Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wpx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ARG 61.A O no hydrogen 2.950 N/A VAL 7.A N VAL 59.A O no hydrogen 3.174 N/A LEU 9.A N ASP 57.A O no hydrogen 2.869 N/A ASN 12.A N ASN 12.A OD1 no hydrogen 2.314 N/A ASP 13.A N ALA 10.A O no hydrogen 3.140 N/A THR 16.A N ASP 13.A OD2 no hydrogen 3.064 N/A THR 16.A OG1 ASP 13.A OD1 no hydrogen 2.798 N/A THR 16.A OG1 ASP 13.A OD2 no hydrogen 3.191 N/A VAL 17.A N ASP 13.A O no hydrogen 2.843 N/A GLY 18.A N ASP 14.A O no hydrogen 2.815 N/A GLN 19.A N GLU 15.A O no hydrogen 3.168 N/A GLN 19.A NE2 GLU 15.A OE1 no hydrogen 3.163 N/A TRP 20.A N THR 16.A O no hydrogen 3.004 N/A LEU 21.A N VAL 17.A O no hydrogen 2.866 N/A ASP 22.A N GLY 18.A O no hydrogen 2.952 N/A LEU 23.A N GLN 19.A O no hydrogen 2.810 N/A MET 24.A N TRP 20.A O no hydrogen 2.965 N/A ALA 25.A N LEU 21.A O no hydrogen 2.920 N/A LEU 26.A N ASP 22.A O no hydrogen 2.975 N/A ALA 27.A N LEU 23.A O no hydrogen 2.935 N/A ALA 28.A N MET 24.A O no hydrogen 2.866 N/A GLU 29.A N LEU 26.A O no hydrogen 3.186 N/A THR 30.A N ALA 27.A O no hydrogen 3.182 N/A MET 42.A N CYS 38.A O no hydrogen 2.722 N/A VAL 43.A N ASN 39.A O no hydrogen 2.931 N/A GLY 44.A N VAL 40.A O no hydrogen 2.941 N/A SER 45.A N ASP 41.A O no hydrogen 2.776 N/A SER 45.A OG MET 42.A O no hydrogen 2.449 N/A LEU 46.A N VAL 43.A O no hydrogen 3.099 N/A ARG 47.A N GLY 44.A O no hydrogen 3.017 N/A PHE 48.A N GLY 44.A O no hydrogen 2.995 N/A THR 53.A OG1 PRO 50.A O no hydrogen 3.087 N/A ALA 54.A N LEU 74.A O no hydrogen 2.939 N/A ASP 56.A N LEU 72.A O no hydrogen 3.155 N/A TRP 58.A N LEU 70.A O no hydrogen 2.843 N/A TRP 58.A NE1 ASP 56.A OD1 no hydrogen 2.533 N/A VAL 59.A N VAL 7.A O no hydrogen 3.013 N/A VAL 60.A N GLY 68.A O no hydrogen 2.802 N/A ARG 61.A N GLU 5.A O no hydrogen 2.684 N/A ARG 61.A NE GLU 5.A OE2 no hydrogen 2.884 N/A ARG 61.A NH2 GLU 5.A OE1 no hydrogen 2.980 N/A ARG 61.A NH2 GLU 5.A OE2 no hydrogen 2.775 N/A SER 62.A N ARG 65.A O no hydrogen 2.686 N/A ARG 65.A N SER 62.A O no hydrogen 3.172 N/A VAL 66.A N GLN 19.A OE1 no hydrogen 2.929 N/A VAL 67.A N VAL 60.A O no hydrogen 2.717 N/A ALA 69.A N LEU 87.A O no hydrogen 2.987 N/A LEU 70.A N TRP 58.A O no hydrogen 2.848 N/A ARG 71.A N GLN 85.A O no hydrogen 2.691 N/A ARG 71.A NE ASP 57.A OD1 no hydrogen 2.883 N/A ARG 71.A NH1 SER 45.A OG no hydrogen 2.775 N/A ARG 71.A NH2 SER 45.A O no hydrogen 2.866 N/A ARG 71.A NH2 ASP 57.A OD2 no hydrogen 2.849 N/A LEU 72.A N ASP 56.A O no hydrogen 3.155 N/A ALA 73.A N ARG 82.A O no hydrogen 2.808 N/A LEU 74.A N ALA 54.A O no hydrogen 2.818 N/A ASP 76.A N ALA 52.A O no hydrogen 2.987 N/A ALA 78.A N PRO 75.A O no hydrogen 3.197 N/A ALA 81.A N THR 116.A O no hydrogen 2.717 N/A ARG 82.A N ALA 73.A O no hydrogen 3.042 N/A ARG 82.A NH1 ASP 84.A OD2 no hydrogen 2.565 N/A VAL 83.A N THR 118.A O no hydrogen 2.788 N/A ASP 84.A N ARG 71.A O no hydrogen 2.761 N/A GLN 85.A N ARG 71.A O no hydrogen 3.272 N/A LEU 87.A N ALA 69.A O no hydrogen 3.075 N/A HIS 89.A N VAL 67.A O no hydrogen 2.913 N/A ARG 92.A N HIS 89.A O no hydrogen 2.629 N/A ARG 93.A NH1 VAL 88.A O no hydrogen 2.674 N/A ALA 100.A N GLY 96.A O no hydrogen 2.919 N/A LEU 101.A N ILE 97.A O no hydrogen 2.848 N/A TRP 102.A N GLY 98.A O no hydrogen 2.887 N/A ALA 103.A N ARG 99.A O no hydrogen 2.930 N/A HIS 104.A N ALA 100.A O no hydrogen 2.944 N/A ALA 105.A N LEU 101.A O no hydrogen 2.723 N/A ARG 106.A N TRP 102.A O no hydrogen 2.947 N/A ARG 106.A NE GLU 322.A O no hydrogen 3.032 N/A ARG 106.A NH2 GLY 324.A O no hydrogen 3.335 N/A GLU 107.A N ALA 103.A O no hydrogen 3.196 N/A LEU 108.A N HIS 104.A O no hydrogen 2.849 N/A ALA 109.A N ALA 105.A O no hydrogen 2.896 N/A ARG 110.A N ARG 106.A O no hydrogen 3.024 N/A ARG 110.A NH1 ALA 323.A O no hydrogen 2.893 N/A LYS 111.A N GLU 107.A O no hydrogen 2.879 N/A HIS 112.A N LEU 108.A O no hydrogen 3.075 N/A HIS 112.A NE2 ASP 56.A OD2 no hydrogen 2.583 N/A ASP 113.A N ARG 110.A O no hydrogen 3.105 N/A ARG 114.A N ALA 109.A O no hydrogen 2.758 N/A ARG 114.A NE HIS 112.A O no hydrogen 3.005 N/A ARG 114.A NH1 PRO 75.A O no hydrogen 3.055 N/A ARG 114.A NH1 THR 80.A O no hydrogen 2.584 N/A ARG 114.A NH2 PRO 75.A O no hydrogen 3.252 N/A THR 115.A N PRO 79.A O no hydrogen 2.967 N/A THR 116.A N PRO 79.A O no hydrogen 3.333 N/A LEU 117.A N ALA 321.A O no hydrogen 2.909 N/A THR 118.A N ALA 81.A O no hydrogen 2.877 N/A ALA 119.A N TRP 319.A O no hydrogen 2.939 N/A VAL 121.A N VAL 317.A O no hydrogen 2.783 N/A GLU 123.A N ARG 315.A O no hydrogen 2.876 N/A GLN 131.A N SER 124.A OG no hydrogen 2.872 N/A GLY 134.A N ASP 132.A OD2 no hydrogen 2.913 N/A ALA 137.A N PRO 133.A O no hydrogen 2.933 N/A PHE 138.A N GLY 134.A O no hydrogen 2.641 N/A ALA 139.A N PRO 135.A O no hydrogen 2.654 N/A ALA 140.A N ALA 136.A O no hydrogen 2.883 N/A ALA 141.A N ALA 137.A O no hydrogen 3.030 N/A MET 142.A N PHE 138.A O no hydrogen 2.851 N/A GLY 143.A N ALA 140.A O no hydrogen 3.095 N/A ALA 144.A N ALA 139.A O no hydrogen 3.108 N/A HIS 145.A N THR 320.A O no hydrogen 2.868 N/A ARG 146.A NE GLU 123.A OE2 no hydrogen 2.916 N/A ARG 146.A NH2 GLU 123.A OE1 no hydrogen 3.082 N/A SER 147.A N PHE 318.A O no hydrogen 2.779 N/A SER 147.A OG PHE 318.A O no hydrogen 3.444 N/A ALA 151.A N GLU 296.A OE2 no hydrogen 3.157 N/A GLY 152.A N TRP 316.A O no hydrogen 2.912 N/A THR 153.A N ASN 294.A O no hydrogen 2.573 N/A HIS 154.A N ASP 314.A O no hydrogen 2.979 N/A HIS 154.A ND1 ASP 314.A OD2 no hydrogen 2.953 N/A HIS 154.A NE2 GLU 291.A OE1 no hydrogen 2.639 N/A GLN 155.A N THR 292.A O no hydrogen 2.755 N/A GLN 155.A NE2 THR 153.A O no hydrogen 3.108 N/A GLN 155.A NE2 ASN 294.A OD1 no hydrogen 2.841 N/A TRP 156.A N GLU 311.A O no hydrogen 2.795 N/A LEU 157.A N VAL 290.A O no hydrogen 2.863 N/A LEU 159.A N ARG 288.A O no hydrogen 2.777 N/A ASP 160.A N ASP 158.A OD1 no hydrogen 2.754 N/A ARG 161.A N ASP 158.A O no hydrogen 2.725 N/A HIS 162.A N ASP 158.A O no hydrogen 3.003 N/A LEU 165.A N ASP 163.A OD2 no hydrogen 2.741 N/A ALA 166.A N ASP 163.A O no hydrogen 3.079 N/A GLY 168.A N LEU 165.A O no hydrogen 2.960 N/A TYR 176.A N PRO 173.A O no hydrogen 2.983 N/A TYR 176.A OH HIS 263.A ND1 no hydrogen 2.856 N/A SER 177.A N VAL 229.A O no hydrogen 2.916 N/A SER 177.A OG ASP 231.A OD2 no hydrogen 2.915 N/A VAL 179.A N GLY 227.A O no hydrogen 2.765 N/A TRP 181.A N HIS 225.A O no hydrogen 2.912 N/A THR 185.A N GLU 213.A OE1 no hydrogen 2.793 N/A THR 185.A OG1 PRO 186.A O no hydrogen 3.565 N/A TYR 189.A N PRO 186.A O no hydrogen 2.913 N/A ALA 190.A N ASP 187.A O no hydrogen 3.287 N/A VAL 193.A N TYR 189.A O no hydrogen 2.906 N/A SER 194.A N ALA 190.A O no hydrogen 3.056 N/A SER 194.A OG VAL 191.A O no hydrogen 2.818 N/A GLU 195.A N VAL 191.A O no hydrogen 2.936 N/A LEU 196.A N PRO 192.A O no hydrogen 3.202 N/A LEU 196.A N VAL 193.A O no hydrogen 3.292 N/A GLN 202.A NE2 VAL 204.A O no hydrogen 3.053 N/A TYR 208.A OH GLU 213.A OE1 no hydrogen 2.689 N/A ARG 210.A NE GLU 213.A OE2 no hydrogen 3.088 N/A ARG 210.A NH2 THR 185.A O no hydrogen 2.697 N/A ARG 210.A NH2 GLU 213.A OE2 no hydrogen 3.001 N/A GLN 211.A NE2 ALA 49.A O no hydrogen 3.602 N/A PHE 212.A N ALA 209.A O no hydrogen 3.021 N/A THR 214.A N ARG 210.A O no hydrogen 2.974 N/A THR 214.A OG1 GLN 211.A O no hydrogen 3.189 N/A MET 215.A N GLN 211.A O no hydrogen 2.788 N/A ARG 216.A N PHE 212.A O no hydrogen 3.106 N/A VAL 217.A N GLU 213.A O no hydrogen 3.092 N/A GLY 218.A N THR 214.A O no hydrogen 2.948 N/A ARG 219.A N MET 215.A O no hydrogen 2.941 N/A ARG 219.A NE ASP 41.A OD2 no hydrogen 2.747 N/A ARG 219.A NH2 ASP 41.A OD2 no hydrogen 3.005 N/A GLY 220.A N VAL 217.A O no hydrogen 2.857 N/A ARG 221.A N ARG 216.A O no hydrogen 2.791 N/A ARG 221.A NE ASP 41.A OD2 no hydrogen 3.141 N/A ARG 221.A NH1 SER 243.A OG no hydrogen 3.116 N/A ARG 221.A NH2 ASP 41.A OD1 no hydrogen 3.058 N/A ARG 222.A N LYS 244.A O no hydrogen 2.789 N/A ARG 222.A NE GLU 284.A OE2 no hydrogen 3.361 N/A ARG 222.A NH2 GLU 284.A OE1 no hydrogen 3.045 N/A ARG 222.A NH2 GLU 284.A OE2 no hydrogen 3.266 N/A ALA 223.A N THR 183.A OG1 no hydrogen 3.168 N/A TYR 224.A N VAL 242.A O no hydrogen 2.690 N/A TYR 224.A OH GLU 284.A OE2 no hydrogen 2.675 N/A HIS 225.A N TRP 181.A O no hydrogen 2.727 N/A HIS 225.A ND1 TRP 181.A O no hydrogen 3.166 N/A HIS 225.A ND1 GLY 182.A O no hydrogen 2.562 N/A THR 226.A N THR 240.A O no hydrogen 3.383 N/A GLY 227.A N VAL 179.A O no hydrogen 2.550 N/A ALA 228.A N GLY 238.A O no hydrogen 2.693 N/A VAL 229.A N SER 177.A O no hydrogen 2.821 N/A HIS 230.A N ALA 235.A O no hydrogen 2.900 N/A HIS 230.A ND1 THR 233.A OG1 no hydrogen 2.925 N/A ASP 231.A N GLY 175.A O no hydrogen 2.787 N/A THR 233.A N HIS 230.A O no hydrogen 3.152 N/A THR 233.A OG1 HIS 230.A ND1 no hydrogen 2.925 N/A ALA 235.A N THR 233.A OG1 no hydrogen 3.408 N/A ALA 237.A N ALA 228.A O no hydrogen 2.774 N/A GLY 238.A N ALA 228.A O no hydrogen 3.371 N/A TYR 239.A N VAL 258.A O no hydrogen 3.133 N/A THR 240.A N THR 226.A O no hydrogen 3.104 N/A THR 240.A OG1 THR 257.A OG1 no hydrogen 2.857 N/A VAL 242.A N TYR 224.A O no hydrogen 2.936 N/A SER 243.A N LEU 253.A O no hydrogen 2.830 N/A LYS 244.A N ARG 222.A O no hydrogen 2.670 N/A LYS 244.A NZ THR 245.A O no hydrogen 2.851 N/A LYS 244.A NZ GLY 247.A O no hydrogen 3.154 N/A LYS 244.A NZ ASN 248.A O no hydrogen 2.983 N/A LYS 244.A NZ TYR 251.A O no hydrogen 3.197 N/A THR 245.A OG1 GLY 247.A O no hydrogen 2.789 N/A THR 246.A OG1 GLY 220.A O no hydrogen 2.802 N/A TYR 251.A N ASN 248.A O no hydrogen 3.011 N/A ALA 252.A N LEU 289.A O no hydrogen 2.938 N/A LEU 253.A N SER 243.A O no hydrogen 2.921 N/A GLN 254.A N GLU 291.A O no hydrogen 2.718 N/A GLN 254.A NE2 ASN 305.A OD1 no hydrogen 3.092 N/A GLY 255.A N SER 241.A O no hydrogen 2.646 N/A THR 257.A OG1 THR 240.A OG1 no hydrogen 2.857 N/A VAL 258.A N TYR 239.A O no hydrogen 3.010 N/A HIS 260.A N ALA 237.A O no hydrogen 2.752 N/A HIS 260.A NE2 GLU 262.A OE1 no hydrogen 3.244 N/A HIS 263.A N HIS 260.A O no hydrogen 2.760 N/A HIS 263.A ND1 TYR 176.A OH no hydrogen 2.856 N/A LEU 271.A N ALA 267.A O no hydrogen 3.171 N/A LEU 272.A N LEU 268.A O no hydrogen 2.748 N/A LYS 273.A N GLY 269.A O no hydrogen 3.045 N/A LYS 273.A NZ THR 257.A OG1 no hydrogen 2.894 N/A LEU 274.A N THR 270.A O no hydrogen 3.162 N/A ALA 275.A N LEU 271.A O no hydrogen 2.869 N/A ASN 276.A N LEU 272.A O no hydrogen 2.850 N/A ASN 276.A ND2 THR 226.A OG1 no hydrogen 2.585 N/A LEU 277.A N LYS 273.A O no hydrogen 2.839 N/A GLU 278.A N LEU 274.A O no hydrogen 3.040 N/A TYR 279.A N ALA 275.A O no hydrogen 3.080 N/A VAL 280.A N ASN 276.A O no hydrogen 2.915 N/A LEU 281.A N LEU 277.A O no hydrogen 2.942 N/A ARG 282.A N GLU 278.A O no hydrogen 3.166 N/A HIS 283.A N VAL 280.A O no hydrogen 2.849 N/A GLU 284.A N VAL 280.A O no hydrogen 2.677 N/A VAL 287.A N GLU 284.A O no hydrogen 3.169 N/A ARG 288.A N ALA 250.A O no hydrogen 3.207 N/A ARG 288.A NE ASP 160.A OD2 no hydrogen 2.998 N/A ARG 288.A NH1 VAL 287.A O no hydrogen 3.420 N/A ARG 288.A NH2 ASP 160.A OD2 no hydrogen 3.072 N/A LEU 289.A N ALA 250.A O no hydrogen 2.936 N/A VAL 290.A N LEU 157.A O no hydrogen 2.861 N/A GLU 291.A N ALA 252.A O no hydrogen 3.109 N/A THR 292.A N GLN 155.A O no hydrogen 3.151 N/A THR 292.A OG1 GLN 254.A O no hydrogen 2.848 N/A ASN 294.A N THR 153.A O no hydrogen 3.095 N/A GLU 296.A N ALA 151.A O no hydrogen 2.826 N/A ASN 298.A N ALA 295.A O no hydrogen 2.810 N/A ILE 302.A N ASN 298.A O no hydrogen 3.067 N/A ALA 303.A N HIS 299.A O no hydrogen 2.647 N/A VAL 304.A N PRO 300.A O no hydrogen 2.911 N/A ASN 305.A N MET 301.A O no hydrogen 2.767 N/A ASN 305.A ND2 ASN 294.A OD1 no hydrogen 2.751 N/A ALA 306.A N ILE 302.A O no hydrogen 2.929 N/A ALA 307.A N ALA 303.A O no hydrogen 3.203 N/A LEU 308.A N ASN 305.A O no hydrogen 2.894 N/A GLY 309.A N ALA 306.A O no hydrogen 2.821 N/A PHE 310.A N ASN 305.A O no hydrogen 3.103 N/A GLU 311.A N TRP 156.A O no hydrogen 2.750 N/A TYR 313.A N HIS 154.A O no hydrogen 2.928 N/A ASP 314.A N HIS 154.A O no hydrogen 3.485 N/A ARG 315.A N GLU 123.A O no hydrogen 2.872 N/A ARG 315.A NE GLU 296.A OE1 no hydrogen 3.253 N/A ARG 315.A NH2 GLU 296.A OE1 no hydrogen 3.205 N/A ARG 315.A NH2 GLU 296.A OE2 no hydrogen 3.241 N/A TRP 316.A N GLY 152.A O no hydrogen 2.850 N/A VAL 317.A N VAL 121.A O no hydrogen 2.841 N/A TRP 319.A N ALA 119.A O no hydrogen 2.772 N/A TRP 319.A NE1 GLU 123.A OE2 no hydrogen 2.957 N/A THR 320.A N HIS 145.A O no hydrogen 2.878 N/A ALA 321.A N LEU 117.A O no hydrogen 2.867 N/A ALA 323.A N THR 115.A O no hydrogen 3.040 N/A