Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cet_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N LEU 14.A O no hydrogen 3.206 N/A LEU 2.A N HIS 28.A O no hydrogen 3.054 N/A GLY 3.A N THR 12.A O no hydrogen 2.808 N/A ILE 4.A N ALA 30.A O no hydrogen 2.760 N/A ASP 5.A N LYS 10.A O no hydrogen 3.013 N/A ILE 6.A N VAL 32.A O no hydrogen 2.965 N/A GLY 7.A N ASN 8.A O no hydrogen 2.780 N/A THR 9.A N LEU 25.A O no hydrogen 3.353 N/A LYS 10.A N ASP 5.A O no hydrogen 2.974 N/A LYS 10.A NZ LEU 278.A O no hydrogen 3.475 N/A ILE 11.A N HIS 23.A O no hydrogen 3.053 N/A THR 12.A N GLY 3.A O no hydrogen 2.958 N/A THR 12.A OG1 SER 282.A OG no hydrogen 2.896 N/A GLU 13.A N LYS 21.A O no hydrogen 2.919 N/A LEU 14.A N ILE 1.A O no hydrogen 2.792 N/A GLU 19.A N GLU 16.A O no hydrogen 3.289 N/A HIS 23.A N ILE 11.A O no hydrogen 2.962 N/A LEU 25.A N THR 9.A O no hydrogen 2.774 N/A VAL 29.A N ASN 56.A O no hydrogen 3.032 N/A ALA 30.A N LEU 2.A O no hydrogen 2.860 N/A LEU 31.A N SER 58.A O no hydrogen 2.820 N/A VAL 32.A N ILE 4.A O no hydrogen 2.784 N/A THR 33.A OG1 ILE 6.A O no hydrogen 3.292 N/A THR 34.A OG1 ASP 5.A OD1 no hydrogen 3.071 N/A ALA 35.A N ILE 6.A O no hydrogen 3.292 N/A LYS 38.A NZ ALA 35.A O no hydrogen 3.283 N/A GLU 40.A N THR 37.A O no hydrogen 3.325 N/A ASN 44.A N GLU 40.A O no hydrogen 3.062 N/A ILE 45.A N GLY 41.A O no hydrogen 2.902 N/A LEU 46.A N VAL 42.A O no hydrogen 3.014 N/A ASN 47.A N ASP 43.A O no hydrogen 2.732 N/A ALA 48.A N ASN 44.A O no hydrogen 2.795 N/A ALA 49.A N ILE 45.A O no hydrogen 2.900 N/A GLU 50.A N LEU 46.A O no hydrogen 3.210 N/A SER 51.A N ASN 47.A O no hydrogen 3.382 N/A SER 51.A N ALA 48.A O no hydrogen 3.240 N/A SER 51.A OG ASN 47.A O no hydrogen 3.301 N/A SER 51.A OG ALA 48.A O no hydrogen 3.193 N/A GLY 54.A N GLU 50.A O no hydrogen 2.956 N/A ILE 57.A N SER 55.A O no hydrogen 2.735 N/A SER 58.A N VAL 29.A O no hydrogen 2.836 N/A VAL 59.A N ILE 67.A O no hydrogen 2.727 N/A PHE 60.A N LEU 31.A O no hydrogen 3.023 N/A ASP 61.A N ASN 65.A O no hydrogen 3.185 N/A SER 62.A N LYS 77.A O no hydrogen 3.050 N/A SER 62.A OG LYS 77.A O no hydrogen 3.438 N/A SER 62.A OG SER 79.A O no hydrogen 2.884 N/A ASN 63.A N ASP 61.A OD1 no hydrogen 2.729 N/A ILE 67.A N VAL 59.A O no hydrogen 2.780 N/A SER 68.A OG LEU 69.A O no hydrogen 3.258 N/A SER 68.A OG SER 71.A OG no hydrogen 3.100 N/A SER 71.A OG SER 68.A OG no hydrogen 3.100 N/A SER 71.A OG LEU 69.A O no hydrogen 3.527 N/A LYS 73.A NZ ASN 47.A OD1 no hydrogen 2.934 N/A LYS 73.A NZ GLU 50.A OE1 no hydrogen 3.050 N/A THR 74.A N GLU 70.A O no hydrogen 2.873 N/A THR 74.A OG1 GLU 70.A O no hydrogen 3.191 N/A THR 74.A OG1 SER 71.A O no hydrogen 2.701 N/A THR 74.A OG1 ASN 75.A OD1 no hydrogen 2.690 N/A ASN 75.A N SER 71.A O no hydrogen 3.486 N/A VAL 78.A N ASN 76.A O no hydrogen 3.325 N/A ALA 80.A N THR 33.A O no hydrogen 3.173 N/A CYS 84.A N SER 81.A OG no hydrogen 3.209 N/A CYS 84.A SG SER 62.A O no hydrogen 3.547 N/A ALA 87.A N TRP 83.A O no hydrogen 2.674 N/A LYS 88.A N CYS 84.A O no hydrogen 3.004 N/A LYS 88.A NZ GLY 64.A O no hydrogen 2.781 N/A TRP 89.A N GLY 85.A O no hydrogen 3.060 N/A VAL 90.A N THR 86.A O no hydrogen 2.894 N/A SER 91.A N ALA 87.A O no hydrogen 2.981 N/A SER 91.A OG LYS 88.A O no hydrogen 2.705 N/A SER 91.A OG GLY 115.A O no hydrogen 3.243 N/A LYS 92.A N TRP 89.A O no hydrogen 3.252 N/A LYS 92.A NZ GLY 115.A O no hydrogen 2.910 N/A ASN 93.A N VAL 90.A O no hydrogen 3.334 N/A ASN 93.A ND2 TRP 89.A O no hydrogen 2.971 N/A ILE 94.A N VAL 90.A O no hydrogen 2.902 N/A GLU 95.A N VAL 90.A O no hydrogen 3.028 N/A ASN 97.A N GLU 95.A OE2 no hydrogen 3.198 N/A CYS 98.A N ILE 112.A O no hydrogen 3.071 N/A CYS 98.A SG GLU 95.A O no hydrogen 3.936 N/A ILE 99.A N LYS 245.A O no hydrogen 2.892 N/A LEU 100.A N ILE 110.A O no hydrogen 2.927 N/A VAL 101.A N VAL 247.A O no hydrogen 2.804 N/A ASP 102.A N ASP 108.A O no hydrogen 3.049 N/A SER 104.A OG THR 105.A OG1 no hydrogen 3.179 N/A THR 105.A OG1 SER 104.A OG no hydrogen 3.179 N/A THR 107.A N LEU 132.A O no hydrogen 2.867 N/A THR 107.A OG1 VAL 134.A O no hydrogen 2.824 N/A ASP 108.A N ASP 102.A O no hydrogen 2.764 N/A ILE 109.A N GLU 130.A O no hydrogen 2.935 N/A ILE 110.A N LEU 100.A O no hydrogen 2.906 N/A ILE 112.A N CYS 98.A O no hydrogen 2.801 N/A VAL 113.A N LYS 116.A O no hydrogen 2.863 N/A GLY 115.A N GLU 96.A O no hydrogen 2.834 N/A LYS 116.A N VAL 113.A O no hydrogen 2.974 N/A VAL 118.A N PRO 111.A O no hydrogen 3.024 N/A GLU 120.A N GLU 130.A OE1 no hydrogen 2.818 N/A THR 122.A N GLU 125.A OE1 no hydrogen 3.159 N/A THR 122.A OG1 GLU 125.A OE1 no hydrogen 2.729 N/A GLU 125.A N THR 122.A OG1 no hydrogen 3.331 N/A ARG 126.A N THR 122.A O no hydrogen 3.040 N/A ARG 126.A NH2 ASP 108.A OD1 no hydrogen 2.550 N/A ARG 126.A NH2 GLU 130.A O no hydrogen 2.871 N/A LEU 127.A N ASP 123.A O no hydrogen 2.862 N/A ASN 128.A ND2 GLU 125.A O no hydrogen 2.776 N/A GLU 130.A N ARG 126.A O no hydrogen 2.897 N/A LEU 132.A N THR 107.A O no hydrogen 2.984 N/A VAL 134.A N LEU 132.A O no hydrogen 2.901 N/A GLY 135.A N THR 139.A OG1 no hydrogen 2.681 N/A THR 136.A N GLY 103.A O no hydrogen 2.770 N/A THR 136.A OG1 GLY 103.A O no hydrogen 2.925 N/A LEU 137.A N SER 104.A O no hydrogen 3.080 N/A ARG 138.A N SER 104.A O no hydrogen 2.819 N/A ARG 138.A NH1 THR 105.A OG1 no hydrogen 2.869 N/A THR 139.A N THR 165.A OG1 no hydrogen 3.220 N/A ILE 141.A N ALA 163.A O no hydrogen 2.959 N/A HIS 143.A N PRO 140.A O no hydrogen 3.017 N/A LEU 144.A N ILE 141.A O no hydrogen 2.927 N/A GLY 145.A N SER 142.A O no hydrogen 2.955 N/A THR 147.A OG1 ASP 154.A OD1 no hydrogen 3.088 N/A ILE 148.A N THR 155.A O no hydrogen 2.861 N/A PHE 150.A N VAL 153.A O no hydrogen 2.852 N/A VAL 153.A N PHE 150.A O no hydrogen 2.879 N/A THR 155.A N ILE 148.A O no hydrogen 2.808 N/A THR 155.A OG1 VAL 153.A O no hydrogen 2.927 N/A VAL 157.A N ASN 146.A O no hydrogen 3.109 N/A SER 158.A N VAL 202.A O no hydrogen 2.811 N/A GLU 160.A N SER 158.A OG no hydrogen 3.120 N/A ILE 164.A N ASP 167.A OD2 no hydrogen 2.914 N/A THR 165.A N THR 139.A O no hydrogen 2.888 N/A THR 165.A OG1 GLY 135.A O no hydrogen 2.795 N/A ALA 166.A N LEU 137.A O no hydrogen 2.880 N/A ASP 167.A N ILE 164.A O no hydrogen 2.907 N/A SER 169.A N THR 165.A O no hydrogen 2.716 N/A SER 169.A OG THR 136.A O no hydrogen 2.953 N/A SER 169.A OG THR 165.A O no hydrogen 2.999 N/A VAL 170.A N ALA 166.A O no hydrogen 2.924 N/A VAL 171.A N ASP 167.A O no hydrogen 3.066 N/A LEU 172.A N ILE 168.A O no hydrogen 2.930 N/A GLU 173.A N VAL 170.A O no hydrogen 3.136 N/A LYS 174.A N SER 169.A O no hydrogen 2.762 N/A LYS 174.A NZ ASP 258.A OD2 no hydrogen 2.845 N/A THR 176.A N GLU 179.A OE1 no hydrogen 2.818 N/A GLU 179.A N THR 176.A O no hydrogen 3.041 N/A GLU 179.A N THR 176.A OG1 no hydrogen 3.237 N/A TYR 180.A N THR 177.A O no hydrogen 3.169 N/A TYR 180.A OH ASP 167.A OD1 no hydrogen 2.783 N/A CYS 182.A SG ASP 183.A O no hydrogen 3.868 N/A THR 184.A OG1 LYS 188.A O no hydrogen 2.750 N/A GLY 187.A N THR 184.A O no hydrogen 3.257 N/A LYS 188.A N ASP 186.A OD1 no hydrogen 2.917 N/A LYS 192.A NZ GLU 216.A OE1 no hydrogen 3.167 N/A ARG 193.A NH1 GLU 212.A OE2 no hydrogen 2.834 N/A SER 194.A N ASP 191.A OD2 no hydrogen 3.055 N/A SER 194.A OG ASP 191.A OD1 no hydrogen 2.718 N/A SER 194.A OG ASP 191.A OD2 no hydrogen 3.310 N/A SER 195.A N ASP 191.A O no hydrogen 2.976 N/A SER 195.A OG ASP 167.A OD1 no hydrogen 3.434 N/A SER 195.A OG ASP 191.A O no hydrogen 3.038 N/A LEU 196.A N LYS 192.A O no hydrogen 2.850 N/A VAL 197.A N ARG 193.A O no hydrogen 2.912 N/A ARG 198.A N SER 194.A O no hydrogen 3.187 N/A ARG 198.A NE ASP 167.A OD1 no hydrogen 2.724 N/A ARG 198.A NE ASP 167.A OD2 no hydrogen 3.395 N/A ARG 198.A NH1 ASP 186.A OD1 no hydrogen 2.952 N/A ARG 198.A NH1 GLY 189.A O no hydrogen 2.902 N/A ARG 198.A NH2 ASP 167.A OD1 no hydrogen 2.909 N/A ARG 198.A NH2 GLY 189.A O no hydrogen 2.846 N/A ILE 199.A N SER 195.A O no hydrogen 2.959 N/A SER 200.A N LEU 196.A O no hydrogen 2.969 N/A SER 200.A OG LEU 196.A O no hydrogen 2.926 N/A LYS 201.A N ARG 198.A O no hydrogen 3.106 N/A LYS 201.A NZ ASP 186.A OD2 no hydrogen 3.070 N/A VAL 202.A N ILE 199.A O no hydrogen 3.079 N/A LEU 203.A N SER 200.A O no hydrogen 3.184 N/A CYS 204.A N LYS 201.A O no hydrogen 2.976 N/A SER 205.A N SER 200.A O no hydrogen 3.140 N/A SER 205.A OG ASP 206.A O no hydrogen 3.504 N/A SER 205.A OG GLN 209.A OE1 no hydrogen 2.662 N/A ASP 208.A N ASP 206.A OD1 no hydrogen 2.792 N/A GLN 209.A N ASP 206.A O no hydrogen 3.191 N/A GLN 209.A N ASP 206.A OD1 no hydrogen 3.004 N/A ILE 210.A N ASP 206.A O no hydrogen 3.061 N/A SER 211.A N ASP 214.A OD2 no hydrogen 2.992 N/A ASP 214.A N SER 211.A OG no hydrogen 3.096 N/A ALA 215.A N SER 211.A O no hydrogen 2.967 N/A GLU 216.A N GLU 212.A O no hydrogen 2.828 N/A ASN 217.A N ILE 213.A O no hydrogen 2.989 N/A ILE 218.A N ASP 214.A O no hydrogen 3.114 N/A ILE 218.A N ALA 215.A O no hydrogen 3.037 N/A ALA 219.A N ALA 215.A O no hydrogen 3.189 N/A LYS 220.A N GLU 216.A O no hydrogen 2.829 N/A ASN 221.A N ASN 217.A O no hydrogen 2.942 N/A TYR 222.A N ILE 218.A O no hydrogen 2.981 N/A TYR 222.A OH GLY 145.A O no hydrogen 2.868 N/A TYR 223.A N ALA 219.A O no hydrogen 2.911 N/A TYR 223.A OH ASP 258.A OD2 no hydrogen 2.589 N/A GLU 224.A N LYS 220.A O no hydrogen 3.222 N/A LEU 225.A N ASN 221.A O no hydrogen 3.314 N/A TRP 226.A N TYR 222.A O no hydrogen 2.904 N/A LYS 227.A N TYR 223.A O no hydrogen 2.899 N/A LYS 227.A NZ GLU 224.A OE1 no hydrogen 2.845 N/A GLU 228.A N GLU 224.A O no hydrogen 3.109 N/A LEU 229.A N LEU 225.A O no hydrogen 3.057 N/A ILE 230.A N TRP 226.A O no hydrogen 3.172 N/A LEU 231.A N LYS 227.A O no hydrogen 2.894 N/A GLU 232.A N GLU 228.A O no hydrogen 2.794 N/A ASN 233.A N LEU 229.A O no hydrogen 3.361 N/A ASN 233.A ND2 LEU 229.A O no hydrogen 2.769 N/A VAL 234.A N ILE 230.A O no hydrogen 3.108 N/A GLU 235.A N LEU 231.A O no hydrogen 2.866 N/A ASN 236.A N GLU 232.A O no hydrogen 3.077 N/A ASN 236.A ND2 GLU 232.A O no hydrogen 2.786 N/A VAL 237.A N ASN 233.A O no hydrogen 3.115 N/A ALA 238.A N VAL 234.A O no hydrogen 2.844 N/A GLU 239.A N GLU 235.A O no hydrogen 2.778 N/A LYS 240.A N ASN 236.A O no hydrogen 3.240 N/A LYS 240.A NZ TYR 241.A OH no hydrogen 3.501 N/A TYR 241.A N VAL 237.A O no hydrogen 3.042 N/A LYS 245.A NZ GLU 264.A OE2 no hydrogen 2.772 N/A VAL 246.A N GLU 264.A O no hydrogen 2.912 N/A VAL 247.A N ILE 99.A O no hydrogen 2.904 N/A ILE 248.A N ILE 266.A O no hydrogen 2.934 N/A THR 249.A N VAL 101.A O no hydrogen 3.239 N/A THR 249.A OG1 SER 277.A O no hydrogen 3.138 N/A THR 249.A OG1 THR 280.A OG1 no hydrogen 2.658 N/A GLY 250.A N SER 277.A OG no hydrogen 3.256 N/A GLU 253.A N GLY 250.A O no hydrogen 3.159 N/A ILE 255.A N GLY 252.A O no hydrogen 2.940 N/A LEU 256.A N GLY 252.A O no hydrogen 2.916 N/A LYS 257.A N GLU 253.A O no hydrogen 2.786 N/A ASP 258.A N ASN 254.A O no hydrogen 3.283 N/A ALA 259.A N ILE 255.A O no hydrogen 2.996 N/A LEU 260.A N LEU 256.A O no hydrogen 2.892 N/A PHE 263.A N LEU 260.A O no hydrogen 3.011 N/A GLU 264.A N LYS 244.A O no hydrogen 3.194 N/A ILE 266.A N VAL 246.A O no hydrogen 2.818 N/A SER 267.A OG GLU 253.A OE1 no hydrogen 2.537 N/A VAL 268.A N ILE 248.A O no hydrogen 3.088 N/A ALA 269.A N GLU 253.A OE2 no hydrogen 2.915 N/A GLU 270.A N SER 267.A OG no hydrogen 2.999 N/A ARG 271.A N SER 267.A O no hydrogen 3.000 N/A TYR 272.A N VAL 268.A O no hydrogen 2.702 N/A LYS 274.A NZ GLU 179.A OE2 no hydrogen 2.881 N/A SER 277.A N GLY 273.A O no hydrogen 3.244 N/A SER 277.A OG GLY 250.A O no hydrogen 3.562 N/A SER 277.A OG GLU 253.A OE2 no hydrogen 2.546 N/A LEU 278.A N LYS 274.A O no hydrogen 3.007 N/A LEU 278.A N ASP 275.A O no hydrogen 3.235 N/A ALA 279.A N VAL 276.A O no hydrogen 2.982 N/A THR 280.A OG1 THR 249.A OG1 no hydrogen 2.658 N/A THR 280.A OG1 VAL 276.A O no hydrogen 2.976 N/A THR 280.A OG1 SER 277.A O no hydrogen 3.094 N/A SER 282.A OG THR 12.A OG1 no hydrogen 2.896 N/A SER 282.A OG ALA 279.A O no hydrogen 2.853 N/A PHE 283.A N ALA 279.A O no hydrogen 3.227 N/A ALA 284.A N THR 280.A O no hydrogen 2.713 N/A VAL 285.A N PRO 281.A O no hydrogen 3.063 N/A ALA 286.A N PHE 283.A O no hydrogen 3.214 N/A GLU 287.A N PHE 283.A O no hydrogen 3.115 N/A LEU 288.A N ALA 284.A O no hydrogen 2.920 N/A LEU 289.A N VAL 285.A O no hydrogen 3.145 N/A LYS 290.A N ALA 286.A O no hydrogen 3.195 N/A LYS 290.A NZ GLU 287.A OE1 no hydrogen 2.866 N/A ASN 291.A N GLU 287.A O no hydrogen 3.148 N/A GLU 292.A N LEU 288.A O no hydrogen 3.066 N/A LEU 293.A N LEU 289.A O no hydrogen 2.988 N/A LEU 294.A N LYS 290.A O no hydrogen 2.902 N/A GLU 295.A N GLU 292.A O no hydrogen 3.290 N/A