Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 72.A O no hydrogen 2.787 N/A ARG 7.A N GLU 75.A OE2 no hydrogen 3.339 N/A ARG 7.A NE GLU 75.A O no hydrogen 3.268 N/A ARG 7.A NH1 PRO 78.A O no hydrogen 3.187 N/A ARG 7.A NH2 GLU 75.A O no hydrogen 2.886 N/A ARG 7.A NH2 PRO 78.A O no hydrogen 3.253 N/A ASP 9.A N LYS 6.A O no hydrogen 2.719 N/A ILE 10.A N ARG 7.A O no hydrogen 3.122 N/A VAL 11.A N GLU 28.A O no hydrogen 2.920 N/A LYS 13.A N LEU 26.A O no hydrogen 2.834 N/A TRP 14.A N LEU 26.A O no hydrogen 3.462 N/A LEU 16.A N VAL 24.A O no hydrogen 2.712 N/A GLY 17.A N VAL 24.A O no hydrogen 3.413 N/A GLY 19.A N GLY 22.A O no hydrogen 2.821 N/A ALA 20.A N ASP 168.A OD2 no hydrogen 3.090 N/A LYS 23.A N ALA 43.A O no hydrogen 3.048 N/A VAL 24.A N GLY 17.A O no hydrogen 2.742 N/A PHE 25.A N VAL 41.A O no hydrogen 2.895 N/A LEU 26.A N TRP 14.A O no hydrogen 2.880 N/A ALA 27.A N VAL 39.A O no hydrogen 2.966 N/A GLU 28.A N VAL 11.A O no hydrogen 2.979 N/A CYS 29.A N MET 37.A O no hydrogen 2.638 N/A CYS 29.A SG HIS 30.A O no hydrogen 3.980 N/A HIS 30.A N ASP 9.A O no hydrogen 2.811 N/A HIS 30.A ND1 ASP 9.A O no hydrogen 2.841 N/A ASN 31.A N ASP 35.A OD2 no hydrogen 3.490 N/A VAL 39.A N ALA 27.A O no hydrogen 2.755 N/A ALA 40.A N PHE 83.A O no hydrogen 2.863 N/A VAL 41.A N PHE 25.A O no hydrogen 2.935 N/A LYS 42.A N MET 81.A O no hydrogen 2.777 N/A LYS 42.A NZ PHE 163.A O no hydrogen 3.242 N/A ALA 43.A N LYS 23.A O no hydrogen 2.873 N/A LEU 44.A N LEU 79.A O no hydrogen 2.850 N/A LYS 45.A N PHE 21.A O no hydrogen 3.145 N/A LYS 45.A NZ GLU 18.A OE2 no hydrogen 3.350 N/A LYS 45.A NZ GLY 19.A O no hydrogen 2.730 N/A ARG 48.A NH2 THR 74.A O no hydrogen 3.407 N/A GLN 49.A N SER 46.A O no hydrogen 3.210 N/A ASP 50.A N SER 46.A O no hydrogen 3.475 N/A PHE 51.A N ALA 47.A O no hydrogen 3.089 N/A GLN 52.A N ARG 48.A O no hydrogen 3.451 N/A ARG 53.A N GLN 49.A O no hydrogen 3.122 N/A ARG 53.A NH2 ASP 50.A OD2 no hydrogen 2.620 N/A GLU 54.A N ASP 50.A O no hydrogen 2.864 N/A ALA 55.A N PHE 51.A O no hydrogen 2.813 N/A GLU 56.A N GLN 52.A O no hydrogen 3.144 N/A GLU 56.A N ARG 53.A O no hydrogen 3.056 N/A LEU 57.A N ARG 53.A O no hydrogen 2.952 N/A LEU 58.A N GLU 54.A O no hydrogen 3.098 N/A THR 59.A N GLU 56.A O no hydrogen 3.197 N/A THR 59.A OG1 ALA 55.A O no hydrogen 2.638 N/A MET 60.A N LEU 57.A O no hydrogen 3.003 N/A HIS 65.A N HIS 63.A ND1 no hydrogen 2.997 N/A HIS 65.A ND1 VAL 158.A O no hydrogen 3.175 N/A ILE 66.A N HIS 63.A O no hydrogen 3.137 N/A VAL 67.A N ILE 160.A O no hydrogen 2.864 N/A ARG 68.A N GLU 84.A OE2 no hydrogen 3.114 N/A PHE 70.A N VAL 82.A O no hydrogen 2.861 N/A VAL 72.A N HIS 3.A O no hydrogen 3.012 N/A CYS 73.A N LEU 80.A O no hydrogen 2.891 N/A CYS 73.A SG ILE 5.A O no hydrogen 3.308 N/A LEU 80.A N CYS 73.A O no hydrogen 3.112 N/A MET 81.A N LYS 42.A O no hydrogen 2.789 N/A VAL 82.A N GLY 71.A O no hydrogen 2.882 N/A PHE 83.A N ALA 40.A O no hydrogen 2.770 N/A GLU 84.A N ARG 68.A O no hydrogen 2.983 N/A ARG 87.A NH1 GLU 109.A OE2 no hydrogen 3.169 N/A ARG 87.A NH1 GLN 154.A OE1 no hydrogen 2.706 N/A ARG 87.A NH2 GLU 109.A OE2 no hydrogen 3.000 N/A HIS 88.A N VAL 152.A O no hydrogen 3.074 N/A HIS 88.A NE2 ASP 110.A OD1 no hydrogen 2.923 N/A HIS 88.A NE2 ASP 110.A OD2 no hydrogen 2.889 N/A GLY 89.A N MET 86.A O no hydrogen 2.942 N/A LEU 91.A N CYS 150.A O no hydrogen 2.995 N/A ASN 92.A N THR 147.A O no hydrogen 3.237 N/A ASN 92.A ND2 THR 147.A OG1 no hydrogen 3.182 N/A ASN 92.A ND2 GLU 213.A OE2 no hydrogen 3.553 N/A ASN 92.A ND2 GLY 218.A O no hydrogen 3.091 N/A ARG 93.A N ASP 90.A OD2 no hydrogen 2.881 N/A PHE 94.A N ASP 90.A O no hydrogen 2.977 N/A LEU 95.A N LEU 91.A O no hydrogen 2.922 N/A ARG 96.A N ASN 92.A O no hydrogen 3.045 N/A ARG 96.A NE ASN 92.A OD1 no hydrogen 2.990 N/A SER 97.A N ARG 93.A O no hydrogen 3.033 N/A SER 97.A OG PHE 94.A O no hydrogen 2.915 N/A HIS 98.A N LEU 95.A O no hydrogen 2.994 N/A HIS 98.A NE2 ALA 112.A O no hydrogen 2.907 N/A GLY 99.A N ARG 96.A O no hydrogen 3.109 N/A GLY 117.A N GLN 120.A OE1 no hydrogen 2.788 N/A LEU 121.A N GLY 117.A O no hydrogen 2.853 N/A LEU 122.A N LEU 118.A O no hydrogen 2.861 N/A ALA 123.A N GLY 119.A O no hydrogen 2.875 N/A VAL 124.A N GLN 120.A O no hydrogen 2.908 N/A ALA 125.A N LEU 121.A O no hydrogen 3.160 N/A SER 126.A N LEU 122.A O no hydrogen 2.816 N/A GLN 127.A N ALA 123.A O no hydrogen 2.918 N/A GLN 127.A NE2 ALA 123.A O no hydrogen 3.500 N/A GLN 127.A NE2 LEU 156.A O no hydrogen 3.148 N/A VAL 128.A N VAL 124.A O no hydrogen 3.198 N/A ALA 129.A N ALA 125.A O no hydrogen 2.908 N/A ALA 130.A N SER 126.A O no hydrogen 2.897 N/A GLY 131.A N GLN 127.A O no hydrogen 3.286 N/A MET 132.A N VAL 128.A O no hydrogen 3.030 N/A VAL 133.A N ALA 129.A O no hydrogen 2.783 N/A TYR 134.A N ALA 130.A O no hydrogen 3.220 N/A LEU 135.A N GLY 131.A O no hydrogen 3.246 N/A ALA 136.A N MET 132.A O no hydrogen 3.046 N/A GLY 137.A N VAL 133.A O no hydrogen 3.016 N/A LEU 138.A N TYR 134.A O no hydrogen 3.314 N/A LEU 138.A N LEU 135.A O no hydrogen 2.760 N/A HIS 139.A N ALA 136.A O no hydrogen 2.673 N/A PHE 140.A N LEU 135.A O no hydrogen 3.121 N/A HIS 142.A N ASP 203.A OD2 no hydrogen 2.833 N/A ARG 143.A N ASP 203.A OD1 no hydrogen 3.249 N/A ASP 144.A N HIS 142.A ND1 no hydrogen 2.897 N/A THR 147.A N GLU 213.A OE1 no hydrogen 3.007 N/A THR 147.A OG1 GLU 213.A OE2 no hydrogen 2.823 N/A ARG 148.A NE TYR 174.A OH no hydrogen 2.994 N/A ARG 148.A NH2 ASP 144.A OD1 no hydrogen 2.970 N/A ARG 148.A NH2 TYR 174.A OH no hydrogen 3.441 N/A ASN 149.A N ALA 146.A O no hydrogen 2.846 N/A ASN 149.A ND2 ASP 144.A O no hydrogen 2.733 N/A ASN 149.A ND2 ASP 144.A OD2 no hydrogen 2.978 N/A CYS 150.A N THR 147.A O no hydrogen 3.094 N/A CYS 150.A SG ALA 146.A O no hydrogen 3.684 N/A LEU 151.A N LYS 159.A O no hydrogen 2.656 N/A VAL 152.A N GLY 89.A O no hydrogen 3.017 N/A GLY 153.A N VAL 157.A O no hydrogen 2.757 N/A GLY 155.A N ASP 110.A OD1 no hydrogen 2.723 N/A LEU 156.A N GLY 153.A O no hydrogen 3.067 N/A VAL 158.A N GLN 127.A OE1 no hydrogen 2.758 N/A LYS 159.A N LEU 151.A O no hydrogen 2.822 N/A LYS 159.A NZ GLU 84.A OE2 no hydrogen 2.743 N/A ILE 160.A N HIS 65.A O no hydrogen 2.904 N/A GLY 161.A N ASN 149.A O no hydrogen 3.057 N/A GLY 164.A N ASP 162.A OD1 no hydrogen 2.812 N/A SER 166.A OG ASN 149.A OD1 no hydrogen 2.529 N/A ARG 167.A NE MET 182.A O no hydrogen 3.142 N/A ARG 167.A NH2 MET 182.A O no hydrogen 2.726 N/A ASP 168.A N MET 165.A O no hydrogen 3.021 N/A ILE 169.A N MET 165.A O no hydrogen 3.078 N/A TYR 170.A N SER 166.A O no hydrogen 2.771 N/A TYR 170.A OH ASP 90.A OD1 no hydrogen 2.613 N/A TYR 170.A OH ASP 90.A OD2 no hydrogen 3.397 N/A ASP 173.A N TYR 170.A O no hydrogen 2.915 N/A TYR 174.A N SER 171.A O no hydrogen 2.938 N/A TYR 174.A OH ASP 144.A OD2 no hydrogen 2.555 N/A TYR 175.A N LEU 183.A O no hydrogen 2.861 N/A ARG 176.A NE ARG 180.A O no hydrogen 2.527 N/A ARG 176.A NH2 ARG 180.A O no hydrogen 3.336 N/A GLY 179.A N ARG 176.A O no hydrogen 2.907 N/A ARG 180.A N VAL 177.A O no hydrogen 3.033 N/A LEU 183.A N TYR 175.A O no hydrogen 3.047 N/A ILE 185.A N LEU 183.A O no hydrogen 2.917 N/A ARG 186.A NH1 PRO 221.A O no hydrogen 3.018 N/A ARG 186.A NH1 TRP 222.A O no hydrogen 2.828 N/A ARG 186.A NH1 LEU 225.A O no hydrogen 3.434 N/A ARG 186.A NH2 LEU 225.A O no hydrogen 2.944 N/A ARG 186.A NH2 ASN 227.A OD1 no hydrogen 3.262 N/A TRP 187.A N PRO 184.A O no hydrogen 2.993 N/A TRP 187.A NE1 GLU 213.A OE1 no hydrogen 2.795 N/A MET 188.A N ILE 185.A O no hydrogen 2.953 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.963 N/A SER 192.A N PRO 189.A O no hydrogen 3.186 N/A SER 192.A OG LYS 197.A O no hydrogen 2.845 N/A SER 192.A OG SER 202.A OG no hydrogen 2.538 N/A ILE 193.A N PRO 189.A O no hydrogen 3.184 N/A LEU 194.A N PRO 190.A O no hydrogen 2.745 N/A TYR 195.A N GLU 191.A O no hydrogen 2.935 N/A LYS 197.A N GLU 191.A O no hydrogen 3.402 N/A THR 199.A OG1 GLU 201.A OE1 no hydrogen 3.203 N/A GLU 201.A N THR 199.A OG1 no hydrogen 3.035 N/A SER 202.A N THR 199.A OG1 no hydrogen 3.206 N/A SER 202.A OG SER 192.A OG no hydrogen 2.538 N/A SER 202.A OG LYS 197.A O no hydrogen 3.564 N/A ASP 203.A N THR 199.A O no hydrogen 3.042 N/A VAL 204.A N THR 200.A O no hydrogen 3.041 N/A TRP 205.A N GLU 201.A O no hydrogen 3.259 N/A SER 206.A N SER 202.A O no hydrogen 3.146 N/A SER 206.A OG TRP 187.A O no hydrogen 2.583 N/A SER 206.A OG SER 202.A O no hydrogen 3.476 N/A PHE 207.A N ASP 203.A O no hydrogen 2.844 N/A GLY 208.A N VAL 204.A O no hydrogen 3.005 N/A VAL 209.A N TRP 205.A O no hydrogen 3.290 N/A VAL 210.A N SER 206.A O no hydrogen 2.873 N/A LEU 211.A N PHE 207.A O no hydrogen 2.915 N/A TRP 212.A N GLY 208.A O no hydrogen 3.270 N/A TRP 212.A NE1 GLU 241.A O no hydrogen 2.895 N/A GLU 213.A N VAL 209.A O no hydrogen 2.894 N/A ILE 214.A N VAL 210.A O no hydrogen 2.845 N/A PHE 215.A N LEU 211.A O no hydrogen 3.032 N/A THR 216.A N GLU 213.A O no hydrogen 3.158 N/A THR 216.A OG1 TRP 212.A O no hydrogen 2.832 N/A THR 216.A OG1 GLU 213.A O no hydrogen 3.094 N/A GLY 218.A N GLU 213.A O no hydrogen 2.682 N/A LYS 219.A N THR 216.A O no hydrogen 3.231 N/A GLN 220.A NE2 THR 172.A O no hydrogen 3.448 N/A GLN 220.A NE2 ASP 173.A OD1 no hydrogen 3.015 N/A GLN 224.A N GLN 224.A OE1 no hydrogen 2.744 N/A LEU 225.A N TRP 222.A O no hydrogen 2.805 N/A SER 226.A N GLU 229.A OE1 no hydrogen 2.862 N/A SER 226.A OG GLU 229.A OE1 no hydrogen 3.391 N/A GLU 229.A N SER 226.A OG no hydrogen 3.103 N/A ALA 230.A N SER 226.A O no hydrogen 2.822 N/A ILE 231.A N ASN 227.A O no hydrogen 2.961 N/A ASP 232.A N THR 228.A O no hydrogen 3.068 N/A CYS 233.A N GLU 229.A O no hydrogen 2.868 N/A CYS 233.A SG GLU 229.A O no hydrogen 3.816 N/A ILE 234.A N ALA 230.A O no hydrogen 2.931 N/A THR 235.A N ILE 231.A O no hydrogen 2.881 N/A THR 235.A OG1 ILE 231.A O no hydrogen 3.126 N/A GLN 236.A N ASP 232.A O no hydrogen 3.033 N/A GLN 236.A N CYS 233.A O no hydrogen 3.146 N/A GLY 237.A N CYS 233.A O no hydrogen 3.170 N/A GLY 237.A N ILE 234.A O no hydrogen 3.241 N/A ARG 238.A N CYS 233.A O no hydrogen 3.072 N/A ARG 242.A NH1 CYS 246.A O no hydrogen 2.820 N/A CYS 246.A N PRO 243.A O no hydrogen 2.854 N/A CYS 246.A SG PRO 247.A O no hydrogen 3.518 N/A VAL 250.A N PRO 247.A O no hydrogen 2.910 N/A TYR 251.A N PRO 247.A O no hydrogen 3.099 N/A TYR 251.A OH LEU 240.A O no hydrogen 2.643 N/A ALA 252.A N PRO 248.A O no hydrogen 2.836 N/A ILE 253.A N VAL 250.A O no hydrogen 2.966 N/A MET 254.A N VAL 250.A O no hydrogen 3.172 N/A ARG 255.A N TYR 251.A O no hydrogen 2.986 N/A GLY 256.A N ALA 252.A O no hydrogen 3.157 N/A CYS 257.A N ILE 253.A O no hydrogen 3.350 N/A CYS 257.A N MET 254.A O no hydrogen 2.866 N/A CYS 257.A SG VAL 204.A O no hydrogen 3.466 N/A CYS 257.A SG ILE 253.A O no hydrogen 3.503 N/A TRP 258.A N ARG 255.A O no hydrogen 3.074 N/A GLN 259.A NE2 ARG 255.A O no hydrogen 3.647 N/A ARG 260.A NH1 THR 235.A O no hydrogen 2.876 N/A GLN 264.A N GLU 261.A O no hydrogen 2.724 N/A ARG 265.A N PRO 262.A O no hydrogen 3.104 N/A ARG 265.A NE GLN 259.A O no hydrogen 2.741 N/A ARG 265.A NH1 GLU 191.A OE2 no hydrogen 2.833 N/A ARG 265.A NH1 GLU 201.A O no hydrogen 2.799 N/A ARG 265.A NH2 GLU 191.A OE1 no hydrogen 2.744 N/A ARG 265.A NH2 GLU 191.A OE2 no hydrogen 3.258 N/A ARG 265.A NH2 GLN 259.A O no hydrogen 3.531 N/A ARG 265.A NH2 ARG 260.A O no hydrogen 3.301 N/A SER 267.A OG ASP 270.A OD2 no hydrogen 2.598 N/A LYS 269.A NZ LYS 269.A O no hydrogen 3.271 N/A ASP 270.A N SER 267.A OG no hydrogen 3.107 N/A VAL 271.A N SER 267.A O no hydrogen 3.117 N/A HIS 272.A N ILE 268.A O no hydrogen 2.802 N/A ALA 273.A N LYS 269.A O no hydrogen 3.074 N/A ARG 274.A N ASP 270.A O no hydrogen 2.881 N/A LEU 275.A N VAL 271.A O no hydrogen 2.927 N/A GLN 276.A N HIS 272.A O no hydrogen 2.816 N/A ALA 277.A N ALA 273.A O no hydrogen 2.990 N/A LEU 278.A N ARG 274.A O no hydrogen 3.246 N/A ALA 279.A N LEU 275.A O no hydrogen 2.926 N/A GLN 280.A N GLN 276.A O no hydrogen 2.959 N/A ALA 281.A N ALA 277.A O no hydrogen 3.099 N/A