Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zs5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH2 PRO 92.A O no hydrogen 2.880 N/A TYR 9.A N VAL 20.A O no hydrogen 2.839 N/A TYR 9.A OH TYR 24.A O no hydrogen 2.589 N/A GLN 11.A N TRP 18.A O no hydrogen 2.970 N/A LEU 13.A N THR 16.A O no hydrogen 2.865 N/A THR 16.A N LEU 13.A O no hydrogen 3.048 N/A TRP 18.A N GLN 11.A O no hydrogen 2.882 N/A GLU 19.A N TYR 103.A OH no hydrogen 2.975 N/A VAL 20.A N TYR 9.A O no hydrogen 2.967 N/A GLU 22.A N THR 7.A O no hydrogen 2.867 N/A ARG 23.A NE ASP 43.A OD1 no hydrogen 2.884 N/A ARG 23.A NH2 ASP 43.A OD1 no hydrogen 3.433 N/A ARG 23.A NH2 ASP 43.A OD2 no hydrogen 2.773 N/A TYR 24.A N PRO 21.A O no hydrogen 3.120 N/A TYR 24.A OH ASP 88.A OD2 no hydrogen 2.520 N/A GLN 25.A N PHE 42.A O no hydrogen 2.856 N/A GLN 25.A NE2 GLU 22.A O no hydrogen 2.751 N/A SER 28.A N ALA 40.A O no hydrogen 2.893 N/A VAL 30.A N VAL 38.A O no hydrogen 2.874 N/A GLY 31.A N VAL 38.A O no hydrogen 3.355 N/A GLY 33.A N GLY 36.A O no hydrogen 2.878 N/A GLY 36.A N GLY 33.A O no hydrogen 3.270 N/A SER 37.A N LYS 54.A O no hydrogen 3.149 N/A SER 37.A OG ASN 14.A OD1 no hydrogen 3.246 N/A VAL 38.A N GLY 31.A O no hydrogen 2.859 N/A CYS 39.A N VAL 52.A O no hydrogen 2.894 N/A ALA 40.A N SER 28.A O no hydrogen 2.823 N/A ALA 41.A N VAL 50.A O no hydrogen 2.914 N/A PHE 42.A N GLN 25.A O no hydrogen 2.856 N/A ASP 43.A N LEU 48.A O no hydrogen 2.869 N/A THR 44.A N ARG 23.A O no hydrogen 2.936 N/A THR 44.A OG1 ARG 23.A O no hydrogen 3.008 N/A LYS 45.A N ASP 43.A OD1 no hydrogen 3.126 N/A THR 46.A N ASP 43.A O no hydrogen 3.340 N/A THR 46.A OG1 ASP 43.A O no hydrogen 3.551 N/A THR 46.A OG1 ASP 43.A OD2 no hydrogen 2.731 N/A GLY 47.A N ASP 43.A O no hydrogen 2.869 N/A LEU 48.A N THR 46.A OG1 no hydrogen 3.306 N/A VAL 50.A N ALA 41.A O no hydrogen 2.850 N/A ALA 51.A N THR 106.A O no hydrogen 2.811 N/A VAL 52.A N CYS 39.A O no hydrogen 2.761 N/A LYS 53.A N LEU 104.A O no hydrogen 2.806 N/A LYS 53.A NZ.A GLU 71.A OE2 no hydrogen 2.826 N/A LYS 53.A NZ.B GLU 71.A OE2 no hydrogen 2.745 N/A LYS 54.A N SER 37.A O no hydrogen 2.899 N/A LYS 54.A NZ THR 16.A OG1 no hydrogen 2.988 N/A LYS 54.A NZ ILE 17.A O no hydrogen 2.760 N/A LEU 55.A N VAL 102.A O no hydrogen 3.081 N/A SER 56.A N TYR 35.A O no hydrogen 2.866 N/A ARG 57.A NH1 GLN 60.A OE1 no hydrogen 2.935 N/A GLN 60.A N ARG 57.A O no hydrogen 3.260 N/A HIS 64.A N SER 61.A OG no hydrogen 3.100 N/A ALA 65.A N SER 61.A O no hydrogen 2.886 N/A LYS 66.A N ILE 62.A O no hydrogen 2.868 N/A LYS 66.A NZ GLU 316.A O no hydrogen 2.800 N/A LYS 66.A NZ ARG 318.A O no hydrogen 2.930 N/A ARG 67.A N ILE 63.A O no hydrogen 3.000 N/A THR 68.A N HIS 64.A O no hydrogen 2.882 N/A THR 68.A OG1 PRO 58.A O no hydrogen 2.880 N/A THR 68.A OG1 HIS 64.A O no hydrogen 2.993 N/A TYR 69.A N ALA 65.A O no hydrogen 2.956 N/A ARG 70.A N LYS 66.A O no hydrogen 2.896 N/A ARG 70.A NE GLU 316.A OE2 no hydrogen 2.820 N/A ARG 70.A NH2 GLU 316.A OE1 no hydrogen 2.781 N/A GLU 71.A N ARG 67.A O no hydrogen 2.971 N/A LEU 72.A N THR 68.A O no hydrogen 3.022 N/A ARG 73.A N TYR 69.A O no hydrogen 2.803 N/A ARG 73.A NH1 TYR 69.A OH no hydrogen 3.056 N/A ARG 73.A NH1 ASP 312.A O no hydrogen 3.553 N/A ARG 73.A NH2 ASP 312.A O no hydrogen 2.846 N/A LEU 74.A N ARG 70.A O no hydrogen 2.950 N/A LEU 75.A N GLU 71.A O no hydrogen 2.970 N/A LYS 76.A N LEU 72.A O no hydrogen 2.892 N/A LYS 76.A NZ GLU 332.A O no hydrogen 2.796 N/A LYS 76.A NZ GLU 332.A OE1 no hydrogen 2.727 N/A HIS 77.A N ARG 73.A O no hydrogen 3.066 N/A HIS 77.A N LEU 74.A O no hydrogen 3.092 N/A HIS 77.A NE2 ASP 309.A O no hydrogen 2.692 N/A MET 78.A N LEU 74.A O no hydrogen 3.072 N/A LYS 79.A N TYR 140.A OH no hydrogen 2.932 N/A ASN 82.A N HIS 80.A ND1 no hydrogen 2.914 N/A ASN 82.A ND2 LEU 164.A O no hydrogen 3.007 N/A VAL 83.A N HIS 80.A O no hydrogen 3.169 N/A ILE 84.A N ILE 166.A O no hydrogen 3.047 N/A LEU 87.A N VAL 105.A O no hydrogen 2.817 N/A ASP 88.A N VAL 105.A O no hydrogen 3.425 N/A PHE 90.A N TYR 103.A O no hydrogen 3.007 N/A THR 91.A OG1 ASP 101.A O no hydrogen 2.832 N/A ALA 93.A N THR 91.A OG1 no hydrogen 3.292 N/A ARG 94.A N GLU 98.A OE1 no hydrogen 2.985 N/A SER 95.A OG GLU 97.A OE1 no hydrogen 3.400 N/A GLU 98.A N SER 95.A OG no hydrogen 3.293 N/A PHE 99.A N LEU 96.A O no hydrogen 3.184 N/A TYR 103.A N PHE 90.A O no hydrogen 3.000 N/A LEU 104.A N LYS 53.A O no hydrogen 2.880 N/A VAL 105.A N ASP 88.A O no hydrogen 2.842 N/A THR 106.A N ALA 51.A O no hydrogen 3.006 N/A THR 106.A OG1 GLY 85.A O no hydrogen 2.662 N/A LEU 108.A N ARG 49.A O.A no hydrogen 3.021 N/A LEU 108.A N ARG 49.A O.B no hydrogen 3.071 N/A ASP 112.A N ASN 115.A OD1 no hydrogen 2.948 N/A LEU 113.A N PRO 153.A O no hydrogen 3.339 N/A ASN 115.A N ASP 112.A OD1 no hydrogen 2.693 N/A ILE 116.A N ASP 112.A O no hydrogen 3.119 N/A VAL 117.A N LEU 113.A O no hydrogen 2.887 N/A LYS 118.A N ASN 114.A O no hydrogen 2.840 N/A GLN 120.A N VAL 117.A O no hydrogen 3.239 N/A LEU 122.A N LEU 204.A O no hydrogen 2.961 N/A HIS 126.A N THR 123.A OG1 no hydrogen 3.229 N/A VAL 127.A N THR 123.A O no hydrogen 2.951 N/A GLN 128.A N ASP 124.A O no hydrogen 2.903 N/A GLN 128.A NE2 ASP 124.A OD2 no hydrogen 2.799 N/A PHE 129.A N ASP 125.A O no hydrogen 3.197 N/A LEU 130.A N HIS 126.A O no hydrogen 3.038 N/A ILE 131.A N VAL 127.A O no hydrogen 2.880 N/A TYR 132.A N GLN 128.A O no hydrogen 2.879 N/A TYR 132.A OH GLU 305.A OE2 no hydrogen 2.618 N/A GLN 133.A N PHE 129.A O no hydrogen 3.177 N/A GLN 133.A NE2 PHE 129.A O no hydrogen 3.337 N/A GLN 133.A NE2 CYS 162.A O no hydrogen 3.012 N/A ILE 134.A N LEU 130.A O no hydrogen 3.094 N/A LEU 135.A N ILE 131.A O no hydrogen 2.929 N/A ARG 136.A N TYR 132.A O no hydrogen 2.852 N/A ARG 136.A NE ASP 304.A O no hydrogen 2.811 N/A ARG 136.A NH1 GLU 81.A OE1 no hydrogen 2.803 N/A ARG 136.A NH1 ASN 82.A OD1 no hydrogen 2.862 N/A ARG 136.A NH2 GLU 81.A OE1 no hydrogen 3.196 N/A ARG 136.A NH2 GLU 81.A OE2 no hydrogen 3.558 N/A ARG 136.A NH2 ASP 304.A O no hydrogen 3.011 N/A ARG 136.A NH2 ASP 304.A OD1 no hydrogen 3.173 N/A GLY 137.A N GLN 133.A O no hydrogen 2.965 N/A LEU 138.A N ILE 134.A O no hydrogen 2.825 N/A LYS 139.A N LEU 135.A O no hydrogen 2.761 N/A LYS 139.A NZ GLU 305.A O no hydrogen 2.764 N/A TYR 140.A N ARG 136.A O no hydrogen 3.342 N/A TYR 140.A OH HIS 77.A O no hydrogen 3.174 N/A ILE 141.A N GLY 137.A O no hydrogen 2.877 N/A HIS 142.A N LEU 138.A O no hydrogen 2.776 N/A HIS 142.A NE2 ASP 193.A OD2 no hydrogen 2.844 N/A SER 143.A N LYS 139.A O no hydrogen 2.973 N/A SER 143.A OG TYR 140.A O no hydrogen 2.622 N/A ALA 144.A N ILE 141.A O no hydrogen 3.024 N/A ASP 145.A N HIS 142.A O no hydrogen 2.889 N/A ILE 146.A N ILE 141.A O no hydrogen 3.425 N/A HIS 148.A N ASP 193.A OD2 no hydrogen 2.879 N/A HIS 148.A NE2 LEU 167.A O no hydrogen 2.784 N/A ARG 149.A N ASP 193.A OD1 no hydrogen 2.880 N/A ASP 150.A N HIS 148.A ND1 no hydrogen 3.094 N/A LYS 152.A NZ ASP 150.A OD1 no hydrogen 3.348 N/A LYS 152.A NZ ASP 150.A OD2 no hydrogen 2.774 N/A LYS 152.A NZ THR 173.A O no hydrogen 2.949 N/A ASN 155.A N LYS 152.A O no hydrogen 2.931 N/A LEU 156.A N PRO 153.A O no hydrogen 3.203 N/A ALA 157.A N LYS 165.A O no hydrogen 2.894 N/A VAL 158.A N ALA 111.A O no hydrogen 3.016 N/A ASN 159.A N GLU 163.A O no hydrogen 3.026 N/A ASN 159.A ND2 GLU 163.A OE1 no hydrogen 3.120 N/A ASP 161.A N ASN 159.A OD1 no hydrogen 2.987 N/A CYS 162.A SG.A HIS 126.A NE2 no hydrogen 3.253 N/A CYS 162.A SG.B HIS 126.A NE2 no hydrogen 3.304 N/A CYS 162.A SG.B ASP 161.A O no hydrogen 4.017 N/A CYS 162.A SG.B CYS 162.A O no hydrogen 2.880 N/A GLU 163.A N ASN 159.A OD1 no hydrogen 2.902 N/A LEU 164.A N GLN 133.A OE1 no hydrogen 2.877 N/A LYS 165.A N ALA 157.A O no hydrogen 2.894 N/A LYS 165.A NZ GLU 81.A O no hydrogen 2.898 N/A LYS 165.A NZ VAL 83.A O no hydrogen 3.274 N/A ILE 166.A N ASN 82.A O no hydrogen 2.804 N/A LEU 167.A N ASN 155.A O no hydrogen 2.751 N/A TRP 175.A N ALA 172.A O no hydrogen 3.431 N/A TRP 175.A NE1 GLY 213.A O no hydrogen 2.864 N/A TYR 176.A OH GLU 203.A OE1 no hydrogen 2.644 N/A ARG 177.A N ARG 174.A O no hydrogen 3.137 N/A ARG 177.A NE ASP 150.A OD1 no hydrogen 2.898 N/A ARG 177.A NH2 ASP 150.A OD2 no hydrogen 3.189 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.648 N/A ILE 181.A N ALA 178.A O no hydrogen 2.943 N/A MET 182.A N.A ALA 178.A O no hydrogen 3.130 N/A MET 182.A N.B ALA 178.A O no hydrogen 3.079 N/A LEU 183.A N PRO 179.A O no hydrogen 3.051 N/A ASN 184.A N ILE 181.A O no hydrogen 3.260 N/A TRP 185.A N GLU 180.A O no hydrogen 2.976 N/A ASN 189.A ND2 SER 281.A OG no hydrogen 2.704 N/A ASN 189.A ND2 ASP 282.A OD1 no hydrogen 2.899 N/A GLN 190.A NE2 HIS 142.A O no hydrogen 2.828 N/A THR 191.A OG1 SER 281.A O no hydrogen 2.754 N/A VAL 192.A N ASN 189.A O no hydrogen 2.995 N/A ASP 193.A N GLN 190.A O no hydrogen 3.021 N/A TRP 195.A N THR 191.A O no hydrogen 3.179 N/A SER 196.A OG TYR 176.A O no hydrogen 2.667 N/A SER 196.A OG VAL 192.A O no hydrogen 3.517 N/A VAL 197.A N ASP 193.A O no hydrogen 3.023 N/A GLY 198.A N ILE 194.A O no hydrogen 2.950 N/A CYS 199.A N TRP 195.A O no hydrogen 3.016 N/A CYS 199.A SG TRP 175.A O no hydrogen 4.046 N/A CYS 199.A SG TRP 195.A O no hydrogen 3.541 N/A ILE 200.A N SER 196.A O no hydrogen 2.954 N/A MET 201.A N VAL 197.A O no hydrogen 2.779 N/A ALA 202.A N GLY 198.A O no hydrogen 2.907 N/A GLU 203.A N CYS 199.A O no hydrogen 3.278 N/A LEU 204.A N ILE 200.A O no hydrogen 2.939 N/A LEU 205.A N MET 201.A O no hydrogen 3.080 N/A THR 206.A N ALA 202.A O no hydrogen 3.019 N/A THR 206.A OG1 ALA 202.A O no hydrogen 3.014 N/A GLY 207.A N GLU 203.A O no hydrogen 2.773 N/A ARG 208.A N THR 206.A OG1 no hydrogen 3.049 N/A GLY 213.A N PHE 211.A O no hydrogen 2.849 N/A GLY 213.A N GLN 219.A OE1.B no hydrogen 2.909 N/A THR 214.A N ASP 218.A OD2 no hydrogen 2.904 N/A ASP 218.A N ASP 215.A OD1 no hydrogen 2.829 N/A GLN 219.A N ASP 215.A O no hydrogen 3.068 N/A GLN 219.A NE2.A TRP 175.A O no hydrogen 3.328 N/A LEU 220.A N HIS 216.A O no hydrogen 3.186 N/A LYS 221.A N ILE 217.A O no hydrogen 2.854 N/A LEU 222.A N ASP 218.A O no hydrogen 2.881 N/A ILE 223.A N GLN 219.A O no hydrogen 3.017 N/A LEU 224.A N LEU 220.A O no hydrogen 2.938 N/A ARG 225.A N LYS 221.A O no hydrogen 3.046 N/A LEU 226.A N LEU 222.A O no hydrogen 3.356 N/A VAL 227.A N ILE 223.A O no hydrogen 3.032 N/A GLY 228.A N LEU 224.A O no hydrogen 2.795 N/A THR 229.A N MET 253.A O no hydrogen 3.067 N/A THR 229.A OG1 MET 253.A O no hydrogen 3.429 N/A LEU 235.A N GLY 231.A O no hydrogen 3.047 N/A LYS 236.A N ALA 232.A O no hydrogen 3.085 N/A LYS 237.A N LEU 234.A O no hydrogen 3.071 N/A LYS 237.A NZ ASP 280.A OD1 no hydrogen 3.081 N/A LYS 237.A NZ ASP 280.A OD2 no hydrogen 2.830 N/A LYS 237.A NZ ASP 282.A OD2 no hydrogen 2.752 N/A ILE 238.A N LEU 235.A O no hydrogen 3.268 N/A ALA 243.A N SER 240.A OG no hydrogen 3.281 N/A ARG 244.A N SER 240.A O no hydrogen 3.085 N/A ARG 244.A NH1 ILE 238.A O no hydrogen 2.803 N/A ARG 244.A NH1 SER 239.A O no hydrogen 3.110 N/A ASN 245.A N GLU 241.A O no hydrogen 3.050 N/A ASN 245.A ND2 ASN 245.A O no hydrogen 2.964 N/A TYR 246.A N SER 242.A O no hydrogen 2.916 N/A ILE 247.A N ALA 243.A O no hydrogen 3.020 N/A GLN 248.A N ARG 244.A O no hydrogen 2.968 N/A SER 249.A N ASN 245.A O no hydrogen 3.140 N/A SER 249.A N TYR 246.A O no hydrogen 3.095 N/A SER 249.A OG ASN 245.A O no hydrogen 2.637 N/A LEU 250.A N ILE 247.A O no hydrogen 3.102 N/A MET 253.A N THR 229.A OG1 no hydrogen 3.169 N/A LYS 255.A NZ GLU 274.A OE2 no hydrogen 2.759 N/A MET 256.A N LEU 226.A O no hydrogen 2.815 N/A ASN 260.A N ASN 257.A O no hydrogen 2.865 N/A VAL 261.A N ASN 257.A O no hydrogen 2.972 N/A PHE 262.A N PHE 258.A O no hydrogen 2.795 N/A ILE 263.A N ASN 260.A O no hydrogen 3.230 N/A ALA 265.A N PHE 262.A O no hydrogen 2.997 N/A ASN 266.A ND2 ASP 124.A OD2 no hydrogen 2.936 N/A LEU 268.A N ASN 266.A OD1 no hydrogen 2.934 N/A ALA 269.A N ASN 266.A O no hydrogen 2.860 N/A VAL 270.A N ASN 266.A O no hydrogen 3.111 N/A ASP 271.A N PRO 267.A O no hydrogen 2.906 N/A LEU 272.A N LEU 268.A O no hydrogen 3.030 N/A LEU 273.A N ALA 269.A O no hydrogen 2.915 N/A GLU 274.A N VAL 270.A O no hydrogen 2.913 N/A LYS 275.A N ASP 271.A O no hydrogen 3.169 N/A LYS 275.A N LEU 272.A O no hydrogen 2.943 N/A LYS 275.A NZ ASP 271.A OD2 no hydrogen 2.778 N/A MET 276.A N LEU 272.A O no hydrogen 2.978 N/A MET 276.A N LEU 273.A O no hydrogen 3.120 N/A LEU 277.A N LEU 273.A O no hydrogen 2.912 N/A ASP 282.A N ASP 280.A OD1 no hydrogen 3.181 N/A LYS 283.A N ASP 280.A O no hydrogen 2.980 N/A ARG 284.A N SER 281.A O no hydrogen 3.485 N/A ARG 284.A NE VAL 278.A O no hydrogen 2.748 N/A ARG 284.A NH1 GLU 180.A OE2 no hydrogen 2.764 N/A ARG 284.A NH1 THR 191.A O no hydrogen 3.094 N/A ARG 284.A NH2 GLU 180.A OE1 no hydrogen 2.909 N/A ARG 284.A NH2 GLU 180.A OE2 no hydrogen 3.350 N/A ARG 284.A NH2 VAL 278.A O no hydrogen 3.419 N/A ARG 284.A NH2 LEU 279.A O no hydrogen 2.987 N/A ILE 285.A N LYS 275.A O no hydrogen 3.018 N/A THR 286.A N GLN 289.A OE1 no hydrogen 3.022 N/A GLN 289.A N THR 286.A OG1 no hydrogen 3.091 N/A ALA 290.A N THR 286.A O no hydrogen 2.832 N/A LEU 291.A N ALA 287.A O no hydrogen 3.023 N/A ALA 292.A N GLN 289.A O no hydrogen 3.172 N/A HIS 293.A N ALA 290.A O no hydrogen 3.039 N/A HIS 293.A NE2 ASP 271.A OD2 no hydrogen 2.702 N/A TYR 295.A N HIS 293.A ND1 no hydrogen 3.031 N/A TYR 295.A OH ASP 124.A OD1 no hydrogen 2.753 N/A PHE 296.A N HIS 293.A O no hydrogen 3.072 N/A ALA 297.A N ALA 294.A O no hydrogen 3.138 N/A GLN 298.A NE2.A TYR 295.A O no hydrogen 2.882 N/A GLN 298.A NE2.B ASP 125.A OD1 no hydrogen 3.199 N/A GLN 298.A NE2.B GLN 128.A OE1 no hydrogen 2.145 N/A TYR 299.A N PHE 296.A O no hydrogen 2.870 N/A HIS 300.A N PHE 296.A O no hydrogen 2.793 N/A HIS 300.A ND1 GLU 305.A OE2 no hydrogen 2.760 N/A ASP 301.A N GLU 305.A OE2 no hydrogen 3.090 N/A ASP 303.A N ASP 301.A OD1 no hydrogen 3.008 N/A ASP 304.A N ASP 301.A O no hydrogen 2.900 N/A ALA 308.A N SER 143.A OG no hydrogen 2.733 N/A GLN 313.A NE2 ASP 145.A O no hydrogen 3.037 N/A SER 314.A N ASP 312.A OD1 no hydrogen 2.864 N/A SER 314.A OG ASP 312.A OD1 no hydrogen 2.641 N/A GLU 316.A N GLN 313.A O no hydrogen 2.959 N/A SER 317.A N SER 314.A O no hydrogen 3.183 N/A SER 317.A OG SER 314.A O no hydrogen 2.975 N/A ARG 318.A N PHE 315.A O no hydrogen 3.067 N/A ARG 318.A NE SER 314.A O no hydrogen 3.305 N/A LEU 321.A N GLU 324.A OE1 no hydrogen 2.939 N/A GLU 324.A N LEU 321.A O no hydrogen 3.052 N/A TRP 325.A N LEU 321.A O no hydrogen 3.096 N/A LYS 326.A N ILE 322.A O no hydrogen 2.877 N/A LYS 326.A NZ PHE 99.A O no hydrogen 2.716 N/A SER 327.A N ASP 323.A O no hydrogen 2.922 N/A LEU 328.A N GLU 324.A O no hydrogen 2.915 N/A THR 329.A N TRP 325.A O no hydrogen 2.928 N/A THR 329.A OG1 TRP 325.A O no hydrogen 2.865 N/A TYR 330.A N LYS 326.A O no hydrogen 2.797 N/A ASP 331.A N SER 327.A O no hydrogen 2.840 N/A GLU 332.A N LEU 328.A O no hydrogen 3.241 N/A VAL 333.A N THR 329.A O no hydrogen 2.988 N/A ILE 334.A N TYR 330.A O no hydrogen 3.095 N/A SER 335.A N ASP 331.A O no hydrogen 3.043 N/A SER 335.A OG ASP 331.A O no hydrogen 3.139 N/A SER 335.A OG GLU 332.A O no hydrogen 3.451 N/A PHE 336.A N VAL 333.A O no hydrogen 3.343 N/A