Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ALA 4.A O no hydrogen 3.178 N/A LYS 5.A N ASP 8.A OD2 no hydrogen 2.823 N/A LYS 5.A NZ ASP 8.A OD1 no hydrogen 3.134 N/A GLY 7.A N LEU 154.A O no hydrogen 2.729 N/A ASP 8.A N LYS 5.A O no hydrogen 2.982 N/A LEU 10.A N ILE 152.A O no hydrogen 2.841 N/A LEU 11.A N ILE 152.A O no hydrogen 3.234 N/A HIS 13.A N PHE 150.A O no hydrogen 2.794 N/A PHE 15.A N GLN 21.A OE1 no hydrogen 2.769 N/A THR 20.A OG1 TRP 23.A O no hydrogen 2.600 N/A GLN 21.A N THR 19.A OG1 no hydrogen 3.295 N/A TRP 23.A N THR 20.A O no hydrogen 2.980 N/A TRP 23.A NE1 HIS 13.A ND1 no hydrogen 3.076 N/A THR 24.A N SER 58.A O no hydrogen 2.809 N/A ARG 26.A N GLY 56.A O no hydrogen 2.898 N/A ARG 26.A NE TRP 54.A O no hydrogen 3.042 N/A ARG 26.A NH1 GLU 93.A OE1 no hydrogen 3.383 N/A ARG 26.A NH1 GLU 93.A OE2 no hydrogen 3.297 N/A ARG 26.A NH2 GLU 93.A OE2 no hydrogen 3.031 N/A VAL 29.A N GLY 27.A O no hydrogen 2.818 N/A LYS 30.A N THR 48.A O no hydrogen 2.859 N/A ASP 32.A N GLN 46.A O no hydrogen 2.941 N/A THR 34.A N SER 44.A O no hydrogen 2.862 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.019 N/A TYR 39.A N ASP 148.A OD2 no hydrogen 2.953 N/A GLN 40.A N ASP 148.A OD2 no hydrogen 3.240 N/A LYS 42.A N GLU 16.A OE1 no hydrogen 2.831 N/A GLN 43.A N GLU 16.A OE2 no hydrogen 3.050 N/A SER 44.A N THR 34.A O no hydrogen 3.017 N/A SER 44.A OG GLN 37.A O no hydrogen 2.678 N/A LEU 45.A N LEU 147.A O no hydrogen 2.759 N/A GLN 46.A N ASP 32.A O no hydrogen 2.729 N/A THR 47.A N TYR 145.A O no hydrogen 2.943 N/A THR 48.A N LYS 30.A O no hydrogen 2.936 N/A ARG 50.A NE ASN 55.A O no hydrogen 2.791 N/A ARG 50.A NH1 ASP 140.A O no hydrogen 2.796 N/A ARG 50.A NH1 ALA 143.A O no hydrogen 2.882 N/A ARG 50.A NH2 ALA 53.A O no hydrogen 2.899 N/A ARG 50.A NH2 ASN 55.A O no hydrogen 3.363 N/A ARG 50.A NH2 SER 138.A O no hydrogen 2.988 N/A ARG 50.A NH2 ASP 140.A O no hydrogen 3.566 N/A THR 51.A OG1 GLU 52.A OE2 no hydrogen 3.005 N/A ASN 55.A N GLU 52.A O no hydrogen 2.990 N/A GLY 56.A N ARG 26.A O no hydrogen 3.119 N/A SER 58.A N THR 24.A O no hydrogen 2.805 N/A SER 58.A OG THR 24.A O no hydrogen 2.856 N/A LEU 59.A N LEU 134.A O no hydrogen 2.771 N/A LEU 61.A N LEU 132.A O no hydrogen 2.872 N/A THR 62.A OG1 SER 60.A OG no hydrogen 3.409 N/A VAL 64.A N LEU 61.A O no hydrogen 3.001 N/A VAL 65.A N LEU 61.A O no hydrogen 3.031 N/A HIS 66.A N GLU 69.A OE1 no hydrogen 2.940 N/A ASN 68.A N TYR 126.A O no hydrogen 2.794 N/A GLU 69.A N HIS 66.A O no hydrogen 3.174 N/A VAL 70.A N LYS 156.A O no hydrogen 2.909 N/A VAL 71.A N TYR 124.A O no hydrogen 2.887 N/A GLU 72.A N ARG 153.A O no hydrogen 2.746 N/A ILE 73.A N GLY 122.A O no hydrogen 2.774 N/A SER 74.A N GLN 151.A O no hydrogen 2.880 N/A GLY 75.A N LEU 120.A O no hydrogen 2.930 N/A TYR 76.A N ASP 148.A O no hydrogen 2.907 N/A VAL 77.A N VAL 118.A O no hydrogen 2.800 N/A LYS 78.A N LEU 146.A O no hydrogen 3.194 N/A LYS 78.A NZ GLN 37.A OE1 no hydrogen 3.062 N/A LEU 79.A N THR 113.A O no hydrogen 2.998 N/A VAL 80.A N ALA 144.A O no hydrogen 2.984 N/A GLY 82.A N ASP 114.A OD2 no hydrogen 3.037 N/A SER 83.A N VAL 80.A O no hydrogen 3.207 N/A SER 83.A OG VAL 80.A O no hydrogen 2.791 N/A ALA 86.A N VAL 112.A O no hydrogen 2.968 N/A LEU 88.A N GLU 110.A O no hydrogen 2.929 N/A LYS 89.A N GLU 137.A O no hydrogen 3.012 N/A PHE 90.A N ASN 107.A OD1 no hydrogen 2.839 N/A THR 91.A N TYR 135.A O no hydrogen 2.884 N/A THR 91.A OG1 GLU 137.A OE1 no hydrogen 2.744 N/A VAL 92.A N ASP 104.A O no hydrogen 2.882 N/A GLU 93.A N LEU 133.A O no hydrogen 2.729 N/A ARG 94.A N GLN 102.A O no hydrogen 2.784 N/A ARG 94.A NE ASP 104.A OD2 no hydrogen 2.729 N/A ARG 94.A NH1 GLN 128.A O no hydrogen 2.904 N/A ARG 94.A NH2 ASP 104.A OD1 no hydrogen 3.012 N/A ARG 94.A NH2 ASP 104.A OD2 no hydrogen 3.377 N/A ARG 95.A N SER 131.A O no hydrogen 3.113 N/A ASP 96.A N ASP 100.A O no hydrogen 2.845 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 3.002 N/A GLY 99.A N ASP 96.A O no hydrogen 2.998 N/A ASP 100.A N ASP 96.A OD1 no hydrogen 3.157 N/A GLN 102.A N ARG 94.A O no hydrogen 2.655 N/A GLN 102.A NE2 ASP 96.A OD2 no hydrogen 3.013 N/A TYR 103.A OH GLU 93.A OE2 no hydrogen 2.976 N/A ASP 104.A N VAL 92.A O no hydrogen 2.809 N/A GLU 110.A N LEU 88.A O no hydrogen 3.032 N/A VAL 112.A N ALA 86.A O no hydrogen 2.781 N/A GLN 115.A N THR 113.A OG1 no hydrogen 3.230 N/A VAL 118.A N VAL 77.A O no hydrogen 2.815 N/A LEU 120.A N GLY 75.A O no hydrogen 2.765 N/A GLY 122.A N ILE 73.A O no hydrogen 2.958 N/A TYR 124.A N VAL 71.A O no hydrogen 2.786 N/A TYR 124.A OH ASP 104.A OD2 no hydrogen 2.696 N/A TYR 126.A OH VAL 65.A O no hydrogen 3.363 N/A SER 130.A N ARG 95.A O no hydrogen 2.817 N/A SER 130.A OG ARG 95.A O no hydrogen 3.375 N/A LEU 132.A N THR 62.A OG1 no hydrogen 3.235 N/A LEU 133.A N GLU 93.A O no hydrogen 2.819 N/A LEU 134.A N LEU 59.A O no hydrogen 2.777 N/A TYR 135.A N THR 91.A O no hydrogen 2.799 N/A LEU 136.A N PRO 57.A O no hydrogen 3.168 N/A GLU 137.A N LYS 89.A O no hydrogen 2.863 N/A SER 138.A OG ASP 87.A O no hydrogen 2.757 N/A SER 138.A OG ASP 140.A O no hydrogen 3.519 N/A ASP 140.A N SER 138.A OG no hydrogen 3.083 N/A LYS 142.A N ASP 140.A OD1 no hydrogen 3.024 N/A ALA 143.A N ASP 140.A O no hydrogen 3.327 N/A TYR 145.A N THR 47.A O no hydrogen 3.121 N/A TYR 145.A OH LEU 136.A O no hydrogen 2.611 N/A LEU 146.A N LYS 78.A O no hydrogen 2.688 N/A LEU 147.A N LEU 45.A O no hydrogen 2.765 N/A ASP 148.A N TYR 76.A O no hydrogen 2.800 N/A GLU 149.A N ASP 148.A OD1 no hydrogen 2.736 N/A PHE 150.A N HIS 13.A O no hydrogen 2.888 N/A GLN 151.A N SER 74.A O no hydrogen 2.746 N/A ILE 152.A N LEU 11.A O no hydrogen 2.895 N/A ARG 153.A N GLU 72.A O no hydrogen 2.907 N/A ARG 153.A NH1 GLY 7.A O no hydrogen 2.816 N/A LEU 154.A N ASP 8.A O no hydrogen 2.845 N/A VAL 155.A N VAL 70.A O no hydrogen 2.820 N/A LYS 156.A N VAL 70.A O no hydrogen 3.079 N/A GLY 166.A N GLU 164.A O no hydrogen 3.055 N/A LEU 169.A N ILE 325.A O no hydrogen 2.852 N/A PHE 170.A N ILE 325.A O no hydrogen 3.314 N/A ALA 172.A N VAL 323.A O no hydrogen 2.782 N/A GLU 175.A N ASP 173.A OD1 no hydrogen 2.883 N/A GLY 177.A N PHE 174.A O no hydrogen 3.078 N/A ASN 178.A N ASP 176.A OD1 no hydrogen 3.006 N/A TRP 182.A N ILE 179.A O no hydrogen 3.207 N/A ARG 183.A N LEU 217.A O no hydrogen 2.836 N/A ARG 185.A N GLU 188.A OE2 no hydrogen 2.967 N/A ARG 185.A NH1 TYR 213.A O no hydrogen 2.911 N/A ARG 185.A NH2 GLU 252.A OE2 no hydrogen 3.432 N/A GLY 186.A N GLU 188.A OE1 no hydrogen 2.842 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.574 N/A LYS 189.A N SER 207.A O no hydrogen 2.924 N/A LYS 189.A NZ THR 187.A O no hydrogen 3.564 N/A GLU 191.A N LYS 205.A O no hydrogen 2.927 N/A VAL 193.A N SER 203.A O no hydrogen 2.944 N/A GLY 195.A N ASN 201.A O no hydrogen 2.765 N/A HIS 198.A N ASP 321.A OD2 no hydrogen 2.840 N/A SER 200.A OG GLU 175.A OE2 no hydrogen 3.234 N/A SER 200.A OG HIS 198.A O no hydrogen 2.812 N/A ARG 202.A N GLU 175.A OE2 no hydrogen 3.336 N/A ARG 202.A NE GLU 175.A O no hydrogen 3.232 N/A SER 203.A N VAL 193.A O no hydrogen 3.386 N/A SER 203.A OG ILE 196.A O no hydrogen 2.804 N/A LEU 204.A N VAL 320.A O no hydrogen 2.765 N/A LYS 205.A N GLU 191.A O no hydrogen 2.752 N/A THR 206.A N PHE 318.A O no hydrogen 2.893 N/A SER 207.A N LYS 189.A O no hydrogen 2.922 N/A ARG 209.A NE HIS 214.A O no hydrogen 2.712 N/A ARG 209.A NH1 ASP 314.A O no hydrogen 2.873 N/A ARG 209.A NH1 ILE 316.A O no hydrogen 2.759 N/A ARG 209.A NH2 THR 212.A O no hydrogen 2.990 N/A ARG 209.A NH2 HIS 214.A O no hydrogen 3.025 N/A ARG 209.A NH2 THR 302.A OG1 no hydrogen 2.942 N/A SER 210.A N HIS 214.A ND1 no hydrogen 3.214 N/A GLU 211.A N HIS 214.A ND1 no hydrogen 3.227 N/A THR 212.A OG1 THR 302.A O no hydrogen 3.058 N/A THR 212.A OG1 THR 302.A OG1 no hydrogen 2.934 N/A THR 212.A OG1 PRO 303.A O no hydrogen 2.514 N/A HIS 214.A N GLU 211.A O no hydrogen 3.316 N/A GLY 215.A N GLU 188.A OE2 no hydrogen 2.818 N/A LEU 217.A N ARG 183.A O no hydrogen 2.987 N/A VAL 218.A N MET 298.A O no hydrogen 2.986 N/A VAL 220.A N LEU 296.A O no hydrogen 2.817 N/A LEU 221.A N GLU 219.A OE2 no hydrogen 3.344 N/A LEU 221.A N LEU 296.A O no hydrogen 3.181 N/A TYR 223.A N VAL 220.A O no hydrogen 3.158 N/A LEU 224.A N LEU 221.A O no hydrogen 2.940 N/A LYS 226.A NZ ILE 293.A O no hydrogen 3.489 N/A GLY 227.A N VAL 286.A O no hydrogen 3.067 N/A GLY 227.A N PRO 287.A O no hydrogen 3.226 N/A SER 228.A N GLN 225.A O no hydrogen 3.116 N/A SER 228.A OG GLN 225.A O no hydrogen 2.598 N/A VAL 230.A N ILE 284.A O no hydrogen 3.031 N/A HIS 231.A N THR 326.A O no hydrogen 2.728 N/A HIS 231.A ND1 ASP 283.A OD1 no hydrogen 2.738 N/A HIS 231.A NE2 GLU 281.A OE1 no hydrogen 2.870 N/A ILE 232.A N ALA 282.A O no hydrogen 2.811 N/A SER 233.A N GLN 324.A O no hydrogen 2.781 N/A PHE 234.A N ILE 280.A O no hydrogen 2.899 N/A TRP 235.A N ASP 321.A O no hydrogen 2.952 N/A ALA 236.A N LYS 278.A O no hydrogen 3.084 N/A MET 237.A N TYR 319.A O no hydrogen 3.031 N/A TYR 238.A OH PRO 242.A O no hydrogen 2.699 N/A THR 244.A OG1 LEU 272.A O no hydrogen 2.972 N/A GLN 245.A N LEU 272.A O no hydrogen 3.000 N/A GLN 245.A NE2 VAL 246.A O no hydrogen 3.278 N/A ILE 247.A N THR 270.A O no hydrogen 3.105 N/A ASN 248.A N GLU 301.A O no hydrogen 2.742 N/A GLY 249.A N ALA 268.A O no hydrogen 2.855 N/A SER 250.A N TYR 299.A O no hydrogen 2.773 N/A SER 250.A OG GLU 301.A OE2 no hydrogen 3.367 N/A LEU 251.A N ALA 265.A O no hydrogen 2.708 N/A GLU 252.A N ARG 297.A O no hydrogen 2.753 N/A LYS 253.A N GLU 263.A O no hydrogen 2.763 N/A GLU 254.A N GLY 295.A O no hydrogen 2.847 N/A ASN 256.A N GLY 292.A O no hydrogen 2.660 N/A ARG 257.A N SER 294.A OG no hydrogen 2.900 N/A ASP 258.A N PHE 255.A O no hydrogen 2.848 N/A ALA 260.A N ASP 258.A OD1 no hydrogen 3.270 N/A ASN 261.A N ASP 258.A O no hydrogen 3.510 N/A ASN 261.A ND2 ASP 258.A OD1 no hydrogen 3.372 N/A ASN 261.A ND2 ASP 258.A OD2 no hydrogen 2.891 N/A GLU 263.A N LYS 253.A O no hydrogen 3.017 N/A ALA 265.A N LEU 251.A O no hydrogen 2.923 N/A PHE 267.A N GLY 249.A O no hydrogen 2.946 N/A ALA 268.A N GLY 249.A O no hydrogen 3.256 N/A THR 270.A N ILE 247.A O no hydrogen 3.253 N/A LEU 272.A N GLN 245.A O no hydrogen 2.689 N/A LYS 274.A N ALA 243.A O no hydrogen 3.011 N/A LYS 274.A NZ GLY 241.A O no hydrogen 3.088 N/A GLY 275.A N TYR 238.A O no hydrogen 2.841 N/A GLN 276.A N ASN 273.A O no hydrogen 2.909 N/A LYS 278.A N ALA 236.A O no hydrogen 3.033 N/A LYS 278.A NZ THR 270.A OG1 no hydrogen 3.209 N/A LYS 278.A NZ THR 271.A O no hydrogen 2.864 N/A LYS 279.A NZ GLU 281.A OE1 no hydrogen 3.453 N/A ILE 280.A N PHE 234.A O no hydrogen 2.729 N/A ALA 282.A N ILE 232.A O no hydrogen 3.003 N/A ILE 284.A N VAL 230.A O no hydrogen 2.820 N/A VAL 286.A N SER 228.A O no hydrogen 2.870 N/A THR 291.A N ALA 288.A O no hydrogen 3.165 N/A THR 291.A OG1 ALA 288.A O no hydrogen 2.571 N/A GLY 292.A N GLU 289.A O no hydrogen 2.880 N/A ILE 293.A N THR 291.A OG1 no hydrogen 3.246 N/A SER 294.A N GLU 254.A O no hydrogen 2.854 N/A SER 294.A OG GLU 254.A O no hydrogen 3.223 N/A SER 294.A OG GLU 254.A OE2 no hydrogen 2.628 N/A GLY 295.A N GLU 254.A O no hydrogen 3.072 N/A LEU 296.A N GLU 219.A OE2 no hydrogen 2.834 N/A ARG 297.A N GLU 252.A O no hydrogen 2.880 N/A ARG 297.A NE GLU 219.A OE1 no hydrogen 2.949 N/A ARG 297.A NH1 GLU 252.A OE1 no hydrogen 2.628 N/A ARG 297.A NH2 GLU 254.A OE1 no hydrogen 3.136 N/A MET 298.A N VAL 218.A O no hydrogen 3.012 N/A TYR 299.A N SER 250.A O no hydrogen 2.873 N/A ALA 300.A N PRO 216.A O no hydrogen 3.234 N/A GLU 301.A N ASN 248.A O no hydrogen 3.079 N/A THR 302.A N THR 212.A O no hydrogen 3.199 N/A THR 302.A OG1 THR 212.A O no hydrogen 3.432 N/A THR 302.A OG1 THR 212.A OG1 no hydrogen 2.934 N/A THR 302.A OG1 ASP 314.A O no hydrogen 2.905 N/A LYS 305.A NZ ASP 314.A OD1 no hydrogen 3.320 N/A SER 307.A OG GLU 211.A OE1 no hydrogen 2.973 N/A SER 307.A OG GLU 211.A OE2 no hydrogen 3.092 N/A GLU 309.A N GLN 306.A O no hydrogen 2.965 N/A VAL 310.A N SER 307.A O no hydrogen 3.131 N/A THR 311.A N ASP 314.A OD2 no hydrogen 2.846 N/A THR 311.A OG1 ASP 314.A OD2 no hydrogen 3.191 N/A ASP 314.A N THR 311.A O no hydrogen 3.115 N/A THR 315.A OG1 GLU 312.A O no hydrogen 3.240 N/A PHE 318.A N THR 206.A O no hydrogen 3.122 N/A TYR 319.A N MET 237.A O no hydrogen 2.749 N/A VAL 320.A N LEU 204.A O no hydrogen 2.826 N/A ASP 321.A N TRP 235.A O no hydrogen 2.914 N/A ASP 322.A N ASP 321.A OD1 no hydrogen 2.597 N/A VAL 323.A N ALA 172.A O no hydrogen 2.790 N/A GLN 324.A N SER 233.A O no hydrogen 2.815 N/A ILE 325.A N PHE 170.A O no hydrogen 2.918 N/A THR 326.A N HIS 231.A O no hydrogen 2.960 N/A ALA 327.A N GLN 167.A O no hydrogen 3.064 N/A THR 328.A OG1 THR 229.A O no hydrogen 2.884 N/A