Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mfw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ASP 42.A O no hydrogen 2.957 N/A GLY 5.A N ILE 89.A O no hydrogen 2.765 N/A ILE 6.A N LYS 44.A O no hydrogen 2.806 N/A ILE 7.A N LEU 91.A O no hydrogen 2.878 N/A GLY 8.A N GLY 47.A O no hydrogen 2.891 N/A ALA 9.A N LEU 93.A O no hydrogen 2.889 N/A LYS 13.A NZ ASP 53.A OD2 no hydrogen 3.174 N/A GLY 14.A N ASP 96.A OD2 no hydrogen 2.806 N/A GLN 15.A N SER 12.A O no hydrogen 3.103 N/A GLN 15.A NE2 SER 12.A O no hydrogen 2.956 N/A GLN 15.A NE2 ARG 17.A O no hydrogen 2.760 N/A ARG 17.A N GLN 15.A OE1 no hydrogen 3.074 N/A GLY 19.A N GLU 21.A OE1 no hydrogen 2.620 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.822 N/A GLU 22.A N GLY 19.A O no hydrogen 2.818 N/A GLY 23.A N VAL 20.A O no hydrogen 3.104 N/A VAL 26.A N GLU 22.A O no hydrogen 2.929 N/A LEU 27.A N GLY 23.A O no hydrogen 2.787 N/A ARG 28.A N PRO 24.A O no hydrogen 2.948 N/A ARG 28.A NE ASP 45.A OD2 no hydrogen 2.934 N/A ARG 28.A NH1 ASP 48.A OD1 no hydrogen 2.749 N/A ARG 28.A NH2 ASP 45.A OD1 no hydrogen 2.753 N/A ARG 28.A NH2 ASP 45.A OD2 no hydrogen 3.260 N/A ARG 28.A NH2 ASP 48.A OD1 no hydrogen 3.199 N/A LYS 29.A N THR 25.A O no hydrogen 2.925 N/A ALA 30.A N VAL 26.A O no hydrogen 3.111 N/A ALA 30.A N LEU 27.A O no hydrogen 3.254 N/A GLY 31.A N ARG 28.A O no hydrogen 2.833 N/A LYS 35.A N GLY 31.A O no hydrogen 2.903 N/A LEU 36.A N LEU 32.A O no hydrogen 2.887 N/A LYS 37.A N LEU 33.A O no hydrogen 3.011 N/A GLU 38.A N GLU 34.A O no hydrogen 3.093 N/A GLU 38.A N LYS 35.A O no hydrogen 3.316 N/A GLN 39.A N LEU 36.A O no hydrogen 2.861 N/A GLN 39.A NE2 LEU 297.A O no hydrogen 3.186 N/A GLN 39.A NE2 PHE 300.A O no hydrogen 3.445 N/A CYS 41.A SG GLU 40.A OE1 no hydrogen 3.783 N/A LYS 44.A N ILE 4.A O no hydrogen 2.955 N/A TYR 46.A N ILE 6.A O no hydrogen 2.757 N/A GLY 47.A N ASP 45.A OD1 no hydrogen 2.819 N/A LEU 49.A N GLY 8.A O no hydrogen 2.815 N/A PHE 60.A N VAL 63.A O no hydrogen 2.815 N/A VAL 63.A N PHE 60.A O no hydrogen 2.805 N/A LYS 64.A N GLY 134.A O no hydrogen 2.994 N/A LYS 64.A NZ ASN 135.A OD1 no hydrogen 2.733 N/A ASN 65.A ND2 LYS 13.A O no hydrogen 2.879 N/A ARG 67.A N ASP 57.A OD1 no hydrogen 2.924 N/A ARG 67.A NH1 ASP 57.A OD1 no hydrogen 2.901 N/A ARG 67.A NH1 SER 58.A O no hydrogen 2.983 N/A SER 68.A N ASP 57.A OD2 no hydrogen 2.792 N/A SER 68.A OG ASP 57.A OD2 no hydrogen 2.563 N/A VAL 69.A N ASN 65.A O no hydrogen 2.974 N/A GLY 70.A N PRO 66.A O no hydrogen 2.788 N/A LYS 71.A N ARG 67.A O no hydrogen 2.929 N/A ALA 72.A N SER 68.A O no hydrogen 2.914 N/A SER 73.A N VAL 69.A O no hydrogen 3.032 N/A SER 73.A OG SER 98.A O no hydrogen 3.279 N/A GLU 74.A N GLY 70.A O no hydrogen 2.836 N/A GLN 75.A N LYS 71.A O no hydrogen 2.920 N/A GLN 75.A NE2 PRO 50.A O no hydrogen 2.829 N/A LEU 76.A N ALA 72.A O no hydrogen 2.881 N/A ALA 77.A N SER 73.A O no hydrogen 2.843 N/A GLY 78.A N GLU 74.A O no hydrogen 3.139 N/A LYS 79.A N GLN 75.A O no hydrogen 3.167 N/A LYS 79.A NZ GLU 82.A OE2 no hydrogen 2.612 N/A VAL 80.A N LEU 76.A O no hydrogen 2.816 N/A ALA 81.A N ALA 77.A O no hydrogen 2.988 N/A GLU 82.A N GLY 78.A O no hydrogen 3.138 N/A VAL 83.A N LYS 79.A O no hydrogen 2.959 N/A LYS 84.A N VAL 80.A O no hydrogen 2.938 N/A LYS 84.A NZ ARG 88.A O no hydrogen 2.901 N/A LYS 84.A NZ SER 267.A O no hydrogen 2.856 N/A LYS 84.A NZ SER 267.A OG no hydrogen 2.954 N/A LYS 85.A N ALA 81.A O no hydrogen 2.844 N/A ASN 86.A N GLU 82.A O no hydrogen 2.952 N/A ASN 86.A ND2 TYR 46.A OH no hydrogen 2.495 N/A GLY 87.A N LYS 84.A O no hydrogen 2.872 N/A ARG 88.A N VAL 83.A O no hydrogen 3.240 N/A ILE 89.A N THR 3.A O no hydrogen 2.769 N/A SER 90.A N SER 267.A O no hydrogen 3.358 N/A LEU 91.A N GLY 5.A O no hydrogen 2.914 N/A VAL 92.A N LEU 269.A O no hydrogen 2.805 N/A LEU 93.A N ILE 7.A O no hydrogen 2.841 N/A GLY 94.A N ILE 271.A O no hydrogen 2.869 N/A GLY 95.A N VAL 20.A O no hydrogen 2.891 N/A ASP 96.A N PHE 11.A O no hydrogen 3.023 N/A HIS 97.A N GLU 273.A OE2 no hydrogen 2.791 N/A HIS 97.A NE2 SER 226.A OG no hydrogen 2.840 N/A SER 98.A N ASP 96.A OD1 no hydrogen 2.744 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 2.641 N/A LEU 99.A N ASP 96.A O no hydrogen 3.236 N/A ALA 100.A N HIS 97.A O no hydrogen 3.051 N/A ILE 101.A N SER 98.A O no hydrogen 3.062 N/A GLY 102.A N SER 73.A OG no hydrogen 3.048 N/A SER 103.A N LEU 99.A O no hydrogen 2.815 N/A SER 103.A OG ASP 270.A OD1 no hydrogen 2.730 N/A ILE 104.A N ALA 100.A O no hydrogen 2.928 N/A SER 105.A N ILE 101.A O no hydrogen 3.024 N/A SER 105.A OG ILE 101.A O no hydrogen 2.736 N/A GLY 106.A N GLY 102.A O no hydrogen 2.900 N/A HIS 107.A N SER 103.A O no hydrogen 2.994 N/A HIS 107.A ND1 HIS 224.A ND1 no hydrogen 2.828 N/A HIS 107.A NE2 SER 267.A OG no hydrogen 2.626 N/A ALA 108.A N ILE 104.A O no hydrogen 2.871 N/A ARG 109.A N SER 105.A O no hydrogen 3.067 N/A ARG 109.A N GLY 106.A O no hydrogen 3.154 N/A VAL 110.A N HIS 107.A O no hydrogen 3.063 N/A HIS 111.A N HIS 107.A O no hydrogen 2.811 N/A LEU 114.A N HIS 111.A O no hydrogen 3.173 N/A GLY 115.A N PRO 222.A O no hydrogen 2.848 N/A VAL 116.A N ASP 169.A O no hydrogen 2.709 N/A ILE 117.A N HIS 224.A O no hydrogen 2.881 N/A TRP 118.A N VAL 171.A O no hydrogen 2.777 N/A TRP 118.A NE1 ASP 120.A OD2 no hydrogen 2.989 N/A VAL 119.A N SER 226.A O no hydrogen 2.936 N/A ASP 120.A N ILE 173.A O no hydrogen 3.082 N/A ALA 121.A N ASP 230.A OD2 no hydrogen 3.310 N/A HIS 122.A N ASP 120.A OD1 no hydrogen 2.851 N/A HIS 122.A ND1 ASP 120.A OD1 no hydrogen 3.160 N/A THR 123.A OG1 GLU 182.A OE2 no hydrogen 2.720 N/A ILE 125.A N GLU 182.A OE2 no hydrogen 2.950 N/A ASN 126.A N GLY 138.A O no hydrogen 3.055 N/A ASN 126.A ND2 ASP 179.A OD2 no hydrogen 2.718 N/A THR 127.A N THR 130.A OG1 no hydrogen 2.868 N/A LEU 129.A N THR 127.A OG1 no hydrogen 3.017 N/A THR 130.A N THR 127.A O no hydrogen 3.226 N/A THR 130.A N THR 127.A OG1 no hydrogen 3.056 N/A THR 130.A OG1 ASN 126.A OD1 no hydrogen 2.600 N/A THR 131.A N THR 127.A O no hydrogen 2.976 N/A GLY 134.A N THR 131.A OG1 no hydrogen 2.865 N/A ASN 135.A N SER 133.A OG no hydrogen 3.020 N/A HIS 137.A N GLY 14.A O no hydrogen 2.835 N/A HIS 137.A ND1 GLU 273.A OE2 no hydrogen 2.759 N/A GLY 138.A N ASN 135.A O no hydrogen 3.041 N/A GLN 139.A N LEU 136.A O no hydrogen 3.024 N/A GLN 139.A NE2 ASN 135.A O no hydrogen 3.346 N/A VAL 141.A N ASP 124.A O no hydrogen 2.905 N/A SER 142.A N GLN 139.A O no hydrogen 3.109 N/A SER 142.A OG ASN 126.A O no hydrogen 2.816 N/A SER 142.A OG GLN 139.A O no hydrogen 2.891 N/A PHE 143.A N PRO 140.A O no hydrogen 3.058 N/A LEU 144.A N VAL 141.A O no hydrogen 2.966 N/A LEU 145.A N VAL 141.A O no hydrogen 3.136 N/A LYS 146.A N ILE 165.A O no hydrogen 2.802 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.755 N/A LEU 148.A N LEU 145.A O no hydrogen 3.152 N/A LYS 149.A N LYS 146.A O no hydrogen 3.053 N/A LYS 149.A NZ LYS 146.A O no hydrogen 2.823 N/A LYS 149.A NZ LYS 149.A O no hydrogen 3.281 N/A LYS 151.A N LEU 148.A O no hydrogen 2.753 N/A PHE 158.A N VAL 155.A O no hydrogen 3.042 N/A VAL 161.A N PHE 158.A O no hydrogen 3.041 N/A CYS 164.A N LEU 144.A O no hydrogen 2.956 N/A ILE 165.A N LEU 144.A O no hydrogen 3.140 N/A SER 166.A N ASP 169.A OD2 no hydrogen 2.855 N/A ALA 167.A N GLU 147.A OE1 no hydrogen 2.979 N/A ALA 167.A N GLU 147.A OE2 no hydrogen 2.916 N/A ASP 169.A N SER 166.A O no hydrogen 2.844 N/A VAL 171.A N VAL 116.A O no hydrogen 2.844 N/A TYR 172.A N LYS 192.A O no hydrogen 3.280 N/A TYR 172.A OH THR 123.A O no hydrogen 2.703 N/A ILE 173.A N TRP 118.A O no hydrogen 2.897 N/A GLY 174.A N PHE 194.A O no hydrogen 2.914 N/A ARG 176.A N ALA 121.A O no hydrogen 2.827 N/A ARG 176.A NE VAL 244.A O no hydrogen 2.970 N/A ARG 176.A NE VAL 245.A O no hydrogen 3.198 N/A ARG 176.A NH1 GLY 174.A O no hydrogen 3.022 N/A ARG 176.A NH1 GLY 231.A O no hydrogen 2.861 N/A ARG 176.A NH2 ASP 230.A O no hydrogen 2.830 N/A ARG 176.A NH2 GLY 231.A O no hydrogen 3.427 N/A ARG 176.A NH2 LEU 232.A O no hydrogen 3.306 N/A ARG 176.A NH2 VAL 244.A O no hydrogen 2.937 N/A ASP 177.A N ALA 121.A O no hydrogen 2.932 N/A ASP 179.A N GLU 182.A OE1 no hydrogen 2.904 N/A HIS 183.A N ASP 179.A O no hydrogen 2.829 N/A TYR 184.A N PRO 180.A O no hydrogen 2.899 N/A ILE 185.A N GLY 181.A O no hydrogen 2.863 N/A LEU 186.A N GLU 182.A O no hydrogen 2.893 N/A LYS 187.A N HIS 183.A O no hydrogen 3.048 N/A LYS 187.A NZ TYR 193.A OH no hydrogen 2.500 N/A THR 188.A N TYR 184.A O no hydrogen 2.781 N/A THR 188.A OG1 TYR 184.A O no hydrogen 2.796 N/A LEU 189.A N ILE 185.A O no hydrogen 2.831 N/A ILE 191.A N LEU 186.A O no hydrogen 2.971 N/A PHE 194.A N TYR 172.A O no hydrogen 2.805 N/A SER 195.A N GLU 198.A OE1 no hydrogen 2.848 N/A SER 195.A OG GLU 198.A OE1 no hydrogen 2.566 N/A MET 196.A N LEU 175.A O no hydrogen 2.854 N/A THR 197.A N SER 195.A OG no hydrogen 3.089 N/A VAL 199.A N SER 195.A O no hydrogen 2.986 N/A ASP 200.A N MET 196.A O no hydrogen 2.815 N/A ARG 201.A N THR 197.A O no hydrogen 2.877 N/A ARG 201.A NH2 GLU 198.A OE2 no hydrogen 2.865 N/A LEU 202.A N GLU 198.A O no hydrogen 2.894 N/A GLY 203.A N VAL 199.A O no hydrogen 2.860 N/A LYS 206.A NZ GLU 209.A OE1 no hydrogen 3.155 N/A VAL 207.A N GLY 203.A O no hydrogen 3.001 N/A MET 208.A N ILE 204.A O no hydrogen 2.989 N/A GLU 209.A N GLY 205.A O no hydrogen 2.975 N/A GLU 210.A N LYS 206.A O no hydrogen 2.851 N/A THR 211.A N VAL 207.A O no hydrogen 2.771 N/A THR 211.A OG1 VAL 207.A O no hydrogen 2.947 N/A LEU 212.A N MET 208.A O no hydrogen 2.876 N/A SER 213.A N GLU 209.A O no hydrogen 2.927 N/A TYR 214.A N GLU 210.A O no hydrogen 2.938 N/A LEU 215.A N THR 211.A O no hydrogen 3.056 N/A LEU 216.A N LEU 212.A O no hydrogen 2.700 N/A GLY 217.A N SER 213.A O no hydrogen 2.774 N/A LYS 220.A NZ LEU 216.A O no hydrogen 3.368 N/A ARG 221.A NE LEU 215.A O no hydrogen 2.803 N/A ARG 221.A NH1 ASP 113.A O no hydrogen 2.855 N/A ARG 221.A NH1 ASP 169.A OD1 no hydrogen 3.427 N/A ARG 221.A NH2 ASP 169.A OD1 no hydrogen 3.502 N/A ARG 221.A NH2 LEU 215.A O no hydrogen 3.223 N/A ILE 223.A N LEU 265.A O no hydrogen 2.882 N/A HIS 224.A N GLY 115.A O no hydrogen 2.778 N/A HIS 224.A ND1 HIS 107.A ND1 no hydrogen 2.828 N/A HIS 224.A NE2 ASP 270.A OD2 no hydrogen 2.805 N/A LEU 225.A N GLY 268.A O no hydrogen 2.824 N/A SER 226.A N ILE 117.A O no hydrogen 2.792 N/A SER 226.A OG HIS 97.A NE2 no hydrogen 2.840 N/A SER 226.A OG ASP 270.A OD2 no hydrogen 2.582 N/A PHE 227.A N ASP 270.A O no hydrogen 2.846 N/A ASP 228.A N VAL 119.A O no hydrogen 2.889 N/A VAL 229.A N MET 272.A O no hydrogen 3.028 N/A ASP 230.A N ASP 228.A OD1 no hydrogen 2.835 N/A GLY 231.A N ASP 228.A O no hydrogen 2.841 N/A LEU 232.A N VAL 229.A O no hydrogen 3.114 N/A ASP 233.A N LEU 248.A O no hydrogen 2.792 N/A SER 235.A N ASP 233.A OD1 no hydrogen 2.941 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.762 N/A PHE 236.A N ASP 233.A O no hydrogen 2.882 N/A THR 237.A N ASP 233.A O no hydrogen 3.067 N/A THR 237.A OG1 VAL 229.A O no hydrogen 2.828 N/A THR 237.A OG1 ASP 233.A O no hydrogen 3.347 N/A ALA 239.A N THR 288.A OG1 no hydrogen 2.899 N/A THR 240.A N PRO 238.A O no hydrogen 2.822 N/A THR 240.A OG1 GLU 273.A O no hydrogen 2.797 N/A THR 242.A OG1 ASP 230.A OD1 no hydrogen 3.179 N/A GLY 247.A N ASP 233.A OD2 no hydrogen 2.826 N/A LEU 248.A N GLY 231.A O no hydrogen 3.221 N/A THR 249.A N GLU 252.A OE1 no hydrogen 2.921 N/A GLU 252.A N THR 249.A OG1 no hydrogen 2.973 N/A GLY 253.A N THR 249.A O no hydrogen 2.891 N/A LEU 254.A N TYR 250.A O no hydrogen 2.987 N/A TYR 255.A N ARG 251.A O no hydrogen 2.781 N/A ILE 256.A N GLU 252.A O no hydrogen 2.926 N/A THR 257.A N GLY 253.A O no hydrogen 3.253 N/A THR 257.A OG1 GLY 253.A O no hydrogen 2.905 N/A THR 257.A OG1 LEU 254.A O no hydrogen 3.103 N/A GLU 258.A N LEU 254.A O no hydrogen 2.829 N/A GLU 259.A N TYR 255.A O no hydrogen 2.963 N/A ILE 260.A N ILE 256.A O no hydrogen 2.991 N/A TYR 261.A N THR 257.A O no hydrogen 2.853 N/A LYS 262.A N GLU 258.A O no hydrogen 3.044 N/A LYS 262.A NZ GLU 259.A OE2 no hydrogen 2.832 N/A THR 263.A N ILE 260.A O no hydrogen 3.074 N/A THR 263.A OG1 ILE 260.A O no hydrogen 2.658 N/A GLY 264.A N TYR 261.A O no hydrogen 3.029 N/A LEU 265.A N THR 263.A OG1 no hydrogen 3.028 N/A SER 267.A N ILE 223.A O no hydrogen 2.753 N/A SER 267.A OG HIS 107.A NE2 no hydrogen 2.626 N/A GLY 268.A N ILE 223.A O no hydrogen 3.198 N/A LEU 269.A N SER 90.A O no hydrogen 2.827 N/A ASP 270.A N LEU 225.A O no hydrogen 2.883 N/A ILE 271.A N VAL 92.A O no hydrogen 2.895 N/A MET 272.A N PHE 227.A O no hydrogen 2.838 N/A GLU 273.A N GLY 95.A O no hydrogen 2.910 N/A ASN 275.A N ALA 239.A O no hydrogen 2.821 N/A ASN 275.A ND2 GLY 18.A O no hydrogen 3.154 N/A SER 277.A N ASN 275.A OD1 no hydrogen 3.100 N/A LEU 278.A N ASN 275.A O no hydrogen 2.979 N/A GLY 279.A N PRO 276.A O no hydrogen 3.159 N/A LYS 280.A N GLU 284.A OE1 no hydrogen 2.749 N/A GLU 284.A N THR 281.A OG1 no hydrogen 2.915 N/A VAL 285.A N THR 281.A O no hydrogen 3.356 N/A THR 286.A N PRO 282.A O no hydrogen 3.088 N/A THR 286.A OG1 GLU 283.A O no hydrogen 3.202 N/A ARG 287.A N GLU 283.A O no hydrogen 2.933 N/A ARG 287.A NE GLU 283.A OE2 no hydrogen 3.050 N/A ARG 287.A NH1 SER 235.A O no hydrogen 2.779 N/A ARG 287.A NH2 GLU 283.A OE1 no hydrogen 2.794 N/A THR 288.A N GLU 284.A O no hydrogen 3.049 N/A THR 288.A OG1 GLU 284.A O no hydrogen 2.801 N/A VAL 289.A N VAL 285.A O no hydrogen 2.910 N/A ASN 290.A N THR 286.A O no hydrogen 2.735 N/A THR 291.A N ARG 287.A O no hydrogen 2.977 N/A THR 291.A OG1 PHE 236.A O no hydrogen 3.234 N/A THR 291.A OG1 ARG 287.A O no hydrogen 2.946 N/A ALA 292.A N THR 288.A O no hydrogen 2.977 N/A VAL 293.A N VAL 289.A O no hydrogen 2.881 N/A ALA 294.A N ASN 290.A O no hydrogen 3.018 N/A ILE 295.A N THR 291.A O no hydrogen 2.854 N/A THR 296.A N ALA 292.A O no hydrogen 2.922 N/A THR 296.A OG1 ALA 292.A O no hydrogen 2.764 N/A LEU 297.A N VAL 293.A O no hydrogen 2.765 N/A ALA 298.A N ALA 294.A O no hydrogen 2.981 N/A CYS 299.A N ILE 295.A O no hydrogen 3.242 N/A CYS 299.A SG ILE 295.A O no hydrogen 3.483 N/A PHE 300.A N LEU 297.A O no hydrogen 3.023 N/A GLY 301.A N ALA 298.A O no hydrogen 3.151 N/A LEU 302.A N LEU 297.A O no hydrogen 3.121 N/A ALA 303.A N ASN 307.A OD1 no hydrogen 2.985 N/A ARG 304.A N GLU 258.A OE2 no hydrogen 3.127 N/A ARG 304.A NE GLU 258.A OE1 no hydrogen 3.374 N/A ARG 304.A NE GLU 258.A OE2 no hydrogen 2.919 N/A ARG 304.A NH2 GLU 258.A OE1 no hydrogen 2.824 N/A GLY 306.A N ALA 303.A O no hydrogen 2.862 N/A ASN 307.A ND2 GLY 301.A O no hydrogen 2.775 N/A LYS 309.A N TYR 313.A OH no hydrogen 2.771 N/A ILE 311.A N LYS 309.A O no hydrogen 2.728 N/A LEU 314.A N ASP 312.A OD2 no hydrogen 2.863 N/A