL 283.A N GLY 270.A O no hydrogen 2.739 N/A GLY 285.A N GLN 351.A O no hydrogen 2.739 N/A ARG 287.A NH1 GLU 281.A OE1 no hydrogen 2.974 N/A ARG 287.A NH2 ASP 272.A OD1 no hydrogen 2.902 N/A ARG 287.A NH2 GLU 281.A OE1 no hydrogen 3.150 N/A TYR 288.A N VAL 284.A O no hydrogen 2.988 N/A ILE 289.A N GLY 285.A O no hydrogen 2.991 N/A GLN 290.A N ALA 286.A O no hydrogen 3.184 N/A GLN 290.A NE2 ASP 294.A OD1 no hydrogen 2.875 N/A THR 291.A N ARG 287.A O no hydrogen 2.782 N/A THR 291.A OG1 ARG 287.A O no hydrogen 2.865 N/A LEU 292.A N TYR 288.A O no hydrogen 2.994 N/A LYS 293.A N ILE 289.A O no hydrogen 3.045 N/A LYS 293.A NZ GLU 4.A OE1 no hydrogen 3.007 N/A ASP 294.A N GLN 290.A O no hydrogen 2.864 N/A HIS 295.A N THR 291.A O no hydrogen 3.037 N/A HIS 295.A ND1 THR 291.A O no hydrogen 3.275 N/A ARG 296.A N LEU 292.A O no hydrogen 2.712 N/A VAL 300.A N PHE 309.A O no hydrogen 2.799 N/A ASP 302.A N GLU 307.A O no hydrogen 2.781 N/A GLN 304.A N ASP 302.A OD1 no hydrogen 2.886 N/A ALA 305.A N ASP 302.A OD1 no hydrogen 2.903 N/A SER 306.A N ASP 302.A O no hydrogen 2.665 N/A SER 306.A OG SER 303.A O no hydrogen 3.320 N/A GLU 307.A N ASP 302.A O no hydrogen 3.252 N/A HIS 308.A ND1 THR 326.A OG1 no hydrogen 2.632 N/A HIS 308.A NE2 THR 21.A O no hydrogen 2.964 N/A PHE 309.A N VAL 300.A O no hydrogen 2.831 N/A PHE 310.A N VAL 322.A O no hydrogen 3.196 N/A TYR 312.A N HIS 320.A O no hydrogen 3.403 N/A TYR 312.A OH ASP 272.A OD1 no hydrogen 2.679 N/A LYS 314.A N GLY 318.A O no hydrogen 2.718 N/A GLY 318.A N LYS 314.A O no hydrogen 3.200 N/A HIS 320.A N TYR 312.A O no hydrogen 2.818 N/A HIS 320.A ND1 TYR 273.A O no hydrogen 2.900 N/A VAL 321.A N TYR 273.A O no hydrogen 2.942 N/A VAL 322.A N PHE 310.A O no hydrogen 2.970 N/A PHE 323.A N MET 271.A O no hydrogen 2.950 N/A TYR 324.A OH GLN 351.A O no hydrogen 2.710 N/A THR 326.A N SER 329.A OG no hydrogen 2.896 N/A THR 326.A OG1 HIS 308.A ND1 no hydrogen 2.632 N/A SER 329.A N THR 326.A OG1 no hydrogen 3.225 N/A SER 329.A OG THR 326.A O no hydrogen 2.994 N/A LEU 330.A N THR 326.A O no hydrogen 2.879 N/A GLN 331.A N LEU 327.A O no hydrogen 2.926 N/A GLN 331.A NE2 GLU 335.A OE2 no hydrogen 3.324 N/A VAL 332.A N LYS 328.A O no hydrogen 3.126 N/A ARG 333.A N LEU 330.A O no hydrogen 2.933 N/A ARG 333.A NE ALA 240.A O no hydrogen 3.349 N/A ARG 333.A NH1 SER 306.A O no hydrogen 3.045 N/A ARG 333.A NH1 SER 329.A O no hydrogen 2.754 N/A ARG 333.A NH2 ALA 240.A O no hydrogen 2.584 N/A ARG 333.A NH2 ALA 305.A O no hydrogen 2.974 N/A ARG 333.A NH2 SER 306.A O no hydrogen 3.335 N/A LEU 334.A N LEU 330.A O no hydrogen 2.971 N/A LEU 334.A N GLN 331.A O no hydrogen 3.230 N/A GLU 335.A N GLN 331.A O no hydrogen 2.983 N/A LEU 336.A N VAL 332.A O no hydrogen 3.095 N/A ALA 337.A N ARG 333.A O no hydrogen 2.977 N/A ARG 338.A N LEU 334.A O no hydrogen 3.006 N/A GLU 339.A N GLU 335.A O no hydrogen 2.785 N/A LEU 340.A N LEU 336.A O no hydrogen 2.739 N/A GLY 341.A N ARG 338.A O no hydrogen 3.137 N/A VAL 342.A N ALA 337.A O no hydrogen 2.915 N/A GLY 343.A N ILE 262.A O no hydrogen 2.685 N/A VAL 344.A N ASP 48.A O no hydrogen 2.730 N/A SER 345.A N LEU 264.A O no hydrogen 2.801 N/A SER 345.A OG LEU 263.A O no hydrogen 3.183 N/A ILE 346.A N LEU 50.A O no hydrogen 2.776 N/A TRP 347.A N LEU 266.A O no hydrogen 2.889 N/A GLN 351.A N GLU 348.A O no hydrogen 3.184 N/A TYR 355.A N HIS 32.A O no hydrogen 2.936 N/A PHE 356.A N LEU 353.A O no hydrogen 2.953 N/A ASP 358.A N TYR 355.A O no hydrogen 3.274 N/A LEU 359.A N PHE 356.A O no hydrogen 2.880 N/A LEU 360.A N TYR 357.A O no hydrogen 3.133 N/A