Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ASP 5.A OD2 no hydrogen 2.843 N/A ASP 5.A N LEU 2.A O no hydrogen 2.884 N/A VAL 6.A N PHE 3.A O no hydrogen 3.124 N/A TYR 7.A N PHE 3.A O no hydrogen 3.068 N/A TYR 7.A OH GLU 74.A OE2 no hydrogen 2.537 N/A GLU 8.A N ILE 25.A O no hydrogen 2.823 N/A CYS 10.A N ARG 23.A O no hydrogen 2.807 N/A CYS 10.A SG GLU 8.A O no hydrogen 3.592 N/A ILE 13.A N.A VAL 21.A O no hydrogen 2.718 N/A ILE 13.A N.B VAL 21.A O no hydrogen 2.710 N/A GLY 14.A N VAL 21.A O no hydrogen 3.168 N/A GLY 16.A N SER 19.A O no hydrogen 2.640 N/A VAL 20.A N ILE 37.A O no hydrogen 3.155 N/A VAL 21.A N GLY 14.A O no hydrogen 2.773 N/A ARG 22.A N VAL 35.A O no hydrogen 2.948 N/A ARG 22.A NE CYS 10.A O no hydrogen 2.821 N/A ARG 22.A NH1 CYS 10.A O no hydrogen 2.762 N/A ARG 23.A N GLU 11.A O no hydrogen 2.875 N/A ARG 23.A NE GLU 11.A OE1 no hydrogen 3.187 N/A ARG 23.A NE GLU 11.A OE2 no hydrogen 2.829 N/A ARG 23.A NH1 GLU 11.A OE2 no hydrogen 2.397 N/A CYS 24.A N PHE 33.A O no hydrogen 2.979 N/A CYS 24.A SG PHE 33.A O no hydrogen 4.017 N/A ILE 25.A N GLU 8.A O no hydrogen 2.937 N/A ASN 26.A N GLN 31.A O no hydrogen 2.935 N/A ARG 27.A N VAL 6.A O no hydrogen 2.969 N/A ARG 27.A NE GLU 4.A O no hydrogen 2.701 N/A ARG 27.A NH1 GLU 4.A O no hydrogen 2.932 N/A GLY 30.A N ASN 26.A O no hydrogen 2.690 N/A PHE 33.A N CYS 24.A O no hydrogen 2.909 N/A ALA 34.A N PHE 86.A O no hydrogen 2.855 N/A VAL 35.A N ARG 22.A O no hydrogen 2.812 N/A LYS 36.A N MET 84.A O no hydrogen 2.887 N/A LYS 36.A NZ GLU 57.A OE2 no hydrogen 2.605 N/A ILE 37.A N VAL 20.A O no hydrogen 2.841 N/A VAL 38.A N LEU 82.A O no hydrogen 2.703 N/A ASP 39.A N PHE 18.A O no hydrogen 3.181 N/A VAL 40.A N GLY 80.A O no hydrogen 3.019 N/A LYS 42.A N ASP 39.A OD2 no hydrogen 3.260 N/A LYS 42.A NZ ASP 39.A OD1 no hydrogen 3.362 N/A PHE 43.A N ASP 39.A O no hydrogen 3.070 N/A THR 44.A N VAL 40.A O no hydrogen 3.262 N/A THR 44.A OG1 VAL 40.A O no hydrogen 3.351 N/A SER 45.A N LYS 42.A O no hydrogen 3.192 N/A SER 45.A OG ALA 41.A O no hydrogen 2.940 N/A SER 46.A OG PRO 47.A O no hydrogen 2.868 N/A SER 50.A N ASP 53.A OD1 no hydrogen 2.699 N/A GLU 52.A N SER 50.A OG no hydrogen 2.962 N/A ASP 53.A N SER 50.A O no hydrogen 3.147 N/A LYS 55.A N THR 51.A O no hydrogen 3.026 N/A ARG 56.A N GLU 52.A O no hydrogen 2.942 N/A ARG 56.A NH1 ASP 53.A OD2 no hydrogen 3.338 N/A GLU 57.A N ASP 53.A O no hydrogen 3.096 N/A ALA 58.A N LEU 54.A O no hydrogen 2.979 N/A SER 59.A N LYS 55.A O no hydrogen 2.861 N/A ILE 60.A N ARG 56.A O no hydrogen 2.956 N/A CYS 61.A N GLU 57.A O no hydrogen 3.000 N/A CYS 61.A SG GLU 57.A O no hydrogen 3.353 N/A HIS 62.A N.A ALA 58.A O no hydrogen 2.949 N/A HIS 62.A N.B ALA 58.A O no hydrogen 2.953 N/A MET 63.A N SER 59.A O no hydrogen 3.291 N/A LEU 64.A N ILE 60.A O no hydrogen 3.166 N/A LYS 65.A N TYR 126.A OH no hydrogen 2.965 N/A LYS 65.A NZ GLU 71.A OE1 no hydrogen 3.128 N/A HIS 68.A N HIS 66.A ND1 no hydrogen 3.045 N/A HIS 68.A ND1 VAL 153.A O.A no hydrogen 2.747 N/A HIS 68.A ND1 VAL 153.A O.B no hydrogen 2.796 N/A ILE 69.A N HIS 66.A O no hydrogen 3.081 N/A VAL 70.A N LEU 155.A O no hydrogen 2.954 N/A GLU 71.A N GLU 87.A OE1 no hydrogen 2.789 N/A LEU 73.A N VAL 85.A O no hydrogen 2.676 N/A GLU 74.A N VAL 85.A O no hydrogen 3.331 N/A TYR 76.A N.A TYR 83.A O no hydrogen 2.724 N/A TYR 76.A N.B TYR 83.A O no hydrogen 2.755 N/A TYR 76.A OH.A GLU 74.A OE2 no hydrogen 2.839 N/A TYR 76.A OH.B VAL 1.A O no hydrogen 3.374 N/A SER 78.A N MET 81.A O no hydrogen 3.133 N/A SER 78.A OG ASP 79.A OD1.B no hydrogen 3.321 N/A MET 81.A N SER 78.A O no hydrogen 2.779 N/A LEU 82.A N VAL 38.A O no hydrogen 2.868 N/A TYR 83.A N TYR 76.A O.A no hydrogen 2.809 N/A TYR 83.A N TYR 76.A O.B no hydrogen 2.861 N/A TYR 83.A OH ASP 79.A OD2.B no hydrogen 2.891 N/A MET 84.A N LYS 36.A O no hydrogen 2.754 N/A VAL 85.A N GLU 74.A O no hydrogen 2.764 N/A PHE 86.A N ALA 34.A O no hydrogen 2.645 N/A GLU 87.A N GLU 71.A O no hydrogen 2.927 N/A ASP 90.A N ALA 145.A O no hydrogen 2.884 N/A ALA 92.A N GLU 97.A OE1 no hydrogen 2.956 N/A LEU 94.A N VAL 142.A O no hydrogen 2.860 N/A PHE 96.A N ASP 93.A OD2 no hydrogen 3.143 N/A GLU 97.A N ASP 93.A O no hydrogen 3.021 N/A ILE 98.A N LEU 94.A O no hydrogen 2.922 N/A LYS 100.A N PHE 96.A O no hydrogen 3.139 N/A ARG 101.A N GLU 97.A O no hydrogen 2.871 N/A ARG 101.A NE GLU 97.A OE2 no hydrogen 3.030 N/A ARG 101.A NH1 SER 146.A O no hydrogen 3.078 N/A ARG 101.A NH2 GLU 148.A O no hydrogen 2.743 N/A ALA 102.A N ILE 98.A O no hydrogen 2.909 N/A ASP 103.A N VAL 99.A O no hydrogen 2.849 N/A ALA 104.A N LYS 100.A O no hydrogen 3.065 N/A GLY 105.A N ALA 102.A O no hydrogen 2.974 N/A PHE 106.A N ARG 101.A O no hydrogen 3.022 N/A TYR 108.A N HIS 282.A ND1 no hydrogen 2.836 N/A TYR 108.A OH LEU 207.A O no hydrogen 2.657 N/A ALA 111.A N TYR 279.A O no hydrogen 3.127 N/A VAL 112.A N SER 109.A OG no hydrogen 3.323 N/A ALA 113.A N SER 109.A O no hydrogen 3.225 N/A SER 114.A N GLU 110.A O no hydrogen 2.703 N/A SER 114.A OG TRP 270.A O no hydrogen 2.714 N/A HIS 115.A N ALA 111.A O no hydrogen 3.002 N/A TYR 116.A N VAL 112.A O no hydrogen 3.017 N/A MET 117.A N ALA 113.A O no hydrogen 2.867 N/A ARG 118.A N SER 114.A O no hydrogen 2.910 N/A GLN 119.A N HIS 115.A O no hydrogen 3.246 N/A GLN 119.A NE2 HIS 115.A O no hydrogen 3.309 N/A ILE 120.A N TYR 116.A O no hydrogen 3.200 N/A LEU 121.A N MET 117.A O no hydrogen 2.948 N/A GLU 122.A N ARG 118.A O no hydrogen 2.760 N/A ALA 123.A N GLN 119.A O no hydrogen 3.116 N/A LEU 124.A N ILE 120.A O no hydrogen 3.067 N/A ARG 125.A N.A LEU 121.A O no hydrogen 2.727 N/A ARG 125.A N.B LEU 121.A O no hydrogen 2.719 N/A TYR 126.A N GLU 122.A O no hydrogen 3.250 N/A TYR 126.A OH MET 63.A O no hydrogen 3.258 N/A CYS 127.A N ALA 123.A O no hydrogen 2.992 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.492 N/A HIS 128.A N LEU 124.A O no hydrogen 2.787 N/A HIS 128.A ND1 ILE 132.A O no hydrogen 3.247 N/A ASP 129.A N ARG 125.A O.A no hydrogen 2.821 N/A ASP 129.A N ARG 125.A O.B no hydrogen 2.819 N/A ASN 130.A N TYR 126.A O no hydrogen 3.289 N/A ASN 130.A N CYS 127.A O no hydrogen 2.891 N/A ASN 131.A N HIS 128.A O no hydrogen 2.981 N/A ILE 132.A N CYS 127.A O no hydrogen 2.942 N/A ILE 133.A N ILE 162.A O no hydrogen 3.023 N/A HIS 134.A N ASP 196.A OD2 no hydrogen 2.941 N/A HIS 134.A NE2 GLY 156.A O no hydrogen 2.891 N/A ARG 135.A N ASP 196.A OD1 no hydrogen 2.974 N/A ARG 135.A NE VAL 160.A O no hydrogen 2.727 N/A ARG 135.A NH1 VAL 160.A O no hydrogen 2.859 N/A ARG 135.A NH2 TYR 191.A OH no hydrogen 2.933 N/A ASP 136.A N HIS 134.A ND1 no hydrogen 3.026 N/A LYS 138.A NZ ASP 136.A OD2 no hydrogen 3.408 N/A LYS 138.A NZ THR 177.A OG1 no hydrogen 2.912 N/A CYS 141.A N LYS 138.A O no hydrogen 3.018 N/A CYS 141.A SG ASP 136.A O no hydrogen 3.458 N/A VAL 142.A N PRO 139.A O no hydrogen 3.044 N/A LEU 143.A N LYS 154.A O no hydrogen 3.052 N/A LEU 144.A N.A ALA 92.A O no hydrogen 3.188 N/A LEU 144.A N.B ALA 92.A O no hydrogen 3.200 N/A ALA 145.A N PRO 152.A O no hydrogen 2.882 N/A GLU 148.A N SER 146.A OG no hydrogen 3.428 N/A ALA 151.A N GLU 148.A O no hydrogen 3.162 N/A VAL 153.A N.A GLN 119.A OE1 no hydrogen 2.750 N/A VAL 153.A N.B GLN 119.A OE1 no hydrogen 2.719 N/A LYS 154.A N LEU 143.A O no hydrogen 2.899 N/A LYS 154.A NZ GLU 87.A OE1 no hydrogen 3.362 N/A LYS 154.A NZ GLU 87.A OE2 no hydrogen 2.865 N/A LEU 155.A N HIS 68.A O no hydrogen 2.734 N/A GLY 156.A N CYS 141.A O no hydrogen 2.787 N/A ALA 161.A N PHE 158.A O no hydrogen 3.124 N/A ILE 162.A N ILE 133.A O no hydrogen 2.964 N/A GLN 163.A NE2 ASN 130.A O no hydrogen 2.908 N/A LEU 164.A N ASN 131.A O no hydrogen 2.643 N/A GLY 168.A N GLY 165.A O no hydrogen 3.036 N/A LEU 169.A N SER 167.A OG no hydrogen 3.204 N/A VAL 170.A N TYR 191.A O no hydrogen 2.727 N/A ARG 174.A NE VAL 186.A O no hydrogen 2.941 N/A ARG 174.A NH1 VAL 186.A O no hydrogen 2.991 N/A THR 177.A OG1 ASP 136.A OD1 no hydrogen 2.716 N/A HIS 179.A ND1 PHE 214.A O no hydrogen 3.119 N/A PHE 180.A N THR 177.A O no hydrogen 2.888 N/A MET 181.A N PRO 178.A O no hydrogen 3.266 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.746 N/A VAL 185.A N ALA 182.A O no hydrogen 3.067 N/A VAL 186.A N ALA 182.A O no hydrogen 2.950 N/A LYS 187.A N PRO 183.A O no hydrogen 2.954 N/A ARG 188.A N VAL 185.A O no hydrogen 2.982 N/A GLU 189.A N GLU 184.A O no hydrogen 2.828 N/A TYR 191.A N VAL 170.A O no hydrogen 3.139 N/A LYS 193.A NZ HIS 128.A O no hydrogen 3.117 N/A LYS 193.A NZ ASN 131.A OD1 no hydrogen 3.020 N/A VAL 195.A N GLY 192.A O no hydrogen 3.109 N/A ASP 196.A N LYS 193.A O no hydrogen 3.050 N/A TRP 198.A N PRO 194.A O no hydrogen 2.982 N/A GLY 199.A N VAL 195.A O no hydrogen 3.068 N/A CYS 200.A N ASP 196.A O no hydrogen 3.020 N/A CYS 200.A SG ASP 196.A O no hydrogen 3.417 N/A GLY 201.A N VAL 197.A O no hydrogen 2.802 N/A VAL 202.A N TRP 198.A O no hydrogen 2.974 N/A ILE 203.A N GLY 199.A O no hydrogen 2.987 N/A LEU 204.A N CYS 200.A O no hydrogen 2.832 N/A PHE 205.A N GLY 201.A O no hydrogen 2.936 N/A ILE 206.A N VAL 202.A O no hydrogen 3.012 N/A LEU 207.A N ILE 203.A O no hydrogen 2.742 N/A LEU 208.A N LEU 204.A O no hydrogen 2.858 N/A SER 209.A N PHE 205.A O no hydrogen 3.072 N/A SER 209.A OG PHE 205.A O no hydrogen 2.808 N/A GLY 210.A N ILE 206.A O no hydrogen 2.744 N/A CYS 211.A N SER 209.A OG no hydrogen 3.245 N/A CYS 211.A SG SER 209.A O no hydrogen 3.713 N/A CYS 211.A SG GLN 236.A OE1 no hydrogen 3.451 N/A LEU 221.A N THR 217.A O no hydrogen 2.743 N/A PHE 222.A N LYS 218.A O no hydrogen 2.810 N/A GLU 223.A N GLU 219.A O no hydrogen 2.734 N/A GLY 224.A N ARG 220.A O no hydrogen 2.839 N/A ILE 225.A N LEU 221.A O no hydrogen 2.983 N/A ILE 226.A N PHE 222.A O no hydrogen 3.001 N/A LYS 227.A N GLU 223.A O no hydrogen 2.983 N/A GLY 228.A N GLY 224.A O no hydrogen 2.891 N/A GLN 236.A N ASN 233.A O no hydrogen 3.174 N/A TRP 237.A N ASN 233.A O no hydrogen 2.749 N/A SER 238.A N PRO 234.A O no hydrogen 2.956 N/A SER 238.A OG PRO 234.A O no hydrogen 2.730 N/A HIS 239.A N GLN 236.A O no hydrogen 3.452 N/A ILE 240.A N TRP 237.A O no hydrogen 3.022 N/A SER 241.A N GLU 110.A OE1 no hydrogen 2.700 N/A SER 241.A OG GLU 110.A OE1 no hydrogen 3.507 N/A SER 241.A OG GLU 110.A OE2 no hydrogen 2.779 N/A ALA 244.A N SER 241.A OG no hydrogen 3.141 N/A LYS 245.A N SER 241.A O no hydrogen 3.206 N/A LYS 245.A NZ TRP 237.A O no hydrogen 3.018 N/A LYS 245.A NZ ILE 240.A O no hydrogen 3.550 N/A ASP 246.A N GLU 242.A O no hydrogen 2.846 N/A LEU 247.A N SER 243.A O no hydrogen 3.122 N/A VAL 248.A N ALA 244.A O no hydrogen 3.022 N/A ARG 249.A N LYS 245.A O no hydrogen 3.025 N/A ARG 250.A N ASP 246.A O no hydrogen 3.124 N/A ARG 250.A NE ASP 246.A OD1 no hydrogen 2.895 N/A ARG 250.A NE ASP 246.A OD2 no hydrogen 3.365 N/A ARG 250.A NH2 ASP 246.A OD2 no hydrogen 3.553 N/A MET 251.A N LEU 247.A O no hydrogen 3.014 N/A LEU 252.A N VAL 248.A O no hydrogen 2.953 N/A ALA 257.A N ASP 255.A OD1 no hydrogen 2.904 N/A GLU 258.A N ASP 255.A O no hydrogen 2.854 N/A ARG 259.A N ASP 255.A O no hydrogen 3.002 N/A ARG 259.A NE MET 253.A O no hydrogen 2.846 N/A ARG 259.A NH1 GLU 184.A OE1 no hydrogen 3.451 N/A ARG 259.A NH1 GLU 184.A OE2 no hydrogen 2.770 N/A ARG 259.A NH1 PRO 194.A O no hydrogen 2.999 N/A ARG 259.A NH2 GLU 184.A OE1 no hydrogen 3.081 N/A ARG 259.A NH2 MET 253.A O no hydrogen 2.960 N/A ARG 259.A NH2 LEU 254.A O no hydrogen 3.087 N/A ILE 260.A N ARG 250.A O no hydrogen 3.136 N/A THR 261.A N GLU 264.A OE2 no hydrogen 3.020 N/A TYR 263.A OH ASP 129.A OD2 no hydrogen 2.515 N/A GLU 264.A N THR 261.A OG1 no hydrogen 3.106 N/A ALA 265.A N THR 261.A O no hydrogen 2.836 N/A LEU 266.A N VAL 262.A O no hydrogen 3.053 N/A ASN 267.A N GLU 264.A O no hydrogen 3.086 N/A HIS 268.A N ALA 265.A O no hydrogen 2.938 N/A HIS 268.A NE2 ASP 246.A OD1 no hydrogen 2.878 N/A TRP 270.A N HIS 268.A ND1 no hydrogen 3.045 N/A TRP 270.A NE1 GLU 110.A OE2 no hydrogen 2.949 N/A LEU 271.A N HIS 268.A O no hydrogen 3.009 N/A LYS 272.A N HIS 268.A O no hydrogen 2.816 N/A GLU 273.A N PRO 269.A O no hydrogen 2.820 N/A ARG 276.A N GLU 273.A O no hydrogen 2.884 N/A TYR 277.A N GLU 273.A O no hydrogen 2.985 N/A ALA 278.A N ARG 274.A O no hydrogen 2.983 N/A TYR 279.A N GLU 110.A OE2 no hydrogen 3.090 N/A LYS 280.A NZ ASP 275.A O no hydrogen 3.487 N/A LEU 283.A N TYR 108.A O no hydrogen 2.861 N/A THR 286.A OG1 LEU 208.A O no hydrogen 2.738 N/A VAL 287.A N LEU 283.A O no hydrogen 3.029 N/A GLU 288.A N PRO 284.A O no hydrogen 2.961 N/A GLN 289.A N GLU 285.A O no hydrogen 3.062 N/A LEU 290.A N THR 286.A O no hydrogen 2.839 N/A ARG 291.A N VAL 287.A O no hydrogen 2.893 N/A ARG 291.A NE GLU 288.A OE1 no hydrogen 2.871 N/A ARG 291.A NE GLU 288.A OE2 no hydrogen 3.359 N/A ARG 291.A NH1 ASP 103.A OD2 no hydrogen 2.838 N/A ARG 291.A NH1 GLU 288.A OE2 no hydrogen 2.881 N/A ARG 291.A NH2 ASP 103.A OD1 no hydrogen 2.822 N/A ARG 291.A NH2 ASP 103.A OD2 no hydrogen 3.496 N/A LYS 292.A N GLU 288.A O no hydrogen 3.301 N/A PHE 293.A N GLN 289.A O no hydrogen 2.831 N/A ASN 294.A N LEU 290.A O no hydrogen 2.792 N/A ALA 295.A N ARG 291.A O no hydrogen 2.991 N/A ARG 296.A N LYS 292.A O no hydrogen 2.879 N/A ARG 297.A N PHE 293.A O no hydrogen 3.007 N/A ARG 297.A NH1 ASP 93.A OD1 no hydrogen 2.837 N/A ARG 297.A NH2 ASP 93.A OD1 no hydrogen 3.376 N/A ARG 297.A NH2 ASP 93.A OD2 no hydrogen 3.090 N/A LYS 298.A N ASN 294.A O no hydrogen 2.861 N/A