Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4b3v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N PHE 322.A O no hydrogen 2.958 N/A THR 4.A N LEU 320.A O no hydrogen 3.155 N/A LEU 6.A N LEU 318.A O no hydrogen 2.871 N/A THR 8.A OG1 PRO 315.A O no hydrogen 2.753 N/A CYS 12.A N ALA 9.A O no hydrogen 3.143 N/A CYS 12.A SG ALA 9.A O no hydrogen 3.308 N/A THR 14.A N VAL 20.A O no hydrogen 2.933 N/A THR 14.A OG1 VAL 20.A O no hydrogen 3.433 N/A GLN 15.A NE2 ALA 13.A O no hydrogen 3.461 N/A VAL 20.A N THR 14.A O no hydrogen 3.079 N/A ARG 21.A N SER 169.A O no hydrogen 2.957 N/A LEU 22.A N CYS 12.A O no hydrogen 3.012 N/A ALA 23.A N GLN 167.A O no hydrogen 2.776 N/A GLY 24.A N GLN 167.A O no hydrogen 3.324 N/A ARG 26.A N VAL 165.A O no hydrogen 2.886 N/A GLU 28.A N ARG 163.A O no hydrogen 2.836 N/A SER 29.A OG HIS 159.A ND1 no hydrogen 2.657 N/A LYS 30.A N THR 160.A O no hydrogen 2.756 N/A ILE 31.A N ASN 388.A OD1 no hydrogen 2.860 N/A VAL 32.A N PHE 158.A O no hydrogen 2.764 N/A ASP 33.A N GLN 347.A O no hydrogen 2.801 N/A GLY 34.A N VAL 156.A O no hydrogen 2.981 N/A GLY 35.A N ASP 33.A OD1 no hydrogen 3.000 N/A CYS 36.A N SER 235.A O no hydrogen 2.769 N/A PHE 37.A N VAL 154.A O no hydrogen 2.821 N/A ALA 38.A N ARG 233.A O no hydrogen 3.104 N/A TRP 40.A N GLN 232.A OE1 no hydrogen 2.808 N/A GLU 43.A N SER 145.A O no hydrogen 2.936 N/A THR 45.A N LEU 143.A O no hydrogen 2.830 N/A GLY 46.A N THR 45.A OG1 no hydrogen 2.864 N/A ALA 47.A N PHE 141.A O no hydrogen 2.959 N/A ILE 49.A N SER 139.A O no hydrogen 2.776 N/A ILE 52.A N GLU 51.A OE2 no hydrogen 2.879 N/A SER 57.A N ASP 55.A O no hydrogen 3.230 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.793 N/A GLY 60.A N SER 57.A OG no hydrogen 3.168 N/A LEU 61.A N SER 57.A O no hydrogen 2.929 N/A GLY 62.A N GLU 59.A O no hydrogen 3.301 N/A TRP 64.A N LEU 61.A O no hydrogen 2.952 N/A VAL 65.A N LEU 61.A O no hydrogen 2.902 N/A CYS 70.A N PRO 66.A O no hydrogen 3.121 N/A ALA 71.A N THR 67.A O no hydrogen 3.211 N/A ARG 72.A N ALA 68.A O no hydrogen 3.078 N/A ILE 73.A N PRO 69.A O no hydrogen 2.856 N/A TRP 74.A N CYS 70.A O no hydrogen 2.827 N/A ASN 75.A N ALA 71.A O no hydrogen 3.366 N/A GLY 76.A N ILE 73.A O no hydrogen 3.055 N/A THR 77.A N TYR 146.A O no hydrogen 2.879 N/A GLN 78.A NE2 PRO 246.A O no hydrogen 3.007 N/A ARG 79.A NH1 TRP 74.A O no hydrogen 3.193 N/A ALA 80.A N ALA 144.A O no hydrogen 2.786 N/A THR 82.A N ALA 142.A O no hydrogen 3.008 N/A PHE 83.A N GLU 117.A O no hydrogen 2.801 N/A TRP 84.A N VAL 140.A O no hydrogen 2.806 N/A ALA 85.A N GLU 119.A O no hydrogen 3.108 N/A VAL 86.A N MET 138.A O no hydrogen 2.928 N/A ASN 87.A N MET 138.A O no hydrogen 2.939 N/A ASN 87.A ND2 ASP 126.A OD2 no hydrogen 2.660 N/A TYR 89.A N GLN 96.A O no hydrogen 3.010 N/A TYR 89.A OH GLU 51.A OE2 no hydrogen 2.562 N/A SER 90.A N ASP 135.A OD1.B no hydrogen 3.018 N/A SER 90.A N ASP 135.A OD2.B no hydrogen 3.323 N/A SER 90.A OG ASP 135.A OD1.A no hydrogen 2.719 N/A TYR 94.A N GLN 96.A OE1 no hydrogen 2.831 N/A GLN 96.A NE2 ILE 52.A O no hydrogen 2.770 N/A TYR 100.A N LEU 97.A O no hydrogen 3.207 N/A PHE 101.A N ALA 98.A O no hydrogen 3.002 N/A ASN 102.A ND2 SER 106.A OG no hydrogen 2.849 N/A GLY 104.A N GLU 119.A OE1 no hydrogen 3.013 N/A GLY 105.A N ASN 102.A O no hydrogen 2.766 N/A TYR 107.A N ASN 102.A OD1 no hydrogen 3.265 N/A TYR 108.A N TYR 100.A O no hydrogen 3.027 N/A TYR 108.A OH PRO 53.A O no hydrogen 2.626 N/A LYS 109.A N GLY 105.A O no hydrogen 3.005 N/A LYS 109.A NZ CYS 116.A O no hydrogen 3.048 N/A GLN 110.A N SER 106.A O no hydrogen 3.094 N/A TYR 111.A N TYR 108.A O no hydrogen 3.207 N/A HIS 112.A N TYR 108.A O no hydrogen 2.769 N/A HIS 112.A NE2 TYR 94.A O no hydrogen 2.627 N/A THR 114.A OG1 VAL 56.A O no hydrogen 2.638 N/A CYS 116.A N THR 114.A OG1 no hydrogen 3.126 N/A GLU 117.A N CYS 81.A O no hydrogen 2.853 N/A GLU 119.A N PHE 83.A O no hydrogen 2.899 N/A ALA 121.A N ALA 85.A O no hydrogen 2.808 N/A HIS 124.A N ALA 121.A O no hydrogen 3.153 N/A HIS 124.A ND1 ASP 255.A OD1 no hydrogen 2.799 N/A SER 125.A N ASP 255.A OD2 no hydrogen 2.778 N/A ALA 127.A N SER 125.A OG no hydrogen 3.430 N/A CYS 129.A N ASP 126.A O no hydrogen 3.129 N/A CYS 129.A SG VAL 137.A O.A no hydrogen 3.906 N/A CYS 129.A SG VAL 137.A O.B no hydrogen 3.920 N/A TRP 130.A NE1 GLY 277.A O no hydrogen 2.829 N/A THR 134.A OG1.A ASP 135.A OD1.A no hydrogen 3.441 N/A MET 138.A N ASN 87.A O no hydrogen 2.800 N/A SER 139.A N ILE 49.A O no hydrogen 2.729 N/A SER 139.A OG ILE 49.A O no hydrogen 3.531 N/A SER 139.A OG GLU 51.A O no hydrogen 2.732 N/A VAL 140.A N TRP 84.A O no hydrogen 2.918 N/A PHE 141.A N ALA 47.A O no hydrogen 2.876 N/A ALA 142.A N THR 82.A O no hydrogen 3.020 N/A LEU 143.A N THR 45.A O no hydrogen 2.852 N/A ALA 144.A N ALA 80.A O no hydrogen 2.845 N/A SER 145.A N GLU 43.A O no hydrogen 3.135 N/A SER 145.A OG ILE 73.A O no hydrogen 2.613 N/A TYR 146.A N THR 77.A O no hydrogen 2.773 N/A VAL 147.A N ASP 41.A O no hydrogen 2.967 N/A HIS 149.A NE2 GLU 43.A OE2 no hydrogen 2.839 N/A LYS 152.A N HIS 149.A O no hydrogen 3.050 N/A LYS 152.A NZ ASP 41.A OD1 no hydrogen 2.821 N/A LYS 152.A NZ ASP 41.A OD2 no hydrogen 3.224 N/A LYS 152.A NZ VAL 297.A O no hydrogen 2.795 N/A THR 153.A N PRO 150.A O no hydrogen 3.257 N/A THR 153.A OG1 HIS 149.A O no hydrogen 2.853 N/A VAL 154.A N PHE 37.A O no hydrogen 2.780 N/A ARG 155.A N ILE 206.A O no hydrogen 3.305 N/A ARG 155.A NH2 ASP 33.A OD2 no hydrogen 3.004 N/A VAL 156.A N GLY 35.A O no hydrogen 2.959 N/A LYS 157.A N GLU 204.A O no hydrogen 3.051 N/A LYS 157.A NZ GLN 347.A OE1 no hydrogen 3.021 N/A PHE 158.A N VAL 32.A O no hydrogen 2.725 N/A HIS 159.A N LEU 202.A O no hydrogen 2.848 N/A HIS 159.A ND1 SER 29.A OG no hydrogen 2.657 N/A HIS 159.A NE2 GLU 204.A OE1 no hydrogen 2.751 N/A THR 160.A N LYS 30.A O no hydrogen 3.012 N/A THR 160.A OG1 LYS 30.A O no hydrogen 2.764 N/A THR 162.A OG1.A GLY 200.A O no hydrogen 3.127 N/A THR 162.A OG1.B GLY 200.A O no hydrogen 2.504 N/A ARG 163.A N GLU 28.A O no hydrogen 2.761 N/A ARG 163.A NH1 THR 162.A O no hydrogen 2.959 N/A ARG 163.A NH1 ASP 198.A OD2 no hydrogen 3.472 N/A ARG 163.A NH2 GLU 161.A OE1 no hydrogen 3.192 N/A THR 164.A N ASP 198.A OD1 no hydrogen 3.075 N/A VAL 165.A N ARG 26.A O no hydrogen 2.758 N/A TRP 166.A N VAL 177.A O no hydrogen 2.899 N/A GLN 167.A N GLY 24.A O no hydrogen 2.869 N/A LEU 168.A N CYS 175.A O no hydrogen 2.773 N/A SER 169.A N ARG 21.A O no hydrogen 2.928 N/A VAL 170.A N VAL 173.A O no hydrogen 2.771 N/A ALA 171.A N PRO 19.A O no hydrogen 2.921 N/A VAL 173.A N VAL 170.A O no hydrogen 3.024 N/A CYS 175.A N LEU 168.A O no hydrogen 2.969 N/A CYS 175.A SG PHE 183.A O no hydrogen 3.525 N/A VAL 177.A N TRP 166.A O no hydrogen 2.992 N/A THR 178.A N HIS 181.A O no hydrogen 3.192 N/A THR 179.A OG1 ASP 198.A OD1 no hydrogen 3.522 N/A THR 179.A OG1 ASP 198.A OD2 no hydrogen 2.650 N/A GLU 180.A N THR 178.A OG1 no hydrogen 3.221 N/A HIS 181.A N THR 178.A OG1 no hydrogen 3.002 N/A CYS 184.A N LEU 191.A O no hydrogen 2.808 N/A THR 186.A N GLY 189.A O no hydrogen 3.059 N/A GLY 189.A N THR 186.A O no hydrogen 3.334 N/A GLN 190.A N LYS 323.A O no hydrogen 2.873 N/A LEU 191.A N CYS 184.A O no hydrogen 2.730 N/A GLU 192.A N LYS 321.A O no hydrogen 2.844 N/A VAL 193.A N PRO 182.A O no hydrogen 2.814 N/A GLN 194.A N GLY 319.A O no hydrogen 2.730 N/A LEU 202.A N HIS 159.A O no hydrogen 2.988 N/A VAL 203.A N GLY 215.A O no hydrogen 2.828 N/A GLU 204.A N LYS 157.A O no hydrogen 2.849 N/A TYR 205.A N ARG 213.A O no hydrogen 2.787 N/A TYR 205.A OH SER 228.A OG no hydrogen 2.917 N/A ILE 206.A N ARG 155.A O no hydrogen 2.737 N/A MET 207.A N GLN 211.A O no hydrogen 2.689 N/A GLN 210.A N ASN 209.A O no hydrogen 2.270 N/A GLN 211.A N MET 207.A O no hydrogen 2.930 N/A GLN 211.A NE2 GLN 210.A O no hydrogen 3.222 N/A SER 212.A OG GLU 204.A OE2 no hydrogen 2.601 N/A ARG 213.A N TYR 205.A O no hydrogen 2.799 N/A ARG 213.A NE THR 307.A OG1 no hydrogen 2.833 N/A ARG 213.A NH2 THR 307.A O no hydrogen 2.962 N/A ARG 213.A NH2 THR 307.A OG1 no hydrogen 3.422 N/A TRP 214.A N THR 308.A O no hydrogen 2.807 N/A GLY 215.A N VAL 203.A O no hydrogen 2.785 N/A GLY 217.A N ASP 201.A O no hydrogen 2.895 N/A HIS 222.A N ASN 220.A OD1 no hydrogen 2.997 N/A GLY 223.A N ASN 220.A O no hydrogen 3.479 N/A TRP 226.A N GLY 223.A O no hydrogen 3.100 N/A SER 228.A N ASP 225.A O no hydrogen 3.055 N/A SER 228.A OG TYR 205.A OH no hydrogen 2.917 N/A VAL 230.A N SER 228.A OG no hydrogen 3.319 N/A CYS 231.A N SER 228.A O no hydrogen 2.933 N/A CYS 231.A SG ASP 225.A O no hydrogen 4.011 N/A GLN 232.A N PRO 229.A O no hydrogen 2.954 N/A GLN 232.A NE2 ALA 227.A O no hydrogen 3.040 N/A GLN 232.A NE2 SER 228.A O no hydrogen 3.645 N/A ARG 233.A N ALA 38.A O no hydrogen 2.968 N/A ARG 233.A NH2 THR 77.A OG1 no hydrogen 2.896 N/A HIS 234.A NE2 GLY 34.A O no hydrogen 2.776 N/A SER 235.A N CYS 36.A O no hydrogen 2.819 N/A SER 235.A OG ARG 240.A O no hydrogen 2.890 N/A CYS 238.A N SER 235.A O no hydrogen 3.257 N/A SER 239.A N ASP 237.A OD1 no hydrogen 3.271 N/A ARG 240.A N ASP 237.A OD1 no hydrogen 2.789 N/A ARG 240.A NE ASP 237.A OD2 no hydrogen 2.924 N/A ARG 240.A NH2 ASP 237.A OD2 no hydrogen 3.261 N/A VAL 242.A N HIS 234.A O no hydrogen 3.157 N/A THR 245.A OG1 GLY 243.A O no hydrogen 2.986 N/A ARG 248.A NH1 ARG 79.A O no hydrogen 2.733 N/A ARG 250.A N GLY 268.A O no hydrogen 3.002 N/A ARG 252.A N VAL 270.A O no hydrogen 2.906 N/A VAL 254.A N VAL 272.A O no hydrogen 2.877 N/A ASP 258.A N ASP 255.A O no hydrogen 3.099 N/A LEU 260.A N ASP 258.A OD1 no hydrogen 3.041 N/A LEU 261.A N ASP 258.A O no hydrogen 3.085 N/A ARG 262.A N PRO 259.A O no hydrogen 3.109 N/A THR 263.A N LEU 260.A O no hydrogen 3.021 N/A THR 263.A OG1 LEU 260.A O no hydrogen 2.706 N/A GLY 266.A N GLU 269.A OE1 no hydrogen 2.808 N/A GLY 268.A N GLY 290.A O no hydrogen 2.827 N/A GLU 269.A N GLY 266.A O no hydrogen 3.028 N/A VAL 270.A N ARG 250.A O no hydrogen 2.879 N/A TRP 271.A N ARG 288.A O no hydrogen 2.777 N/A VAL 272.A N ARG 252.A O no hydrogen 2.882 N/A THR 273.A N HIS 286.A O no hydrogen 2.765 N/A THR 273.A OG1 VAL 254.A O no hydrogen 2.689 N/A VAL 275.A N GLY 284.A O no hydrogen 2.732 N/A GLY 277.A N ALA 128.A O no hydrogen 3.449 N/A ARG 281.A N TRP 130.A O no hydrogen 2.722 N/A ARG 281.A NH1 GLY 131.A O no hydrogen 3.242 N/A LYS 282.A NZ GLN 279.A OE1 no hydrogen 2.987 N/A GLY 284.A N VAL 275.A O no hydrogen 2.786 N/A HIS 286.A N THR 273.A O no hydrogen 2.786 N/A ARG 288.A N TRP 271.A O no hydrogen 2.846 N/A GLY 290.A N GLU 269.A O no hydrogen 2.918 N/A HIS 294.A N PRO 291.A O no hydrogen 3.180 N/A GLU 301.A N GLU 301.A OE1 no hydrogen 2.842 N/A TRP 302.A N GLU 298.A O no hydrogen 2.818 N/A ILE 303.A N MET 299.A O no hydrogen 3.089 N/A HIS 304.A N PRO 300.A O no hydrogen 3.054 N/A ALA 305.A N GLU 301.A O no hydrogen 3.344 N/A HIS 306.A N TRP 302.A O no hydrogen 2.855 N/A HIS 306.A ND1 ASP 225.A OD1 no hydrogen 2.731 N/A THR 307.A OG1 ILE 303.A O no hydrogen 2.515 N/A THR 308.A N TRP 214.A O no hydrogen 2.916 N/A THR 308.A OG1 TRP 214.A O no hydrogen 3.421 N/A THR 308.A OG1 ASP 310.A O no hydrogen 2.713 N/A SER 309.A OG ASP 310.A OD2 no hydrogen 3.163 N/A HIS 313.A ND1 PRO 314.A O no hydrogen 2.858 N/A LEU 318.A N LEU 6.A O no hydrogen 2.854 N/A GLY 319.A N GLN 194.A O no hydrogen 2.923 N/A LEU 320.A N THR 4.A O no hydrogen 2.812 N/A LYS 321.A N GLU 192.A O no hydrogen 2.934 N/A PHE 322.A N ALA 2.A O no hydrogen 2.794 N/A LYS 323.A N GLN 190.A O no hydrogen 2.775 N/A LYS 323.A NZ GLU 192.A OE1 no hydrogen 2.735 N/A ARG 326.A NH1 GLY 189.A O no hydrogen 3.189 N/A ARG 332.A NH2 CYS 397.A O no hydrogen 3.144 N/A ALA 333.A N ASN 363.A O no hydrogen 3.125 N/A ARG 338.A N LEU 357.A O no hydrogen 2.850 N/A ARG 341.A N GLU 355.A O no hydrogen 2.765 N/A VAL 342.A N SER 405.A O no hydrogen 2.926 N/A THR 343.A N LEU 353.A O no hydrogen 2.946 N/A GLY 344.A N ARG 407.A O no hydrogen 3.136 N/A CYS 345.A SG THR 350.A O no hydrogen 4.027 N/A TYR 346.A N ILE 409.A O no hydrogen 3.395 N/A GLN 347.A N LEU 387.A O no hydrogen 2.785 N/A GLN 347.A NE2 ASN 388.A O no hydrogen 2.701 N/A CYS 348.A SG THR 350.A O no hydrogen 3.535 N/A ALA 352.A N ALA 385.A O no hydrogen 2.718 N/A LEU 353.A N THR 343.A O no hydrogen 2.779 N/A VAL 354.A N THR 383.A O no hydrogen 2.767 N/A GLU 355.A N ARG 341.A O no hydrogen 3.019 N/A GLY 356.A N PHE 381.A O no hydrogen 3.170 N/A LEU 357.A N ARG 338.A O no hydrogen 2.771 N/A ALA 358.A N GLY 379.A O no hydrogen 2.717 N/A ASN 363.A N PRO 331.A O no hydrogen 3.330 N/A CYS 364.A N PHE 376.A O no hydrogen 2.786 N/A LEU 366.A N GLY 374.A O no hydrogen 2.990 N/A THR 367.A N SER 396.A O no hydrogen 2.983 N/A THR 367.A OG1 SER 396.A O no hydrogen 3.476 N/A VAL 368.A N GLU 371.A O no hydrogen 2.925 N/A ASN 369.A N GLN 394.A O no hydrogen 2.876 N/A ASN 369.A ND2 THR 389.A OG1 no hydrogen 3.212 N/A ASN 369.A ND2 PRO 392.A O no hydrogen 3.032 N/A GLU 371.A N VAL 368.A O no hydrogen 3.014 N/A VAL 373.A N LEU 366.A O no hydrogen 3.082 N/A GLY 374.A N ASP 372.A OD1.B no hydrogen 3.134 N/A PHE 376.A N CYS 364.A O no hydrogen 2.900 N/A GLY 379.A N ALA 358.A O no hydrogen 2.902 N/A PHE 381.A N GLY 356.A O no hydrogen 2.965 N/A THR 383.A N VAL 354.A O no hydrogen 2.855 N/A ALA 385.A N ALA 352.A O no hydrogen 2.844 N/A ASN 388.A N GLU 371.A OE1 no hydrogen 2.769 N/A ASN 388.A ND2 SER 29.A O no hydrogen 2.757 N/A THR 389.A OG1 GLU 371.A OE2 no hydrogen 2.654 N/A TYR 393.A OH THR 389.A O no hydrogen 2.709 N/A GLN 394.A N ASN 369.A OD1 no hydrogen 2.855 N/A VAL 395.A N ASP 402.A O no hydrogen 2.793 N/A SER 396.A N THR 367.A O no hydrogen 3.228 N/A SER 396.A OG GLY 399.A O no hydrogen 3.237 N/A SER 396.A OG GLU 400.A O no hydrogen 3.339 N/A CYS 397.A SG ALA 335.A O no hydrogen 3.358 N/A GLY 398.A N SER 396.A OG no hydrogen 3.030 N/A ASP 402.A N VAL 395.A O no hydrogen 2.893 N/A ALA 404.A N TYR 393.A O no hydrogen 2.924 N/A SER 405.A N VAL 340.A O no hydrogen 2.906 N/A SER 405.A OG VAL 340.A O no hydrogen 3.168 N/A ARG 407.A N VAL 342.A O no hydrogen 2.935 N/A ILE 409.A N GLY 344.A O no hydrogen 2.982 N/A ALA 413.A N ASP 410.A OD1 no hydrogen 2.864 N/A GLN 414.A N ASP 410.A O no hydrogen 3.041 N/A SER 415.A N PRO 411.A O no hydrogen 3.115 N/A SER 415.A OG PRO 411.A O no hydrogen 2.822 N/A PHE 416.A N ALA 413.A O no hydrogen 3.147 N/A THR 417.A N GLN 414.A O no hydrogen 3.028 N/A THR 417.A OG1 ALA 413.A O no hydrogen 2.611 N/A TYR 421.A OH LEU 241.A O no hydrogen 2.690 N/A