Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4tug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ARG 1.A O no hydrogen 2.217 N/A SER 3.A OG SER 234.A OG no hydrogen 2.521 N/A MET 6.A N ASP 46.A OD2 no hydrogen 3.206 N/A PHE 7.A N VAL 231.A O no hydrogen 2.820 N/A VAL 8.A N VAL 47.A O no hydrogen 2.907 N/A HIS 9.A N TYR 229.A O no hydrogen 3.009 N/A ILE 10.A N LEU 49.A O no hydrogen 2.921 N/A ASP 12.A N GLY 52.A O no hydrogen 3.065 N/A ASN 13.A ND2 THR 210.A OG1 no hydrogen 3.289 N/A HIS 14.A N ASP 53.A O no hydrogen 2.954 N/A HIS 14.A ND1 ASN 56.A OD1 no hydrogen 3.060 N/A HIS 14.A NE2 ASP 12.A OD2 no hydrogen 2.635 N/A LEU 15.A N LEU 54.A O no hydrogen 2.750 N/A TYR 17.A N HIS 14.A O no hydrogen 3.089 N/A ARG 18.A NE ASN 21.A OD1 no hydrogen 3.147 N/A ARG 18.A NH1 GLU 26.A OE1 no hydrogen 2.907 N/A ARG 18.A NH2 ASN 21.A O no hydrogen 3.314 N/A ARG 18.A NH2 ASP 23.A OD2 no hydrogen 2.257 N/A ASN 21.A N ARG 18.A O no hydrogen 3.098 N/A LEU 22.A N GLN 19.A O no hydrogen 3.037 N/A ARG 25.A N LEU 22.A O no hydrogen 3.105 N/A ARG 25.A NE GLN 19.A OE1 no hydrogen 2.929 N/A ARG 25.A NH1 GLN 19.A OE1 no hydrogen 2.807 N/A ARG 25.A NH1 GLU 211.A OE1 no hydrogen 3.246 N/A ARG 25.A NH2 ASP 28.A OD2 no hydrogen 3.104 N/A ARG 25.A NH2 GLU 211.A OE1 no hydrogen 3.322 N/A ARG 25.A NH2 GLU 211.A OE2 no hydrogen 3.200 N/A GLU 26.A N LEU 22.A O no hydrogen 3.166 N/A LYS 27.A N ASP 23.A O no hydrogen 2.877 N/A LYS 27.A NZ ASP 31.A OD1 no hydrogen 2.904 N/A LYS 27.A NZ ASP 31.A OD2 no hydrogen 3.035 N/A ASP 28.A N ASP 24.A O no hydrogen 2.941 N/A ILE 29.A N ARG 25.A O no hydrogen 3.144 N/A TYR 30.A N GLU 26.A O no hydrogen 3.370 N/A TYR 30.A OH GLU 26.A OE2 no hydrogen 2.851 N/A ASP 31.A N LYS 27.A O no hydrogen 2.779 N/A SER 32.A N ASP 28.A O no hydrogen 2.975 N/A SER 32.A OG ASP 28.A O no hydrogen 3.470 N/A SER 32.A OG ILE 29.A O no hydrogen 3.171 N/A SER 32.A OG THR 210.A O no hydrogen 3.230 N/A PHE 33.A N ILE 29.A O no hydrogen 3.341 N/A LYS 34.A N TYR 30.A O no hydrogen 3.061 N/A LEU 35.A N ASP 31.A O no hydrogen 2.941 N/A CYS 36.A N SER 32.A O no hydrogen 2.943 N/A CYS 36.A SG SER 32.A O no hydrogen 3.377 N/A ILE 37.A N PHE 33.A O no hydrogen 2.830 N/A LYS 38.A N LYS 34.A O no hydrogen 2.701 N/A LYS 39.A N LEU 35.A O no hydrogen 2.946 N/A ILE 40.A N CYS 36.A O no hydrogen 2.914 N/A LEU 41.A N ILE 37.A O no hydrogen 2.945 N/A GLU 42.A N LYS 38.A O no hydrogen 2.986 N/A ILE 43.A N LYS 39.A O no hydrogen 2.912 N/A LYS 44.A N ILE 40.A O no hydrogen 2.725 N/A ASP 46.A N MET 6.A O no hydrogen 2.924 N/A VAL 47.A N MET 6.A O no hydrogen 3.374 N/A VAL 48.A N LYS 81.A O no hydrogen 2.962 N/A LEU 49.A N VAL 8.A O no hydrogen 2.725 N/A HIS 50.A N TYR 83.A O no hydrogen 2.872 N/A HIS 50.A NE2 ASN 13.A OD1 no hydrogen 2.714 N/A SER 51.A N ILE 10.A O no hydrogen 3.103 N/A SER 51.A OG HIS 9.A NE2 no hydrogen 3.227 N/A SER 51.A OG ALA 187.A O no hydrogen 2.925 N/A GLY 52.A N HIS 50.A ND1 no hydrogen 3.097 N/A ASP 53.A N GLU 90.A OE1 no hydrogen 2.679 N/A PHE 55.A N GLU 90.A OE2 no hydrogen 2.810 N/A ASN 56.A N LEU 15.A O no hydrogen 3.105 N/A LEU 65.A N PRO 61.A O no hydrogen 3.317 N/A ARG 66.A N VAL 62.A O no hydrogen 2.924 N/A ILE 67.A N LYS 63.A O no hydrogen 2.856 N/A ALA 68.A N ALA 64.A O no hydrogen 2.752 N/A MET 69.A N LEU 65.A O no hydrogen 2.897 N/A GLN 70.A N ARG 66.A O no hydrogen 2.798 N/A ALA 71.A N ILE 67.A O no hydrogen 2.968 N/A PHE 72.A N ALA 68.A O no hydrogen 3.018 N/A LYS 73.A N MET 69.A O no hydrogen 2.939 N/A LYS 74.A N GLN 70.A O no hydrogen 2.978 N/A LEU 75.A N ALA 71.A O no hydrogen 2.996 N/A HIS 76.A N PHE 72.A O no hydrogen 2.968 N/A GLU 77.A N LYS 73.A O no hydrogen 2.748 N/A ASN 78.A N LEU 75.A O no hydrogen 3.177 N/A ASN 79.A N HIS 76.A O no hydrogen 3.153 N/A ILE 80.A N LEU 75.A O no hydrogen 3.085 N/A LYS 81.A N ASP 46.A O no hydrogen 3.256 N/A TYR 83.A N VAL 48.A O no hydrogen 3.044 N/A ILE 84.A N LYS 109.A O no hydrogen 2.876 N/A VAL 85.A N HIS 50.A O no hydrogen 3.250 N/A GLY 87.A N GLU 90.A OE1 no hydrogen 2.856 N/A HIS 89.A N ASP 53.A OD2 no hydrogen 3.234 N/A GLU 90.A N GLY 87.A O no hydrogen 3.212 N/A ARG 93.A N GLU 97.A OE1 no hydrogen 3.050 N/A ARG 94.A N GLU 97.A OE1 no hydrogen 3.302 N/A GLU 97.A N ARG 94.A O no hydrogen 3.243 N/A SER 99.A OG GLU 90.A O no hydrogen 2.952 N/A LEU 101.A N SER 99.A OG no hydrogen 2.892 N/A ALA 102.A N SER 99.A O no hydrogen 2.909 N/A LEU 103.A N PRO 100.A O no hydrogen 3.062 N/A LEU 104.A N LEU 101.A O no hydrogen 2.861 N/A LYS 105.A N ALA 102.A O no hydrogen 3.111 N/A TYR 107.A N LEU 104.A O no hydrogen 2.771 N/A LYS 109.A N VAL 82.A O no hydrogen 2.710 N/A LEU 111.A N ILE 84.A O no hydrogen 2.790 N/A ASP 115.A N ILE 126.A O no hydrogen 2.720 N/A ILE 117.A N ILE 124.A O no hydrogen 2.814 N/A VAL 119.A N GLU 122.A O no hydrogen 2.841 N/A ASN 120.A ND2 ASN 120.A O no hydrogen 2.629 N/A ILE 124.A N ILE 117.A O no hydrogen 3.132 N/A PHE 125.A N LYS 156.A O no hydrogen 2.826 N/A ILE 126.A N ASP 115.A O no hydrogen 2.675 N/A CYS 127.A N ILE 158.A O no hydrogen 3.040 N/A CYS 127.A SG ILE 158.A O no hydrogen 3.862 N/A GLY 128.A N GLY 113.A O no hydrogen 3.149 N/A THR 129.A OG1 ASP 112.A OD1 no hydrogen 2.538 N/A TYR 131.A N ALA 86.A O no hydrogen 2.894 N/A HIS 132.A N GLN 163.A OE1 no hydrogen 3.031 N/A HIS 132.A ND1 TYR 130.A O no hydrogen 2.802 N/A LYS 134.A NZ TYR 173.A O no hydrogen 3.425 N/A LYS 136.A N LYS 133.A O no hydrogen 3.008 N/A ARG 137.A N LYS 134.A O no hydrogen 3.047 N/A ARG 137.A NE ASP 179.A OD1 no hydrogen 3.139 N/A ARG 137.A NH2 ASP 179.A OD1 no hydrogen 3.192 N/A ARG 137.A NH2 ASP 179.A OD2 no hydrogen 2.939 N/A MET 140.A N LYS 136.A O no hydrogen 3.097 N/A LEU 141.A N ARG 137.A O no hydrogen 2.960 N/A ASP 142.A N GLU 138.A O no hydrogen 3.505 N/A LYS 143.A N GLU 139.A O no hydrogen 3.516 N/A LYS 143.A NZ ASP 112.A OD1 no hydrogen 3.151 N/A LEU 144.A N MET 140.A O no hydrogen 2.831 N/A LYS 145.A N LEU 141.A O no hydrogen 2.834 N/A ASN 146.A N ASP 142.A O no hydrogen 2.974 N/A PHE 147.A N LYS 143.A O no hydrogen 3.091 N/A PHE 147.A N LEU 144.A O no hydrogen 3.167 N/A GLU 148.A N LEU 144.A O no hydrogen 3.132 N/A SER 149.A N LYS 145.A O no hydrogen 2.851 N/A GLU 150.A N ASN 146.A O no hydrogen 3.233 N/A ALA 151.A N GLU 148.A O no hydrogen 3.366 N/A ASN 153.A N ASN 153.A OD1 no hydrogen 2.358 N/A TYR 154.A N ALA 151.A O no hydrogen 2.887 N/A LYS 156.A NZ GLU 122.A OE1 no hydrogen 2.754 N/A LYS 156.A NZ GLU 122.A OE2 no hydrogen 3.130 N/A LYS 156.A NZ PHE 233.A O no hydrogen 3.202 N/A LYS 156.A NZ SER 234.A O no hydrogen 3.402 N/A LYS 156.A NZ GLY 235.A O no hydrogen 2.709 N/A LYS 157.A N SER 184.A OG no hydrogen 2.543 N/A LYS 157.A NZ ALA 151.A O no hydrogen 2.299 N/A LYS 157.A NZ TYR 154.A O no hydrogen 2.938 N/A ILE 158.A N PHE 125.A O no hydrogen 2.951 N/A LEU 159.A N TYR 185.A O no hydrogen 3.016 N/A MET 160.A N CYS 127.A O no hydrogen 2.750 N/A LEU 161.A N ALA 187.A O no hydrogen 2.993 N/A HIS 162.A ND1 SER 51.A O no hydrogen 2.711 N/A HIS 162.A NE2 ASN 88.A OD1 no hydrogen 2.158 N/A GLN 163.A NE2 HIS 132.A O no hydrogen 2.778 N/A GLN 163.A NE2 GLU 174.A OE1 no hydrogen 3.197 N/A GLY 164.A N GLU 174.A OE1 no hydrogen 2.658 N/A ASN 166.A N LEU 175.A O no hydrogen 2.901 N/A TYR 168.A OH GLU 197.A OE1 no hydrogen 3.140 N/A TYR 173.A OH GLU 176.A OE1 no hydrogen 3.006 N/A GLU 174.A N GLY 164.A O no hydrogen 3.021 N/A LEU 175.A N GLY 164.A O no hydrogen 3.385 N/A GLU 176.A N ASP 179.A OD1 no hydrogen 2.759 N/A ASP 179.A N GLU 176.A O no hydrogen 2.999 N/A LYS 182.A NZ ASP 201.A OD1 no hydrogen 2.863 N/A PHE 183.A N TYR 186.A OH no hydrogen 3.104 N/A SER 184.A N LYS 157.A O no hydrogen 2.561 N/A SER 184.A OG LYS 157.A O no hydrogen 2.703 N/A TYR 185.A OH HIS 9.A ND1 no hydrogen 3.167 N/A TYR 186.A N ILE 203.A O no hydrogen 3.019 N/A TYR 186.A OH PRO 181.A O no hydrogen 2.323 N/A ALA 187.A N LEU 159.A O no hydrogen 2.750 N/A LEU 188.A N ALA 205.A O no hydrogen 2.919 N/A GLY 189.A N LEU 161.A O no hydrogen 3.034 N/A HIS 190.A N ASP 12.A OD1 no hydrogen 2.761 N/A HIS 192.A ND1 GLU 217.A OE2 no hydrogen 3.176 N/A ARG 194.A N ASP 220.A OD1 no hydrogen 3.053 N/A ARG 194.A NE GLY 225.A O no hydrogen 2.537 N/A ARG 194.A NH1 PHE 228.A O no hydrogen 3.117 N/A ARG 194.A NH1 ILE 246.A O no hydrogen 3.435 N/A ARG 194.A NH2 GLY 225.A O no hydrogen 3.195 N/A ARG 194.A NH2 ILE 246.A O no hydrogen 3.214 N/A ILE 195.A N TYR 206.A O no hydrogen 3.108 N/A GLU 197.A N LEU 204.A O no hydrogen 3.074 N/A ARG 198.A NE ASP 239.A OD1 no hydrogen 3.000 N/A PHE 199.A N GLY 202.A O no hydrogen 2.919 N/A ILE 203.A N SER 184.A O no hydrogen 3.213 N/A LEU 204.A N GLU 197.A O no hydrogen 2.897 N/A ALA 205.A N TYR 186.A O no hydrogen 2.997 N/A TYR 206.A N ILE 195.A O no hydrogen 2.613 N/A TYR 206.A OH GLN 163.A O no hydrogen 3.007 N/A SER 207.A OG GLY 208.A O no hydrogen 3.150 N/A SER 209.A N HIS 192.A O no hydrogen 3.168 N/A SER 209.A OG HIS 192.A O no hydrogen 3.125 N/A SER 209.A OG GLU 211.A O no hydrogen 3.016 N/A SER 209.A OG GLU 217.A OE1 no hydrogen 2.851 N/A THR 210.A N ASP 12.A O no hydrogen 3.161 N/A ILE 212.A N GLU 211.A OE1 no hydrogen 2.697 N/A ILE 213.A N GLU 217.A OE1 no hydrogen 2.999 N/A TYR 214.A N GLU 217.A OE2 no hydrogen 2.726 N/A GLU 217.A N TYR 214.A O no hydrogen 3.336 N/A ASP 220.A N GLU 219.A OE1 no hydrogen 2.657 N/A TYR 221.A N GLU 217.A O no hydrogen 3.318 N/A TYR 221.A N TYR 218.A O no hydrogen 3.091 N/A LYS 222.A N TYR 218.A O no hydrogen 3.249 N/A LYS 223.A N GLU 219.A O no hydrogen 2.794 N/A GLU 224.A N ASP 220.A O no hydrogen 2.785 N/A GLY 225.A N ASP 220.A O no hydrogen 3.164 N/A LYS 226.A NZ HIS 192.A O no hydrogen 3.125 N/A LYS 226.A NZ SER 209.A OG no hydrogen 3.319 N/A PHE 228.A N ILE 246.A O no hydrogen 2.970 N/A TYR 229.A N HIS 9.A O no hydrogen 2.998 N/A LEU 230.A N GLU 244.A O no hydrogen 2.730 N/A VAL 231.A N PHE 7.A O no hydrogen 2.942 N/A ASP 232.A N ASP 242.A O no hydrogen 3.291 N/A SER 234.A OG SER 3.A OG no hydrogen 2.521 N/A SER 234.A OG MET 5.A O no hydrogen 3.524 N/A SER 234.A OG ASP 232.A OD2 no hydrogen 2.464 N/A ASP 239.A N ASP 242.A OD1 no hydrogen 2.753 N/A SER 241.A OG ASP 242.A OD2 no hydrogen 2.624 N/A ASP 242.A N ASP 239.A O no hydrogen 2.987 N/A ILE 243.A N ILE 240.A O no hydrogen 2.712 N/A GLU 244.A N LEU 230.A O no hydrogen 2.944 N/A LYS 245.A NZ GLU 224.A O no hydrogen 2.938 N/A LYS 245.A NZ GLU 224.A OE1 no hydrogen 2.735 N/A ILE 246.A N PHE 228.A O no hydrogen 2.793 N/A ILE 248.A N LYS 226.A O no hydrogen 2.890 N/A CYS 250.A SG ILE 248.A O no hydrogen 3.774 N/A ARG 251.A NE ASP 28.A OD2 no hydrogen 2.809 N/A ARG 251.A NH1 LYS 277.A O no hydrogen 2.787 N/A ARG 251.A NH2 ASP 28.A OD1 no hydrogen 3.100 N/A ARG 251.A NH2 ASP 28.A OD2 no hydrogen 3.207 N/A VAL 254.A N VAL 279.A O no hydrogen 3.011 N/A VAL 256.A N PHE 281.A O no hydrogen 2.755 N/A ILE 258.A N LYS 283.A O no hydrogen 3.130 N/A LYS 259.A N SER 263.A OG no hydrogen 2.662 N/A ASP 260.A N SER 263.A OG no hydrogen 2.845 N/A LYS 262.A NZ GLU 266.A OE2 no hydrogen 3.479 N/A SER 263.A N ASP 260.A OD2 no hydrogen 2.853 N/A SER 263.A OG ASP 260.A O no hydrogen 3.277 N/A SER 263.A OG ASP 260.A OD2 no hydrogen 2.822 N/A PHE 264.A N ASP 260.A O no hydrogen 3.097 N/A ASN 265.A N LYS 261.A O no hydrogen 2.905 N/A GLU 266.A N LYS 262.A O no hydrogen 2.722 N/A ALA 267.A N SER 263.A O no hydrogen 3.057 N/A VAL 268.A N PHE 264.A O no hydrogen 2.955 N/A ASN 269.A N ASN 265.A O no hydrogen 2.798 N/A LYS 270.A N GLU 266.A O no hydrogen 3.058 N/A ILE 271.A N ALA 267.A O no hydrogen 2.960 N/A GLU 272.A N VAL 268.A O no hydrogen 2.770 N/A ARG 273.A N ASN 269.A O no hydrogen 2.917 N/A CYS 274.A N ILE 271.A O no hydrogen 3.143 N/A CYS 274.A SG GLU 252.A OE1 no hydrogen 3.576 N/A CYS 274.A SG LYS 270.A O no hydrogen 3.141 N/A LYS 275.A N GLU 252.A OE2 no hydrogen 2.456 N/A ASN 276.A N GLU 252.A OE2 no hydrogen 3.071 N/A ASN 276.A ND2 GLU 249.A OE1 no hydrogen 3.174 N/A VAL 279.A N GLU 252.A O no hydrogen 3.000 N/A VAL 280.A N ILE 301.A O no hydrogen 3.082 N/A PHE 281.A N VAL 254.A O no hydrogen 3.037 N/A LYS 283.A N VAL 256.A O no hydrogen 2.854 N/A ILE 284.A N ILE 305.A O no hydrogen 2.815 N/A LYS 285.A N ILE 258.A O no hydrogen 2.993 N/A LYS 285.A NZ GLU 310.A OE2 no hydrogen 3.212 N/A ARG 286.A N VAL 307.A O no hydrogen 2.885 N/A ARG 286.A NE ASP 308.A OD1 no hydrogen 2.670 N/A PHE 288.A N LYS 285.A O no hydrogen 2.897 N/A LYS 289.A N ARG 286.A O no hydrogen 3.073 N/A LYS 289.A NZ ASP 293.A OD1 no hydrogen 2.815 N/A LYS 289.A NZ ASP 293.A OD2 no hydrogen 2.949 N/A PHE 292.A N PHE 288.A O no hydrogen 3.154 N/A PHE 292.A N LYS 289.A O no hydrogen 2.741 N/A ASP 293.A N LYS 289.A O no hydrogen 3.004 N/A THR 294.A OG1 TRP 291.A O no hydrogen 2.772 N/A LEU 295.A N PHE 292.A O no hydrogen 2.991 N/A LYS 296.A NZ ASP 297.A OD1 no hydrogen 2.569 N/A LYS 298.A N LEU 295.A O no hydrogen 2.693 N/A ILE 299.A N LYS 296.A O no hydrogen 3.482 N/A LEU 300.A N PRO 278.A O no hydrogen 2.782 N/A LYS 303.A N VAL 280.A O no hydrogen 2.635 N/A ALA 304.A N ASN 302.A OD1 no hydrogen 3.186 N/A ILE 305.A N GLY 282.A O no hydrogen 2.641 N/A VAL 307.A N ILE 284.A O no hydrogen 2.843 N/A