Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wwj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 LEU 8.A O no hydrogen 3.138 N/A THR 6.A OG1 ILE 11.A O no hydrogen 2.573 N/A LEU 8.A N THR 6.A OG1 no hydrogen 3.163 N/A ILE 11.A N LEU 8.A O no hydrogen 3.195 N/A SER 14.A N GLU 110.A OE1 no hydrogen 2.997 N/A SER 14.A OG ASN 64.A OD1 no hydrogen 3.456 N/A SER 14.A OG GLU 110.A OE2 no hydrogen 2.893 N/A ASP 19.A N GLU 107.A OE1 no hydrogen 3.036 N/A ALA 21.A N ASP 19.A OD1 no hydrogen 2.952 N/A ASN 22.A N ASP 19.A O no hydrogen 3.129 N/A ASN 22.A ND2 LYS 105.A O no hydrogen 2.998 N/A ASN 22.A ND2 GLU 107.A OE2 no hydrogen 2.901 N/A LEU 24.A N ASN 22.A OD1 no hydrogen 2.831 N/A ALA 25.A N ASN 22.A O no hydrogen 3.081 N/A GLY 26.A N THR 106.A O no hydrogen 2.794 N/A GLY 27.A N LEU 24.A O no hydrogen 3.057 N/A ALA 28.A N ALA 141.A O no hydrogen 3.003 N/A ALA 29.A N VAL 36.A O no hydrogen 2.881 N/A TRP 30.A N MET 139.A O no hydrogen 2.776 N/A ILE 31.A N ALA 34.A O no hydrogen 2.851 N/A ALA 34.A N ILE 31.A O no hydrogen 3.007 N/A VAL 36.A N ALA 29.A O no hydrogen 2.839 N/A SER 39.A OG GLU 40.A OE2.B no hydrogen 2.748 N/A GLU 40.A N.A PRO 37.A O no hydrogen 2.983 N/A GLU 40.A N.B PRO 37.A O no hydrogen 2.980 N/A ALA 41.A N PRO 38.A O no hydrogen 3.075 N/A ARG 42.A N GLU 40.A O.A no hydrogen 3.026 N/A ARG 42.A N GLU 40.A O.B no hydrogen 3.016 N/A PHE 46.A N SER 44.A OG no hydrogen 3.073 N/A ASP 47.A N SER 44.A O no hydrogen 2.869 N/A GLN 48.A N GLY 120.A O no hydrogen 2.989 N/A GLN 48.A NE2 GLY 120.A O no hydrogen 3.109 N/A GLN 48.A NE2 SER 123.A OG no hydrogen 3.413 N/A GLY 49.A N ASP 47.A OD1 no hydrogen 2.798 N/A PHE 50.A N ASP 47.A O no hydrogen 2.831 N/A TYR 51.A N ASP 47.A O no hydrogen 3.364 N/A THR 52.A N GLN 48.A O no hydrogen 2.988 N/A THR 52.A OG1 GLN 48.A O no hydrogen 3.030 N/A SER 53.A N PHE 50.A O no hydrogen 3.326 N/A ASP 54.A N GLN 48.A O no hydrogen 3.064 N/A THR 56.A N ILE 117.A O no hydrogen 3.146 N/A THR 56.A OG1 LYS 177.A O no hydrogen 2.661 N/A THR 58.A N VAL 115.A O no hydrogen 2.960 N/A PHE 60.A N VAL 113.A O no hydrogen 2.919 N/A HIS 61.A NE2 ASN 307.A OD1 no hydrogen 2.600 N/A VAL 62.A N ALA 111.A O no hydrogen 2.785 N/A TRP 63.A N ASN 66.A O no hydrogen 2.829 N/A ASN 64.A N GLU 110.A OE2 no hydrogen 2.732 N/A GLY 65.A N ARG 109.A O no hydrogen 2.943 N/A ASN 66.A N TRP 63.A O no hydrogen 2.945 N/A ALA 67.A N THR 315.A O no hydrogen 2.816 N/A PHE 68.A N HIS 61.A O no hydrogen 2.899 N/A ARG 69.A N LEU 313.A O no hydrogen 2.879 N/A ARG 69.A NE ASP 72.A OD2 no hydrogen 2.677 N/A ARG 69.A NH1 THR 239.A OG1 no hydrogen 2.947 N/A ARG 69.A NH1 GLU 242.A OE1 no hydrogen 2.826 N/A ARG 69.A NH1 GLU 242.A OE2 no hydrogen 3.421 N/A ARG 69.A NH2 GLU 242.A OE2 no hydrogen 2.953 N/A HIS 73.A N ARG 69.A O no hydrogen 3.003 N/A HIS 73.A ND1 ARG 69.A O no hydrogen 3.243 N/A ILE 74.A N LEU 70.A O no hydrogen 2.953 N/A GLU 75.A N GLY 71.A O no hydrogen 2.932 N/A ARG 76.A N ASP 72.A O no hydrogen 2.870 N/A ARG 76.A NH1 PRO 233.A O no hydrogen 2.953 N/A ARG 76.A NH2 THR 58.A OG1 no hydrogen 2.732 N/A LEU 77.A N HIS 73.A O no hydrogen 3.002 N/A PHE 78.A N ILE 74.A O no hydrogen 3.123 N/A SER 79.A N GLU 75.A O no hydrogen 3.012 N/A ASN 80.A N ARG 76.A O no hydrogen 2.884 N/A ALA 81.A N LEU 77.A O no hydrogen 2.802 N/A GLU 82.A N PHE 78.A O no hydrogen 3.069 N/A SER 83.A N SER 79.A O no hydrogen 2.879 N/A SER 83.A OG SER 79.A O no hydrogen 3.018 N/A ILE 84.A N ASN 80.A O no hydrogen 3.310 N/A ILE 84.A N ALA 81.A O no hydrogen 3.164 N/A ARG 85.A N GLU 82.A O no hydrogen 3.014 N/A LEU 86.A N ALA 81.A O no hydrogen 2.717 N/A THR 91.A N GLU 94.A OE1 no hydrogen 2.975 N/A GLN 92.A NE2 GLU 75.A OE1 no hydrogen 3.177 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.281 N/A VAL 95.A N THR 91.A O no hydrogen 3.071 N/A LYS 96.A N GLN 92.A O no hydrogen 3.070 N/A GLU 97.A N ASP 93.A O no hydrogen 3.010 N/A ILE 98.A N GLU 94.A O no hydrogen 2.894 N/A ALA 99.A N VAL 95.A O no hydrogen 2.913 N/A LEU 100.A N LYS 96.A O no hydrogen 2.899 N/A GLU 101.A N GLU 97.A O no hydrogen 3.078 N/A LEU 102.A N ILE 98.A O no hydrogen 2.762 N/A VAL 103.A N ALA 99.A O no hydrogen 3.091 N/A ALA 104.A N LEU 100.A O no hydrogen 3.020 N/A LYS 105.A N GLU 101.A O no hydrogen 2.882 N/A LYS 105.A NZ GLU 101.A OE2 no hydrogen 3.130 N/A THR 106.A N LEU 102.A O no hydrogen 3.252 N/A THR 106.A N VAL 103.A O no hydrogen 3.115 N/A THR 106.A OG1 VAL 103.A O no hydrogen 2.641 N/A GLU 107.A N ALA 104.A O no hydrogen 2.983 N/A LEU 108.A N THR 106.A OG1 no hydrogen 3.120 N/A ARG 109.A N TYR 16.A OH no hydrogen 3.158 N/A ARG 109.A NH1 GLU 107.A O no hydrogen 3.173 N/A ALA 111.A N VAL 62.A O no hydrogen 2.950 N/A VAL 113.A N PHE 60.A O no hydrogen 2.851 N/A THR 114.A N SER 140.A O no hydrogen 2.774 N/A VAL 115.A N THR 58.A O no hydrogen 2.900 N/A THR 116.A N TYR 138.A O no hydrogen 2.784 N/A ILE 117.A N THR 56.A O no hydrogen 3.006 N/A THR 118.A N GLN 136.A O no hydrogen 2.864 N/A THR 118.A OG1 ASP 47.A OD1 no hydrogen 2.918 N/A THR 118.A OG1 ASP 47.A OD2 no hydrogen 2.972 N/A ARG 119.A N ASP 54.A O no hydrogen 3.045 N/A ARG 119.A NE ASP 54.A OD1 no hydrogen 3.273 N/A ARG 119.A NE ASP 54.A OD2 no hydrogen 2.652 N/A ARG 119.A NH1 ILE 84.A O no hydrogen 3.356 N/A ARG 119.A NH1 ARG 85.A O no hydrogen 3.188 N/A ARG 119.A NH2 ASP 54.A OD1 no hydrogen 2.742 N/A ARG 119.A NH2 ASP 54.A OD2 no hydrogen 3.481 N/A ARG 119.A NH2 ILE 84.A O no hydrogen 2.850 N/A GLY 120.A N THR 118.A OG1 no hydrogen 3.097 N/A TYR 121.A OH GLU 32.A OE1 no hydrogen 2.518 N/A GLU 127.A N THR 124.A O no hydrogen 3.150 N/A ASP 129.A N GLU 127.A OE1 no hydrogen 2.727 N/A THR 131.A N ASP 129.A OD1 no hydrogen 3.271 N/A THR 131.A OG1 ASP 129.A OD1 no hydrogen 2.563 N/A LYS 132.A N ASP 129.A O no hydrogen 3.012 N/A HIS 133.A N ILE 130.A O no hydrogen 3.283 N/A ARG 134.A NH1 THR 131.A O no hydrogen 3.174 N/A GLN 136.A N THR 118.A O no hydrogen 3.080 N/A TYR 138.A N THR 116.A O no hydrogen 2.844 N/A TYR 138.A OH ASP 47.A OD2 no hydrogen 2.562 N/A MET 139.A N TRP 30.A O no hydrogen 2.961 N/A SER 140.A N THR 114.A O no hydrogen 2.915 N/A ALA 141.A N ALA 28.A O no hydrogen 2.919 N/A TRP 145.A NE1 TYR 13.A OH no hydrogen 2.830 N/A ILE 146.A N GLY 273.A O no hydrogen 3.031 N/A ARG 151.A N PRO 148.A O no hydrogen 3.076 N/A ILE 152.A N PRO 148.A O no hydrogen 3.120 N/A ARG 153.A N PHE 149.A O no hydrogen 3.176 N/A ARG 153.A NE ASP 154.A OD1 no hydrogen 3.437 N/A ASP 154.A N ASP 150.A O no hydrogen 2.861 N/A GLY 155.A N ARG 151.A O no hydrogen 2.778 N/A VAL 156.A N PRO 278.A O no hydrogen 2.730 N/A HIS 157.A N GLU 197.A OE1 no hydrogen 2.832 N/A HIS 157.A ND1 SER 281.A OG no hydrogen 2.589 N/A LEU 158.A N SER 281.A O no hydrogen 2.829 N/A MET 159.A N LEU 198.A O no hydrogen 3.046 N/A VAL 160.A N ASP 283.A OD1 no hydrogen 2.679 N/A ALA 161.A N LEU 200.A O no hydrogen 2.984 N/A GLN 162.A N GLU 190.A OE1 no hydrogen 3.245 N/A GLN 162.A N GLU 190.A OE2 no hydrogen 2.853 N/A SER 163.A N GLU 190.A OE1 no hydrogen 2.868 N/A SER 163.A OG GLU 190.A OE1 no hydrogen 2.716 N/A ARG 166.A N LEU 202.A O no hydrogen 3.065 N/A ARG 166.A NE GLU 210.A OE2 no hydrogen 2.884 N/A ARG 166.A NH1 ASP 183.A OD2 no hydrogen 2.764 N/A ARG 166.A NH2 GLU 210.A OE2 no hydrogen 3.020 N/A THR 167.A N ASP 183.A OD2 no hydrogen 3.127 N/A THR 167.A OG1 ASP 183.A OD2 no hydrogen 3.369 N/A ARG 169.A NE ASP 173.A OD1 no hydrogen 2.743 N/A ARG 169.A NE ASP 173.A OD2 no hydrogen 3.427 N/A ARG 169.A NH2 ASP 173.A OD2 no hydrogen 2.803 N/A SER 171.A N PRO 168.A O no hydrogen 3.049 N/A ILE 172.A N PRO 168.A O no hydrogen 3.194 N/A GLN 175.A N ASP 173.A OD1 no hydrogen 2.943 N/A GLN 175.A NE2 ARG 229.A O no hydrogen 3.000 N/A VAL 176.A N ASP 173.A O no hydrogen 3.056 N/A ASN 178.A ND2 ASP 173.A O no hydrogen 3.520 N/A ASN 178.A ND2 VAL 176.A O no hydrogen 2.934 N/A GLN 180.A N ASN 178.A OD1 no hydrogen 2.677 N/A TRP 181.A N PHE 179.A O no hydrogen 2.978 N/A ILE 185.A N TRP 181.A O no hydrogen 2.735 N/A ARG 186.A N GLY 182.A O no hydrogen 3.178 N/A ARG 186.A NH2 SER 163.A O no hydrogen 3.198 N/A ALA 187.A N ASP 183.A O no hydrogen 3.081 N/A ILE 188.A N LEU 184.A O no hydrogen 3.036 N/A GLN 189.A N ILE 185.A O no hydrogen 2.898 N/A GLU 190.A N ARG 186.A O no hydrogen 2.899 N/A THR 191.A N ALA 187.A O no hydrogen 3.160 N/A THR 191.A OG1 ILE 188.A O no hydrogen 2.525 N/A HIS 192.A N ILE 188.A O no hydrogen 3.221 N/A ASP 193.A N GLN 189.A O no hydrogen 3.028 N/A ARG 194.A N GLU 190.A O no hydrogen 2.925 N/A ARG 194.A NH1 VAL 160.A O no hydrogen 3.122 N/A ARG 194.A NH1 GLU 190.A OE2 no hydrogen 2.658 N/A PHE 196.A N THR 191.A O no hydrogen 2.997 N/A GLU 197.A N HIS 157.A O no hydrogen 3.378 N/A LEU 200.A N MET 159.A O no hydrogen 2.684 N/A LEU 201.A N GLU 210.A O no hydrogen 2.906 N/A ASP 203.A N LEU 207.A O no hydrogen 2.769 N/A ASN 206.A N ASP 203.A O no hydrogen 2.759 N/A LEU 207.A N ASP 203.A OD1 no hydrogen 2.818 N/A LEU 208.A N ILE 256.A O no hydrogen 2.836 N/A ALA 209.A N LEU 201.A O no hydrogen 2.851 N/A GLY 211.A N PHE 214.A O no hydrogen 2.874 N/A PHE 214.A N GLY 211.A O no hydrogen 3.309 N/A ASN 215.A N CYS 270.A O no hydrogen 2.982 N/A ASN 215.A ND2 LEU 232.A O no hydrogen 2.953 N/A VAL 217.A N LEU 268.A O no hydrogen 2.980 N/A VAL 218.A N ARG 225.A O no hydrogen 2.721 N/A ILE 219.A N GLU 266.A O no hydrogen 2.845 N/A LYS 220.A N VAL 223.A O no hydrogen 3.019 N/A LYS 220.A NZ ASP 263.A O no hydrogen 3.204 N/A LYS 220.A NZ ASP 263.A OD2 no hydrogen 3.381 N/A ASP 221.A N ASP 265.A OD2 no hydrogen 2.905 N/A VAL 223.A N LYS 220.A O no hydrogen 2.823 N/A VAL 224.A N GLU 250.A O no hydrogen 2.806 N/A ARG 225.A N VAL 218.A O no hydrogen 2.870 N/A ARG 225.A NH1 GLU 260.A OE1 no hydrogen 3.065 N/A ARG 225.A NH2 GLU 260.A OE1 no hydrogen 3.555 N/A SER 226.A N ILE 252.A O no hydrogen 3.151 N/A SER 226.A OG VAL 216.A O no hydrogen 2.609 N/A GLY 228.A N ALA 254.A O no hydrogen 2.992 N/A ALA 231.A N ARG 229.A O no hydrogen 2.831 N/A LEU 232.A N GLU 210.A OE1 no hydrogen 2.986 N/A LYS 238.A N GLY 234.A O no hydrogen 3.081 N/A THR 239.A N ILE 235.A O no hydrogen 3.013 N/A THR 239.A OG1 ILE 235.A O no hydrogen 2.789 N/A VAL 240.A N THR 236.A O no hydrogen 2.793 N/A LEU 241.A N ARG 237.A O no hydrogen 2.980 N/A GLU 242.A N LYS 238.A O no hydrogen 3.030 N/A ILE 243.A N THR 239.A O no hydrogen 2.781 N/A ALA 244.A N VAL 240.A O no hydrogen 2.730 N/A GLU 245.A N LEU 241.A O no hydrogen 2.879 N/A SER 246.A N GLU 242.A O no hydrogen 2.944 N/A SER 246.A OG ILE 243.A O no hydrogen 2.569 N/A LEU 247.A N ILE 243.A O no hydrogen 3.050 N/A GLY 248.A N GLU 245.A O no hydrogen 2.796 N/A HIS 249.A N ALA 244.A O no hydrogen 3.006 N/A ILE 252.A N VAL 224.A O no hydrogen 2.906 N/A ALA 254.A N SER 226.A O no hydrogen 3.013 N/A THR 257.A N GLU 260.A OE1 no hydrogen 3.178 N/A GLU 260.A N THR 257.A OG1 no hydrogen 3.080 N/A LEU 261.A N THR 257.A O no hydrogen 3.109 N/A TYR 262.A N PRO 258.A O no hydrogen 3.112 N/A TYR 262.A OH ASP 283.A OD2 no hydrogen 2.662 N/A ASP 263.A N ALA 259.A O no hydrogen 3.046 N/A ALA 264.A N LEU 261.A O no hydrogen 3.144 N/A ASP 265.A N ILE 219.A O no hydrogen 2.950 N/A GLU 266.A N ILE 219.A O no hydrogen 3.218 N/A LEU 268.A N VAL 217.A O no hydrogen 3.003 N/A GLY 269.A N TRP 277.A O no hydrogen 2.880 N/A CYS 270.A N ASN 215.A O no hydrogen 3.030 N/A CYS 270.A SG ASN 215.A O no hydrogen 4.033 N/A SER 271.A N GLY 275.A O no hydrogen 2.963 N/A SER 271.A OG GLY 213.A O no hydrogen 2.706 N/A THR 272.A OG1 THR 59.A O no hydrogen 3.376 N/A GLY 273.A N SER 271.A OG no hydrogen 2.922 N/A GLY 274.A N THR 272.A O no hydrogen 2.932 N/A GLY 275.A N SER 271.A O no hydrogen 2.819 N/A TRP 277.A N GLY 269.A O no hydrogen 3.097 N/A PHE 279.A N VAL 267.A O no hydrogen 2.994 N/A VAL 280.A N VAL 156.A O no hydrogen 2.917 N/A SER 281.A OG HIS 157.A ND1 no hydrogen 2.589 N/A VAL 282.A N ASN 285.A O no hydrogen 2.917 N/A ASP 283.A N LEU 158.A O no hydrogen 2.852 N/A ASN 285.A N VAL 282.A O no hydrogen 2.784 N/A ILE 287.A N VAL 280.A O no hydrogen 3.086 N/A SER 288.A OG ASP 265.A O no hydrogen 2.871 N/A GLY 290.A N ILE 287.A O no hydrogen 2.931 N/A VAL 295.A N GLU 266.A OE2 no hydrogen 2.994 N/A THR 296.A N GLU 266.A OE1 no hydrogen 2.725 N/A THR 296.A OG1 GLU 266.A OE1 no hydrogen 2.876 N/A GLN 297.A N GLY 293.A O no hydrogen 3.032 N/A GLN 297.A NE2 PRO 292.A O no hydrogen 3.390 N/A SER 298.A N PRO 294.A O no hydrogen 3.011 N/A SER 298.A OG PRO 294.A O no hydrogen 2.461 N/A ILE 299.A N VAL 295.A O no hydrogen 2.950 N/A ILE 300.A N THR 296.A O no hydrogen 2.806 N/A ARG 301.A N GLN 297.A O no hydrogen 3.103 N/A ARG 301.A NH1 ASP 9.A OD2 no hydrogen 2.742 N/A ARG 301.A NH2 ASP 9.A OD1 no hydrogen 3.246 N/A ARG 301.A NH2 ASP 9.A OD2 no hydrogen 3.550 N/A ARG 302.A N SER 298.A O no hydrogen 2.969 N/A ARG 302.A NH1 GLU 305.A OE1 no hydrogen 3.239 N/A ARG 302.A NH1 GLU 309.A OE1 no hydrogen 3.302 N/A ARG 302.A NH1 GLU 309.A OE2 no hydrogen 2.901 N/A TYR 303.A N ILE 299.A O no hydrogen 2.869 N/A TRP 304.A N ILE 300.A O no hydrogen 3.268 N/A GLU 305.A N ARG 301.A O no hydrogen 2.956 N/A LEU 306.A N ARG 302.A O no hydrogen 2.820 N/A ASN 307.A N TYR 303.A O no hydrogen 3.230 N/A ASN 307.A N TRP 304.A O no hydrogen 3.073 N/A ASN 307.A ND2 TYR 303.A O no hydrogen 2.894 N/A VAL 308.A N GLU 305.A O no hydrogen 3.060 N/A GLU 309.A N GLU 305.A O no hydrogen 2.970 N/A LEU 313.A N SER 311.A OG no hydrogen 3.111 N/A LEU 314.A N SER 311.A O no hydrogen 3.294 N/A THR 315.A N ALA 67.A O no hydrogen 2.924 N/A VAL 317.A N GLY 65.A O no hydrogen 3.021 N/A TYR 319.A OH LEU 108.A O no hydrogen 2.614 N/A