Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2w0u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ASP 6.A OD2 no hydrogen 3.625 N/A ASP 6.A N CYS 3.A O no hydrogen 3.172 N/A TYR 7.A N ILE 4.A O no hydrogen 2.979 N/A GLU 8.A N ILE 4.A O no hydrogen 3.434 N/A HIS 10.A N ASP 6.A O no hydrogen 3.100 N/A ALA 11.A N TYR 7.A O no hydrogen 2.875 N/A LYS 12.A N GLU 8.A O no hydrogen 2.922 N/A SER 13.A OG GLN 9.A O no hydrogen 3.531 N/A VAL 14.A N HIS 10.A O no hydrogen 3.222 N/A LEU 15.A N ALA 11.A O no hydrogen 2.920 N/A LYS 17.A NZ ASP 21.A OD2 no hydrogen 2.731 N/A ILE 19.A N PRO 16.A O no hydrogen 2.722 N/A TYR 20.A N PRO 16.A O no hydrogen 2.985 N/A TYR 20.A OH GLU 8.A OE2 no hydrogen 2.952 N/A ASP 21.A N LYS 17.A O no hydrogen 2.855 N/A TYR 22.A N SER 18.A O no hydrogen 3.414 N/A TYR 23.A N ILE 19.A O no hydrogen 3.234 N/A TYR 23.A OH MET 78.A O no hydrogen 2.638 N/A ARG 24.A N TYR 20.A O no hydrogen 2.902 N/A ARG 24.A NH1 GLU 30.A OE1 no hydrogen 3.343 N/A ARG 24.A NH2 GLU 30.A OE2 no hydrogen 2.684 N/A ARG 24.A NH2 ASP 165.A OD2 no hydrogen 3.156 N/A SER 25.A N ASP 21.A O no hydrogen 3.020 N/A SER 25.A OG ASP 21.A O no hydrogen 3.309 N/A GLY 26.A N GLU 30.A OE2 no hydrogen 3.148 N/A ALA 27.A N ALA 233.A O no hydrogen 2.821 N/A ASN 28.A N ASN 162.A O no hydrogen 2.757 N/A GLU 30.A N ALA 27.A O no hydrogen 2.881 N/A GLU 31.A N ASP 237.A OD1 no hydrogen 3.199 N/A THR 32.A N ASP 237.A OD2 no hydrogen 2.831 N/A THR 32.A OG1 ASP 237.A OD2 no hydrogen 3.174 N/A THR 32.A OG1 VAL 239.A O no hydrogen 2.780 N/A ALA 34.A N GLU 30.A O no hydrogen 3.379 N/A ASP 35.A N GLU 31.A O no hydrogen 3.163 N/A ASN 36.A N THR 32.A O no hydrogen 2.850 N/A ASN 36.A ND2 ASN 230.A OD1 no hydrogen 3.190 N/A ALA 38.A N ALA 34.A O no hydrogen 3.014 N/A ALA 39.A N ASP 35.A O no hydrogen 2.897 N/A PHE 40.A N ILE 37.A O no hydrogen 3.122 N/A SER 41.A N ALA 38.A O no hydrogen 2.945 N/A ARG 42.A N ALA 39.A O no hydrogen 3.019 N/A ARG 42.A NH1 ASP 35.A OD1 no hydrogen 3.370 N/A ARG 42.A NH2 ASP 35.A OD1 no hydrogen 2.853 N/A ARG 42.A NH2 ASP 244.A OD2 no hydrogen 3.360 N/A TRP 43.A N PHE 40.A O no hydrogen 3.212 N/A LYS 44.A N ARG 332.A O no hydrogen 2.973 N/A LYS 44.A NZ SER 41.A O no hydrogen 2.918 N/A TYR 46.A N LEU 330.A O no hydrogen 2.742 N/A ARG 48.A N SER 318.A O no hydrogen 3.031 N/A ARG 48.A NH1 ASP 327.A OD2 no hydrogen 2.844 N/A ARG 48.A NH2 ASP 327.A OD1 no hydrogen 3.283 N/A ARG 48.A NH2 ASP 327.A OD2 no hydrogen 3.341 N/A ALA 54.A N ASN 52.A OD1 no hydrogen 3.071 N/A THR 56.A OG1 VAL 53.A O no hydrogen 3.270 N/A ASP 57.A N GLN 321.A O no hydrogen 2.713 N/A SER 59.A N ASP 57.A OD1 no hydrogen 3.004 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 2.657 N/A SER 59.A OG ASP 57.A OD2 no hydrogen 3.067 N/A THR 60.A N VAL 67.A O no hydrogen 3.185 N/A SER 61.A N THR 60.A OG1 no hydrogen 2.729 N/A VAL 62.A N GLN 65.A O no hydrogen 2.834 N/A LEU 63.A N GLU 258.A OE1 no hydrogen 2.853 N/A GLN 65.A N VAL 62.A O no hydrogen 3.085 N/A ARG 66.A NH2 SER 59.A OG no hydrogen 3.147 N/A VAL 67.A N THR 60.A O no hydrogen 2.842 N/A SER 68.A N GLY 98.A O no hydrogen 2.764 N/A SER 68.A OG LEU 97.A O no hydrogen 2.495 N/A CYS 72.A N VAL 282.A O no hydrogen 2.976 N/A CYS 72.A SG THR 99.A OG1 no hydrogen 3.613 N/A VAL 73.A N GLY 100.A O no hydrogen 3.030 N/A GLY 74.A N VAL 284.A O no hydrogen 2.905 N/A MET 78.A N TRP 106.A O no hydrogen 3.217 N/A GLN 79.A N GLU 87.A OE2 no hydrogen 3.304 N/A GLN 79.A NE2 THR 76.A O no hydrogen 3.570 N/A GLN 79.A NE2 THR 76.A OG1 no hydrogen 2.988 N/A ARG 80.A N THR 108.A OG1 no hydrogen 2.959 N/A ARG 80.A NE VAL 84.A O no hydrogen 2.820 N/A ARG 80.A NH2 THR 108.A O no hydrogen 2.949 N/A MET 81.A N MET 78.A O no hydrogen 3.507 N/A ALA 82.A N GLN 79.A O no hydrogen 3.108 N/A ASP 85.A N HIS 83.A ND1 no hydrogen 3.138 N/A GLY 86.A N HIS 83.A O no hydrogen 2.969 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.913 N/A LEU 88.A N ASP 85.A O no hydrogen 3.058 N/A ALA 89.A N GLY 86.A O no hydrogen 3.094 N/A THR 90.A N GLY 86.A O no hydrogen 3.292 N/A THR 90.A OG1 GLN 79.A OE1 no hydrogen 2.609 N/A THR 90.A OG1 GLY 86.A O no hydrogen 3.283 N/A VAL 91.A N GLU 87.A O no hydrogen 3.007 N/A ARG 92.A N LEU 88.A O no hydrogen 3.223 N/A ALA 93.A N ALA 89.A O no hydrogen 2.992 N/A CYS 94.A N THR 90.A O no hydrogen 3.037 N/A CYS 94.A SG THR 90.A O no hydrogen 3.409 N/A CYS 94.A SG GLY 100.A O no hydrogen 3.860 N/A GLN 95.A N VAL 91.A O no hydrogen 3.041 N/A SER 96.A N ARG 92.A O no hydrogen 3.070 N/A SER 96.A OG ARG 92.A O no hydrogen 3.152 N/A LEU 97.A N ALA 93.A O no hydrogen 3.117 N/A GLY 98.A N CYS 94.A O no hydrogen 2.898 N/A THR 99.A N CYS 94.A O no hydrogen 3.096 N/A THR 99.A OG1 ILE 71.A O no hydrogen 2.637 N/A MET 101.A N LEU 122.A O no hydrogen 2.966 N/A MET 102.A N VAL 73.A O no hydrogen 2.916 N/A LEU 103.A N TRP 124.A O no hydrogen 2.784 N/A SER 104.A OG SER 105.A O no hydrogen 2.681 N/A SER 105.A N GLN 126.A OE1 no hydrogen 3.003 N/A SER 105.A OG GLN 126.A OE1 no hydrogen 2.926 N/A THR 108.A N GLU 87.A OE2 no hydrogen 3.189 N/A THR 108.A OG1 GLU 87.A OE1 no hydrogen 2.888 N/A THR 108.A OG1 GLU 87.A OE2 no hydrogen 3.251 N/A SER 109.A OG GLU 87.A OE1 no hydrogen 2.730 N/A GLU 113.A N SER 110.A OG no hydrogen 3.129 N/A VAL 114.A N SER 110.A O no hydrogen 3.106 N/A ALA 115.A N ILE 111.A O no hydrogen 3.165 N/A GLU 116.A N GLU 112.A O no hydrogen 3.178 N/A ALA 117.A N GLU 113.A O no hydrogen 3.071 N/A GLY 118.A N VAL 114.A O no hydrogen 3.061 N/A GLU 120.A N GLN 95.A OE1 no hydrogen 3.038 N/A ALA 121.A N GLY 118.A O no hydrogen 3.373 N/A ARG 123.A NE GLY 118.A O no hydrogen 3.016 N/A ARG 123.A NH1 MET 146.A O no hydrogen 2.898 N/A ARG 123.A NH2 PRO 119.A O no hydrogen 3.206 N/A ARG 123.A NH2 MET 146.A O no hydrogen 3.569 N/A TRP 124.A N MET 101.A O no hydrogen 2.919 N/A LEU 125.A N ALA 150.A O no hydrogen 3.007 N/A GLN 126.A N LEU 103.A O no hydrogen 2.764 N/A LEU 127.A N PHE 152.A O no hydrogen 2.835 N/A TYR 130.A N THR 136.A OG1 no hydrogen 2.912 N/A LYS 131.A N ALA 183.A O no hydrogen 2.849 N/A LYS 131.A NZ ALA 181.A O no hydrogen 2.410 N/A ARG 133.A NH1 TYR 130.A O no hydrogen 2.803 N/A ARG 133.A NH1 ASP 185.A OD1 no hydrogen 2.950 N/A ARG 133.A NH2 ASP 185.A OD1 no hydrogen 3.055 N/A ARG 133.A NH2 ASP 192.A OD2 no hydrogen 2.496 N/A GLU 134.A N ASP 132.A OD2 no hydrogen 3.270 N/A VAL 135.A N ASP 132.A O no hydrogen 3.164 N/A THR 136.A OG1 TYR 128.A O no hydrogen 3.146 N/A LYS 137.A N ARG 133.A O no hydrogen 2.941 N/A LYS 138.A N GLU 134.A O no hydrogen 2.805 N/A LEU 139.A N VAL 135.A O no hydrogen 3.140 N/A VAL 140.A N THR 136.A O no hydrogen 3.064 N/A ARG 141.A N LYS 137.A O no hydrogen 3.057 N/A ARG 141.A NE GLU 144.A OE1 no hydrogen 3.108 N/A ARG 141.A NH2 GLU 144.A OE1 no hydrogen 2.751 N/A ARG 141.A NH2 LEU 199.A O no hydrogen 2.699 N/A GLN 142.A N LYS 138.A O no hydrogen 2.763 N/A ALA 143.A N LEU 139.A O no hydrogen 2.867 N/A GLU 144.A N VAL 140.A O no hydrogen 3.006 N/A LYS 145.A N ARG 141.A O no hydrogen 2.933 N/A MET 146.A N GLN 142.A O no hydrogen 2.761 N/A TYR 148.A N ALA 143.A O no hydrogen 2.915 N/A TYR 148.A OH ILE 111.A O no hydrogen 2.867 N/A LYS 149.A N ARG 123.A O no hydrogen 2.766 N/A ILE 151.A N PRO 203.A O no hydrogen 2.910 N/A PHE 152.A N LEU 125.A O no hydrogen 2.691 N/A VAL 153.A N VAL 205.A O no hydrogen 2.957 N/A THR 154.A N LEU 127.A O no hydrogen 3.100 N/A VAL 155.A N LYS 207.A O no hydrogen 3.026 N/A THR 157.A OG1 ASP 156.A OD2 no hydrogen 2.648 N/A GLY 161.A N GLN 235.A OE1 no hydrogen 3.034 N/A ARG 163.A NE ARG 234.A O no hydrogen 3.010 N/A ARG 163.A NH2 ARG 234.A O no hydrogen 3.268 N/A ASP 166.A N ARG 163.A O no hydrogen 3.082 N/A VAL 167.A N LEU 164.A O no hydrogen 3.187 N/A ARG 168.A N LEU 164.A O no hydrogen 3.209 N/A ASN 169.A N ASP 165.A O no hydrogen 3.491 N/A ALA 181.A N ALA 177.A O no hydrogen 3.328 N/A LYS 182.A N ALA 178.A O no hydrogen 3.124 N/A ALA 183.A N TYR 179.A O no hydrogen 3.303 N/A ILE 184.A N VAL 180.A O no hydrogen 2.639 N/A SER 187.A N ASP 185.A OD2 no hydrogen 3.028 N/A SER 187.A OG ASP 185.A OD1 no hydrogen 3.082 N/A SER 187.A OG ASP 185.A OD2 no hydrogen 2.615 N/A SER 189.A N ASP 192.A OD1 no hydrogen 3.114 N/A GLU 191.A N SER 189.A OG no hydrogen 3.386 N/A ASP 192.A N SER 189.A O no hydrogen 2.996 N/A ILE 193.A N TRP 190.A O no hydrogen 3.177 N/A LYS 194.A N TRP 190.A O no hydrogen 2.987 N/A LYS 194.A NZ GLU 191.A OE1 no hydrogen 3.544 N/A LYS 194.A NZ GLU 191.A OE2 no hydrogen 3.477 N/A TRP 195.A N GLU 191.A O no hydrogen 3.183 N/A LEU 196.A N ASP 192.A O no hydrogen 3.278 N/A ARG 197.A N ILE 193.A O no hydrogen 2.937 N/A ARG 197.A NE ARG 197.A O no hydrogen 2.685 N/A ARG 197.A NH1 THR 200.A O no hydrogen 2.980 N/A ARG 197.A NH1 LEU 202.A O no hydrogen 2.863 N/A ARG 197.A NH2 GLY 222.A O no hydrogen 2.787 N/A ARG 197.A NH2 ASN 224.A OD1 no hydrogen 3.190 N/A ARG 198.A N LYS 194.A O no hydrogen 3.202 N/A LEU 199.A N LEU 196.A O no hydrogen 3.267 N/A THR 200.A OG1 GLU 144.A OE2 no hydrogen 2.946 N/A LEU 202.A N THR 200.A OG1 no hydrogen 3.204 N/A ILE 204.A N ASN 224.A OD1 no hydrogen 2.975 N/A VAL 205.A N ILE 151.A O no hydrogen 2.850 N/A ALA 206.A N GLY 225.A O no hydrogen 3.073 N/A LYS 207.A N VAL 153.A O no hydrogen 2.836 N/A GLY 208.A N LEU 227.A O no hydrogen 2.936 N/A ARG 211.A NE ASP 213.A OD1 no hydrogen 2.896 N/A ARG 211.A NE ASP 213.A OD2 no hydrogen 3.390 N/A ARG 211.A NH1 ASP 213.A OD2 no hydrogen 3.069 N/A GLY 212.A N GLU 248.A OE2 no hydrogen 2.834 N/A ASP 214.A N ASP 213.A OD1 no hydrogen 2.775 N/A ALA 215.A N ARG 211.A O no hydrogen 3.139 N/A ARG 216.A N GLY 212.A O no hydrogen 3.078 N/A ARG 216.A NH2 GLU 254.A OE2 no hydrogen 2.763 N/A GLU 217.A N ASP 213.A O no hydrogen 2.939 N/A ALA 218.A N ASP 214.A O no hydrogen 2.899 N/A VAL 219.A N ALA 215.A O no hydrogen 3.002 N/A LYS 220.A N ARG 216.A O no hydrogen 2.890 N/A HIS 221.A N GLU 217.A O no hydrogen 3.055 N/A HIS 221.A N ALA 218.A O no hydrogen 3.261 N/A GLY 222.A N VAL 219.A O no hydrogen 2.994 N/A LEU 223.A N ALA 218.A O no hydrogen 3.269 N/A ASN 224.A N ILE 204.A O no hydrogen 2.693 N/A ILE 226.A N GLU 258.A O no hydrogen 3.071 N/A LEU 227.A N ALA 206.A O no hydrogen 2.932 N/A VAL 228.A N PHE 260.A O no hydrogen 2.738 N/A SER 229.A OG ASP 262.A OD1 no hydrogen 2.661 N/A SER 229.A OG ASP 262.A OD2 no hydrogen 3.117 N/A ASN 230.A ND2 ASN 36.A OD1 no hydrogen 2.872 N/A ASN 230.A ND2 PRO 240.A O no hydrogen 3.183 N/A HIS 231.A N SER 229.A OG no hydrogen 3.103 N/A HIS 231.A ND1 ASP 156.A OD2 no hydrogen 2.785 N/A ALA 233.A N ASN 230.A O no hydrogen 3.003 N/A ALA 233.A N ASN 230.A OD1 no hydrogen 2.986 N/A ARG 234.A N HIS 231.A O no hydrogen 3.232 N/A ARG 234.A NH1 TYR 22.A O no hydrogen 2.877 N/A ARG 234.A NH2 TYR 22.A O no hydrogen 3.109 N/A GLN 235.A NE2 ASP 156.A O no hydrogen 3.313 N/A GLN 235.A NE2 TYR 159.A O no hydrogen 2.908 N/A GLY 238.A N THR 32.A OG1 no hydrogen 2.842 N/A THR 242.A OG1 ASP 262.A O no hydrogen 2.647 N/A ASP 244.A N ALA 241.A O no hydrogen 2.911 N/A VAL 245.A N ALA 241.A O no hydrogen 3.354 N/A LEU 246.A N THR 242.A O no hydrogen 3.139 N/A ILE 249.A N VAL 245.A O no hydrogen 3.174 N/A VAL 250.A N LEU 246.A O no hydrogen 2.747 N/A GLU 251.A N PRO 247.A O no hydrogen 2.884 N/A ALA 252.A N GLU 248.A O no hydrogen 3.016 N/A VAL 253.A N ILE 249.A O no hydrogen 3.156 N/A GLU 254.A N GLU 251.A O no hydrogen 3.305 N/A LYS 256.A N VAL 253.A O no hydrogen 2.946 N/A PHE 260.A N ILE 226.A O no hydrogen 2.747 N/A LEU 261.A N ALA 281.A O no hydrogen 3.356 N/A ASP 262.A N VAL 228.A O no hydrogen 3.197 N/A ARG 266.A N ASP 270.A OD2 no hydrogen 2.846 N/A ARG 266.A NH1 VAL 265.A O no hydrogen 3.051 N/A LYS 267.A N ASP 270.A OD2 no hydrogen 2.911 N/A GLY 268.A N GLU 310.A OE2 no hydrogen 2.928 N/A ASP 270.A N LYS 267.A O no hydrogen 2.939 N/A VAL 271.A N LYS 267.A O no hydrogen 3.437 N/A LEU 272.A N GLY 268.A O no hydrogen 3.222 N/A LYS 273.A N THR 269.A O no hydrogen 3.062 N/A LYS 273.A NZ PHE 40.A O no hydrogen 2.988 N/A LYS 273.A NZ TRP 43.A O no hydrogen 3.008 N/A ALA 274.A N ASP 270.A O no hydrogen 3.057 N/A LEU 275.A N VAL 271.A O no hydrogen 3.043 N/A ALA 276.A N LEU 272.A O no hydrogen 2.857 N/A LEU 277.A N LYS 273.A O no hydrogen 2.950 N/A GLY 278.A N LEU 275.A O no hydrogen 3.078 N/A ALA 279.A N ALA 274.A O no hydrogen 3.028 N/A LYS 280.A N VAL 259.A O no hydrogen 2.812 N/A VAL 282.A N PRO 70.A O no hydrogen 2.794 N/A PHE 283.A N LEU 261.A O no hydrogen 2.873 N/A VAL 284.A N CYS 72.A O no hydrogen 3.033 N/A ARG 286.A NE TYR 23.A O no hydrogen 2.781 N/A ARG 286.A NE ARG 24.A O no hydrogen 3.108 N/A ARG 286.A NH2 SER 25.A O no hydrogen 2.934 N/A ARG 286.A NH2 GLY 232.A O no hydrogen 2.770 N/A ILE 288.A N GLY 285.A O no hydrogen 3.018 N/A TRP 290.A N ARG 286.A O no hydrogen 2.951 N/A GLY 291.A N PRO 287.A O no hydrogen 3.015 N/A LEU 292.A N ILE 288.A O no hydrogen 2.828 N/A ALA 293.A N VAL 289.A O no hydrogen 2.951 N/A PHE 294.A N TRP 290.A O no hydrogen 3.251 N/A PHE 294.A N GLY 291.A O no hydrogen 3.097 N/A GLN 295.A N GLY 291.A O no hydrogen 3.160 N/A GLY 296.A N LEU 292.A O no hydrogen 2.897 N/A LYS 298.A NZ ASP 302.A OD2 no hydrogen 2.873 N/A GLY 299.A N GLN 295.A O no hydrogen 3.178 N/A VAL 300.A N GLY 296.A O no hydrogen 3.028 N/A GLN 301.A N GLU 297.A O no hydrogen 3.054 N/A GLN 301.A NE2 GLU 305.A OE2 no hydrogen 3.445 N/A ASP 302.A N LYS 298.A O no hydrogen 2.859 N/A VAL 303.A N GLY 299.A O no hydrogen 3.047 N/A LEU 304.A N VAL 300.A O no hydrogen 3.004 N/A GLU 305.A N GLN 301.A O no hydrogen 3.032 N/A ILE 306.A N ASP 302.A O no hydrogen 2.834 N/A LEU 307.A N VAL 303.A O no hydrogen 3.142 N/A LYS 308.A N LEU 304.A O no hydrogen 2.940 N/A GLU 309.A N GLU 305.A O no hydrogen 2.868 N/A GLU 310.A N ILE 306.A O no hydrogen 2.966 N/A PHE 311.A N LEU 307.A O no hydrogen 2.930 N/A ARG 312.A N LYS 308.A O no hydrogen 2.935 N/A ARG 312.A NH1 GLU 309.A OE1 no hydrogen 3.365 N/A LEU 313.A N GLU 309.A O no hydrogen 2.897 N/A ALA 314.A N GLU 310.A O no hydrogen 3.024 N/A MET 315.A N PHE 311.A O no hydrogen 2.849 N/A ALA 316.A N ARG 312.A O no hydrogen 2.918 N/A LEU 317.A N LEU 313.A O no hydrogen 2.885 N/A SER 318.A N ALA 314.A O no hydrogen 3.143 N/A SER 318.A N MET 315.A O no hydrogen 3.175 N/A SER 318.A OG ALA 314.A O no hydrogen 2.719 N/A GLY 319.A N ALA 316.A O no hydrogen 3.002 N/A CYS 320.A N MET 315.A O no hydrogen 2.921 N/A GLN 321.A NE2 GLU 55.A O no hydrogen 2.650 N/A ASN 322.A ND2 GLN 321.A OE1 no hydrogen 2.923 N/A LYS 324.A N ASN 322.A OD1 no hydrogen 2.960 N/A VAL 325.A N ASN 322.A O no hydrogen 3.303 N/A THR 329.A OG1 ASP 327.A OD1 no hydrogen 2.906 N/A THR 329.A OG1 ASP 327.A OD2 no hydrogen 3.079 N/A LEU 330.A N ASP 327.A O no hydrogen 3.067 N/A VAL 331.A N LYS 328.A O no hydrogen 3.375 N/A ARG 332.A N LYS 44.A O no hydrogen 3.156 N/A LYS 333.A NZ ASP 244.A OD1 no hydrogen 3.529 N/A ASN 334.A N ARG 42.A O no hydrogen 3.001 N/A