Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ngu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 7.A O no hydrogen 2.857 N/A GLN 7.A N VAL 4.A O no hydrogen 2.807 N/A PHE 9.A N GLU 2.A O no hydrogen 2.604 N/A ASP 10.A N TYR 92.A OH no hydrogen 3.193 N/A VAL 11.A N PHE 9.A O no hydrogen 2.951 N/A ARG 14.A NE ASP 34.A OD1 no hydrogen 2.967 N/A ARG 14.A NH2 ASP 34.A OD2 no hydrogen 3.037 N/A TYR 15.A OH ASP 78.A OD2 no hydrogen 3.045 N/A THR 16.A N TYR 33.A O no hydrogen 3.066 N/A THR 16.A OG1 ASN 35.A OD1 no hydrogen 2.579 N/A SER 19.A N SER 31.A O no hydrogen 3.101 N/A ILE 21.A N VAL 29.A O no hydrogen 2.904 N/A GLY 22.A N VAL 29.A O no hydrogen 3.284 N/A GLY 24.A N GLY 27.A O no hydrogen 3.249 N/A MET 28.A N LYS 45.A O no hydrogen 3.136 N/A VAL 29.A N GLY 22.A O no hydrogen 3.156 N/A CYS 30.A N ILE 43.A O no hydrogen 2.933 N/A SER 31.A N SER 19.A O no hydrogen 3.187 N/A SER 31.A OG SER 19.A O no hydrogen 3.388 N/A ALA 32.A N VAL 41.A O no hydrogen 2.715 N/A TYR 33.A N THR 16.A O no hydrogen 2.650 N/A ASP 34.A N VAL 39.A O no hydrogen 2.669 N/A ASN 35.A N ARG 14.A O no hydrogen 2.883 N/A LEU 36.A N ASP 34.A OD1 no hydrogen 3.032 N/A ASN 37.A N ASP 34.A OD1 no hydrogen 3.113 N/A VAL 39.A N ASP 34.A O no hydrogen 3.385 N/A VAL 41.A N ALA 32.A O no hydrogen 2.711 N/A ALA 42.A N GLN 95.A O no hydrogen 2.806 N/A ILE 43.A N CYS 30.A O no hydrogen 2.707 N/A LYS 44.A N ILE 93.A O no hydrogen 2.806 N/A LYS 44.A NZ GLU 61.A OE1 no hydrogen 2.915 N/A LYS 45.A N MET 28.A O no hydrogen 2.774 N/A LYS 45.A NZ VAL 8.A O no hydrogen 2.553 N/A LYS 45.A NZ ASP 90.A OD2 no hydrogen 2.811 N/A LYS 45.A NZ TYR 92.A OH no hydrogen 2.783 N/A ILE 46.A N VAL 91.A O no hydrogen 2.511 N/A GLN 52.A NE2 LEU 322.A O no hydrogen 2.566 N/A CYS 55.A N HIS 51.A O no hydrogen 2.987 N/A CYS 55.A N GLN 52.A O no hydrogen 3.004 N/A CYS 55.A SG PRO 48.A O no hydrogen 3.023 N/A CYS 55.A SG LYS 324.A O no hydrogen 4.023 N/A GLN 56.A N GLN 52.A O no hydrogen 2.912 N/A ARG 57.A N THR 53.A O no hydrogen 3.064 N/A THR 58.A N TYR 54.A O no hydrogen 3.306 N/A THR 58.A OG1 TYR 54.A O no hydrogen 2.698 N/A LEU 59.A N CYS 55.A O no hydrogen 3.099 N/A ARG 60.A N GLN 56.A O no hydrogen 2.844 N/A ARG 60.A NE GLY 158.A O no hydrogen 3.535 N/A GLU 61.A N ARG 57.A O no hydrogen 3.360 N/A LYS 63.A N LEU 59.A O no hydrogen 3.144 N/A ILE 64.A N ARG 60.A O no hydrogen 3.328 N/A LEU 65.A N GLU 61.A O no hydrogen 3.331 N/A LEU 66.A N ILE 62.A O no hydrogen 3.010 N/A ARG 67.A N ILE 64.A O no hydrogen 3.203 N/A ARG 67.A NH1 ALA 316.A O no hydrogen 2.955 N/A PHE 68.A N ILE 64.A O no hydrogen 2.781 N/A ARG 69.A N TYR 129.A OH no hydrogen 3.301 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 3.011 N/A ASN 72.A ND2 GLN 122.A OE1 no hydrogen 3.367 N/A ASN 72.A ND2 LEU 152.A O no hydrogen 3.398 N/A ILE 73.A N HIS 70.A O no hydrogen 3.419 N/A ILE 74.A N ILE 154.A O no hydrogen 3.292 N/A ASN 77.A N VAL 94.A O no hydrogen 2.569 N/A ASN 77.A ND2 ASP 96.A OD1 no hydrogen 2.871 N/A ASP 78.A N VAL 94.A O no hydrogen 3.332 N/A ILE 80.A N TYR 92.A O no hydrogen 2.993 N/A ARG 81.A NE THR 335.A OG1 no hydrogen 2.237 N/A ARG 81.A NH1 PHE 332.A O no hydrogen 3.138 N/A THR 84.A OG1 GLN 87.A OE1 no hydrogen 2.006 N/A VAL 91.A N ILE 46.A O no hydrogen 2.562 N/A TYR 92.A N ILE 80.A O no hydrogen 2.890 N/A ILE 93.A N LYS 44.A O no hydrogen 2.811 N/A VAL 94.A N ASP 78.A O no hydrogen 2.865 N/A GLN 95.A N ALA 42.A O no hydrogen 2.748 N/A GLN 95.A NE2 GLY 75.A O no hydrogen 3.593 N/A THR 100.A N LEU 147.A O no hydrogen 2.982 N/A THR 100.A OG1 ASP 101.A O no hydrogen 3.312 N/A LEU 102.A N LEU 145.A O no hydrogen 2.808 N/A LYS 104.A N ASP 101.A OD1 no hydrogen 2.902 N/A LEU 105.A N ASP 101.A O no hydrogen 3.082 N/A LEU 106.A N LEU 102.A O no hydrogen 2.921 N/A LYS 107.A N TYR 103.A O no hydrogen 3.317 N/A THR 108.A N LEU 105.A O no hydrogen 3.445 N/A THR 108.A OG1 GLN 109.A OE1 no hydrogen 3.060 N/A GLN 109.A N LEU 105.A O no hydrogen 2.811 N/A SER 112.A OG HIS 115.A ND1 no hydrogen 2.796 N/A HIS 115.A N SER 112.A OG no hydrogen 3.260 N/A HIS 115.A ND1 SER 112.A OG no hydrogen 2.796 N/A ILE 116.A N SER 112.A O no hydrogen 2.978 N/A CYS 117.A N ASN 113.A O no hydrogen 2.953 N/A CYS 117.A SG TYR 301.A O no hydrogen 3.127 N/A TYR 118.A N ASP 114.A O no hydrogen 3.050 N/A PHE 119.A N HIS 115.A O no hydrogen 2.820 N/A LEU 120.A N ILE 116.A O no hydrogen 2.882 N/A TYR 121.A N CYS 117.A O no hydrogen 2.986 N/A GLN 122.A N TYR 118.A O no hydrogen 3.166 N/A GLN 122.A NE2 TYR 118.A O no hydrogen 3.579 N/A ILE 123.A N PHE 119.A O no hydrogen 3.114 N/A ILE 123.A N LEU 120.A O no hydrogen 3.100 N/A LEU 124.A N LEU 120.A O no hydrogen 3.018 N/A ARG 125.A N TYR 121.A O no hydrogen 2.953 N/A ARG 125.A NE ASP 310.A O no hydrogen 2.928 N/A ARG 125.A NH1 GLU 71.A OE2 no hydrogen 3.266 N/A ARG 125.A NH1 ASN 72.A OD1 no hydrogen 2.788 N/A ARG 125.A NH2 GLU 71.A OE2 no hydrogen 3.279 N/A ARG 125.A NH2 ASP 310.A O no hydrogen 2.974 N/A LEU 127.A N ILE 123.A O no hydrogen 3.053 N/A LYS 128.A N LEU 124.A O no hydrogen 2.969 N/A LYS 128.A NZ GLU 311.A O no hydrogen 2.721 N/A TYR 129.A N GLY 126.A O no hydrogen 3.282 N/A ILE 130.A N GLY 126.A O no hydrogen 3.254 N/A HIS 131.A N LEU 127.A O no hydrogen 2.990 N/A HIS 131.A NE2 ASP 199.A OD2 no hydrogen 2.941 N/A SER 132.A N LYS 128.A O no hydrogen 3.039 N/A SER 132.A OG LYS 128.A O no hydrogen 3.430 N/A SER 132.A OG TYR 129.A O no hydrogen 2.996 N/A ASN 134.A N HIS 131.A O no hydrogen 2.887 N/A ASN 134.A ND2 PHE 318.A O no hydrogen 3.607 N/A VAL 135.A N ILE 130.A O no hydrogen 3.170 N/A LEU 136.A N ARG 161.A O no hydrogen 2.773 N/A HIS 137.A N ASP 199.A OD2 no hydrogen 2.861 N/A HIS 137.A NE2 CYS 155.A O no hydrogen 2.563 N/A ARG 138.A N ASP 199.A OD1 no hydrogen 3.128 N/A ARG 138.A NE LEU 159.A O no hydrogen 2.701 N/A ARG 138.A NH2 LEU 159.A O no hydrogen 3.405 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.094 N/A LYS 141.A NZ THR 179.A OG1 no hydrogen 3.418 N/A ASN 144.A N LYS 141.A O no hydrogen 2.974 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.570 N/A LEU 145.A N PRO 142.A O no hydrogen 3.218 N/A LEU 146.A N LYS 153.A O no hydrogen 2.721 N/A LEU 147.A N THR 100.A O no hydrogen 2.750 N/A ASN 148.A N ASP 151.A O no hydrogen 3.206 N/A ASN 148.A ND2 ASP 151.A OD2 no hydrogen 2.890 N/A THR 150.A N ASN 148.A OD1 no hydrogen 3.155 N/A THR 150.A OG1 ASN 148.A OD1 no hydrogen 3.108 N/A THR 150.A OG1 ASP 151.A OD2 no hydrogen 2.361 N/A LEU 152.A N GLN 122.A OE1 no hydrogen 3.313 N/A ILE 154.A N ASN 72.A O no hydrogen 2.995 N/A CYS 155.A N ASN 144.A O no hydrogen 2.698 N/A ALA 160.A N PHE 157.A O no hydrogen 3.216 N/A ARG 161.A N LEU 136.A O no hydrogen 3.000 N/A ARG 161.A NH2 ALA 160.A O no hydrogen 3.458 N/A VAL 162.A N ASP 321.A OD2 no hydrogen 3.404 N/A ALA 163.A N ASN 134.A O no hydrogen 2.893 N/A ASP 164.A N TYR 194.A O no hydrogen 3.024 N/A HIS 167.A N ASP 164.A O no hydrogen 3.089 N/A THR 170.A N ASN 190.A O no hydrogen 2.941 N/A THR 170.A OG1 THR 174.A OG1 no hydrogen 2.886 N/A LEU 173.A N MET 188.A O no hydrogen 3.161 N/A THR 174.A OG1 THR 170.A OG1 no hydrogen 2.886 N/A THR 174.A OG1 GLY 171.A O no hydrogen 2.691 N/A ARG 180.A NH1 GLY 219.A O no hydrogen 2.998 N/A TRP 181.A NE1 GLY 219.A O no hydrogen 2.944 N/A TYR 182.A N THR 179.A O no hydrogen 2.958 N/A TYR 182.A OH GLU 209.A OE1 no hydrogen 3.123 N/A TYR 182.A OH GLU 209.A OE2 no hydrogen 3.340 N/A ARG 183.A NE ALA 178.A O no hydrogen 2.714 N/A ARG 183.A NH2 ALA 178.A O no hydrogen 2.843 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.940 N/A ILE 187.A N ALA 184.A O no hydrogen 3.096 N/A MET 188.A N PRO 185.A O no hydrogen 3.240 N/A LEU 189.A N GLU 186.A O no hydrogen 3.043 N/A ASN 190.A N GLU 186.A O no hydrogen 2.851 N/A SER 191.A N GLU 186.A O no hydrogen 2.884 N/A SER 191.A OG ASP 168.A OD1 no hydrogen 2.929 N/A SER 191.A OG ASP 168.A OD2 no hydrogen 2.897 N/A LYS 192.A N ASP 168.A OD1 no hydrogen 3.135 N/A LYS 192.A NZ HIS 167.A O no hydrogen 2.839 N/A LYS 192.A NZ HIS 169.A O no hydrogen 3.257 N/A GLY 193.A N SER 191.A OG no hydrogen 2.790 N/A TYR 194.A N ASP 168.A OD1 no hydrogen 2.814 N/A LYS 196.A NZ HIS 131.A O no hydrogen 3.053 N/A ILE 198.A N THR 195.A O no hydrogen 3.451 N/A ASP 199.A N LYS 196.A O no hydrogen 3.104 N/A ILE 200.A N LYS 196.A O no hydrogen 3.458 N/A TRP 201.A N SER 197.A O no hydrogen 3.224 N/A SER 202.A N ILE 198.A O no hydrogen 3.282 N/A SER 202.A OG TYR 182.A O no hydrogen 2.747 N/A SER 202.A OG ILE 198.A O no hydrogen 3.223 N/A VAL 203.A N ASP 199.A O no hydrogen 2.982 N/A GLY 204.A N ILE 200.A O no hydrogen 2.953 N/A CYS 205.A N TRP 201.A O no hydrogen 2.983 N/A CYS 205.A SG TRP 181.A O no hydrogen 3.887 N/A CYS 205.A SG TRP 201.A O no hydrogen 3.424 N/A ILE 206.A N SER 202.A O no hydrogen 3.028 N/A LEU 207.A N VAL 203.A O no hydrogen 2.949 N/A ALA 208.A N GLY 204.A O no hydrogen 3.158 N/A GLU 209.A N CYS 205.A O no hydrogen 3.156 N/A MET 210.A N ILE 206.A O no hydrogen 2.979 N/A LEU 211.A N LEU 207.A O no hydrogen 3.118 N/A SER 212.A N ALA 208.A O no hydrogen 3.166 N/A SER 212.A OG ALA 208.A O no hydrogen 2.812 N/A SER 212.A OG ARG 214.A O no hydrogen 3.216 N/A ASN 213.A N GLU 209.A O no hydrogen 2.612 N/A ASN 213.A ND2 LEU 106.A O no hydrogen 2.852 N/A ASN 213.A ND2 GLN 109.A O no hydrogen 3.019 N/A GLY 219.A N PHE 217.A O no hydrogen 3.125 N/A GLY 219.A N GLN 225.A OE1 no hydrogen 2.993 N/A LYS 220.A N ASP 224.A OD2 no hydrogen 2.867 N/A TYR 222.A OH ILE 187.A O no hydrogen 3.078 N/A GLN 225.A N HIS 221.A O no hydrogen 3.428 N/A GLN 225.A NE2 PHE 217.A O no hydrogen 2.910 N/A ASN 227.A N LEU 223.A O no hydrogen 3.081 N/A HIS 228.A N ASP 224.A O no hydrogen 3.194 N/A LEU 230.A N LEU 226.A O no hydrogen 3.071 N/A GLY 231.A N ASN 227.A O no hydrogen 3.013 N/A ILE 232.A N HIS 228.A O no hydrogen 3.323 N/A LEU 233.A N ILE 229.A O no hydrogen 3.005 N/A GLY 234.A N LEU 230.A O no hydrogen 2.876 N/A SER 235.A N LYS 259.A O no hydrogen 2.781 N/A SER 235.A OG LYS 259.A O no hydrogen 3.554 N/A LEU 241.A N SER 237.A O no hydrogen 3.206 N/A ASN 242.A N GLN 238.A O no hydrogen 2.839 N/A CYS 243.A N GLU 239.A O no hydrogen 3.321 N/A CYS 243.A SG GLU 239.A O no hydrogen 3.614 N/A ILE 244.A N LEU 241.A O no hydrogen 2.862 N/A ASN 246.A ND2 LEU 189.A O no hydrogen 3.038 N/A ARG 250.A N ASN 246.A O no hydrogen 3.050 N/A ASN 251.A N LEU 247.A O no hydrogen 2.920 N/A TYR 252.A N LYS 248.A O no hydrogen 3.182 N/A TYR 252.A OH ASN 227.A OD1 no hydrogen 3.050 N/A LEU 253.A N ALA 249.A O no hydrogen 3.052 N/A LEU 254.A N ARG 250.A O no hydrogen 3.020 N/A SER 255.A N ASN 251.A O no hydrogen 3.092 N/A SER 255.A N TYR 252.A O no hydrogen 3.254 N/A SER 255.A OG TYR 252.A O no hydrogen 2.696 N/A LYS 259.A N SER 235.A OG no hydrogen 2.843 N/A VAL 262.A N ILE 232.A O no hydrogen 2.753 N/A TRP 264.A NE1 ASP 280.A OD1 no hydrogen 3.083 N/A ARG 266.A N PRO 263.A O no hydrogen 3.119 N/A LEU 267.A N PRO 263.A O no hydrogen 3.379 N/A PHE 268.A N TRP 264.A O no hydrogen 2.645 N/A ALA 271.A N PHE 268.A O no hydrogen 3.302 N/A LYS 274.A N ASP 272.A OD1 no hydrogen 3.354 N/A LYS 274.A NZ PRO 300.A O no hydrogen 3.201 N/A LYS 274.A NZ GLU 303.A OE2 no hydrogen 3.554 N/A LEU 276.A N ASP 272.A O no hydrogen 3.209 N/A ASP 277.A N SER 273.A O no hydrogen 3.162 N/A LEU 278.A N LYS 274.A O no hydrogen 2.986 N/A LEU 279.A N ALA 275.A O no hydrogen 2.945 N/A ASP 280.A N LEU 276.A O no hydrogen 2.947 N/A LYS 281.A N ASP 277.A O no hydrogen 3.266 N/A LYS 281.A NZ ASP 277.A OD1 no hydrogen 3.393 N/A LYS 281.A NZ ASP 277.A OD2 no hydrogen 3.160 N/A MET 282.A N LEU 278.A O no hydrogen 2.976 N/A MET 282.A N LEU 279.A O no hydrogen 3.050 N/A LEU 283.A N LEU 279.A O no hydrogen 2.803 N/A THR 284.A OG1 ASP 280.A O no hydrogen 3.481 N/A THR 284.A OG1 LYS 281.A O no hydrogen 3.121 N/A ASN 286.A ND2 ASP 240.A OD1 no hydrogen 2.836 N/A HIS 288.A N ASN 286.A OD1 no hydrogen 2.909 N/A LYS 289.A N ASN 286.A O no hydrogen 3.123 N/A ARG 290.A N ASN 286.A O no hydrogen 3.229 N/A ARG 290.A NE THR 284.A O no hydrogen 2.917 N/A ARG 290.A NH1 GLU 186.A OE2 no hydrogen 2.817 N/A ARG 290.A NH1 SER 197.A O no hydrogen 2.893 N/A ARG 290.A NH2 GLU 186.A OE1 no hydrogen 2.975 N/A ARG 290.A NH2 THR 284.A O no hydrogen 2.727 N/A ILE 291.A N LYS 281.A O no hydrogen 3.176 N/A GLU 292.A N GLN 295.A OE1 no hydrogen 2.880 N/A ALA 296.A N GLU 292.A O no hydrogen 2.947 N/A LEU 297.A N VAL 293.A O no hydrogen 3.078 N/A ALA 298.A N GLU 294.A O no hydrogen 3.270 N/A HIS 299.A N ALA 296.A O no hydrogen 3.287 N/A HIS 299.A NE2 ASP 277.A OD2 no hydrogen 2.799 N/A TYR 301.A N HIS 299.A ND1 no hydrogen 3.074 N/A TYR 301.A OH ASN 113.A OD1 no hydrogen 3.290 N/A LEU 302.A N HIS 299.A O no hydrogen 2.696 N/A TYR 305.A N LEU 302.A O no hydrogen 3.257 N/A TYR 306.A N LEU 302.A O no hydrogen 2.839 N/A SER 309.A OG ASP 307.A OD1 no hydrogen 3.523 N/A ALA 314.A N SER 132.A OG no hydrogen 2.824 N/A PHE 318.A N ALA 133.A O no hydrogen 2.825 N/A GLU 325.A N GLU 325.A OE1 no hydrogen 2.791 N/A LYS 326.A N PRO 323.A O no hydrogen 3.173 N/A LEU 327.A N PRO 323.A O no hydrogen 3.388 N/A LYS 328.A NZ MET 88.A O no hydrogen 3.189 N/A GLU 329.A N LYS 326.A O no hydrogen 3.091 N/A LEU 330.A N LYS 326.A O no hydrogen 3.303 N/A ILE 331.A N LEU 327.A O no hydrogen 3.494 N/A GLU 333.A N GLU 329.A O no hydrogen 2.960 N/A GLU 334.A N LEU 330.A O no hydrogen 2.854 N/A GLU 334.A N ILE 331.A O no hydrogen 3.023 N/A THR 335.A N ILE 331.A O no hydrogen 2.859 N/A THR 335.A OG1 ILE 331.A O no hydrogen 2.934 N/A THR 335.A OG1 PHE 332.A O no hydrogen 3.457 N/A PHE 338.A N THR 335.A O no hydrogen 3.390 N/A GLN 339.A N ALA 336.A O no hydrogen 3.080 N/A GLN 339.A NE2 ARG 81.A O no hydrogen 3.385 N/A