Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ek9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N TYR 16.A O no hydrogen 2.818 N/A ARG 4.A NE GLU 2.A OE1 no hydrogen 3.322 N/A LEU 5.A N ALA 14.A O no hydrogen 2.862 N/A LYS 6.A N ASN 72.A OD1 no hydrogen 2.766 N/A LYS 6.A NZ ASP 76.A OD1 no hydrogen 2.784 N/A SER 7.A OG TRP 201.A O no hydrogen 2.753 N/A VAL 9.A N SER 7.A OG no hydrogen 3.057 N/A GLY 10.A N SER 7.A O no hydrogen 3.348 N/A ALA 11.A N SER 7.A OG no hydrogen 3.100 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.958 N/A ALA 14.A N LEU 5.A O no hydrogen 2.848 N/A TYR 16.A N LEU 3.A O no hydrogen 2.756 N/A TYR 16.A OH GLU 32.A OE2 no hydrogen 2.780 N/A TYR 23.A N HIS 27.A O no hydrogen 2.649 N/A TYR 23.A OH GLU 32.A OE1 no hydrogen 2.795 N/A ASP 24.A N HIS 27.A O no hydrogen 3.185 N/A HIS 26.A N ASP 24.A OD1 no hydrogen 2.639 N/A HIS 27.A N ASP 24.A O no hydrogen 3.475 N/A HIS 27.A ND1 ASP 24.A OD2 no hydrogen 2.766 N/A ALA 29.A N PRO 21.A O no hydrogen 2.928 N/A HIS 31.A N ASP 28.A O no hydrogen 3.223 N/A HIS 31.A N ASP 28.A OD1 no hydrogen 2.744 N/A GLU 32.A N ASP 28.A O no hydrogen 3.159 N/A ILE 33.A N ALA 29.A O no hydrogen 2.777 N/A ILE 34.A N ALA 30.A O no hydrogen 3.174 N/A GLU 35.A N HIS 31.A O no hydrogen 2.846 N/A THR 36.A N GLU 32.A O no hydrogen 2.820 N/A THR 36.A OG1 GLU 32.A O no hydrogen 2.692 N/A THR 36.A OG1 HIS 102.A NE2 no hydrogen 3.103 N/A ILE 37.A N ILE 33.A O no hydrogen 3.004 N/A ARG 38.A N ILE 34.A O no hydrogen 2.927 N/A TRP 39.A N GLU 35.A O no hydrogen 2.766 N/A VAL 40.A N THR 36.A O no hydrogen 2.923 N/A VAL 40.A N ILE 37.A O no hydrogen 3.203 N/A CYS 41.A N ILE 37.A O no hydrogen 3.036 N/A CYS 41.A SG ILE 37.A O no hydrogen 3.465 N/A GLU 42.A N ARG 38.A O no hydrogen 3.197 N/A GLU 43.A N TRP 39.A O no hydrogen 3.216 N/A ILE 44.A N VAL 40.A O no hydrogen 2.872 N/A LYS 48.A N ILE 44.A O no hydrogen 3.160 N/A LYS 48.A NZ GLU 42.A OE2 no hydrogen 2.804 N/A LEU 49.A N PRO 45.A O no hydrogen 2.932 N/A ALA 50.A N ASP 46.A O no hydrogen 2.902 N/A MET 51.A N LYS 48.A O no hydrogen 2.950 N/A GLU 52.A N LYS 48.A O no hydrogen 2.829 N/A GLU 52.A N LEU 49.A O no hydrogen 3.362 N/A TYR 54.A N GLU 52.A O no hydrogen 2.876 N/A ASP 57.A N SER 63.A OG no hydrogen 3.038 N/A SER 60.A N ASP 57.A O no hydrogen 3.297 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.984 N/A SER 63.A N SER 60.A OG no hydrogen 3.097 N/A MET 64.A N SER 60.A O no hydrogen 2.977 N/A GLN 65.A N PHE 61.A O no hydrogen 2.796 N/A ARG 66.A N GLU 62.A O no hydrogen 2.783 N/A CYS 68.A N MET 64.A O no hydrogen 2.931 N/A CYS 68.A SG MET 64.A O no hydrogen 3.592 N/A ASP 69.A N GLN 65.A O no hydrogen 2.948 N/A LYS 70.A N ARG 66.A O no hydrogen 2.931 N/A TYR 71.A N LEU 67.A O no hydrogen 2.942 N/A TYR 71.A OH LYS 6.A O no hydrogen 2.624 N/A ASN 72.A N CYS 68.A O no hydrogen 2.744 N/A ASN 72.A ND2 ARG 4.A O no hydrogen 2.881 N/A ARG 73.A N ASP 69.A O no hydrogen 2.865 N/A ARG 73.A NE ASP 69.A OD2 no hydrogen 2.587 N/A ARG 73.A NH2 ASP 69.A OD2 no hydrogen 3.299 N/A ALA 74.A N LYS 70.A O no hydrogen 3.206 N/A ILE 75.A N TYR 71.A O no hydrogen 2.937 N/A ASP 76.A N ASN 72.A O no hydrogen 3.019 N/A SER 77.A N ARG 73.A O no hydrogen 2.859 N/A ILE 78.A N ALA 74.A O no hydrogen 2.812 N/A HIS 79.A N ILE 75.A O no hydrogen 2.806 N/A HIS 79.A NE2 PRO 8.A O no hydrogen 2.758 N/A GLN 80.A N ASP 76.A O no hydrogen 3.034 N/A LEU 81.A N SER 77.A O no hydrogen 2.954 N/A TRP 82.A N ILE 78.A O no hydrogen 2.912 N/A LYS 83.A N HIS 79.A O no hydrogen 3.205 N/A GLY 84.A N GLN 80.A O no hydrogen 3.256 N/A GLY 84.A N LEU 81.A O no hydrogen 3.068 N/A THR 93.A OG1 ARG 94.A O no hydrogen 3.149 N/A ARG 94.A NH1 ALA 167.A O no hydrogen 2.844 N/A ARG 94.A NH1 ALA 168.A O no hydrogen 3.138 N/A LEU 99.A N SER 96.A OG no hydrogen 2.812 N/A LEU 100.A N SER 96.A O no hydrogen 2.990 N/A ARG 101.A N THR 97.A O no hydrogen 2.951 N/A ARG 101.A NH2 ASP 135.A OD2 no hydrogen 3.517 N/A HIS 102.A N GLY 98.A O no hydrogen 3.284 N/A HIS 102.A NE2 THR 36.A OG1 no hydrogen 3.103 N/A ILE 103.A N LEU 99.A O no hydrogen 2.816 N/A LEU 104.A N LEU 100.A O no hydrogen 2.979 N/A GLN 105.A N ARG 101.A O no hydrogen 2.998 N/A GLN 106.A N HIS 102.A O no hydrogen 2.742 N/A GLN 106.A NE2 GLU 32.A OE2 no hydrogen 3.012 N/A GLN 106.A NE2 THR 36.A OG1 no hydrogen 2.856 N/A VAL 107.A N ILE 103.A O no hydrogen 2.937 N/A TYR 108.A N LEU 104.A O no hydrogen 2.827 N/A TYR 108.A OH GLU 131.A OE2 no hydrogen 3.013 N/A ASN 109.A N GLN 105.A O no hydrogen 3.060 N/A ASN 109.A ND2 GLN 105.A OE1 no hydrogen 3.117 N/A HIS 110.A N GLN 106.A O no hydrogen 3.068 N/A HIS 110.A NE2 GLU 32.A OE2 no hydrogen 2.669 N/A SER 111.A N TYR 108.A O no hydrogen 2.882 N/A SER 111.A OG VAL 107.A O no hydrogen 2.515 N/A VAL 112.A N TYR 108.A O no hydrogen 2.749 N/A ASP 114.A N TYR 187.A OH no hydrogen 3.388 N/A GLU 116.A N ASP 114.A OD1 no hydrogen 3.170 N/A LYS 117.A N ASP 114.A O no hydrogen 3.061 N/A LEU 118.A N PRO 115.A O no hydrogen 3.198 N/A ASN 119.A N GLU 116.A O no hydrogen 3.093 N/A ASN 120.A N LYS 117.A O no hydrogen 3.414 N/A TYR 121.A N ASN 119.A O no hydrogen 2.895 N/A GLU 122.A N GLU 127.A OE2 no hydrogen 3.331 N/A SER 125.A OG GLU 122.A O no hydrogen 2.904 N/A GLU 127.A N SER 125.A OG no hydrogen 3.094 N/A VAL 128.A N SER 125.A O no hydrogen 3.481 N/A TYR 129.A OH GLU 131.A OE2 no hydrogen 2.507 N/A THR 132.A OG1 TYR 305.A OH no hydrogen 3.305 N/A LEU 136.A N SER 133.A OG no hydrogen 3.118 N/A VAL 137.A N SER 133.A O no hydrogen 3.212 N/A ALA 138.A N PHE 134.A O no hydrogen 2.815 N/A GLN 139.A N ASP 135.A O no hydrogen 2.751 N/A GLN 139.A NE2 GLU 143.A OE2 no hydrogen 2.804 N/A GLN 139.A NE2 SER 290.A O no hydrogen 2.926 N/A MET 140.A N LEU 136.A O no hydrogen 2.903 N/A ILE 141.A N VAL 137.A O no hydrogen 2.857 N/A ASP 142.A N ALA 138.A O no hydrogen 2.969 N/A GLU 143.A N GLN 139.A O no hydrogen 2.850 N/A ILE 144.A N MET 140.A O no hydrogen 2.941 N/A THR 147.A N ASP 150.A OD2 no hydrogen 2.974 N/A ASP 149.A N THR 147.A OG1 no hydrogen 2.981 N/A ASP 150.A N THR 147.A O no hydrogen 3.156 N/A LEU 151.A N SER 229.A OG no hydrogen 3.115 N/A PHE 152.A N HIS 174.A O no hydrogen 3.281 N/A VAL 153.A N VAL 230.A O no hydrogen 3.041 N/A ASP 154.A N TYR 176.A O no hydrogen 2.914 N/A LEU 155.A N PHE 232.A O no hydrogen 2.976 N/A GLY 156.A N VAL 178.A O no hydrogen 2.601 N/A SER 157.A N VAL 178.A O no hydrogen 3.020 N/A GLY 158.A N GLU 179.A OE1 no hydrogen 3.177 N/A LEU 164.A N GLY 160.A O no hydrogen 3.160 N/A GLN 165.A N GLN 161.A O no hydrogen 3.031 N/A GLN 165.A NE2 PHE 134.A O no hydrogen 3.140 N/A VAL 166.A N VAL 162.A O no hydrogen 2.901 N/A ALA 167.A N VAL 163.A O no hydrogen 2.700 N/A ALA 168.A N LEU 164.A O no hydrogen 2.822 N/A ALA 169.A N VAL 166.A O no hydrogen 2.972 N/A THR 170.A N VAL 166.A O no hydrogen 2.950 N/A THR 170.A OG1 VAL 166.A O no hydrogen 3.339 N/A THR 170.A OG1 HIS 175.A NE2 no hydrogen 3.008 N/A CYS 172.A SG THR 170.A OG1 no hydrogen 3.579 N/A LYS 173.A N ASP 150.A O no hydrogen 3.086 N/A HIS 174.A NE2 THR 210.A OG1 no hydrogen 2.761 N/A HIS 175.A N GLU 208.A O no hydrogen 2.910 N/A HIS 175.A ND1 GLU 208.A O no hydrogen 3.047 N/A HIS 175.A NE2 THR 170.A OG1 no hydrogen 3.008 N/A TYR 176.A N PHE 152.A O no hydrogen 2.674 N/A GLY 177.A N THR 210.A O no hydrogen 3.029 N/A VAL 178.A N ASP 154.A O no hydrogen 3.235 N/A GLU 179.A N GLU 212.A O no hydrogen 3.090 N/A ALA 181.A N GLU 179.A OE2 no hydrogen 2.846 N/A ALA 185.A N ALA 181.A O no hydrogen 3.174 N/A LYS 186.A N ASP 182.A O no hydrogen 2.641 N/A TYR 187.A N ILE 183.A O no hydrogen 3.122 N/A TYR 187.A OH ASP 114.A O no hydrogen 3.314 N/A ALA 188.A N PRO 184.A O no hydrogen 2.880 N/A GLU 189.A N ALA 185.A O no hydrogen 3.347 N/A GLU 189.A N LYS 186.A O no hydrogen 2.991 N/A THR 190.A N TYR 187.A O no hydrogen 2.900 N/A MET 191.A N TYR 187.A O no hydrogen 2.810 N/A ASP 192.A N ALA 188.A O no hydrogen 2.850 N/A GLU 194.A N THR 190.A O no hydrogen 2.909 N/A PHE 195.A N MET 191.A O no hydrogen 2.831 N/A ARG 196.A N ASP 192.A O no hydrogen 3.030 N/A ARG 196.A NE ASP 192.A OD1 no hydrogen 2.825 N/A ARG 196.A NH2 ASP 192.A OD1 no hydrogen 3.242 N/A ARG 196.A NH2 TYR 209.A O no hydrogen 3.166 N/A LYS 197.A N ARG 193.A O no hydrogen 2.909 N/A LYS 197.A NZ GLU 194.A OE1 no hydrogen 2.709 N/A LYS 197.A NZ GLU 194.A OE2 no hydrogen 3.131 N/A TRP 198.A N GLU 194.A O no hydrogen 2.748 N/A TRP 198.A NE1 GLU 194.A OE1 no hydrogen 3.125 N/A MET 199.A N PHE 195.A O no hydrogen 2.891 N/A LYS 200.A N ARG 196.A O no hydrogen 3.036 N/A TRP 201.A N LYS 197.A O no hydrogen 2.950 N/A TYR 202.A N TRP 198.A O no hydrogen 3.095 N/A TYR 202.A OH GLN 106.A OE1 no hydrogen 2.752 N/A GLY 203.A N LYS 200.A O no hydrogen 2.879 N/A LYS 204.A N MET 199.A O no hydrogen 3.057 N/A LYS 204.A NZ GLU 43.A OE2 no hydrogen 2.490 N/A LYS 204.A NZ THR 93.A OG1 no hydrogen 3.028 N/A LYS 205.A N THR 93.A O no hydrogen 2.719 N/A HIS 206.A ND1 ALA 207.A O no hydrogen 2.663 N/A ALA 207.A N ALA 167.A O no hydrogen 2.879 N/A TYR 209.A OH ASP 192.A OD1 no hydrogen 2.554 N/A THR 210.A N HIS 175.A O no hydrogen 2.903 N/A THR 210.A OG1 HIS 174.A NE2 no hydrogen 2.761 N/A GLU 212.A N GLY 177.A O no hydrogen 2.798 N/A GLY 214.A N GLU 179.A O no hydrogen 3.063 N/A LEU 217.A N ASP 215.A OD1 no hydrogen 2.948 N/A SER 218.A N ASP 215.A O no hydrogen 3.015 N/A SER 218.A OG ASP 215.A O no hydrogen 3.013 N/A TRP 221.A N SER 218.A O no hydrogen 3.184 N/A ARG 222.A N SER 218.A O no hydrogen 3.427 N/A ARG 222.A NH2 GLU 248.A OE1 no hydrogen 3.117 N/A ARG 224.A N GLU 220.A O no hydrogen 3.438 N/A ARG 224.A NH1 GLU 212.A OE1 no hydrogen 3.012 N/A ARG 224.A NH1 GLU 220.A OE1 no hydrogen 3.180 N/A ARG 224.A NH2 GLU 212.A OE2 no hydrogen 3.282 N/A ILE 225.A N TRP 221.A O no hydrogen 2.730 N/A ALA 226.A N ARG 222.A O no hydrogen 3.256 N/A ASN 227.A N GLU 223.A O no hydrogen 3.104 N/A THR 228.A N ILE 225.A O no hydrogen 3.221 N/A THR 228.A OG1 ARG 224.A O no hydrogen 2.985 N/A SER 229.A OG ASP 150.A OD1 no hydrogen 2.591 N/A SER 229.A OG LEU 151.A O no hydrogen 3.367 N/A VAL 230.A N LEU 151.A O no hydrogen 3.072 N/A ILE 231.A N ARG 258.A O no hydrogen 2.795 N/A PHE 232.A N VAL 153.A O no hydrogen 2.707 N/A VAL 233.A N VAL 260.A O no hydrogen 2.743 N/A ASN 235.A ND2 ASP 243.A OD1 no hydrogen 2.998 N/A ASN 235.A ND2 LYS 263.A O no hydrogen 3.218 N/A PHE 238.A N ASN 235.A O no hydrogen 2.820 N/A ASP 243.A N GLY 239.A O no hydrogen 3.051 N/A HIS 244.A N PRO 240.A O no hydrogen 2.902 N/A GLN 245.A N GLU 241.A O no hydrogen 3.367 N/A LEU 246.A N VAL 242.A O no hydrogen 3.121 N/A LYS 247.A N ASP 243.A O no hydrogen 2.941 N/A LYS 247.A NZ PHE 265.A O no hydrogen 2.738 N/A GLU 248.A N HIS 244.A O no hydrogen 3.289 N/A ARG 249.A N GLN 245.A O no hydrogen 3.216 N/A ARG 249.A NH1 GLN 245.A O no hydrogen 2.971 N/A ARG 249.A NH2 LEU 217.A O no hydrogen 2.624 N/A PHE 250.A N LEU 246.A O no hydrogen 2.835 N/A ALA 251.A N LYS 247.A O no hydrogen 2.977 N/A ASN 252.A N ARG 249.A O no hydrogen 3.464 N/A MET 253.A N PHE 250.A O no hydrogen 2.830 N/A LYS 254.A NZ ASN 227.A OD1 no hydrogen 2.797 N/A GLY 256.A N ILE 310.A O no hydrogen 2.856 N/A GLY 257.A N LYS 254.A O no hydrogen 3.050 N/A ARG 258.A N SER 229.A O no hydrogen 2.745 N/A ARG 258.A NH1 LYS 145.A O no hydrogen 3.367 N/A ARG 258.A NH2 LYS 145.A O no hydrogen 3.475 N/A ILE 259.A N HIS 308.A O no hydrogen 2.881 N/A VAL 260.A N ILE 231.A O no hydrogen 2.674 N/A SER 261.A N TYR 306.A O no hydrogen 3.008 N/A SER 261.A OG LYS 263.A O no hydrogen 3.076 N/A SER 262.A OG ASN 234.A OD1 no hydrogen 2.806 N/A SER 262.A OG ASN 235.A OD1 no hydrogen 3.255 N/A LYS 263.A N ASN 235.A OD1 no hydrogen 3.050 N/A PHE 265.A N HIS 308.A NE2 no hydrogen 3.019 N/A ARG 275.A N ASN 273.A OD1 no hydrogen 2.653 N/A ASN 276.A ND2 ARG 271.A O no hydrogen 3.355 N/A ASP 279.A N ASN 276.A O no hydrogen 2.953 N/A THR 282.A N ASP 279.A O no hydrogen 2.998 N/A THR 282.A OG1 ASP 279.A O no hydrogen 2.753 N/A ILE 283.A N ILE 280.A O no hydrogen 3.218 N/A ARG 285.A N THR 309.A O no hydrogen 2.927 N/A VAL 287.A N LEU 307.A O no hydrogen 2.964 N/A LEU 289.A N TYR 305.A O no hydrogen 2.787 N/A THR 299.A N SER 297.A OG no hydrogen 3.271 N/A GLY 300.A N SER 297.A O no hydrogen 3.473 N/A SER 304.A OG GLU 288.A OE2 no hydrogen 3.226 N/A SER 304.A OG PRO 302.A O no hydrogen 3.303 N/A TYR 305.A OH THR 132.A OG1 no hydrogen 3.305 N/A TYR 306.A N SER 261.A O no hydrogen 2.775 N/A LEU 307.A N VAL 287.A O no hydrogen 3.013 N/A HIS 308.A N ILE 259.A O no hydrogen 2.678 N/A HIS 308.A ND1 ILE 259.A O no hydrogen 2.902 N/A THR 309.A N ARG 285.A O no hydrogen 2.852 N/A ILE 310.A N GLY 257.A O no hydrogen 2.885 N/A ASP 311.A N ILE 283.A O no hydrogen 2.555 N/A ARG 312.A N GLU 255.A OE1 no hydrogen 3.480 N/A ARG 312.A N GLU 255.A OE2 no hydrogen 3.075 N/A ARG 312.A NH1 MET 253.A O no hydrogen 3.083 N/A ARG 312.A NH1 GLU 255.A OE2 no hydrogen 3.548 N/A ARG 312.A NH2 ALA 251.A O no hydrogen 2.833 N/A ARG 312.A NH2 MET 253.A O no hydrogen 2.933 N/A ILE 314.A N ASP 311.A O no hydrogen 3.358 N/A LEU 315.A N ARG 312.A O no hydrogen 2.794 N/A GLU 316.A N ARG 312.A O no hydrogen 3.023 N/A ASN 317.A N THR 313.A O no hydrogen 2.914 N/A TYR 318.A N ILE 314.A O no hydrogen 3.363 N/A PHE 319.A N LEU 315.A O no hydrogen 3.051 N/A SER 320.A N GLU 316.A O no hydrogen 2.942 N/A SER 321.A N ASN 317.A O no hydrogen 2.911 N/A SER 321.A OG ASN 317.A O no hydrogen 3.173 N/A SER 321.A OG TYR 318.A O no hydrogen 2.833 N/A LEU 322.A N PHE 319.A O no hydrogen 2.873 N/A LYS 323.A N SER 320.A O no hydrogen 3.043 N/A