Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pu5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N LEU 1.A O no hydrogen 3.123 N/A HIS 5.A N ASP 3.A O no hydrogen 3.085 N/A ILE 6.A N LYS 33.A O no hydrogen 2.824 N/A TYR 7.A N ASP 58.A OD1 no hydrogen 2.748 N/A VAL 8.A N THR 35.A O no hydrogen 2.922 N/A THR 9.A N VAL 59.A O no hydrogen 3.165 N/A THR 9.A OG1 ALA 61.A O no hydrogen 2.800 N/A SER 10.A N VAL 37.A O no hydrogen 3.007 N/A LEU 16.A N GLY 12.A O no hydrogen 3.333 N/A GLU 17.A N GLY 13.A O no hydrogen 3.051 N/A ASN 18.A N SER 14.A O no hydrogen 2.947 N/A ASN 18.A ND2 SER 14.A O no hydrogen 2.738 N/A VAL 19.A N PHE 15.A O no hydrogen 2.896 N/A ARG 20.A N LEU 16.A O no hydrogen 2.963 N/A LYS 21.A N GLU 17.A O no hydrogen 2.934 N/A HIS 22.A N ASN 18.A O no hydrogen 2.854 N/A GLU 24.A N ARG 20.A O no hydrogen 2.788 N/A GLU 27.A N ALA 23.A O no hydrogen 2.999 N/A LYS 28.A N GLU 24.A O no hydrogen 3.060 N/A GLN 29.A N PRO 25.A O no hydrogen 3.049 N/A SER 30.A N PHE 26.A O no hydrogen 2.829 N/A SER 30.A OG PHE 26.A O no hydrogen 2.797 N/A GLY 31.A N GLU 27.A O no hydrogen 2.734 N/A VAL 32.A N SER 30.A OG no hydrogen 2.875 N/A LYS 33.A N ASP 4.A O no hydrogen 3.105 N/A VAL 34.A N GLU 27.A OE2 no hydrogen 2.654 N/A THR 35.A N ILE 6.A O no hydrogen 2.954 N/A VAL 37.A N VAL 8.A O no hydrogen 2.933 N/A GLY 39.A N SER 11.A O no hydrogen 3.205 N/A ALA 43.A N THR 40.A OG1 no hydrogen 3.243 N/A HIS 44.A N THR 40.A O no hydrogen 2.998 N/A ALA 45.A N ASN 41.A O no hydrogen 3.044 N/A LEU 46.A N PRO 42.A O no hydrogen 2.994 N/A LYS 47.A N ALA 43.A O no hydrogen 2.950 N/A LYS 47.A NZ TYR 57.A OH no hydrogen 3.261 N/A ILE 48.A N HIS 44.A O no hydrogen 2.991 N/A LEU 49.A N ALA 45.A O no hydrogen 2.740 N/A SER 50.A N LEU 46.A O no hydrogen 2.718 N/A SER 50.A OG LEU 46.A O no hydrogen 2.608 N/A SER 51.A N ILE 48.A O no hydrogen 3.297 N/A ASP 58.A N TYR 7.A O no hydrogen 2.854 N/A VAL 59.A N TYR 7.A O no hydrogen 3.108 N/A ALA 60.A N ALA 237.A O no hydrogen 2.761 N/A ALA 61.A N THR 9.A OG1 no hydrogen 2.722 N/A PHE 62.A N VAL 236.A O no hydrogen 3.089 N/A ARG 68.A N ASP 66.A O no hydrogen 2.896 N/A ARG 68.A NH1 PRO 42.A O no hydrogen 3.555 N/A ARG 68.A NH1 ASP 66.A OD1 no hydrogen 2.899 N/A ARG 71.A N TYR 67.A O no hydrogen 3.032 N/A ALA 72.A N ARG 68.A O no hydrogen 3.025 N/A LYS 73.A N ILE 70.A O no hydrogen 3.225 N/A LYS 74.A N LEU 69.A O no hydrogen 2.982 N/A ALA 76.A N VAL 238.A O no hydrogen 2.667 N/A VAL 78.A N GLY 99.A O no hydrogen 2.900 N/A ASP 79.A N SER 82.A OG no hydrogen 3.187 N/A LYS 81.A N ASP 79.A OD1 no hydrogen 2.840 N/A SER 82.A N ASP 79.A OD1 no hydrogen 3.221 N/A SER 82.A OG ASP 79.A O no hydrogen 3.327 N/A SER 82.A OG ASP 79.A OD1 no hydrogen 3.511 N/A VAL 83.A N ASP 79.A O no hydrogen 2.671 N/A SER 85.A N ASN 251.A OD1 no hydrogen 2.830 N/A SER 85.A OG ASN 251.A O no hydrogen 2.706 N/A SER 85.A OG ASN 251.A OD1 no hydrogen 3.090 N/A LEU 86.A N VAL 83.A O no hydrogen 2.894 N/A ALA 87.A N PRO 84.A O no hydrogen 3.006 N/A ASP 88.A N SER 85.A O no hydrogen 2.822 N/A VAL 89.A N LEU 86.A O no hydrogen 3.225 N/A LYS 92.A NZ ILE 287.A O no hydrogen 2.902 N/A LYS 92.A NZ ASP 288.A O no hydrogen 3.335 N/A LYS 92.A NZ VAL 290.A O no hydrogen 2.733 N/A PHE 93.A N PRO 90.A O no hydrogen 3.134 N/A LYS 94.A N GLU 91.A O no hydrogen 2.864 N/A LYS 94.A NZ LEU 86.A O no hydrogen 2.818 N/A LYS 94.A NZ VAL 89.A O no hydrogen 3.180 N/A TRP 97.A N LYS 94.A O no hydrogen 3.057 N/A CYS 100.A N TRP 97.A O no hydrogen 2.849 N/A CYS 100.A SG LEU 75.A O no hydrogen 3.733 N/A CYS 100.A SG GLU 98.A O no hydrogen 3.517 N/A SER 102.A OG LEU 103.A O no hydrogen 2.847 N/A LEU 103.A N PHE 93.A O no hydrogen 2.965 N/A TYR 104.A N PRO 235.A O no hydrogen 3.037 N/A TYR 106.A N GLY 268.A O no hydrogen 2.907 N/A TYR 106.A OH PRO 285.A O no hydrogen 3.099 N/A SER 107.A N SER 233.A O no hydrogen 2.853 N/A SER 108.A N ASP 208.A OD1 no hydrogen 2.973 N/A SER 108.A OG SER 232.A OG no hydrogen 2.682 N/A VAL 109.A N VAL 231.A O no hydrogen 2.814 N/A GLY 110.A N GLY 206.A O no hydrogen 2.854 N/A ILE 111.A N VAL 224.A O no hydrogen 3.246 N/A ALA 112.A N GLY 204.A O no hydrogen 2.829 N/A TYR 113.A N LYS 222.A O no hydrogen 2.970 N/A ARG 114.A N ALA 202.A O no hydrogen 3.032 N/A ARG 114.A NE ASP 116.A OD2 no hydrogen 3.019 N/A ARG 114.A NH1 ASP 116.A OD1 no hydrogen 2.844 N/A ARG 114.A NH2 LEU 196.A O no hydrogen 2.822 N/A LYS 117.A N ARG 114.A O no hydrogen 2.892 N/A ILE 118.A N ARG 114.A O no hydrogen 2.983 N/A GLY 121.A N ILE 118.A O no hydrogen 2.952 N/A LYS 123.A N GLU 127.A OE1 no hydrogen 2.820 N/A TRP 125.A N GLU 228.A OE1 no hydrogen 2.881 N/A TRP 125.A NE1 GLY 229.A O no hydrogen 2.979 N/A LYS 126.A N GLU 228.A OE2 no hydrogen 2.997 N/A GLU 127.A N SER 124.A OG no hydrogen 2.845 N/A PHE 128.A N SER 124.A O no hydrogen 2.957 N/A VAL 129.A N TRP 125.A O no hydrogen 2.855 N/A GLU 130.A N LYS 126.A O no hydrogen 2.881 N/A ARG 131.A N GLU 127.A O no hydrogen 2.863 N/A ARG 131.A NE GLU 136.A OE1 no hydrogen 2.793 N/A ARG 131.A NH1 GLY 121.A O no hydrogen 3.073 N/A ARG 131.A NH1 GLU 127.A OE2 no hydrogen 2.971 N/A THR 132.A N PHE 128.A O no hydrogen 3.051 N/A THR 132.A OG1 PHE 128.A O no hydrogen 2.680 N/A VAL 133.A N VAL 129.A O no hydrogen 2.950 N/A ALA 134.A N GLU 130.A O no hydrogen 2.996 N/A GLY 135.A N THR 132.A O no hydrogen 2.937 N/A GLU 136.A N ARG 131.A O no hydrogen 3.079 N/A GLY 138.A N GLY 135.A O no hydrogen 3.100 N/A LYS 139.A NZ PRO 180.A O no hydrogen 3.125 N/A LYS 139.A NZ ILE 182.A O no hydrogen 3.250 N/A VAL 141.A N HIS 181.A O no hydrogen 3.332 N/A PHE 142.A N ILE 203.A O no hydrogen 3.142 N/A PHE 143.A N LYS 184.A O no hydrogen 3.061 N/A ASN 145.A N PHE 186.A O no hydrogen 2.904 N/A SER 148.A N ASN 145.A O no hydrogen 3.150 N/A SER 148.A OG ASN 145.A OD1 no hydrogen 2.892 N/A ARG 151.A NH1 GLU 154.A OE2 no hydrogen 2.953 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.675 N/A VAL 155.A N ARG 151.A O no hydrogen 3.226 N/A LEU 156.A N GLY 152.A O no hydrogen 3.064 N/A SER 157.A N ALA 153.A O no hydrogen 2.964 N/A SER 157.A OG ALA 153.A O no hydrogen 3.162 N/A SER 157.A OG TYR 166.A O no hydrogen 3.444 N/A GLY 159.A N LEU 156.A O no hydrogen 2.879 N/A LYS 160.A N SER 157.A O no hydrogen 3.036 N/A LYS 160.A NZ TYR 166.A OH no hydrogen 3.426 N/A TYR 162.A N PHE 158.A O no hydrogen 2.921 N/A TYR 162.A OH GLU 130.A OE2 no hydrogen 2.601 N/A SER 164.A N ASP 168.A OD2 no hydrogen 2.987 N/A SER 164.A OG ASP 168.A OD2 no hydrogen 3.354 N/A GLY 165.A N GLY 159.A O no hydrogen 3.277 N/A ASP 168.A N GLY 165.A O no hydrogen 3.030 N/A ALA 171.A N ASP 168.A OD1 no hydrogen 3.214 N/A SER 172.A N ASP 168.A O no hydrogen 3.047 N/A SER 172.A OG LEU 156.A O no hydrogen 2.642 N/A SER 172.A OG ASP 168.A O no hydrogen 2.988 N/A ILE 173.A N ILE 169.A O no hydrogen 2.838 N/A ALA 174.A N GLU 170.A O no hydrogen 2.725 N/A THR 175.A N ALA 171.A O no hydrogen 2.910 N/A THR 175.A OG1 ALA 171.A O no hydrogen 2.928 N/A LEU 176.A N SER 172.A O no hydrogen 3.254 N/A GLU 177.A N ILE 173.A O no hydrogen 2.791 N/A ARG 178.A N ALA 174.A O no hydrogen 3.216 N/A ARG 178.A NH1 GLU 130.A OE2 no hydrogen 3.200 N/A ARG 178.A NH2 GLU 130.A OE1 no hydrogen 2.741 N/A ARG 178.A NH2 GLU 130.A OE2 no hydrogen 3.389 N/A LYS 179.A NZ ARG 311.A O no hydrogen 2.976 N/A ILE 182.A N LYS 179.A O no hydrogen 3.216 N/A PHE 183.A N VAL 141.A O no hydrogen 2.959 N/A PHE 186.A N PHE 143.A O no hydrogen 2.936 N/A THR 187.A N ASP 191.A OD2 no hydrogen 2.971 N/A ALA 188.A N ASP 191.A OD2 no hydrogen 2.845 N/A ASP 191.A N ALA 188.A O no hydrogen 3.021 N/A VAL 194.A N ASN 190.A O no hydrogen 3.280 N/A LEU 195.A N ASP 191.A O no hydrogen 2.805 N/A LEU 196.A N PRO 192.A O no hydrogen 2.930 N/A THR 197.A N VAL 193.A O no hydrogen 2.754 N/A THR 197.A OG1 VAL 193.A O no hydrogen 2.858 N/A THR 197.A OG1 VAL 194.A O no hydrogen 3.418 N/A SER 198.A N VAL 194.A O no hydrogen 2.854 N/A SER 198.A OG VAL 194.A O no hydrogen 3.009 N/A SER 198.A OG LEU 195.A O no hydrogen 3.038 N/A GLY 199.A N LEU 196.A O no hydrogen 3.176 N/A GLU 200.A N SER 198.A OG no hydrogen 3.125 N/A GLY 201.A N LEU 195.A O no hydrogen 2.894 N/A ALA 202.A N GLN 140.A O no hydrogen 2.787 N/A GLY 204.A N ALA 112.A O no hydrogen 3.064 N/A GLY 206.A N GLY 110.A O no hydrogen 3.120 N/A ASP 208.A N SER 108.A O no hydrogen 2.917 N/A THR 211.A N TRP 207.A O no hydrogen 2.988 N/A THR 211.A OG1 TRP 207.A O no hydrogen 2.588 N/A PHE 212.A N ASP 208.A O no hydrogen 2.841 N/A ILE 213.A N GLY 209.A O no hydrogen 3.005 N/A ALA 214.A N ARG 210.A O no hydrogen 3.212 N/A GLU 215.A N THR 211.A O no hydrogen 2.716 N/A ASP 216.A N PHE 212.A O no hydrogen 2.882 N/A SER 217.A N ILE 213.A O no hydrogen 3.032 N/A SER 217.A OG ILE 213.A O no hydrogen 3.492 N/A SER 217.A OG ALA 214.A O no hydrogen 3.236 N/A LYS 219.A N ASP 216.A O no hydrogen 3.462 N/A GLY 220.A N GLU 215.A O no hydrogen 2.861 N/A LYS 222.A N TYR 113.A O no hydrogen 2.991 N/A LYS 222.A NZ GLY 220.A O no hydrogen 3.533 N/A TRP 223.A NE1 GLY 206.A O no hydrogen 2.934 N/A VAL 224.A N ILE 111.A O no hydrogen 2.695 N/A THR 227.A N LYS 123.A O no hydrogen 2.900 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.848 N/A GLY 229.A N PRO 226.A O no hydrogen 2.792 N/A VAL 231.A N VAL 109.A O no hydrogen 3.067 N/A SER 232.A N GLN 291.A O no hydrogen 2.831 N/A SER 232.A OG SER 108.A OG no hydrogen 2.682 N/A SER 233.A N SER 107.A O no hydrogen 2.998 N/A VAL 236.A N PHE 62.A O no hydrogen 2.913 N/A VAL 239.A N ASP 58.A O no hydrogen 3.046 N/A LYS 240.A N LYS 74.A O no hydrogen 2.953 N/A LYS 240.A NZ LYS 73.A O no hydrogen 2.975 N/A GLY 241.A N GLU 244.A OE2 no hydrogen 2.735 N/A GLY 242.A N VAL 239.A O no hydrogen 3.085 N/A LYS 243.A N ASP 58.A OD2 no hydrogen 2.903 N/A ALA 247.A N LYS 243.A O no hydrogen 2.916 N/A LYS 248.A N GLU 244.A O no hydrogen 2.866 N/A ALA 249.A N ASP 245.A O no hydrogen 3.046 N/A PHE 250.A N LEU 246.A O no hydrogen 2.815 N/A TYR 252.A N ALA 249.A O no hydrogen 3.082 N/A TYR 252.A OH GLU 257.A OE2 no hydrogen 2.527 N/A ALA 253.A N PHE 250.A O no hydrogen 2.808 N/A GLY 255.A N TYR 252.A O no hydrogen 2.927 N/A GLN 259.A N GLY 255.A O no hydrogen 2.951 N/A GLN 259.A NE2 TYR 104.A O no hydrogen 2.937 N/A GLN 259.A NE2 ALA 253.A O no hydrogen 2.959 N/A LYS 260.A N GLU 256.A O no hydrogen 3.039 N/A LYS 260.A NZ GLU 264.A OE2 no hydrogen 3.280 N/A ALA 261.A N GLU 257.A O no hydrogen 3.077 N/A PHE 262.A N ALA 258.A O no hydrogen 2.857 N/A CYS 263.A N GLN 259.A O no hydrogen 2.907 N/A CYS 263.A SG GLN 259.A O no hydrogen 3.265 N/A GLU 264.A N LYS 260.A O no hydrogen 2.936 N/A ALA 265.A N ALA 261.A O no hydrogen 3.294 N/A TYR 267.A N CYS 263.A O no hydrogen 2.913 N/A GLY 268.A N TYR 106.A O no hydrogen 2.866 N/A ALA 269.A N TYR 276.A OH no hydrogen 2.745 N/A VAL 270.A N GLN 259.A OE1 no hydrogen 2.849 N/A ASN 271.A ND2 LEU 254.A O no hydrogen 2.756 N/A ARG 272.A N ASP 88.A O no hydrogen 2.826 N/A ARG 272.A NH1 ALA 87.A O no hydrogen 3.132 N/A LYS 273.A N ASN 271.A OD1 no hydrogen 2.927 N/A VAL 274.A N ASN 271.A O no hydrogen 3.249 N/A SER 277.A N GLU 264.A OE2 no hydrogen 2.653 N/A SER 277.A OG GLU 264.A OE1 no hydrogen 2.882 N/A LYS 279.A N SER 277.A OG no hydrogen 3.102 N/A LYS 279.A NZ TYR 266.A OH no hydrogen 3.313 N/A LEU 280.A N SER 277.A O no hydrogen 3.198 N/A LYS 281.A N SER 277.A O no hydrogen 2.857 N/A HIS 282.A NE2 GLU 278.A OE1 no hydrogen 3.156 N/A ARG 283.A N LEU 280.A O no hydrogen 2.991 N/A ARG 283.A NE LYS 279.A O no hydrogen 2.789 N/A ARG 283.A NH1 GLU 215.A OE1 no hydrogen 2.888 N/A ARG 283.A NH1 ASP 216.A OD1 no hydrogen 2.910 N/A ARG 283.A NH2 ASP 216.A OD1 no hydrogen 3.123 N/A ARG 283.A NH2 ASP 216.A OD2 no hydrogen 2.776 N/A ARG 283.A NH2 LYS 279.A O no hydrogen 2.992 N/A LEU 284.A N LEU 280.A O no hydrogen 2.935 N/A ASP 288.A N SER 286.A OG no hydrogen 3.314 N/A SER 289.A N SER 286.A O no hydrogen 2.988 N/A SER 289.A OG SER 286.A O no hydrogen 2.963 N/A VAL 290.A N SER 286.A O no hydrogen 3.323 N/A GLN 291.A N ALA 230.A O no hydrogen 2.730 N/A GLN 291.A NE2 SER 289.A O no hydrogen 3.172 N/A THR 295.A N ASP 96.A OD2 no hydrogen 2.929 N/A THR 295.A OG1 ASP 96.A OD2 no hydrogen 2.578 N/A ALA 296.A N ASP 294.A OD1 no hydrogen 2.885 N/A LEU 298.A N ASP 294.A O no hydrogen 3.020 N/A ILE 299.A N THR 295.A O no hydrogen 3.056 N/A LYS 300.A N ALA 296.A O no hydrogen 2.958 N/A ASN 301.A N LEU 297.A O no hydrogen 2.982 N/A LEU 304.A N ASN 301.A O no hydrogen 2.874 N/A ASP 306.A N SER 302.A O no hydrogen 3.007 N/A LEU 307.A N ALA 303.A O no hydrogen 2.958 N/A TRP 308.A N LEU 304.A O no hydrogen 2.863 N/A ASN 309.A N LEU 305.A O no hydrogen 2.793 N/A LYS 310.A N LEU 307.A O no hydrogen 3.094 N/A ARG 311.A N LEU 307.A O no hydrogen 2.861 N/A ARG 311.A NE GLU 177.A OE1 no hydrogen 3.207 N/A ARG 311.A NH2 GLU 177.A OE1 no hydrogen 2.898 N/A ILE 312.A N TRP 308.A O no hydrogen 2.643 N/A ALA 313.A N TRP 308.A O no hydrogen 3.263 N/A