Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wok_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 GLY 25.A O no hydrogen 2.834 N/A ASN 3.A ND2 TYR 65.A O no hydrogen 2.853 N/A VAL 4.A N ALA 27.A O no hydrogen 3.083 N/A LEU 5.A N ALA 69.A O no hydrogen 3.036 N/A VAL 6.A N VAL 29.A O no hydrogen 2.742 N/A VAL 7.A N ILE 71.A O no hydrogen 2.860 N/A GLY 8.A N TYR 31.A O no hydrogen 2.847 N/A GLY 9.A N VAL 6.A O no hydrogen 3.139 N/A ALA 10.A N ASP 32.A OD2 no hydrogen 2.889 N/A GLY 11.A N GLY 8.A O no hydrogen 3.193 N/A SER 15.A N GLY 11.A O no hydrogen 2.975 N/A SER 15.A OG GLY 11.A O no hydrogen 2.634 N/A SER 15.A OG PHE 12.A O no hydrogen 3.100 N/A HIS 16.A N PHE 12.A O no hydrogen 3.346 N/A HIS 16.A ND1 PHE 12.A O no hydrogen 2.838 N/A THR 17.A N ILE 13.A O no hydrogen 2.981 N/A THR 17.A OG1 ILE 13.A O no hydrogen 2.846 N/A ALA 18.A N GLY 14.A O no hydrogen 2.868 N/A LYS 19.A N SER 15.A O no hydrogen 2.981 N/A LYS 19.A NZ.B ASP 175.A OD1 no hydrogen 3.039 N/A LEU 20.A N HIS 16.A O no hydrogen 3.071 N/A LEU 21.A N THR 17.A O no hydrogen 2.814 N/A ALA 22.A N ALA 18.A O no hydrogen 3.048 N/A GLY 23.A N LYS 19.A O no hydrogen 3.107 N/A GLN 24.A N LEU 20.A O no hydrogen 3.060 N/A GLN 24.A N LEU 21.A O no hydrogen 2.966 N/A GLY 25.A N ALA 22.A O no hydrogen 3.213 N/A TYR 26.A N LEU 21.A O no hydrogen 2.992 N/A TYR 26.A OH GLU 238.A OE1 no hydrogen 2.349 N/A ALA 27.A N ASN 2.A O no hydrogen 2.961 N/A VAL 29.A N VAL 4.A O no hydrogen 2.791 N/A VAL 30.A N ASP 46.A O no hydrogen 3.055 N/A TYR 31.A N VAL 6.A O no hydrogen 3.119 N/A TYR 31.A OH ASP 51.A O no hydrogen 2.704 N/A ASP 32.A N VAL 48.A O no hydrogen 3.253 N/A ASN 33.A ND2 ASP 51.A OD2 no hydrogen 3.011 N/A LEU 34.A N ASP 32.A OD1 no hydrogen 2.793 N/A SER 35.A N ASN 33.A OD1 no hydrogen 2.951 N/A SER 35.A OG ASN 33.A OD1 no hydrogen 2.648 N/A THR 36.A OG1 SER 76.A OG.A no hydrogen 2.682 N/A HIS 38.A N ALA 10.A O no hydrogen 2.986 N/A HIS 38.A NE2 LYS 183.A O no hydrogen 2.707 N/A ALA 41.A N HIS 38.A O no hydrogen 2.884 N/A VAL 42.A N GLN 39.A O no hydrogen 3.054 N/A ARG 43.A NE SER 40.A O no hydrogen 2.839 N/A ARG 43.A NH1 GLU 179.A O no hydrogen 2.737 N/A ARG 43.A NH2 GLU 179.A O no hydrogen 3.131 N/A VAL 48.A N VAL 30.A O no hydrogen 2.815 N/A GLY 50.A N ASP 32.A O no hydrogen 3.027 N/A LEU 53.A N ASP 51.A OD1 no hydrogen 2.867 N/A ASP 54.A N ASP 51.A O no hydrogen 2.931 N/A ARG 57.A N ASP 54.A OD1 no hydrogen 3.303 N/A ARG 57.A NE GLU 49.A O no hydrogen 2.742 N/A ARG 57.A NH2 GLU 49.A O no hydrogen 3.175 N/A LEU 58.A N ASP 54.A O no hydrogen 3.035 N/A VAL 59.A N GLN 55.A O no hydrogen 2.887 N/A GLU 60.A N ALA 56.A O no hydrogen 2.870 N/A THR 61.A N ARG 57.A O no hydrogen 3.029 N/A THR 61.A OG1 ARG 57.A O no hydrogen 2.827 N/A MET 62.A N LEU 58.A O no hydrogen 2.945 N/A GLU 63.A N VAL 59.A O no hydrogen 2.849 N/A LYS 64.A N GLU 60.A O no hydrogen 2.908 N/A TYR 65.A N THR 61.A O no hydrogen 2.987 N/A TYR 65.A OH ASP 46.A OD2 no hydrogen 2.690 N/A ALA 66.A N MET 62.A O no hydrogen 2.793 N/A VAL 68.A N ASN 3.A O no hydrogen 2.843 N/A VAL 70.A N ASN 111.A O no hydrogen 2.704 N/A ILE 71.A N LEU 5.A O no hydrogen 2.872 N/A HIS 72.A N ILE 113.A O no hydrogen 2.797 N/A HIS 72.A NE2 THR 97.A OG1 no hydrogen 2.986 N/A PHE 73.A N VAL 7.A O no hydrogen 2.771 N/A ALA 74.A N HIS 72.A ND1 no hydrogen 3.240 N/A ALA 75.A N.A PHE 73.A O no hydrogen 2.895 N/A SER 76.A N.B ASN 93.A OD1 no hydrogen 3.003 N/A SER 76.A OG.A THR 36.A OG1 no hydrogen 2.682 N/A TYR 78.A N.A TYR 89.A OH no hydrogen 2.906 N/A TYR 78.A N.B TYR 89.A OH no hydrogen 2.763 N/A SER 82.A N TYR 78.A O.B no hydrogen 3.084 N/A SER 82.A N VAL 79.A O.B no hydrogen 2.871 N/A SER 82.A OG VAL 79.A O.B no hydrogen 2.775 N/A ASP 85.A N GLU 81.A O no hydrogen 2.819 N/A LYS 88.A N ASP 85.A OD1 no hydrogen 3.144 N/A LYS 88.A NZ GLU 81.A OE1 no hydrogen 3.422 N/A LYS 88.A NZ GLU 81.A OE2 no hydrogen 2.622 N/A TYR 89.A OH GLU 81.A OE1 no hydrogen 2.530 N/A TYR 90.A N PRO 86.A O no hydrogen 2.905 N/A ARG 91.A N ALA 87.A O no hydrogen 2.916 N/A ASN 92.A N LYS 88.A O no hydrogen 2.961 N/A ASN 92.A ND2 SER 76.A OG.B no hydrogen 3.062 N/A ASN 93.A N TYR 89.A O no hydrogen 2.828 N/A ASN 93.A ND2 SER 76.A O.B no hydrogen 3.000 N/A ASN 93.A ND2 THR 144.A OG1 no hydrogen 3.069 N/A VAL 94.A N TYR 90.A O no hydrogen 3.112 N/A GLY 95.A N TYR 90.A O no hydrogen 3.040 N/A GLY 96.A N ARG 91.A O no hydrogen 2.913 N/A THR 97.A OG1 HIS 72.A NE2 no hydrogen 2.986 N/A THR 97.A OG1 ASN 93.A O no hydrogen 2.729 N/A GLN 98.A N VAL 94.A O no hydrogen 2.905 N/A GLN 98.A NE2 TYR 155.A OH no hydrogen 3.271 N/A SER 99.A N GLY 95.A O no hydrogen 3.014 N/A SER 99.A OG ILE 52.A O no hydrogen 2.619 N/A LEU 100.A N GLY 96.A O no hydrogen 3.032 N/A LEU 101.A N THR 97.A O no hydrogen 2.830 N/A ASP 102.A N GLN 98.A O no hydrogen 2.798 N/A ALA 103.A N SER 99.A O no hydrogen 2.971 N/A CYS 104.A N LEU 100.A O no hydrogen 2.946 N/A CYS 104.A SG LEU 100.A O no hydrogen 3.408 N/A ARG 105.A N LEU 101.A O no hydrogen 3.002 N/A ARG 105.A NE ASP 102.A OD1 no hydrogen 2.804 N/A ARG 105.A NH2 ASP 102.A OD1 no hydrogen 3.164 N/A LEU 106.A N ASP 102.A O no hydrogen 2.900 N/A THR 107.A N CYS 104.A O no hydrogen 3.126 N/A THR 107.A OG1 ALA 103.A O no hydrogen 2.807 N/A THR 107.A OG1 CYS 104.A O no hydrogen 3.310 N/A THR 107.A OG1 THR 109.A OG1 no hydrogen 2.764 N/A ARG 108.A N ARG 105.A O no hydrogen 3.390 N/A THR 109.A N CYS 104.A O no hydrogen 2.864 N/A THR 109.A OG1 THR 107.A OG1 no hydrogen 2.764 N/A GLN 110.A NE2 GLY 160.A O no hydrogen 2.495 N/A ASN 111.A ND2 VAL 68.A O no hydrogen 3.024 N/A VAL 112.A N ARG 162.A O no hydrogen 2.911 N/A ILE 113.A N VAL 70.A O no hydrogen 2.716 N/A PHE 114.A N VAL 164.A O no hydrogen 2.841 N/A SER 115.A N HIS 72.A O no hydrogen 3.147 N/A SER 115.A OG TYR 168.A OH no hydrogen 2.701 N/A SER 115.A OG HIS 233.A NE2 no hydrogen 2.735 N/A SER 116.A N LEU 166.A O no hydrogen 2.711 N/A SER 116.A OG GLU 149.A OE2 no hydrogen 2.622 N/A CYS 118.A N TYR 168.A O no hydrogen 2.994 N/A CYS 118.A SG ASN 250.A OD1 no hydrogen 4.003 N/A ALA 119.A N SER 117.A OG no hydrogen 2.878 N/A THR 120.A N SER 117.A O no hydrogen 3.275 N/A THR 120.A OG1 SER 117.A O no hydrogen 2.983 N/A TYR 121.A N CYS 118.A O no hydrogen 3.178 N/A TYR 121.A OH ASN 250.A OD1 no hydrogen 2.706 N/A GLY 122.A N ALA 119.A O no hydrogen 3.364 N/A SER 125.A N GLU 133.A OE2 no hydrogen 3.074 N/A SER 125.A OG GLU 133.A OE2 no hydrogen 3.097 N/A ILE 129.A N TYR 290.A O no hydrogen 2.994 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.702 N/A GLU 133.A N GLY 130.A O no hydrogen 3.068 N/A GLN 135.A NE2 THR 120.A OG1 no hydrogen 2.916 N/A GLN 135.A NE2 GLU 149.A OE1 no hydrogen 3.070 N/A ASN 136.A N TYR 121.A O no hydrogen 3.189 N/A TYR 141.A N SER 82.A OG no hydrogen 3.058 N/A GLY 142.A N ASN 139.A OD1 no hydrogen 2.852 N/A ARG 143.A N ASN 139.A O no hydrogen 2.883 N/A THR 144.A N PRO 140.A O no hydrogen 2.748 N/A THR 144.A OG1 PRO 140.A O no hydrogen 3.159 N/A THR 144.A OG1 TYR 141.A O no hydrogen 2.973 N/A LYS 145.A N TYR 141.A O no hydrogen 3.095 N/A LYS 145.A NZ SER 115.A O no hydrogen 3.150 N/A LEU 146.A N GLY 142.A O no hydrogen 3.049 N/A ILE 147.A N ARG 143.A O no hydrogen 2.995 N/A ALA 148.A N THR 144.A O no hydrogen 3.075 N/A GLU 149.A N LYS 145.A O no hydrogen 3.067 N/A HIS 150.A N LEU 146.A O no hydrogen 3.030 N/A MET 151.A N ILE 147.A O no hydrogen 2.817 N/A LEU 152.A N ALA 148.A O no hydrogen 2.906 N/A ALA 153.A N GLU 149.A O no hydrogen 3.137 N/A ASP 154.A N HIS 150.A O no hydrogen 2.951 N/A TYR 155.A N MET 151.A O no hydrogen 2.850 N/A TYR 155.A OH ASP 102.A OD1 no hydrogen 2.638 N/A ALA 156.A N LEU 152.A O no hydrogen 2.915 N/A VAL 157.A N ALA 153.A O no hydrogen 3.047 N/A ALA 158.A N ASP 154.A O no hydrogen 2.974 N/A TYR 159.A N TYR 155.A O no hydrogen 2.766 N/A GLY 160.A N ALA 156.A O no hydrogen 2.944 N/A ARG 162.A N GLN 110.A O no hydrogen 3.319 N/A ARG 162.A N GLN 110.A OE1 no hydrogen 2.964 N/A ARG 162.A NE ASN 111.A OD1 no hydrogen 3.124 N/A ARG 162.A NH2 ASN 111.A OD1 no hydrogen 3.210 N/A TYR 163.A N ASN 246.A OD1 no hydrogen 2.968 N/A VAL 164.A N VAL 112.A O no hydrogen 3.051 N/A ALA 165.A N LEU 247.A O no hydrogen 2.814 N/A LEU 166.A N PHE 114.A O no hydrogen 2.884 N/A ARG 167.A N VAL 249.A O no hydrogen 2.930 N/A ARG 167.A NE GLU 149.A OE1 no hydrogen 3.257 N/A ARG 167.A NE GLU 149.A OE2 no hydrogen 2.859 N/A ARG 167.A NH1 TYR 121.A OH no hydrogen 2.897 N/A ARG 167.A NH2 GLU 149.A OE1 no hydrogen 2.850 N/A TYR 168.A OH SER 115.A OG no hydrogen 2.701 N/A ASN 170.A ND2 ASP 222.A O no hydrogen 3.000 N/A SER 172.A N ILE 224.A O no hydrogen 2.879 N/A SER 172.A OG.A ILE 224.A O no hydrogen 3.201 N/A ALA 174.A N THR 315.A OG1 no hydrogen 3.146 N/A ASP 175.A N HIS 16.A NE2 no hydrogen 2.967 N/A ASP 177.A N ASP 175.A OD2 no hydrogen 2.901 N/A GLY 178.A N ASP 175.A O no hydrogen 3.047 N/A HIS 189.A N GLU 187.A OE2 no hydrogen 2.879 N/A ARG 193.A N HIS 189.A O no hydrogen 3.004 N/A ALA 194.A N LEU 190.A O no hydrogen 2.822 N/A MET 195.A N ILE 191.A O no hydrogen 2.987 N/A MET 196.A N PRO 192.A O no hydrogen 2.869 N/A ALA 197.A N ARG 193.A O no hydrogen 2.908 N/A ALA 198.A N ALA 194.A O no hydrogen 2.981 N/A ALA 199.A N MET 195.A O no hydrogen 2.813 N/A GLY 200.A N ALA 197.A O no hydrogen 3.087 N/A ARG 201.A N MET 196.A O no hydrogen 2.721 N/A LEU 202.A N MET 196.A O no hydrogen 3.151 N/A LEU 205.A N PRO 275.A O no hydrogen 3.115 N/A VAL 207.A N ALA 277.A O no hydrogen 2.943 N/A TYR 208.A OH GLU 206.A OE1 no hydrogen 3.308 N/A TYR 212.A N GLY 217.A O no hydrogen 2.726 N/A TYR 212.A OH TYR 208.A O no hydrogen 3.013 N/A TYR 212.A OH ASP 285.A OD2 no hydrogen 2.649 N/A THR 214.A OG1 THR 218.A O no hydrogen 2.627 N/A GLY 217.A N THR 214.A O no hydrogen 2.939 N/A THR 218.A N ASP 216.A OD1 no hydrogen 2.888 N/A THR 218.A OG1 ASP 216.A OD1 no hydrogen 2.818 N/A ILE 220.A N PRO 287.A O no hydrogen 2.694 N/A ARG 221.A N THR 257.A O no hydrogen 2.949 N/A ARG 221.A NH1 ILE 220.A O no hydrogen 2.787 N/A ARG 221.A NH1 PRO 286.A O no hydrogen 2.979 N/A ARG 221.A NH2 PRO 286.A O no hydrogen 2.779 N/A ILE 224.A N ASN 170.A O no hydrogen 2.892 N/A HIS 225.A N SER 307.A OG no hydrogen 2.823 N/A HIS 225.A NE2 THR 315.A OG1 no hydrogen 3.020 N/A VAL 226.A N SER 172.A O no hydrogen 2.754 N/A THR 227.A N HIS 225.A ND1 no hydrogen 2.972 N/A LEU 229.A N HIS 225.A O no hydrogen 3.044 N/A ALA 230.A N VAL 226.A O no hydrogen 2.846 N/A ARG 231.A N THR 227.A O no hydrogen 2.890 N/A ARG 231.A NH1 ASP 228.A OD1 no hydrogen 2.794 N/A ARG 231.A NH1 HIS 303.A O no hydrogen 2.867 N/A ARG 231.A NH2 HIS 303.A O no hydrogen 3.391 N/A ALA 232.A N ASP 228.A O no hydrogen 3.013 N/A HIS 233.A N LEU 229.A O no hydrogen 3.036 N/A HIS 233.A ND1 LEU 229.A O no hydrogen 2.693 N/A HIS 233.A NE2 SER 115.A OG no hydrogen 2.735 N/A VAL 234.A N ALA 230.A O no hydrogen 3.075 N/A LEU 235.A N ARG 231.A O no hydrogen 2.856 N/A ALA 236.A N ALA 232.A O no hydrogen 2.867 N/A VAL 237.A N HIS 233.A O no hydrogen 3.159 N/A GLU 238.A N VAL 234.A O no hydrogen 2.972 N/A HIS 239.A N LEU 235.A O no hydrogen 2.860 N/A HIS 239.A NE2 GLY 245.A O no hydrogen 2.804 N/A LEU 240.A N ALA 236.A O no hydrogen 3.173 N/A LYS 241.A N VAL 237.A O no hydrogen 2.934 N/A LYS 241.A NZ TYR 26.A OH no hydrogen 3.085 N/A GLU 242.A N GLU 238.A O no hydrogen 2.892 N/A ALA 243.A N LEU 240.A O no hydrogen 3.188 N/A GLY 244.A N HIS 239.A O no hydrogen 2.834 N/A LEU 247.A N TYR 163.A O no hydrogen 3.129 N/A VAL 249.A N ALA 165.A O no hydrogen 3.089 N/A ASN 250.A N GLU 131.A OE2 no hydrogen 2.794 N/A ASN 250.A ND2 ASP 292.A O no hydrogen 3.328 N/A LEU 251.A N ARG 167.A O no hydrogen 2.680 N/A ARG 255.A N THR 253.A OG1 no hydrogen 3.104 N/A THR 257.A N ARG 221.A O no hydrogen 2.769 N/A SER 258.A N GLU 261.A OE2 no hydrogen 2.853 N/A SER 258.A OG ASP 216.A OD1 no hydrogen 3.536 N/A SER 258.A OG ASP 216.A OD2 no hydrogen 2.527 N/A SER 258.A OG GLU 261.A OE2 no hydrogen 3.472 N/A ILE 259.A N CYS 219.A O no hydrogen 3.233 N/A ARG 260.A N THR 218.A OG1 no hydrogen 3.144 N/A GLU 261.A N SER 258.A OG no hydrogen 3.115 N/A ILE 262.A N SER 258.A O no hydrogen 3.218 N/A VAL 263.A N ILE 259.A O no hydrogen 2.913 N/A GLN 264.A N ARG 260.A O no hydrogen 2.753 N/A SER 265.A N GLU 261.A O no hydrogen 2.812 N/A ILE 266.A N ILE 262.A O no hydrogen 2.942 N/A GLY 267.A N VAL 263.A O no hydrogen 3.080 N/A ARG 268.A N GLN 264.A O no hydrogen 3.032 N/A LEU 269.A N SER 265.A O no hydrogen 2.933 N/A THR 270.A N ILE 266.A O no hydrogen 2.956 N/A THR 270.A OG1 ILE 266.A O no hydrogen 2.612 N/A GLY 271.A N GLY 267.A O no hydrogen 2.827 N/A ARG 272.A N THR 270.A OG1 no hydrogen 3.240 N/A VAL 276.A N VAL 274.A O no hydrogen 2.804 N/A ALA 277.A N LEU 205.A O no hydrogen 2.797 N/A ARG 279.A N VAL 207.A O no hydrogen 2.780 N/A ARG 279.A NE.B GLU 206.A OE2 no hydrogen 3.129 N/A ARG 279.A NH1.A GLU 206.A OE2 no hydrogen 2.763 N/A ARG 281.A NE ASP 211.A OD1 no hydrogen 3.003 N/A ARG 281.A NH2 ASP 211.A OD2 no hydrogen 2.943 N/A ASP 285.A N ARG 282.A O no hydrogen 3.264 N/A LEU 289.A N ILE 220.A O no hydrogen 3.028 N/A ALA 291.A N ASP 222.A OD2 no hydrogen 2.750 N/A ASP 292.A N ILE 129.A O no hydrogen 2.890 N/A ALA 294.A N ASP 292.A OD1 no hydrogen 3.249 N/A ALA 297.A N PRO 293.A O no hydrogen 3.279 N/A GLU 298.A N ALA 294.A O no hydrogen 2.997 N/A LYS 299.A N LEU 295.A O no hydrogen 2.814 N/A LEU 300.A N ALA 296.A O no hydrogen 2.860 N/A PHE 302.A N ALA 296.A O no hydrogen 3.331 N/A VAL 305.A N ASP 228.A OD1 no hydrogen 2.942 N/A TYR 306.A N ASP 228.A OD2 no hydrogen 2.888 N/A SER 307.A OG ASP 228.A OD2 no hydrogen 2.561 N/A THR 311.A N ASP 308.A OD2 no hydrogen 3.059 N/A THR 311.A OG1 ASP 308.A OD1 no hydrogen 3.042 N/A THR 311.A OG1 ASP 308.A OD2 no hydrogen 2.693 N/A ILE 312.A N ASP 308.A O no hydrogen 3.088 N/A ILE 313.A N LEU 309.A O no hydrogen 2.801 N/A ARG 314.A N ASP 310.A O no hydrogen 2.857 N/A ARG 314.A NE ASP 310.A OD1.B no hydrogen 3.427 N/A ARG 314.A NH2 ASP 310.A OD1.B no hydrogen 3.255 N/A ARG 314.A NH2 ASP 310.A OD2.B no hydrogen 2.256 N/A THR 315.A N THR 311.A O no hydrogen 2.995 N/A THR 315.A OG1 ALA 174.A O no hydrogen 3.186 N/A THR 315.A OG1 HIS 225.A NE2 no hydrogen 3.020 N/A THR 315.A OG1 THR 311.A O no hydrogen 2.818 N/A THR 315.A OG1 ILE 312.A O no hydrogen 3.382 N/A ALA 316.A N ILE 312.A O no hydrogen 3.178 N/A ALA 317.A N ILE 313.A O no hydrogen 2.947 N/A HIS 319.A N ALA 316.A O no hydrogen 2.894 N/A PHE 320.A N ALA 317.A O no hydrogen 2.991 N/A LEU 322.A N ALA 317.A O no hydrogen 3.247 N/A ARG 325.A N LEU 269.A O no hydrogen 2.881 N/A