Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4w4w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ASN 2.A OD1 no hydrogen 3.183 N/A TYR 5.A N VAL 16.A O no hydrogen 2.932 N/A TYR 5.A OH TYR 20.A O no hydrogen 2.706 N/A SER 6.A OG THR 15.A OG1 no hydrogen 2.673 N/A VAL 7.A N PHE 14.A O no hydrogen 2.942 N/A VAL 9.A N SER 12.A O no hydrogen 2.755 N/A THR 13.A OG1 GLU 8.A OE1 no hydrogen 2.663 N/A THR 13.A OG1 GLU 8.A OE2 no hydrogen 3.116 N/A PHE 14.A N VAL 7.A O no hydrogen 2.769 N/A THR 15.A N TYR 99.A OH no hydrogen 2.929 N/A THR 15.A OG1 SER 6.A OG no hydrogen 2.673 N/A VAL 16.A N TYR 5.A O no hydrogen 2.925 N/A LYS 18.A N GLN 3.A O no hydrogen 3.097 N/A LYS 18.A NZ ASN 2.A O no hydrogen 2.736 N/A ARG 19.A NE ASP 39.A OD1 no hydrogen 2.893 N/A ARG 19.A NE ASP 39.A OD2 no hydrogen 3.309 N/A ARG 19.A NH2 ASP 39.A OD1 no hydrogen 3.357 N/A ARG 19.A NH2 ASP 39.A OD2 no hydrogen 2.776 N/A TYR 20.A N LEU 17.A O no hydrogen 3.036 N/A GLN 21.A N TYR 38.A O no hydrogen 2.822 N/A GLN 21.A NE2 LYS 18.A O no hydrogen 2.771 N/A LYS 24.A N ALA 36.A O no hydrogen 3.060 N/A ILE 26.A N VAL 34.A O no hydrogen 2.909 N/A GLY 27.A N VAL 34.A O no hydrogen 3.163 N/A VAL 34.A N GLY 27.A O no hydrogen 2.934 N/A CYS 35.A N ILE 48.A O no hydrogen 2.831 N/A ALA 36.A N LYS 24.A O no hydrogen 2.807 N/A ALA 37.A N VAL 46.A O no hydrogen 2.821 N/A TYR 38.A N GLN 21.A O no hydrogen 2.836 N/A TYR 38.A OH ASP 43.A OD1 no hydrogen 2.736 N/A ASP 39.A N ARG 44.A O no hydrogen 2.782 N/A ALA 40.A N ARG 19.A O no hydrogen 2.808 N/A VAL 41.A N ASP 39.A OD1 no hydrogen 2.957 N/A LEU 42.A N ASP 39.A OD1 no hydrogen 3.395 N/A ARG 44.A N ASP 39.A O no hydrogen 3.256 N/A VAL 46.A N ALA 37.A O no hydrogen 2.812 N/A ALA 47.A N MET 102.A O no hydrogen 2.845 N/A ILE 48.A N CYS 35.A O no hydrogen 2.771 N/A LYS 49.A N LEU 100.A O no hydrogen 2.865 N/A LYS 50.A N ILE 33.A O no hydrogen 3.031 N/A LYS 50.A NZ THR 13.A O no hydrogen 2.720 N/A LEU 51.A N VAL 98.A O no hydrogen 2.759 N/A ARG 53.A N ASP 97.A OD1 no hydrogen 3.335 N/A GLN 56.A N ARG 53.A O no hydrogen 2.964 N/A GLN 56.A NE2 SER 52.A O no hydrogen 3.042 N/A GLN 56.A NE2 ARG 53.A O no hydrogen 3.079 N/A ASN 57.A ND2 HIS 60.A ND1 no hydrogen 3.311 N/A GLN 58.A NE2 HIS 334.A O no hydrogen 2.763 N/A THR 59.A OG1 SER 171.A OG no hydrogen 3.323 N/A HIS 60.A N ASN 57.A OD1 no hydrogen 3.019 N/A ALA 61.A N ASN 57.A O no hydrogen 2.965 N/A LYS 62.A N GLN 58.A O no hydrogen 2.945 N/A LYS 62.A NZ ARG 332.A O no hydrogen 3.419 N/A ARG 63.A N THR 59.A O no hydrogen 3.327 N/A ARG 63.A NH1 GLU 67.A OE2 no hydrogen 3.160 N/A ARG 63.A NH1 ASP 163.A OD2 no hydrogen 2.998 N/A ALA 64.A N HIS 60.A O no hydrogen 2.914 N/A TYR 65.A N ALA 61.A O no hydrogen 2.978 N/A ARG 66.A N LYS 62.A O no hydrogen 2.820 N/A ARG 66.A NH2 PHE 164.A O no hydrogen 2.756 N/A GLU 67.A N ARG 63.A O no hydrogen 2.913 N/A LEU 68.A N ALA 64.A O no hydrogen 2.952 N/A VAL 69.A N TYR 65.A O no hydrogen 2.956 N/A LEU 70.A N ARG 66.A O no hydrogen 2.815 N/A MET 71.A N GLU 67.A O no hydrogen 3.207 N/A LYS 72.A N VAL 69.A O no hydrogen 3.156 N/A LYS 72.A NZ GLU 346.A OE1 no hydrogen 2.818 N/A CYS 73.A N LEU 70.A O no hydrogen 3.000 N/A CYS 73.A SG VAL 69.A O no hydrogen 4.036 N/A ASN 75.A N HIS 135.A NE2 no hydrogen 3.233 N/A HIS 76.A NE2 GLU 321.A O no hydrogen 3.007 N/A LYS 77.A NZ GLU 321.A OE1 no hydrogen 3.482 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.899 N/A ASN 78.A ND2 GLN 128.A OE1 no hydrogen 3.222 N/A ASN 78.A ND2 LEU 159.A O no hydrogen 2.990 N/A ILE 79.A N HIS 76.A O no hydrogen 2.980 N/A ILE 80.A N ILE 161.A O no hydrogen 2.904 N/A LEU 83.A N VAL 101.A O no hydrogen 2.672 N/A ASN 84.A N VAL 101.A O no hydrogen 3.314 N/A ASN 84.A ND2 TYR 20.A OH no hydrogen 3.013 N/A VAL 85.A N ASN 84.A OD1 no hydrogen 2.983 N/A PHE 86.A N TYR 99.A O no hydrogen 2.929 N/A THR 87.A OG1 ASP 97.A O no hydrogen 2.734 N/A GLN 89.A N THR 87.A OG1 no hydrogen 3.330 N/A THR 91.A OG1 GLU 94.A OE2 no hydrogen 2.784 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.156 N/A PHE 95.A N THR 91.A O no hydrogen 2.874 N/A PHE 95.A N LEU 92.A O no hydrogen 3.191 N/A GLN 96.A N GLN 89.A OE1 no hydrogen 2.928 N/A ASP 97.A N GLN 89.A OE1 no hydrogen 2.915 N/A VAL 98.A N LEU 51.A O no hydrogen 3.110 N/A TYR 99.A N PHE 86.A O no hydrogen 2.820 N/A LEU 100.A N LYS 49.A O no hydrogen 2.983 N/A VAL 101.A N ASN 84.A O no hydrogen 2.892 N/A MET 102.A N ALA 47.A O no hydrogen 2.984 N/A ASP 106.A N VAL 153.A O no hydrogen 2.927 N/A ALA 107.A N VAL 153.A O no hydrogen 3.177 N/A ASN 108.A ND2 SER 149.A O no hydrogen 2.821 N/A LEU 109.A N ILE 151.A O no hydrogen 2.895 N/A CYS 110.A SG ASN 108.A OD1 no hydrogen 3.183 N/A GLN 111.A N ASN 108.A O no hydrogen 3.117 N/A ILE 113.A N LEU 109.A O no hydrogen 2.864 N/A GLN 114.A NE2 CYS 110.A O no hydrogen 3.152 N/A MET 115.A N VAL 112.A O no hydrogen 3.034 N/A HIS 119.A ND1 TYR 312.A OH no hydrogen 2.847 N/A HIS 119.A NE2 PRO 273.A O no hydrogen 2.978 N/A ARG 121.A N ASP 118.A OD1 no hydrogen 2.733 N/A MET 122.A N ASP 118.A O no hydrogen 3.057 N/A SER 123.A N HIS 119.A O no hydrogen 2.902 N/A SER 123.A OG HIS 119.A O no hydrogen 2.823 N/A SER 123.A OG GLU 120.A O no hydrogen 3.251 N/A TYR 124.A N GLU 120.A O no hydrogen 3.150 N/A LEU 125.A N ARG 121.A O no hydrogen 2.928 N/A LEU 126.A N MET 122.A O no hydrogen 2.983 N/A TYR 127.A N SER 123.A O no hydrogen 2.863 N/A GLN 128.A N TYR 124.A O no hydrogen 3.146 N/A GLN 128.A NE2 TYR 124.A O no hydrogen 3.159 N/A GLN 128.A NE2 CYS 157.A O no hydrogen 2.798 N/A MET 129.A N LEU 125.A O no hydrogen 2.993 N/A LEU 130.A N LEU 126.A O no hydrogen 2.942 N/A CYS 131.A N TYR 127.A O no hydrogen 2.895 N/A CYS 131.A SG TYR 127.A O no hydrogen 3.342 N/A CYS 131.A SG GLU 321.A O no hydrogen 3.941 N/A GLY 132.A N GLN 128.A O no hydrogen 3.025 N/A ILE 133.A N MET 129.A O no hydrogen 2.909 N/A LYS 134.A N LEU 130.A O no hydrogen 2.834 N/A LYS 134.A NZ VAL 322.A O no hydrogen 3.188 N/A HIS 135.A N CYS 131.A O no hydrogen 2.978 N/A LEU 136.A N GLY 132.A O no hydrogen 3.042 N/A HIS 137.A N ILE 133.A O no hydrogen 2.883 N/A HIS 137.A NE2 ASP 199.A OD2 no hydrogen 2.669 N/A SER 138.A N LYS 134.A O no hydrogen 2.924 N/A SER 138.A OG HIS 135.A O no hydrogen 2.761 N/A ALA 139.A N HIS 135.A O no hydrogen 3.128 N/A ALA 139.A N LEU 136.A O no hydrogen 3.188 N/A GLY 140.A N HIS 137.A O no hydrogen 3.196 N/A ILE 141.A N LEU 136.A O no hydrogen 2.771 N/A HIS 143.A N ASP 199.A OD2 no hydrogen 3.124 N/A HIS 143.A NE2 ASP 163.A OD1 no hydrogen 2.781 N/A ARG 144.A N ASP 199.A OD1 no hydrogen 2.764 N/A ARG 144.A NH2 ALA 167.A O no hydrogen 2.788 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.172 N/A LYS 147.A NZ ASP 145.A OD1 no hydrogen 3.429 N/A LYS 147.A NZ ASP 145.A OD2 no hydrogen 2.858 N/A LYS 147.A NZ THR 180.A O no hydrogen 2.849 N/A ASN 150.A N LYS 147.A O no hydrogen 3.102 N/A ILE 151.A N PRO 148.A O no hydrogen 3.057 N/A VAL 152.A N LYS 160.A O no hydrogen 2.888 N/A VAL 153.A N ALA 107.A O no hydrogen 2.860 N/A LYS 154.A N THR 158.A O no hydrogen 2.845 N/A LYS 154.A NZ GLU 103.A OE2 no hydrogen 2.805 N/A SER 155.A N ASP 106.A OD2 no hydrogen 2.795 N/A SER 155.A OG ASP 106.A OD2 no hydrogen 3.292 N/A CYS 157.A N LYS 154.A O no hydrogen 2.916 N/A CYS 157.A SG ARG 121.A O no hydrogen 3.937 N/A THR 158.A N ASP 156.A OD1 no hydrogen 2.998 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.633 N/A LEU 159.A N GLN 128.A OE1 no hydrogen 2.996 N/A LYS 160.A N VAL 152.A O no hydrogen 2.792 N/A LYS 160.A NZ LYS 77.A O no hydrogen 2.879 N/A ILE 161.A N ASN 78.A O no hydrogen 2.874 N/A LEU 162.A N ASN 150.A O no hydrogen 2.795 N/A PHE 164.A N GLU 67.A OE2 no hydrogen 2.922 N/A GLY 165.A N ASP 163.A OD2 no hydrogen 3.276 N/A LEU 166.A N HIS 143.A O no hydrogen 2.958 N/A SER 171.A OG THR 59.A OG1 no hydrogen 3.323 N/A TYR 183.A OH GLU 209.A OE1 no hydrogen 2.572 N/A TYR 183.A OH GLU 209.A OE2 no hydrogen 3.425 N/A ARG 184.A N ARG 181.A O no hydrogen 3.106 N/A ARG 184.A NE ASP 145.A OD1 no hydrogen 2.811 N/A ARG 184.A NH1 TYR 222.A OH no hydrogen 2.951 N/A ARG 184.A NH2 ASP 145.A OD1 no hydrogen 3.480 N/A ARG 184.A NH2 ASP 145.A OD2 no hydrogen 3.088 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.816 N/A VAL 188.A N ALA 185.A O no hydrogen 2.834 N/A ILE 189.A N ALA 185.A O no hydrogen 2.926 N/A LEU 190.A N PRO 186.A O no hydrogen 2.728 N/A GLY 191.A N VAL 188.A O no hydrogen 3.248 N/A MET 192.A N GLU 187.A O no hydrogen 2.772 N/A GLU 196.A N GLU 196.A OE2 no hydrogen 2.805 N/A ASN 197.A ND2 PRO 298.A O no hydrogen 2.796 N/A ASN 197.A ND2 ARG 301.A O no hydrogen 3.221 N/A VAL 198.A N LYS 195.A O no hydrogen 3.061 N/A ASP 199.A N GLU 196.A O no hydrogen 3.298 N/A ILE 200.A N ASN 197.A O no hydrogen 3.120 N/A SER 202.A OG TYR 183.A O no hydrogen 2.671 N/A VAL 203.A N ASP 199.A O no hydrogen 3.175 N/A GLY 204.A N ILE 200.A O no hydrogen 2.922 N/A CYS 205.A N TRP 201.A O no hydrogen 2.910 N/A CYS 205.A SG TYR 182.A O no hydrogen 4.018 N/A CYS 205.A SG TRP 201.A O no hydrogen 3.384 N/A ILE 206.A N SER 202.A O no hydrogen 3.018 N/A MET 207.A N VAL 203.A O no hydrogen 2.799 N/A GLY 208.A N GLY 204.A O no hydrogen 2.806 N/A GLU 209.A N CYS 205.A O no hydrogen 3.129 N/A MET 210.A N ILE 206.A O no hydrogen 2.990 N/A VAL 211.A N MET 207.A O no hydrogen 3.306 N/A ARG 212.A N GLY 208.A O no hydrogen 2.796 N/A ARG 212.A NH1 GLN 232.A OE1 no hydrogen 2.748 N/A ARG 212.A NH2 GLN 232.A OE1 no hydrogen 3.111 N/A ARG 212.A NH2 LEU 266.A O no hydrogen 3.321 N/A HIS 213.A N GLU 209.A O no hydrogen 2.721 N/A HIS 213.A ND1 ILE 113.A O no hydrogen 2.768 N/A ARG 220.A N ASP 224.A OD2 no hydrogen 3.123 N/A ARG 220.A NE ASP 224.A OD2 no hydrogen 2.778 N/A ARG 220.A NH2 ASP 224.A OD1 no hydrogen 3.337 N/A ILE 223.A N ASP 221.A OD1 no hydrogen 3.221 N/A GLN 225.A N ASP 221.A O no hydrogen 3.136 N/A GLN 225.A NE2 ARG 181.A O no hydrogen 2.977 N/A TRP 226.A N TYR 222.A O no hydrogen 2.835 N/A ASN 227.A N ILE 223.A O no hydrogen 3.186 N/A LYS 228.A N ASP 224.A O no hydrogen 3.111 N/A VAL 229.A N GLN 225.A O no hydrogen 3.153 N/A ILE 230.A N TRP 226.A O no hydrogen 3.086 N/A GLU 231.A N ASN 227.A O no hydrogen 2.913 N/A GLN 232.A N LYS 228.A O no hydrogen 3.409 N/A GLN 232.A NE2 LEU 216.A O no hydrogen 2.935 N/A GLN 232.A NE2 LYS 228.A O no hydrogen 2.949 N/A LEU 233.A N VAL 229.A O no hydrogen 2.863 N/A GLY 234.A N ILE 230.A O no hydrogen 2.750 N/A THR 235.A N TYR 258.A O no hydrogen 2.890 N/A THR 235.A OG1 TYR 258.A O no hydrogen 3.462 N/A PHE 240.A N CYS 237.A O no hydrogen 3.053 N/A LYS 242.A N PRO 238.A O no hydrogen 3.385 N/A LYS 243.A N PHE 240.A O no hydrogen 3.202 N/A LYS 243.A NZ ASP 297.A OD1 no hydrogen 3.385 N/A LEU 244.A N MET 241.A O no hydrogen 2.962 N/A ARG 249.A N GLN 245.A O no hydrogen 2.896 N/A ASN 250.A N PRO 246.A O no hydrogen 3.154 N/A TYR 251.A N THR 247.A O no hydrogen 3.230 N/A VAL 252.A N VAL 248.A O no hydrogen 2.899 N/A GLU 253.A N ARG 249.A O no hydrogen 2.962 N/A ASN 254.A N ASN 250.A O no hydrogen 3.007 N/A ARG 255.A N VAL 252.A O no hydrogen 3.385 N/A ARG 255.A NE ASN 227.A OD1 no hydrogen 2.881 N/A ARG 255.A NH2 ASN 227.A OD1 no hydrogen 2.777 N/A TYR 258.A N THR 235.A OG1 no hydrogen 2.867 N/A LEU 261.A N GLN 232.A O no hydrogen 2.902 N/A LEU 266.A N THR 262.A O no hydrogen 2.855 N/A PHE 267.A N PHE 263.A O no hydrogen 2.758 N/A LEU 271.A N PRO 268.A O no hydrogen 3.194 N/A PHE 272.A N ASP 269.A O no hydrogen 3.004 N/A SER 276.A N ASP 275.A OD1 no hydrogen 2.800 N/A ASN 279.A N SER 276.A OG no hydrogen 2.993 N/A ASN 279.A ND2 ASP 275.A OD1 no hydrogen 2.826 N/A LYS 280.A N SER 276.A O no hydrogen 2.891 N/A LEU 281.A N GLU 277.A O no hydrogen 3.005 N/A LYS 282.A N HIS 278.A O no hydrogen 3.022 N/A LYS 282.A NZ GLN 285.A OE1 no hydrogen 2.874 N/A ALA 283.A N ASN 279.A O no hydrogen 2.910 N/A SER 284.A N LYS 280.A O no hydrogen 3.262 N/A GLN 285.A N LEU 281.A O no hydrogen 2.975 N/A ALA 286.A N LYS 282.A O no hydrogen 2.816 N/A ARG 287.A N ALA 283.A O no hydrogen 3.069 N/A ARG 287.A NE PHE 267.A O no hydrogen 2.953 N/A ARG 287.A NH2 PHE 267.A O no hydrogen 3.008 N/A ARG 287.A NH2 ASP 269.A OD1 no hydrogen 2.801 N/A ASP 288.A N SER 284.A O no hydrogen 3.048 N/A LEU 289.A N GLN 285.A O no hydrogen 3.035 N/A LEU 290.A N ALA 286.A O no hydrogen 3.046 N/A SER 291.A N ARG 287.A O no hydrogen 2.911 N/A SER 291.A OG ASP 288.A O no hydrogen 2.703 N/A LYS 292.A N ASP 288.A O no hydrogen 3.198 N/A LYS 292.A N LEU 289.A O no hydrogen 2.915 N/A LYS 292.A NZ ASP 288.A OD1 no hydrogen 2.923 N/A LYS 292.A NZ ASP 288.A OD2 no hydrogen 3.231 N/A MET 293.A N LEU 289.A O no hydrogen 3.005 N/A MET 293.A N LEU 290.A O no hydrogen 3.310 N/A LEU 294.A N LEU 290.A O no hydrogen 2.909 N/A ALA 299.A N ASP 297.A OD1 no hydrogen 3.060 N/A LYS 300.A N ASP 297.A O no hydrogen 3.014 N/A LYS 300.A NZ GLU 239.A OE1 no hydrogen 3.224 N/A LYS 300.A NZ GLU 239.A OE2 no hydrogen 3.090 N/A ARG 301.A N PRO 298.A O no hydrogen 3.388 N/A ARG 301.A NE VAL 295.A O no hydrogen 2.819 N/A ARG 301.A NH1 GLU 187.A OE1 no hydrogen 3.354 N/A ARG 301.A NH1 GLU 187.A OE2 no hydrogen 2.771 N/A ARG 301.A NH1 ASN 197.A O no hydrogen 3.052 N/A ARG 301.A NH2 GLU 187.A OE1 no hydrogen 2.881 N/A ARG 301.A NH2 VAL 295.A O no hydrogen 3.157 N/A ARG 301.A NH2 ILE 296.A O no hydrogen 2.892 N/A ILE 302.A N LYS 292.A O no hydrogen 3.061 N/A ASP 306.A N SER 303.A OG no hydrogen 3.087 N/A ALA 307.A N SER 303.A O no hydrogen 2.880 N/A LEU 308.A N VAL 304.A O no hydrogen 2.946 N/A GLN 309.A N ASP 305.A O no hydrogen 3.197 N/A HIS 310.A N ALA 307.A O no hydrogen 3.152 N/A HIS 310.A NE2 ASP 288.A OD2 no hydrogen 2.780 N/A TYR 312.A N HIS 310.A ND1 no hydrogen 2.944 N/A TYR 312.A OH HIS 119.A ND1 no hydrogen 2.847 N/A ILE 313.A N HIS 310.A O no hydrogen 2.848 N/A ASN 314.A N HIS 310.A O no hydrogen 2.798 N/A ASN 314.A ND2 GLN 309.A O no hydrogen 3.018 N/A TRP 316.A N ILE 313.A O no hydrogen 3.263 N/A TRP 316.A NE1 SER 123.A OG no hydrogen 2.791 N/A TYR 317.A N ASN 314.A O no hydrogen 3.079 N/A GLU 321.A N ASP 318.A O no hydrogen 3.377 N/A VAL 322.A N ASP 318.A O no hydrogen 3.246 N/A GLU 323.A N PRO 319.A O no hydrogen 3.319 N/A HIS 334.A N GLN 58.A OE1 no hydrogen 2.871 N/A HIS 334.A ND1 GLU 338.A OE1 no hydrogen 2.803 N/A THR 335.A N GLU 338.A OE1 no hydrogen 3.234 N/A GLU 338.A N THR 335.A OG1 no hydrogen 3.351 N/A TRP 339.A N THR 335.A O no hydrogen 3.107 N/A TRP 339.A NE1 GLN 58.A OE1 no hydrogen 2.791 N/A LYS 340.A N ILE 336.A O no hydrogen 2.888 N/A LYS 340.A NZ LEU 92.A O no hydrogen 3.206 N/A LYS 340.A NZ GLU 93.A O no hydrogen 3.199 N/A GLU 341.A N GLU 337.A O no hydrogen 3.261 N/A LEU 342.A N GLU 338.A O no hydrogen 2.966 N/A ILE 343.A N TRP 339.A O no hydrogen 2.867 N/A TYR 344.A N LYS 340.A O no hydrogen 2.879 N/A LYS 345.A N GLU 341.A O no hydrogen 2.968 N/A GLU 346.A N LEU 342.A O no hydrogen 3.279 N/A VAL 347.A N ILE 343.A O no hydrogen 3.020 N/A MET 348.A N TYR 344.A O no hydrogen 2.845 N/A