Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xic_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 GLU 209.A O no hydrogen 2.911 N/A ASN 5.A ND2 HIS 234.A NE2 no hydrogen 2.882 N/A LEU 6.A N PRO 3.A O no hydrogen 3.063 N/A GLU 7.A N PRO 3.A O no hydrogen 3.238 N/A ARG 8.A N TRP 4.A O no hydrogen 2.869 N/A ARG 8.A NH1 ALA 184.A O no hydrogen 2.891 N/A ARG 8.A NH1 ASP 186.A OD1 no hydrogen 3.088 N/A ARG 8.A NH2 ALA 184.A O no hydrogen 2.944 N/A ILE 9.A N ASN 5.A O no hydrogen 3.172 N/A THR 10.A N GLU 7.A O no hydrogen 3.059 N/A THR 10.A OG1 LEU 6.A O no hydrogen 2.718 N/A TYR 14.A OH VAL 84.A O no hydrogen 2.703 N/A LEU 22.A N SER 244.A OG no hydrogen 2.987 N/A VAL 23.A N GLY 20.A O no hydrogen 3.089 N/A GLU 24.A N PRO 125.A O no hydrogen 3.187 N/A VAL 25.A N SER 89.A O no hydrogen 2.873 N/A TYR 26.A N VAL 127.A O no hydrogen 2.821 N/A LEU 27.A N ARG 91.A O no hydrogen 2.876 N/A LEU 28.A N LEU 129.A O no hydrogen 3.240 N/A ASP 29.A N LEU 93.A O no hydrogen 3.071 N/A THR 30.A N ASP 29.A OD1 no hydrogen 2.673 N/A THR 30.A OG1 ASP 29.A OD1 no hydrogen 3.569 N/A THR 30.A OG1 SER 31.A O no hydrogen 2.862 N/A SER 31.A OG ASP 67.A OD1 no hydrogen 2.631 N/A GLN 33.A N THR 71.A OG1 no hydrogen 2.872 N/A GLN 33.A NE2 SER 216.A O no hydrogen 3.011 N/A HIS 36.A N GLN 33.A O no hydrogen 3.136 N/A HIS 36.A NE2 CYS 221.A O no hydrogen 2.893 N/A ARG 37.A N SER 219.A O no hydrogen 2.869 N/A ARG 37.A NE ASP 35.A O no hydrogen 3.082 N/A ARG 37.A NH2 ASP 35.A O no hydrogen 2.926 N/A GLU 38.A N HIS 36.A ND1 no hydrogen 3.051 N/A ILE 39.A N HIS 36.A O no hydrogen 3.044 N/A GLU 40.A N HIS 36.A O no hydrogen 2.803 N/A ARG 42.A N ILE 39.A O no hydrogen 3.053 N/A ARG 42.A NH2 SER 78.A O no hydrogen 2.883 N/A VAL 43.A N ILE 39.A O no hydrogen 3.327 N/A MET 44.A N MET 90.A O no hydrogen 2.864 N/A THR 46.A N SER 92.A O no hydrogen 3.102 N/A THR 46.A OG1 SER 92.A O no hydrogen 2.759 N/A PHE 48.A N THR 46.A OG1 no hydrogen 3.234 N/A ASN 50.A N ARG 94.A O no hydrogen 2.989 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.824 N/A ASP 55.A N GLN 99.A OE1 no hydrogen 2.857 N/A ARG 61.A NE GLU 54.A OE1 no hydrogen 3.072 N/A ARG 61.A NH2 GLU 54.A OE1 no hydrogen 3.000 N/A GLN 62.A N HIS 60.A O no hydrogen 3.031 N/A CYS 66.A N GLN 62.A O no hydrogen 2.943 N/A CYS 66.A SG GLN 62.A O no hydrogen 3.242 N/A ASP 67.A N ALA 63.A O no hydrogen 2.950 N/A SER 68.A N LYS 65.A O no hydrogen 3.239 N/A SER 68.A OG.B LYS 65.A O no hydrogen 3.017 N/A HIS 69.A ND1 ASP 29.A OD1 no hydrogen 2.560 N/A GLY 70.A N THR 30.A OG1 no hydrogen 2.867 N/A THR 71.A N ASP 67.A O no hydrogen 3.045 N/A THR 71.A OG1 ASP 67.A O no hydrogen 2.648 N/A HIS 72.A N SER 68.A O no hydrogen 3.271 N/A HIS 72.A NE2 ILE 211.A O no hydrogen 2.841 N/A HIS 72.A NE2 VAL 223.A O no hydrogen 3.047 N/A LEU 73.A N HIS 69.A O no hydrogen 3.094 N/A ALA 74.A N GLY 70.A O no hydrogen 2.937 N/A GLY 75.A N THR 71.A O no hydrogen 3.154 N/A VAL 76.A N HIS 72.A O no hydrogen 2.965 N/A VAL 77.A N LEU 73.A O no hydrogen 3.058 N/A SER 78.A N ALA 74.A O no hydrogen 2.986 N/A SER 78.A OG ALA 74.A O no hydrogen 3.243 N/A GLY 79.A N GLY 75.A O no hydrogen 2.775 N/A ARG 80.A N GLU 38.A O no hydrogen 2.907 N/A ARG 80.A NH1 GLU 40.A O no hydrogen 3.198 N/A ARG 80.A NH2 GLU 40.A O no hydrogen 3.034 N/A ASP 81.A N GLU 38.A OE1 no hydrogen 2.842 N/A ALA 82.A N GLU 38.A OE2 no hydrogen 2.820 N/A GLY 83.A N GLY 79.A O no hydrogen 3.036 N/A VAL 84.A N VAL 76.A O no hydrogen 2.933 N/A ALA 85.A N VAL 77.A O no hydrogen 2.828 N/A LYS 86.A NZ GLY 83.A O no hydrogen 2.774 N/A GLY 87.A N GLY 19.A O no hydrogen 2.847 N/A ALA 88.A N ALA 85.A O no hydrogen 3.154 N/A MET 90.A N ARG 42.A O no hydrogen 2.879 N/A ARG 91.A N VAL 25.A O no hydrogen 2.978 N/A ARG 91.A NE GLU 24.A OE1 no hydrogen 2.789 N/A SER 92.A N MET 44.A O no hydrogen 2.998 N/A LEU 93.A N LEU 27.A O no hydrogen 2.848 N/A ARG 94.A N PHE 48.A O no hydrogen 3.050 N/A ARG 94.A NE LEU 96.A O no hydrogen 3.338 N/A ARG 94.A NH2 GLU 49.A OE1 no hydrogen 2.825 N/A VAL 95.A N ASP 29.A O no hydrogen 2.902 N/A LEU 96.A N ASP 29.A O no hydrogen 3.065 N/A ASN 97.A N LYS 101.A O no hydrogen 2.792 N/A ASN 97.A ND2 PRO 52.A O no hydrogen 3.054 N/A CYS 98.A N GLU 54.A OE2 no hydrogen 2.876 N/A CYS 98.A SG GLU 54.A OE2 no hydrogen 3.406 N/A GLN 99.A N ASN 97.A OD1 no hydrogen 2.911 N/A GLN 99.A NE2 ASP 55.A O no hydrogen 3.053 N/A GLY 100.A N ASN 97.A O no hydrogen 2.977 N/A LYS 101.A N ASN 97.A OD1 no hydrogen 3.022 N/A LYS 101.A NZ ASP 55.A OD2 no hydrogen 3.095 N/A THR 103.A OG1 SER 105.A OG no hydrogen 3.240 N/A SER 105.A OG THR 103.A OG1 no hydrogen 3.240 N/A GLY 106.A N THR 103.A OG1 no hydrogen 2.876 N/A THR 107.A N THR 103.A O no hydrogen 3.049 N/A THR 107.A OG1 THR 103.A O no hydrogen 2.876 N/A LEU 108.A N VAL 104.A O no hydrogen 2.872 N/A ILE 109.A N SER 105.A O no hydrogen 2.955 N/A GLY 110.A N GLY 106.A O no hydrogen 2.958 N/A LEU 111.A N THR 107.A O no hydrogen 2.887 N/A GLU 112.A N LEU 108.A O no hydrogen 2.994 N/A PHE 113.A N ILE 109.A O no hydrogen 2.945 N/A ILE 114.A N GLY 110.A O no hydrogen 3.060 N/A ARG 115.A N LEU 111.A O no hydrogen 3.230 N/A ARG 115.A NH1 GLN 118.A OE1 no hydrogen 2.810 N/A LYS 116.A N GLU 112.A O no hydrogen 2.890 N/A LYS 116.A NZ GLU 112.A OE1 no hydrogen 3.048 N/A SER 117.A N PHE 113.A O no hydrogen 2.903 N/A SER 117.A OG PHE 113.A O no hydrogen 2.862 N/A GLN 118.A N ILE 114.A O no hydrogen 3.019 N/A LEU 119.A N ARG 115.A O no hydrogen 3.021 N/A VAL 120.A N LYS 116.A O no hydrogen 3.152 N/A GLN 121.A N SER 117.A O no hydrogen 3.104 N/A VAL 127.A N GLU 24.A O no hydrogen 3.002 N/A VAL 128.A N VAL 153.A O no hydrogen 2.770 N/A LEU 129.A N TYR 26.A O no hydrogen 2.833 N/A LEU 130.A N VAL 155.A O no hydrogen 2.869 N/A GLY 134.A N SER 169.A O no hydrogen 2.860 N/A TYR 136.A N LEU 167.A O no hydrogen 3.021 N/A SER 137.A N SER 169.A OG no hydrogen 2.903 N/A LEU 140.A N SER 137.A OG no hydrogen 2.990 N/A ASN 141.A N SER 137.A O no hydrogen 3.023 N/A ASN 141.A ND2 SER 172.A OG no hydrogen 2.914 N/A ALA 142.A N ARG 138.A O no hydrogen 2.961 N/A ALA 143.A N VAL 139.A O no hydrogen 2.936 N/A CYS 144.A N LEU 140.A O no hydrogen 3.000 N/A CYS 144.A SG LEU 140.A O no hydrogen 3.356 N/A GLN 145.A N ASN 141.A O no hydrogen 2.923 N/A GLN 145.A NE2 GLU 175.A OE2 no hydrogen 2.777 N/A ARG 146.A N ALA 142.A O no hydrogen 2.934 N/A LEU 147.A N ALA 143.A O no hydrogen 3.060 N/A ALA 148.A N CYS 144.A O no hydrogen 2.910 N/A ARG 149.A N GLN 145.A O no hydrogen 2.886 N/A ARG 149.A NH2 GLU 175.A OE2 no hydrogen 3.501 N/A ALA 150.A N ARG 146.A O no hydrogen 3.014 N/A GLY 151.A N ALA 148.A O no hydrogen 2.972 N/A VAL 152.A N LEU 147.A O no hydrogen 3.232 N/A VAL 153.A N LEU 126.A O no hydrogen 3.131 N/A VAL 155.A N VAL 128.A O no hydrogen 2.874 N/A THR 156.A N ILE 177.A O no hydrogen 2.827 N/A THR 156.A OG1 LEU 130.A O no hydrogen 2.713 N/A ALA 157.A N LEU 130.A O no hydrogen 3.239 N/A ALA 158.A N VAL 179.A O no hydrogen 2.908 N/A GLY 159.A N THR 228.A OG1 no hydrogen 3.073 N/A PHE 161.A N ASN 197.A OD1 no hydrogen 3.064 N/A ARG 162.A N GLY 195.A O no hydrogen 2.867 N/A ARG 162.A NH2 TRP 271.A O no hydrogen 3.277 N/A ASP 163.A N ASN 197.A OD1 no hydrogen 2.955 N/A ASP 164.A N ASP 163.A OD1 no hydrogen 2.882 N/A ALA 165.A N PHE 198.A O no hydrogen 2.950 N/A CYS 166.A N ASP 164.A OD1 no hydrogen 2.968 N/A CYS 166.A SG ASP 164.A OD1 no hydrogen 3.405 N/A LEU 167.A N ASP 164.A O no hydrogen 3.135 N/A TYR 168.A N ALA 165.A O no hydrogen 3.134 N/A TYR 168.A OH ASP 163.A OD2 no hydrogen 2.643 N/A SER 169.A N GLY 134.A O no hydrogen 2.897 N/A SER 169.A OG ASN 141.A OD1 no hydrogen 2.656 N/A SER 169.A OG SER 172.A OG no hydrogen 3.187 N/A SER 172.A N TYR 168.A O no hydrogen 2.897 N/A SER 172.A OG TYR 168.A O no hydrogen 2.749 N/A SER 172.A OG SER 169.A OG no hydrogen 3.187 N/A ALA 173.A N PRO 170.A O no hydrogen 2.945 N/A VAL 176.A N ALA 173.A O no hydrogen 3.168 N/A ILE 177.A N LEU 154.A O no hydrogen 2.898 N/A THR 178.A N ASP 203.A OD2 no hydrogen 2.806 N/A THR 178.A OG1 ALA 171.A O no hydrogen 2.805 N/A THR 178.A OG1 VAL 176.A O no hydrogen 3.548 N/A VAL 179.A N THR 156.A O no hydrogen 2.954 N/A GLY 180.A N LEU 204.A O no hydrogen 2.934 N/A ALA 181.A N THR 196.A OG1 no hydrogen 2.991 N/A THR 182.A N ALA 206.A O no hydrogen 2.991 N/A ASN 183.A N GLN 187.A O no hydrogen 2.806 N/A GLN 185.A N ASN 183.A OD1 no hydrogen 2.897 N/A ASP 186.A N ASN 183.A O no hydrogen 2.847 N/A GLN 187.A N ASN 183.A OD1 no hydrogen 3.045 N/A GLN 187.A NE2 GLN 185.A O no hydrogen 2.885 N/A GLN 187.A NE2 VAL 266.A O no hydrogen 3.392 N/A VAL 189.A N ALA 181.A O no hydrogen 3.019 N/A LEU 191.A N LEU 194.A O no hydrogen 3.021 N/A LEU 194.A N LEU 191.A O no hydrogen 2.961 N/A THR 196.A N VAL 189.A O no hydrogen 2.907 N/A THR 196.A OG1 ASN 197.A O no hydrogen 2.964 N/A ASN 197.A N GLY 159.A O no hydrogen 2.869 N/A ASN 197.A ND2 ALA 158.A O no hydrogen 2.892 N/A PHE 198.A N ASP 163.A O no hydrogen 3.024 N/A GLY 199.A N THR 280.A OG1 no hydrogen 2.885 N/A VAL 202.A N GLY 199.A O no hydrogen 3.165 N/A ASP 203.A N THR 178.A O no hydrogen 2.872 N/A PHE 205.A N LEU 283.A O no hydrogen 2.878 N/A ALA 206.A N GLY 180.A O no hydrogen 2.957 N/A GLY 208.A N THR 182.A O no hydrogen 2.872 N/A ASP 210.A N SER 226.A OG no hydrogen 2.905 N/A ILE 211.A N GLN 225.A O no hydrogen 2.913 N/A GLY 213.A N VAL 223.A O no hydrogen 2.988 N/A SER 215.A N CYS 221.A O no hydrogen 2.861 N/A SER 216.A OG SER 64.A O no hydrogen 2.505 N/A ASP 217.A N SER 215.A OG no hydrogen 3.139 N/A CYS 221.A N CYS 218.A O no hydrogen 3.173 N/A VAL 223.A N GLY 213.A O no hydrogen 2.868 N/A GLN 225.A N ILE 211.A O no hydrogen 3.051 N/A GLN 225.A NE2 SER 68.A OG.A no hydrogen 3.391 N/A GLY 227.A N GLY 208.A O no hydrogen 2.821 N/A THR 228.A N ASN 160.A OD1 no hydrogen 2.912 N/A THR 228.A OG1 ASN 160.A OD1 no hydrogen 2.783 N/A SER 229.A OG HIS 69.A NE2 no hydrogen 3.236 N/A SER 229.A OG PRO 131.A O no hydrogen 2.951 N/A GLN 230.A N GLN 230.A OE1 no hydrogen 2.899 N/A GLN 230.A NE2 HIS 72.A ND1 no hydrogen 3.201 N/A ALA 231.A N GLY 227.A O no hydrogen 3.349 N/A ALA 232.A N THR 228.A O no hydrogen 2.885 N/A ALA 233.A N SER 229.A O no hydrogen 2.928 N/A HIS 234.A N GLN 230.A O no hydrogen 3.176 N/A HIS 234.A ND1 GLN 230.A O no hydrogen 2.794 N/A VAL 235.A N ALA 231.A O no hydrogen 3.242 N/A ALA 236.A N ALA 232.A O no hydrogen 2.858 N/A GLY 237.A N ALA 233.A O no hydrogen 3.018 N/A ILE 238.A N HIS 234.A O no hydrogen 2.872 N/A ALA 239.A N VAL 235.A O no hydrogen 2.784 N/A ALA 240.A N ALA 236.A O no hydrogen 2.909 N/A MET 241.A N GLY 237.A O no hydrogen 3.020 N/A MET 242.A N ILE 238.A O no hydrogen 2.863 N/A LEU 243.A N ALA 239.A O no hydrogen 2.841 N/A SER 244.A N ALA 240.A O no hydrogen 2.936 N/A ALA 245.A N MET 241.A O no hydrogen 3.123 N/A GLU 246.A N MET 242.A O no hydrogen 2.974 N/A LEU 249.A N GLU 246.A O no hydrogen 3.168 N/A THR 250.A N GLU 253.A OE1 no hydrogen 3.015 N/A GLU 253.A N THR 250.A OG1 no hydrogen 3.263 N/A LEU 254.A N THR 250.A O no hydrogen 2.924 N/A ARG 255.A N LEU 251.A O no hydrogen 2.938 N/A ARG 255.A NH1 PRO 174.A O no hydrogen 3.450 N/A ARG 255.A NH1 ASP 203.A OD1 no hydrogen 3.280 N/A ARG 255.A NH2 PRO 174.A O no hydrogen 3.206 N/A GLN 256.A N ALA 252.A O no hydrogen 3.032 N/A ARG 257.A N GLU 253.A O no hydrogen 2.964 N/A ARG 257.A NE GLU 246.A OE1 no hydrogen 3.056 N/A ARG 257.A NH1 GLU 246.A OE2 no hydrogen 2.910 N/A LEU 258.A N LEU 254.A O no hydrogen 2.951 N/A ILE 259.A N ARG 255.A O no hydrogen 3.087 N/A HIS 260.A N GLN 256.A O no hydrogen 2.932 N/A PHE 261.A N ARG 257.A O no hydrogen 2.987 N/A SER 262.A N ILE 259.A O no hydrogen 3.218 N/A SER 262.A OG LEU 258.A O no hydrogen 2.700 N/A ALA 263.A N VAL 284.A O no hydrogen 2.825 N/A LYS 264.A NZ ILE 259.A O no hydrogen 3.051 N/A LYS 264.A NZ HIS 260.A O no hydrogen 2.936 N/A LYS 264.A NZ SER 262.A O no hydrogen 2.794 N/A ASP 265.A N ASN 282.A O no hydrogen 3.116 N/A ILE 267.A N ASN 282.A OD1 no hydrogen 2.974 N/A ASN 268.A N GLN 187.A OE1 no hydrogen 2.813 N/A ALA 270.A N ASN 268.A OD1 no hydrogen 3.309 N/A TRP 271.A N ASN 268.A O no hydrogen 3.433 N/A PHE 272.A N GLU 269.A O no hydrogen 3.046 N/A GLN 276.A N PRO 273.A O no hydrogen 2.924 N/A GLN 276.A NE2 ASP 164.A OD2 no hydrogen 3.064 N/A ARG 277.A N GLU 274.A O no hydrogen 3.393 N/A ARG 277.A NE PHE 272.A O no hydrogen 2.972 N/A ARG 277.A NH2 PHE 272.A O no hydrogen 3.319 N/A LEU 279.A N GLN 276.A O no hydrogen 3.212 N/A THR 280.A N GLN 276.A O no hydrogen 2.955 N/A THR 280.A OG1 GLN 276.A O no hydrogen 2.694 N/A ASN 282.A ND2 ILE 267.A O no hydrogen 2.900 N/A ASN 282.A ND2 GLU 269.A OE2 no hydrogen 3.148 N/A VAL 284.A N ALA 263.A O no hydrogen 2.973 N/A ALA 285.A N PHE 205.A O no hydrogen 2.828 N/A LEU 287.A N ILE 9.A O no hydrogen 2.791 N/A