Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N ASP 4.A OD2 no hydrogen 2.951 N/A LYS 8.A N ASP 4.A O no hydrogen 3.053 N/A VAL 9.A N TYR 5.A O no hydrogen 2.941 N/A LYS 10.A N ASP 6.A O no hydrogen 3.015 N/A LEU 11.A N PHE 7.A O no hydrogen 3.146 N/A SER 12.A N LYS 8.A O no hydrogen 2.960 N/A SER 13.A N VAL 9.A O no hydrogen 2.899 N/A GLU 14.A N LYS 10.A O no hydrogen 3.068 N/A ARG 15.A N LEU 11.A O no hydrogen 2.797 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 2.812 N/A ASP 20.A N ARG 17.A O no hydrogen 3.212 N/A LEU 21.A N ARG 17.A O no hydrogen 3.338 N/A PHE 22.A N VAL 18.A O no hydrogen 3.016 N/A GLU 23.A N LYS 41.A O no hydrogen 2.719 N/A CYS 27.A N TYR 24.A O no hydrogen 3.021 N/A CYS 27.A SG GLU 25.A O no hydrogen 3.655 N/A VAL 29.A N VAL 37.A O no hydrogen 2.823 N/A GLY 30.A N VAL 37.A O no hydrogen 3.137 N/A GLY 32.A N GLY 35.A O no hydrogen 3.128 N/A HIS 36.A N GLN 55.A O no hydrogen 3.031 N/A VAL 37.A N GLY 30.A O no hydrogen 2.905 N/A TYR 38.A N LEU 53.A O no hydrogen 2.755 N/A LYS 39.A N CYS 27.A O no hydrogen 2.977 N/A ALA 40.A N TYR 51.A O no hydrogen 2.638 N/A LYS 41.A N GLU 23.A O no hydrogen 3.083 N/A LYS 41.A NZ ASP 48.A O no hydrogen 2.750 N/A LYS 41.A NZ ASP 48.A OD1 no hydrogen 3.241 N/A LYS 41.A NZ ASP 50.A OD1 no hydrogen 2.879 N/A ARG 42.A NH1 ASP 47.A OD2 no hydrogen 2.888 N/A LYS 43.A N LEU 21.A O no hydrogen 2.823 N/A LYS 43.A NZ GLU 19.A O no hydrogen 2.655 N/A LYS 46.A N ASP 44.A O no hydrogen 2.793 N/A LYS 49.A N ASP 47.A OD1 no hydrogen 2.713 N/A LYS 49.A NZ TYR 51.A OH no hydrogen 3.385 N/A TYR 51.A N ALA 40.A O no hydrogen 2.785 N/A TYR 51.A OH ASP 47.A OD2 no hydrogen 2.455 N/A ALA 52.A N PHE 99.A O no hydrogen 2.779 N/A LEU 53.A N TYR 38.A O no hydrogen 2.898 N/A LYS 54.A N LEU 97.A O no hydrogen 2.826 N/A LYS 54.A NZ GLU 68.A OE1 no hydrogen 2.626 N/A LYS 54.A NZ GLU 68.A OE2 no hydrogen 3.278 N/A GLN 55.A N HIS 36.A O no hydrogen 2.843 N/A ILE 56.A N VAL 95.A O no hydrogen 2.948 N/A GLU 57.A N TYR 34.A O no hydrogen 2.935 N/A GLY 60.A N ARG 93.A O no hydrogen 2.750 N/A ALA 65.A N SER 62.A OG no hydrogen 3.110 N/A CYS 66.A N SER 62.A O no hydrogen 2.840 N/A ARG 67.A N MET 63.A O no hydrogen 2.939 N/A GLU 68.A N SER 64.A O no hydrogen 3.046 N/A ILE 69.A N ALA 65.A O no hydrogen 2.974 N/A ALA 70.A N CYS 66.A O no hydrogen 2.882 N/A LEU 71.A N ARG 67.A O no hydrogen 3.058 N/A LEU 72.A N GLU 68.A O no hydrogen 2.993 N/A ARG 73.A N ILE 69.A O no hydrogen 2.943 N/A ARG 73.A NH2 ARG 73.A O no hydrogen 3.141 N/A GLU 74.A N LEU 71.A O no hydrogen 3.059 N/A LEU 75.A N LEU 71.A O no hydrogen 3.046 N/A LYS 76.A N TYR 138.A OH no hydrogen 3.003 N/A HIS 77.A NE2 ASP 134.A OD1 no hydrogen 3.013 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 3.007 N/A ASN 79.A ND2 GLN 131.A OE1 no hydrogen 2.989 N/A ASN 79.A ND2 VAL 166.A O no hydrogen 2.953 N/A VAL 80.A N HIS 77.A O no hydrogen 3.141 N/A ILE 81.A N ILE 168.A O no hydrogen 2.999 N/A GLN 84.A N LEU 98.A O no hydrogen 2.847 N/A LYS 85.A NZ GLU 16.A OE1 no hydrogen 2.690 N/A LYS 85.A NZ GLU 16.A OE2 no hydrogen 3.416 N/A PHE 87.A N TRP 96.A O no hydrogen 2.853 N/A SER 89.A N LYS 94.A O no hydrogen 2.986 N/A SER 89.A OG ASP 92.A OD1 no hydrogen 2.712 N/A LYS 94.A N ASP 92.A OD1 no hydrogen 3.166 N/A LYS 94.A NZ GLY 58.A O no hydrogen 2.836 N/A TRP 96.A N PHE 87.A O no hydrogen 2.937 N/A LEU 97.A N LYS 54.A O no hydrogen 2.808 N/A LEU 98.A N LYS 85.A O no hydrogen 2.843 N/A PHE 99.A N ALA 52.A O no hydrogen 2.799 N/A TYR 101.A N ASP 50.A O no hydrogen 3.088 N/A HIS 104.A N VAL 156.A O no hydrogen 2.963 N/A LEU 106.A N ILE 154.A O no hydrogen 2.887 N/A HIS 108.A N ASP 105.A OD2 no hydrogen 2.999 N/A HIS 108.A ND1 ASP 105.A OD1 no hydrogen 2.994 N/A HIS 108.A ND1 ASP 105.A OD2 no hydrogen 3.171 N/A ILE 109.A N ASP 105.A O no hydrogen 2.996 N/A ILE 110.A N LEU 106.A O no hydrogen 2.839 N/A LYS 111.A N TRP 107.A O no hydrogen 3.027 N/A PHE 112.A N HIS 108.A O no hydrogen 2.958 N/A HIS 113.A N ILE 109.A O no hydrogen 3.313 N/A HIS 113.A ND1 VAL 118.A O no hydrogen 2.827 N/A HIS 113.A NE2 TYR 328.A OH no hydrogen 2.591 N/A ARG 114.A N ILE 110.A O no hydrogen 2.764 N/A ALA 115.A N LYS 111.A O no hydrogen 2.848 N/A SER 116.A N PHE 112.A O no hydrogen 3.089 N/A SER 116.A OG PHE 112.A O no hydrogen 3.413 N/A LYS 117.A NZ GLU 211.A OE1 no hydrogen 3.476 N/A ARG 122.A NH1 LEU 120.A O no hydrogen 3.154 N/A ARG 122.A NH1 LEU 208.A O no hydrogen 2.967 N/A ARG 122.A NH2 LEU 208.A O no hydrogen 2.586 N/A VAL 125.A N PRO 121.A O no hydrogen 2.957 N/A LYS 126.A N ARG 122.A O no hydrogen 3.147 N/A LYS 126.A NZ TYR 309.A O no hydrogen 2.724 N/A LYS 126.A NZ PRO 314.A O no hydrogen 2.730 N/A SER 127.A N GLY 123.A O no hydrogen 2.924 N/A SER 127.A OG GLY 123.A O no hydrogen 2.991 N/A SER 127.A OG THR 317.A OG1 no hydrogen 3.308 N/A LEU 128.A N MET 124.A O no hydrogen 2.859 N/A LEU 129.A N VAL 125.A O no hydrogen 3.000 N/A TYR 130.A N LYS 126.A O no hydrogen 2.906 N/A GLN 131.A N SER 127.A O no hydrogen 3.184 N/A GLN 131.A NE2 THR 317.A O no hydrogen 3.206 N/A GLN 131.A NE2 SER 318.A O no hydrogen 2.871 N/A ILE 132.A N LEU 128.A O no hydrogen 2.962 N/A LEU 133.A N LEU 129.A O no hydrogen 2.975 N/A ASP 134.A N TYR 130.A O no hydrogen 2.875 N/A GLY 135.A N GLN 131.A O no hydrogen 2.967 N/A ILE 136.A N ILE 132.A O no hydrogen 2.955 N/A HIS 137.A N LEU 133.A O no hydrogen 2.796 N/A TYR 138.A N ASP 134.A O no hydrogen 3.141 N/A LEU 139.A N GLY 135.A O no hydrogen 3.045 N/A HIS 140.A N ILE 136.A O no hydrogen 2.734 N/A HIS 140.A NE2 ASP 196.A OD2 no hydrogen 2.824 N/A ALA 141.A N HIS 137.A O no hydrogen 2.807 N/A ASN 142.A N TYR 138.A O no hydrogen 3.197 N/A ASN 142.A N LEU 139.A O no hydrogen 3.004 N/A ASN 142.A ND2 TYR 138.A O no hydrogen 2.967 N/A TRP 143.A N HIS 140.A O no hydrogen 2.927 N/A VAL 144.A N LEU 139.A O no hydrogen 2.839 N/A HIS 146.A N ASP 196.A OD2 no hydrogen 2.869 N/A HIS 146.A NE2 ALA 169.A O no hydrogen 2.707 N/A ARG 147.A N ASP 196.A OD1 no hydrogen 2.985 N/A ASP 148.A N HIS 146.A ND1 no hydrogen 3.119 N/A LYS 150.A NZ ASP 148.A OD2 no hydrogen 2.815 N/A LYS 150.A NZ GLY 172.A O no hydrogen 3.347 N/A ASN 153.A N LYS 150.A O no hydrogen 2.966 N/A ASN 153.A ND2 ASP 148.A O no hydrogen 2.721 N/A ILE 154.A N PRO 151.A O no hydrogen 3.113 N/A LEU 155.A N LYS 167.A O no hydrogen 2.915 N/A VAL 156.A N HIS 104.A O no hydrogen 2.888 N/A MET 157.A N ARG 165.A O no hydrogen 2.948 N/A ARG 163.A N GLY 160.A O no hydrogen 3.316 N/A ARG 163.A NE GLU 159.A OE1 no hydrogen 3.097 N/A ARG 163.A NE GLU 159.A OE2 no hydrogen 3.087 N/A ARG 163.A NH1 ASP 319.A OD2 no hydrogen 2.793 N/A ARG 163.A NH1 CYS 324.A O no hydrogen 3.124 N/A ARG 163.A NH2 GLU 159.A OE2 no hydrogen 3.148 N/A ARG 163.A NH2 CYS 324.A O no hydrogen 2.552 N/A GLY 164.A N MET 157.A O no hydrogen 2.940 N/A ARG 165.A N GLU 162.A O no hydrogen 2.904 N/A ARG 165.A NH1 GLU 162.A OE1 no hydrogen 3.324 N/A VAL 166.A N GLN 131.A OE1 no hydrogen 2.837 N/A LYS 167.A N LEU 155.A O no hydrogen 2.810 N/A LYS 167.A NZ PRO 78.A O no hydrogen 2.704 N/A LYS 167.A NZ GLU 162.A OE1 no hydrogen 2.769 N/A ILE 168.A N ASN 79.A O no hydrogen 2.866 N/A ALA 169.A N ASN 153.A O no hydrogen 2.941 N/A MET 171.A N ASN 153.A OD1 no hydrogen 2.776 N/A PHE 173.A N THR 33.A OG1 no hydrogen 3.283 N/A TRP 178.A NE1 CYS 216.A O no hydrogen 2.951 N/A TYR 179.A OH GLU 206.A OE1 no hydrogen 2.629 N/A ARG 180.A N PHE 177.A O no hydrogen 3.167 N/A ARG 180.A NH1 ARG 147.A O no hydrogen 2.612 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.750 N/A LEU 184.A N ALA 181.A O no hydrogen 3.103 N/A LEU 185.A N ALA 181.A O no hydrogen 3.471 N/A LEU 186.A N PRO 182.A O no hydrogen 2.960 N/A LEU 186.A N GLU 183.A O no hydrogen 3.201 N/A GLY 187.A N LEU 184.A O no hydrogen 3.084 N/A ALA 188.A N GLU 183.A O no hydrogen 2.857 N/A LYS 193.A NZ HIS 140.A O no hydrogen 3.076 N/A ILE 195.A N THR 192.A OG1 no hydrogen 3.126 N/A ILE 197.A N LYS 193.A O no hydrogen 3.080 N/A TRP 198.A N ALA 194.A O no hydrogen 3.026 N/A ALA 199.A N ILE 195.A O no hydrogen 3.320 N/A ILE 200.A N ASP 196.A O no hydrogen 3.068 N/A GLY 201.A N ILE 197.A O no hydrogen 2.874 N/A CYS 202.A N TRP 198.A O no hydrogen 2.895 N/A CYS 202.A SG TRP 178.A O no hydrogen 3.880 N/A CYS 202.A SG TRP 198.A O no hydrogen 3.362 N/A ILE 203.A N ALA 199.A O no hydrogen 2.993 N/A PHE 204.A N ILE 200.A O no hydrogen 2.844 N/A ALA 205.A N GLY 201.A O no hydrogen 3.032 N/A GLU 206.A N CYS 202.A O no hydrogen 3.055 N/A LEU 207.A N ILE 203.A O no hydrogen 2.821 N/A LEU 208.A N PHE 204.A O no hydrogen 2.999 N/A THR 209.A N ALA 205.A O no hydrogen 2.979 N/A THR 209.A OG1 ALA 205.A O no hydrogen 3.246 N/A SER 210.A N GLU 206.A O no hydrogen 2.716 N/A GLU 211.A N THR 209.A OG1 no hydrogen 3.015 N/A HIS 215.A N PRO 212.A O no hydrogen 3.155 N/A CYS 216.A SG ARG 217.A O no hydrogen 3.575 N/A ARG 217.A NE ASP 225.A OD2 no hydrogen 3.112 N/A TYR 222.A OH ASP 257.A OD2 no hydrogen 2.773 N/A HIS 223.A ND1 GLU 219.A OE1 no hydrogen 2.828 N/A HIS 224.A ND1 ASP 225.A OD1 no hydrogen 2.799 N/A GLN 226.A NE2 PHE 214.A O no hydrogen 2.797 N/A GLN 226.A NE2 GLN 226.A O no hydrogen 3.312 N/A LEU 227.A N HIS 223.A O no hydrogen 3.205 N/A ASP 228.A N HIS 224.A O no hydrogen 2.877 N/A ARG 229.A N ASP 225.A O no hydrogen 2.943 N/A ARG 229.A NE ILE 213.A O no hydrogen 3.024 N/A ARG 229.A NH2 ILE 213.A O no hydrogen 2.797 N/A ILE 230.A N GLN 226.A O no hydrogen 3.058 N/A PHE 231.A N LEU 227.A O no hydrogen 2.915 N/A ASN 232.A N ASP 228.A O no hydrogen 2.871 N/A VAL 233.A N ARG 229.A O no hydrogen 3.116 N/A VAL 233.A N ILE 230.A O no hydrogen 3.246 N/A MET 234.A N ILE 230.A O no hydrogen 2.765 N/A GLY 235.A N PHE 231.A O no hydrogen 2.757 N/A ALA 238.A N ASP 241.A OD2 no hydrogen 3.128 N/A ASP 241.A N ALA 238.A O no hydrogen 2.981 N/A TRP 242.A N ALA 238.A O no hydrogen 3.356 N/A ILE 245.A N TRP 242.A O no hydrogen 3.208 N/A LYS 247.A N ASP 244.A O no hydrogen 2.936 N/A MET 248.A N ILE 245.A O no hydrogen 2.988 N/A GLU 250.A N LEU 186.A O no hydrogen 3.067 N/A HIS 251.A N MET 248.A O no hydrogen 3.006 N/A THR 253.A OG1 GLU 250.A OE1 no hydrogen 2.805 N/A LEU 254.A N GLU 250.A O no hydrogen 2.952 N/A MET 255.A N HIS 251.A O no hydrogen 2.974 N/A LYS 256.A N SER 252.A O no hydrogen 2.937 N/A ASP 257.A N THR 253.A O no hydrogen 2.894 N/A PHE 258.A N LEU 254.A O no hydrogen 2.854 N/A ARG 259.A NE ASN 261.A OD1 no hydrogen 2.989 N/A ARG 260.A NH1 PRO 237.A O no hydrogen 3.181 N/A ARG 260.A NH2 PRO 237.A O no hydrogen 3.192 N/A THR 262.A N ARG 259.A O no hydrogen 3.082 N/A THR 262.A OG1 ARG 259.A O no hydrogen 3.120 N/A TYR 263.A N ARG 260.A O no hydrogen 2.953 N/A TYR 263.A OH ASP 228.A OD1 no hydrogen 2.680 N/A THR 264.A OG1 ASN 261.A O no hydrogen 3.037 N/A CYS 266.A N TYR 263.A O no hydrogen 3.033 N/A CYS 266.A SG ASN 232.A O no hydrogen 3.281 N/A LYS 270.A N SER 267.A OG no hydrogen 3.105 N/A LYS 270.A NZ ASN 265.A O no hydrogen 3.346 N/A TYR 271.A N SER 267.A O no hydrogen 2.979 N/A MET 272.A N LEU 268.A O no hydrogen 2.871 N/A GLU 273.A N ILE 269.A O no hydrogen 2.979 N/A LYS 274.A N LYS 270.A O no hydrogen 3.217 N/A HIS 275.A N MET 272.A O no hydrogen 3.100 N/A LYS 276.A N GLU 273.A O no hydrogen 3.022 N/A VAL 277.A N MET 272.A O no hydrogen 3.010 N/A SER 281.A N LYS 278.A O no hydrogen 3.106 N/A SER 281.A OG LYS 278.A O no hydrogen 2.709 N/A PHE 284.A N SER 281.A OG no hydrogen 2.848 N/A HIS 285.A N SER 281.A O no hydrogen 3.124 N/A LEU 286.A N LYS 282.A O no hydrogen 2.996 N/A LEU 287.A N ALA 283.A O no hydrogen 2.970 N/A GLN 288.A N PHE 284.A O no hydrogen 2.896 N/A LYS 289.A N HIS 285.A O no hydrogen 3.303 N/A LEU 290.A N LEU 286.A O no hydrogen 3.130 N/A LEU 290.A N LEU 287.A O no hydrogen 3.166 N/A LEU 291.A N LEU 287.A O no hydrogen 2.891 N/A THR 292.A OG1 GLN 288.A O no hydrogen 3.012 N/A THR 292.A OG1 LYS 289.A O no hydrogen 3.465 N/A ILE 296.A N ASP 294.A OD1 no hydrogen 3.198 N/A LYS 297.A N ASP 294.A O no hydrogen 2.905 N/A ARG 298.A N PRO 295.A O no hydrogen 3.236 N/A ARG 298.A NE THR 292.A O no hydrogen 2.698 N/A ARG 298.A NH1 GLU 183.A OE2 no hydrogen 2.793 N/A ARG 298.A NH1 ALA 194.A O no hydrogen 2.937 N/A ARG 298.A NH2 GLU 183.A OE1 no hydrogen 2.846 N/A ARG 298.A NH2 GLU 183.A OE2 no hydrogen 3.527 N/A ARG 298.A NH2 THR 292.A O no hydrogen 3.312 N/A ARG 298.A NH2 MET 293.A O no hydrogen 2.910 N/A ILE 299.A N LYS 289.A O no hydrogen 3.314 N/A THR 300.A N GLN 303.A OE1 no hydrogen 2.997 N/A THR 300.A OG1 GLN 303.A OE1 no hydrogen 3.425 N/A SER 301.A OG GLU 302.A OE2 no hydrogen 3.088 N/A GLN 303.A N THR 300.A OG1 no hydrogen 3.224 N/A ALA 304.A N THR 300.A O no hydrogen 2.979 N/A MET 305.A N SER 301.A O no hydrogen 2.956 N/A GLN 306.A N GLU 302.A O no hydrogen 3.108 N/A ASP 307.A N ALA 304.A O no hydrogen 3.021 N/A TYR 309.A N ASP 307.A OD2 no hydrogen 2.934 N/A PHE 310.A N ASP 307.A O no hydrogen 3.075 N/A LEU 311.A N PRO 308.A O no hydrogen 3.027 N/A GLU 312.A N PRO 308.A O no hydrogen 3.095 N/A THR 317.A N SER 127.A OG no hydrogen 2.734 N/A THR 317.A OG1 SER 127.A OG no hydrogen 3.308 N/A THR 317.A OG1 ASP 319.A O no hydrogen 2.575 N/A VAL 320.A N GLY 164.A O no hydrogen 2.906 N/A PHE 321.A N ASP 319.A OD1 no hydrogen 2.796 N/A ALA 322.A N ASP 319.A O no hydrogen 2.892 N/A GLY 323.A N ASP 319.A OD2 no hydrogen 3.394 N/A CYS 324.A N PHE 321.A O no hydrogen 2.939 N/A CYS 324.A SG ALA 322.A O no hydrogen 3.570 N/A TYR 328.A OH HIS 113.A NE2 no hydrogen 2.591 N/A ARG 331.A N GLU 103.A OE2 no hydrogen 3.152 N/A ARG 331.A NE ASP 105.A OD1 no hydrogen 3.347 N/A ARG 331.A NH1 TYR 101.A OH no hydrogen 2.999 N/A ARG 331.A NH1 ALA 102.A O no hydrogen 2.900 N/A ARG 331.A NH2 ALA 102.A O no hydrogen 3.287 N/A ARG 331.A NH2 ASP 105.A OD1 no hydrogen 3.021 N/A LEU 334.A N LYS 28.A O no hydrogen 2.945 N/A