Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4tui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ARG 1.A O no hydrogen 2.190 N/A SER 3.A OG SER 234.A OG no hydrogen 2.467 N/A PHE 7.A N VAL 231.A O no hydrogen 2.739 N/A VAL 8.A N VAL 47.A O no hydrogen 2.964 N/A HIS 9.A N TYR 229.A O no hydrogen 2.943 N/A HIS 9.A NE2 SER 51.A OG no hydrogen 3.096 N/A ILE 10.A N LEU 49.A O no hydrogen 2.972 N/A ASP 12.A N GLY 52.A O no hydrogen 2.977 N/A ASN 13.A ND2 THR 210.A OG1 no hydrogen 3.395 N/A HIS 14.A N ASP 53.A O no hydrogen 3.112 N/A HIS 14.A NE2 ASP 12.A OD2 no hydrogen 3.135 N/A LEU 15.A N LEU 54.A O no hydrogen 2.810 N/A TYR 17.A N HIS 14.A O no hydrogen 3.079 N/A TYR 17.A OH ILE 213.A O no hydrogen 3.167 N/A ARG 18.A NE ASN 21.A OD1 no hydrogen 3.169 N/A ARG 18.A NH1 ASP 23.A OD2 no hydrogen 2.794 N/A ARG 18.A NH2 ASP 23.A OD2 no hydrogen 2.280 N/A GLN 19.A NE2 ILE 212.A O no hydrogen 3.484 N/A GLN 19.A NE2 ILE 213.A O no hydrogen 2.901 N/A ASN 21.A N ARG 18.A O no hydrogen 2.957 N/A LEU 22.A N GLN 19.A O no hydrogen 3.107 N/A ARG 25.A N LEU 22.A O no hydrogen 3.150 N/A ARG 25.A NE GLN 19.A OE1 no hydrogen 2.664 N/A ARG 25.A NH1 GLN 19.A OE1 no hydrogen 2.714 N/A ARG 25.A NH1 GLU 211.A OE1 no hydrogen 2.987 N/A ARG 25.A NH2 ASP 28.A OD2 no hydrogen 2.868 N/A ARG 25.A NH2 GLU 211.A OE2 no hydrogen 3.407 N/A GLU 26.A N LEU 22.A O no hydrogen 3.307 N/A LYS 27.A N ASP 23.A O no hydrogen 3.170 N/A LYS 27.A NZ ASP 31.A OD2 no hydrogen 2.898 N/A ASP 28.A N ASP 24.A O no hydrogen 2.981 N/A ILE 29.A N ARG 25.A O no hydrogen 3.067 N/A TYR 30.A N GLU 26.A O no hydrogen 3.324 N/A ASP 31.A N LYS 27.A O no hydrogen 2.760 N/A SER 32.A N ASP 28.A O no hydrogen 3.013 N/A SER 32.A OG ILE 29.A O no hydrogen 2.914 N/A SER 32.A OG THR 210.A O no hydrogen 3.322 N/A PHE 33.A N ILE 29.A O no hydrogen 3.263 N/A LYS 34.A N TYR 30.A O no hydrogen 2.879 N/A LYS 34.A NZ ASP 31.A OD1 no hydrogen 3.210 N/A LEU 35.A N ASP 31.A O no hydrogen 2.927 N/A CYS 36.A N SER 32.A O no hydrogen 2.992 N/A CYS 36.A SG SER 32.A O no hydrogen 3.292 N/A ILE 37.A N PHE 33.A O no hydrogen 2.949 N/A LYS 38.A N LYS 34.A O no hydrogen 2.696 N/A LYS 39.A N LEU 35.A O no hydrogen 2.883 N/A ILE 40.A N CYS 36.A O no hydrogen 2.693 N/A LEU 41.A N ILE 37.A O no hydrogen 3.017 N/A LEU 41.A N LYS 38.A O no hydrogen 3.009 N/A GLU 42.A N LYS 38.A O no hydrogen 3.196 N/A ILE 43.A N LYS 39.A O no hydrogen 3.100 N/A LYS 44.A N ILE 40.A O no hydrogen 3.065 N/A LYS 44.A NZ ASN 78.A OD1 no hydrogen 2.612 N/A VAL 47.A N MET 6.A O no hydrogen 3.312 N/A VAL 48.A N LYS 81.A O no hydrogen 2.933 N/A LEU 49.A N VAL 8.A O no hydrogen 2.685 N/A HIS 50.A N TYR 83.A O no hydrogen 3.004 N/A HIS 50.A NE2 ASN 13.A OD1 no hydrogen 2.570 N/A SER 51.A N ILE 10.A O no hydrogen 2.961 N/A SER 51.A OG HIS 9.A NE2 no hydrogen 3.096 N/A SER 51.A OG ALA 187.A O no hydrogen 3.106 N/A GLY 52.A N HIS 50.A ND1 no hydrogen 3.190 N/A ASP 53.A N GLU 90.A OE1 no hydrogen 2.890 N/A PHE 55.A N GLU 90.A OE2 no hydrogen 2.939 N/A ASN 56.A N LEU 15.A O no hydrogen 2.990 N/A ASN 56.A ND2 HIS 14.A ND1 no hydrogen 2.950 N/A LEU 58.A N ASP 57.A OD2 no hydrogen 2.503 N/A LEU 65.A N PRO 61.A O no hydrogen 3.302 N/A ARG 66.A N VAL 62.A O no hydrogen 2.750 N/A ILE 67.A N LYS 63.A O no hydrogen 2.833 N/A ALA 68.A N ALA 64.A O no hydrogen 2.845 N/A MET 69.A N LEU 65.A O no hydrogen 3.027 N/A GLN 70.A N ARG 66.A O no hydrogen 2.989 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 3.212 N/A ALA 71.A N ILE 67.A O no hydrogen 2.815 N/A PHE 72.A N ALA 68.A O no hydrogen 2.921 N/A LYS 73.A N MET 69.A O no hydrogen 2.914 N/A LYS 74.A N GLN 70.A O no hydrogen 3.132 N/A LEU 75.A N ALA 71.A O no hydrogen 3.071 N/A HIS 76.A N PHE 72.A O no hydrogen 2.909 N/A GLU 77.A N LYS 73.A O no hydrogen 2.753 N/A ASN 78.A N LEU 75.A O no hydrogen 2.999 N/A ASN 79.A N HIS 76.A O no hydrogen 3.359 N/A ILE 80.A N LEU 75.A O no hydrogen 3.207 N/A LYS 81.A N ASP 46.A O no hydrogen 3.331 N/A TYR 83.A N VAL 48.A O no hydrogen 3.018 N/A TYR 83.A OH ASP 115.A OD2 no hydrogen 2.731 N/A ILE 84.A N LYS 109.A O no hydrogen 2.787 N/A VAL 85.A N HIS 50.A O no hydrogen 3.387 N/A GLY 87.A N GLU 90.A OE1 no hydrogen 2.631 N/A HIS 89.A N ASP 53.A OD2 no hydrogen 3.095 N/A GLU 90.A N GLY 87.A O no hydrogen 3.148 N/A ARG 93.A N GLU 97.A OE1 no hydrogen 3.335 N/A ARG 94.A N GLU 97.A OE1 no hydrogen 3.303 N/A GLU 97.A N ARG 94.A O no hydrogen 3.023 N/A SER 99.A OG GLU 90.A O no hydrogen 2.995 N/A LEU 101.A N SER 99.A OG no hydrogen 2.992 N/A ALA 102.A N SER 99.A O no hydrogen 2.798 N/A LEU 103.A N PRO 100.A O no hydrogen 3.121 N/A LEU 104.A N LEU 101.A O no hydrogen 2.875 N/A LYS 105.A N ALA 102.A O no hydrogen 3.376 N/A LYS 105.A NZ ASP 106.A OD2 no hydrogen 3.556 N/A TYR 107.A N LEU 104.A O no hydrogen 2.770 N/A VAL 108.A N LEU 104.A O no hydrogen 3.128 N/A LYS 109.A N VAL 82.A O no hydrogen 2.846 N/A LEU 111.A N ILE 84.A O no hydrogen 2.857 N/A ASP 115.A N ILE 126.A O no hydrogen 2.790 N/A ILE 117.A N ILE 124.A O no hydrogen 3.016 N/A GLU 122.A N VAL 119.A O no hydrogen 2.465 N/A ILE 124.A N ILE 117.A O no hydrogen 3.322 N/A PHE 125.A N LYS 156.A O no hydrogen 3.008 N/A ILE 126.A N ASP 115.A O no hydrogen 2.741 N/A CYS 127.A N ILE 158.A O no hydrogen 2.836 N/A CYS 127.A SG ILE 158.A O no hydrogen 3.554 N/A THR 129.A OG1 ASP 112.A OD1 no hydrogen 2.586 N/A THR 129.A OG1 HIS 132.A NE2 no hydrogen 3.114 N/A TYR 131.A N ALA 86.A O no hydrogen 2.944 N/A HIS 132.A N GLN 163.A OE1 no hydrogen 3.407 N/A HIS 132.A NE2 THR 129.A OG1 no hydrogen 3.114 N/A LYS 134.A NZ TYR 173.A O no hydrogen 2.181 N/A LYS 136.A N LYS 133.A O no hydrogen 3.249 N/A ARG 137.A NE ASP 179.A OD1 no hydrogen 2.970 N/A ARG 137.A NH2 ASP 179.A OD1 no hydrogen 2.759 N/A ARG 137.A NH2 ASP 179.A OD2 no hydrogen 2.849 N/A LEU 141.A N ARG 137.A O no hydrogen 2.952 N/A ASP 142.A N GLU 138.A O no hydrogen 3.244 N/A LEU 144.A N MET 140.A O no hydrogen 2.954 N/A LYS 145.A N LEU 141.A O no hydrogen 2.814 N/A ASN 146.A N ASP 142.A O no hydrogen 2.981 N/A ASN 146.A ND2 ASN 146.A O no hydrogen 2.882 N/A PHE 147.A N LYS 143.A O no hydrogen 2.792 N/A GLU 148.A N LEU 144.A O no hydrogen 2.881 N/A SER 149.A N LYS 145.A O no hydrogen 3.275 N/A GLU 150.A N ASN 146.A O no hydrogen 3.139 N/A LYS 152.A N SER 149.A O no hydrogen 3.438 N/A TYR 154.A N ALA 151.A O no hydrogen 3.030 N/A LYS 156.A NZ GLU 122.A OE1 no hydrogen 3.534 N/A LYS 156.A NZ GLU 122.A OE2 no hydrogen 2.770 N/A LYS 156.A NZ PHE 233.A O no hydrogen 3.442 N/A LYS 156.A NZ SER 234.A O no hydrogen 3.081 N/A LYS 156.A NZ GLY 235.A O no hydrogen 3.149 N/A LYS 157.A N SER 184.A OG no hydrogen 3.050 N/A ILE 158.A N PHE 125.A O no hydrogen 2.923 N/A LEU 159.A N TYR 185.A O no hydrogen 3.071 N/A MET 160.A N CYS 127.A O no hydrogen 2.811 N/A LEU 161.A N ALA 187.A O no hydrogen 2.910 N/A HIS 162.A ND1 SER 51.A O no hydrogen 2.599 N/A HIS 162.A NE2 ASN 88.A OD1 no hydrogen 2.821 N/A GLN 163.A NE2 TYR 130.A O no hydrogen 3.381 N/A GLY 164.A N GLU 174.A OE1 no hydrogen 2.573 N/A ILE 165.A N TYR 206.A OH no hydrogen 3.294 N/A ASN 166.A N LEU 175.A O no hydrogen 2.575 N/A TYR 168.A N ILE 165.A O no hydrogen 2.944 N/A TYR 168.A OH GLU 197.A OE1 no hydrogen 2.918 N/A ILE 169.A N ILE 165.A O no hydrogen 3.168 N/A TYR 173.A OH GLU 176.A OE1 no hydrogen 3.130 N/A GLU 174.A N GLY 164.A O no hydrogen 2.878 N/A LEU 175.A N GLY 164.A O no hydrogen 3.124 N/A GLU 176.A N ASP 179.A OD1 no hydrogen 2.882 N/A ASP 179.A N GLU 176.A O no hydrogen 2.771 N/A LYS 182.A NZ ASN 200.A OD1 no hydrogen 2.877 N/A LYS 182.A NZ ASP 201.A OD1 no hydrogen 2.943 N/A PHE 183.A N TYR 186.A OH no hydrogen 2.993 N/A SER 184.A N LYS 157.A O no hydrogen 2.774 N/A SER 184.A OG LYS 157.A O no hydrogen 3.408 N/A TYR 186.A N ILE 203.A O no hydrogen 3.013 N/A TYR 186.A OH PRO 181.A O no hydrogen 2.163 N/A ALA 187.A N LEU 159.A O no hydrogen 2.644 N/A LEU 188.A N ALA 205.A O no hydrogen 3.041 N/A HIS 192.A ND1 GLU 217.A OE2 no hydrogen 2.855 N/A ARG 194.A NE GLY 225.A O no hydrogen 2.426 N/A ILE 195.A N TYR 206.A O no hydrogen 3.203 N/A GLU 197.A N LEU 204.A O no hydrogen 3.227 N/A ARG 198.A NE ASP 239.A OD1 no hydrogen 3.538 N/A ARG 198.A NH1 LEU 238.A O no hydrogen 3.258 N/A PHE 199.A N GLY 202.A O no hydrogen 3.173 N/A ASN 200.A ND2 LEU 180.A O no hydrogen 3.383 N/A ILE 203.A N SER 184.A O no hydrogen 2.810 N/A LEU 204.A N GLU 197.A O no hydrogen 3.152 N/A ALA 205.A N TYR 186.A O no hydrogen 3.181 N/A TYR 206.A N ILE 195.A O no hydrogen 2.779 N/A TYR 206.A OH GLN 163.A O no hydrogen 3.111 N/A SER 207.A OG HIS 9.A O no hydrogen 3.474 N/A SER 207.A OG GLY 208.A O no hydrogen 3.568 N/A SER 207.A OG GLY 227.A O no hydrogen 3.489 N/A SER 209.A N HIS 192.A O no hydrogen 3.099 N/A SER 209.A OG HIS 192.A O no hydrogen 3.207 N/A SER 209.A OG GLU 211.A O no hydrogen 3.060 N/A SER 209.A OG GLU 217.A OE1 no hydrogen 3.433 N/A THR 210.A N ASP 12.A O no hydrogen 3.279 N/A ILE 212.A N GLU 211.A OE1 no hydrogen 2.630 N/A ILE 213.A N GLU 217.A OE1 no hydrogen 2.918 N/A ARG 215.A NE TYR 20.A OH no hydrogen 3.341 N/A GLU 217.A N TYR 214.A O no hydrogen 3.131 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.747 N/A TYR 221.A N GLU 217.A O no hydrogen 3.293 N/A LYS 223.A N GLU 219.A O no hydrogen 2.939 N/A LYS 223.A NZ GLU 224.A OE2 no hydrogen 3.120 N/A GLU 224.A N ASP 220.A O no hydrogen 3.026 N/A GLY 225.A N ASP 220.A O no hydrogen 3.189 N/A LYS 226.A NZ SER 209.A OG no hydrogen 2.902 N/A PHE 228.A N ILE 246.A O no hydrogen 2.852 N/A TYR 229.A N HIS 9.A O no hydrogen 3.046 N/A LEU 230.A N GLU 244.A O no hydrogen 2.713 N/A VAL 231.A N PHE 7.A O no hydrogen 2.883 N/A ASP 232.A N ASP 242.A O no hydrogen 3.117 N/A SER 234.A N ASP 232.A OD1 no hydrogen 3.318 N/A SER 234.A OG SER 3.A OG no hydrogen 2.467 N/A SER 234.A OG ASP 232.A OD2 no hydrogen 2.609 N/A ASP 239.A N ASP 242.A OD2 no hydrogen 2.963 N/A SER 241.A OG ASP 242.A OD2 no hydrogen 3.045 N/A ASP 242.A N ASP 239.A O no hydrogen 3.207 N/A ILE 243.A N ILE 240.A O no hydrogen 2.940 N/A GLU 244.A N LEU 230.A O no hydrogen 3.069 N/A LYS 245.A NZ GLU 224.A O no hydrogen 2.261 N/A ILE 246.A N PHE 228.A O no hydrogen 2.798 N/A ILE 248.A N LYS 226.A O no hydrogen 2.658 N/A CYS 250.A SG ILE 248.A O no hydrogen 3.955 N/A ARG 251.A NE ASP 28.A OD2 no hydrogen 2.856 N/A ARG 251.A NH2 ASP 28.A OD2 no hydrogen 3.462 N/A VAL 254.A N VAL 279.A O no hydrogen 2.903 N/A VAL 256.A N PHE 281.A O no hydrogen 2.709 N/A ILE 258.A N LYS 283.A O no hydrogen 3.145 N/A LYS 259.A N SER 263.A OG no hydrogen 2.837 N/A ASP 260.A N SER 263.A OG no hydrogen 2.931 N/A SER 263.A N ASP 260.A OD2 no hydrogen 3.206 N/A SER 263.A OG ASP 260.A O no hydrogen 2.797 N/A SER 263.A OG ASP 260.A OD2 no hydrogen 2.824 N/A PHE 264.A N ASP 260.A O no hydrogen 2.967 N/A ASN 265.A N LYS 261.A O no hydrogen 3.119 N/A GLU 266.A N LYS 262.A O no hydrogen 3.142 N/A ALA 267.A N SER 263.A O no hydrogen 2.852 N/A VAL 268.A N PHE 264.A O no hydrogen 2.895 N/A ASN 269.A N ASN 265.A O no hydrogen 3.007 N/A LYS 270.A N GLU 266.A O no hydrogen 2.866 N/A ILE 271.A N ALA 267.A O no hydrogen 2.913 N/A GLU 272.A N VAL 268.A O no hydrogen 2.612 N/A ARG 273.A N ASN 269.A O no hydrogen 2.896 N/A CYS 274.A N ILE 271.A O no hydrogen 3.180 N/A CYS 274.A SG LYS 270.A O no hydrogen 3.265 N/A LYS 275.A N GLU 252.A OE2 no hydrogen 2.679 N/A ASN 276.A N GLU 252.A OE2 no hydrogen 3.497 N/A VAL 279.A N GLU 252.A O no hydrogen 3.031 N/A VAL 280.A N ILE 301.A O no hydrogen 3.124 N/A PHE 281.A N VAL 254.A O no hydrogen 3.070 N/A LYS 283.A N VAL 256.A O no hydrogen 2.869 N/A ILE 284.A N ILE 305.A O no hydrogen 2.777 N/A LYS 285.A N ILE 258.A O no hydrogen 2.913 N/A ARG 286.A N VAL 307.A O no hydrogen 2.872 N/A ARG 286.A NE ASP 308.A OD1 no hydrogen 2.561 N/A ARG 286.A NH1 ASP 308.A OD1 no hydrogen 3.378 N/A PHE 288.A N LYS 285.A O no hydrogen 2.727 N/A LYS 289.A N ARG 286.A O no hydrogen 3.217 N/A LYS 289.A NZ ASP 293.A OD1 no hydrogen 2.986 N/A LYS 289.A NZ ASP 293.A OD2 no hydrogen 2.766 N/A PHE 292.A N PHE 288.A O no hydrogen 2.916 N/A ASP 293.A N LYS 289.A O no hydrogen 2.847 N/A THR 294.A OG1 TRP 291.A O no hydrogen 3.273 N/A LEU 295.A N PHE 292.A O no hydrogen 3.211 N/A LYS 296.A NZ ASP 297.A OD1 no hydrogen 3.039 N/A LYS 296.A NZ ASP 297.A OD2 no hydrogen 3.294 N/A LYS 298.A N LEU 295.A O no hydrogen 2.851 N/A LEU 300.A N PRO 278.A O no hydrogen 3.008 N/A LYS 303.A N VAL 280.A O no hydrogen 2.619 N/A ILE 305.A N GLY 282.A O no hydrogen 2.800 N/A VAL 307.A N ILE 284.A O no hydrogen 2.805 N/A