Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r3z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 10.A N ASP 8.A OD1 no hydrogen 2.912 N/A PHE 13.A N PHE 10.A O no hydrogen 2.887 N/A GLY 14.A N VAL 29.A O no hydrogen 2.824 N/A GLU 16.A N ALA 27.A O no hydrogen 2.841 N/A ILE 18.A N ILE 25.A O no hydrogen 2.814 N/A THR 20.A OG1 GLY 23.A O no hydrogen 2.590 N/A SER 21.A N GLU 96.A OE1 no hydrogen 2.782 N/A SER 21.A OG GLU 96.A OE1 no hydrogen 3.298 N/A SER 21.A OG GLU 96.A OE2 no hydrogen 2.784 N/A SER 22.A N THR 20.A OG1 no hydrogen 2.947 N/A GLY 23.A N THR 20.A O no hydrogen 3.385 N/A ARG 24.A N ASP 74.A OD1 no hydrogen 2.794 N/A ARG 24.A NE ASP 74.A OD1 no hydrogen 2.865 N/A ARG 24.A NH1 ASP 74.A OD2 no hydrogen 2.813 N/A ILE 25.A N ILE 18.A O no hydrogen 2.865 N/A PHE 26.A N SER 73.A OG no hydrogen 2.911 N/A ALA 27.A N GLU 16.A O no hydrogen 2.906 N/A ARG 28.A N VAL 64.A O no hydrogen 2.922 N/A ARG 28.A NE GLY 14.A O no hydrogen 2.997 N/A ARG 28.A NH1 ASP 8.A OD1 no hydrogen 3.045 N/A ARG 28.A NH1 PHE 13.A O no hydrogen 2.772 N/A ARG 28.A NH2 ASP 8.A OD1 no hydrogen 2.845 N/A VAL 29.A N GLY 14.A O no hydrogen 3.149 N/A GLY 30.A N VAL 62.A O no hydrogen 2.951 N/A LEU 36.A N LYS 61.A O no hydrogen 2.897 N/A LEU 37.A N ALA 107.A O no hydrogen 2.926 N/A LEU 38.A N ILE 63.A O no hydrogen 2.799 N/A LEU 39.A N ALA 109.A O no hydrogen 2.887 N/A HIS 40.A ND1 GLY 41.A O no hydrogen 2.886 N/A PHE 42.A N ASP 112.A OD1 no hydrogen 2.819 N/A GLN 44.A N GLY 41.A O no hydrogen 2.953 N/A GLN 44.A NE2 GLU 286.A OE2 no hydrogen 2.718 N/A HIS 46.A N ASP 66.A OD1 no hydrogen 2.849 N/A HIS 46.A ND1 ASP 66.A OD1 no hydrogen 2.800 N/A MET 48.A N THR 45.A O no hydrogen 3.085 N/A TRP 49.A N HIS 46.A O no hydrogen 3.295 N/A HIS 50.A N VAL 47.A O no hydrogen 2.898 N/A VAL 52.A N TRP 49.A O no hydrogen 3.074 N/A ALA 53.A N TRP 49.A O no hydrogen 2.779 N/A LYS 55.A NZ ASP 290.A OD2 no hydrogen 3.302 N/A LEU 56.A N VAL 52.A O no hydrogen 3.249 N/A ALA 57.A N ALA 53.A O no hydrogen 2.807 N/A GLU 58.A N LYS 55.A O no hydrogen 3.232 N/A ARG 59.A N LEU 56.A O no hydrogen 3.193 N/A ARG 59.A NH2 SER 301.A OG no hydrogen 2.672 N/A ARG 59.A NH2 ALA 303.A O no hydrogen 3.541 N/A PHE 60.A N LEU 56.A O no hydrogen 3.004 N/A LYS 61.A N PRO 34.A O no hydrogen 2.942 N/A LYS 61.A NZ HIS 103.A NE2 no hydrogen 2.677 N/A VAL 62.A N GLY 30.A O no hydrogen 2.702 N/A ILE 63.A N LEU 36.A O no hydrogen 2.846 N/A VAL 64.A N ARG 28.A O no hydrogen 2.764 N/A ALA 65.A N LEU 38.A O no hydrogen 3.224 N/A ASP 66.A N PHE 26.A O no hydrogen 2.876 N/A LEU 67.A N HIS 40.A NE2 no hydrogen 3.026 N/A GLY 69.A N ASP 74.A O no hydrogen 2.951 N/A TYR 70.A N LEU 67.A O no hydrogen 2.841 N/A TYR 70.A OH ASP 220.A OD1 no hydrogen 2.643 N/A TRP 72.A N.A ASP 66.A OD2 no hydrogen 2.809 N/A TRP 72.A N.B ASP 66.A OD2 no hydrogen 2.849 N/A SER 73.A N TYR 70.A O no hydrogen 2.988 N/A SER 73.A OG ASP 66.A O no hydrogen 2.762 N/A ASP 74.A N ARG 24.A O no hydrogen 2.952 N/A SER 78.A OG GLU 219.A OE1 no hydrogen 2.563 N/A ASP 79.A N SER 78.A OG no hydrogen 2.848 N/A GLN 81.A N ASP 79.A OD2 no hydrogen 2.948 N/A HIS 82.A N ASP 79.A O no hydrogen 2.896 N/A HIS 82.A ND1 GLU 219.A OE1 no hydrogen 2.755 N/A THR 83.A N ASP 79.A OD2 no hydrogen 2.936 N/A THR 83.A OG1 ASP 79.A OD1 no hydrogen 2.797 N/A THR 83.A OG1 ASP 79.A OD2 no hydrogen 3.009 N/A TYR 85.A N HIS 82.A O no hydrogen 2.942 N/A TYR 85.A OH PRO 76.A O no hydrogen 2.598 N/A THR 86.A N THR 83.A O no hydrogen 3.073 N/A THR 86.A OG1 THR 83.A O no hydrogen 2.675 N/A LYS 87.A N ASP 228.A OD1 no hydrogen 2.833 N/A LYS 87.A NZ TYR 85.A O no hydrogen 2.972 N/A LYS 87.A NZ ASP 220.A O no hydrogen 3.540 N/A LYS 87.A NZ ASP 220.A OD2 no hydrogen 2.766 N/A LYS 87.A NZ ASP 228.A OD2 no hydrogen 2.776 N/A ARG 88.A NE ASP 124.A OD2 no hydrogen 2.879 N/A ARG 88.A NH1 ASP 124.A OD1 no hydrogen 2.998 N/A ALA 89.A N THR 86.A OG1 no hydrogen 3.116 N/A MET 90.A N THR 86.A O no hydrogen 2.926 N/A ALA 91.A N LYS 87.A O no hydrogen 2.916 N/A LYS 92.A N ARG 88.A O no hydrogen 3.191 N/A GLN 93.A N ALA 89.A O no hydrogen 2.949 N/A GLN 93.A NE2 THR 20.A OG1 no hydrogen 3.352 N/A GLN 93.A NE2 GLY 23.A O no hydrogen 3.173 N/A LEU 94.A N MET 90.A O no hydrogen 2.898 N/A ILE 95.A N ALA 91.A O no hydrogen 2.898 N/A GLU 96.A N LYS 92.A O no hydrogen 3.054 N/A ALA 97.A N GLN 93.A O no hydrogen 3.076 N/A MET 98.A N LEU 94.A O no hydrogen 2.888 N/A GLU 99.A N ILE 95.A O no hydrogen 2.920 N/A GLN 100.A N GLU 96.A O no hydrogen 2.900 N/A LEU 101.A N ALA 97.A O no hydrogen 3.173 N/A GLY 102.A N GLU 99.A O no hydrogen 2.990 N/A HIS 103.A N MET 98.A O no hydrogen 2.863 N/A PHE 106.A N ARG 128.A O no hydrogen 2.909 N/A ALA 107.A N PRO 35.A O no hydrogen 3.032 N/A LEU 108.A N LYS 131.A O no hydrogen 3.114 N/A ALA 109.A N LEU 37.A O no hydrogen 2.868 N/A GLY 110.A N ALA 133.A O no hydrogen 3.024 N/A HIS 111.A N LEU 39.A O no hydrogen 2.853 N/A HIS 111.A NE2 HIS 282.A O no hydrogen 2.820 N/A ASP 112.A N LEU 135.A O no hydrogen 3.358 N/A ARG 113.A N ASP 112.A OD1 no hydrogen 2.749 N/A ARG 113.A NE ASP 220.A OD2 no hydrogen 2.928 N/A ARG 113.A NH2 ASP 220.A O no hydrogen 3.304 N/A ARG 113.A NH2 ASP 220.A OD2 no hydrogen 2.899 N/A GLY 114.A N HIS 111.A O no hydrogen 2.941 N/A ARG 116.A N ASP 112.A O no hydrogen 3.193 N/A ARG 116.A NH1 LEU 138.A O no hydrogen 3.429 N/A ARG 116.A NH2 LEU 138.A O no hydrogen 2.841 N/A ARG 116.A NH2 THR 140.A OG1 no hydrogen 2.906 N/A VAL 117.A N ARG 113.A O no hydrogen 3.000 N/A SER 118.A N GLY 114.A O no hydrogen 2.897 N/A SER 118.A OG GLY 114.A O no hydrogen 2.777 N/A TYR 119.A N ALA 115.A O no hydrogen 2.951 N/A TYR 119.A OH ASP 232.A OD1 no hydrogen 3.254 N/A TYR 119.A OH ASP 232.A OD2 no hydrogen 2.467 N/A ARG 120.A N ARG 116.A O no hydrogen 3.031 N/A ARG 120.A NH1 ASP 124.A OD1 no hydrogen 2.997 N/A ARG 120.A NH1 ASP 235.A OD2 no hydrogen 2.726 N/A ARG 120.A NH2 ASP 232.A OD1 no hydrogen 2.847 N/A ARG 120.A NH2 ASP 235.A OD2 no hydrogen 2.902 N/A LEU 121.A N VAL 117.A O no hydrogen 2.867 N/A ALA 122.A N SER 118.A O no hydrogen 2.971 N/A LEU 123.A N TYR 119.A O no hydrogen 2.933 N/A ASP 124.A N ARG 120.A O no hydrogen 2.832 N/A SER 125.A N LEU 121.A O no hydrogen 2.720 N/A ARG 128.A N SER 125.A O no hydrogen 3.029 N/A ARG 128.A NH1 GLU 99.A OE2 no hydrogen 3.029 N/A ARG 128.A NH2 GLU 99.A OE2 no hydrogen 2.746 N/A ARG 128.A NH2 VAL 104.A O no hydrogen 3.142 N/A LEU 129.A N PRO 126.A O no hydrogen 3.103 N/A SER 130.A N PHE 106.A O no hydrogen 2.964 N/A SER 130.A OG PHE 106.A O no hydrogen 3.440 N/A LYS 131.A NZ PHE 299.A O no hydrogen 2.853 N/A LYS 131.A NZ PHE 300.A O no hydrogen 3.466 N/A LEU 132.A N PRO 245.A O no hydrogen 3.019 N/A ALA 133.A N LEU 108.A O no hydrogen 2.861 N/A VAL 134.A N LEU 247.A O no hydrogen 2.874 N/A LEU 135.A N GLY 110.A O no hydrogen 2.812 N/A ASP 136.A N LEU 249.A O no hydrogen 2.782 N/A THR 140.A N TYR 119.A OH no hydrogen 2.883 N/A TYR 141.A N ASP 232.A OD2 no hydrogen 3.022 N/A TYR 143.A N PRO 139.A O no hydrogen 3.118 N/A TRP 144.A N THR 140.A O no hydrogen 3.155 N/A TRP 144.A NE1 GLY 224.A O no hydrogen 2.972 N/A GLN 145.A N TYR 141.A O no hydrogen 2.903 N/A ARG 146.A N GLU 142.A O no hydrogen 3.218 N/A ARG 146.A N TYR 143.A O no hydrogen 3.330 N/A ARG 146.A NE GLU 142.A OE1 no hydrogen 3.340 N/A ARG 146.A NH1 GLU 142.A OE1 no hydrogen 3.252 N/A MET 147.A N TRP 144.A O no hydrogen 3.086 N/A ASN 148.A N ARG 146.A O no hydrogen 2.963 N/A TYR 151.A N ASN 148.A OD1 no hydrogen 2.927 N/A TYR 151.A OH ILE 255.A O no hydrogen 3.383 N/A ALA 152.A N ASN 148.A O no hydrogen 2.836 N/A LEU 153.A N ARG 149.A O no hydrogen 3.016 N/A LYS 154.A N ALA 150.A O no hydrogen 2.983 N/A ILE 155.A N TYR 151.A O no hydrogen 2.791 N/A TRP 158.A N ILE 155.A O no hydrogen 3.045 N/A SER 159.A N.A TYR 156.A O no hydrogen 3.065 N/A SER 159.A N.B TYR 156.A O no hydrogen 3.104 N/A SER 159.A OG.B TYR 156.A O no hydrogen 3.120 N/A PHE 160.A N TYR 156.A O no hydrogen 3.123 N/A LEU 161.A N HIS 157.A O no hydrogen 2.919 N/A GLN 163.A N PHE 160.A O no hydrogen 3.154 N/A GLN 163.A NE2 SER 159.A O.A no hydrogen 2.799 N/A GLN 163.A NE2 SER 159.A O.B no hydrogen 3.018 N/A LEU 167.A N PRO 164.A O no hydrogen 3.054 N/A GLU 169.A N GLU 169.A OE2 no hydrogen 2.822 N/A ASN 170.A N PRO 166.A O no hydrogen 2.891 N/A LEU 171.A N LEU 167.A O no hydrogen 3.171 N/A LEU 172.A N PRO 168.A O no hydrogen 2.859 N/A GLY 173.A N GLU 169.A O no hydrogen 3.135 N/A GLY 174.A N LEU 171.A O no hydrogen 2.892 N/A PHE 178.A N ASP 175.A OD1 no hydrogen 3.285 N/A TYR 179.A N ASP 175.A O no hydrogen 3.098 N/A TYR 179.A OH TYR 156.A OH no hydrogen 2.693 N/A VAL 180.A N PRO 176.A O no hydrogen 3.076 N/A LYS 181.A N ASP 177.A O no hydrogen 3.190 N/A ALA 182.A N PHE 178.A O no hydrogen 2.867 N/A LYS 183.A N TYR 179.A O no hydrogen 2.923 N/A LYS 183.A NZ TYR 156.A OH no hydrogen 2.480 N/A LEU 184.A N VAL 180.A O no hydrogen 2.970 N/A ALA 185.A N LYS 181.A O no hydrogen 2.984 N/A SER 186.A N ALA 182.A O no hydrogen 2.882 N/A SER 186.A OG ALA 182.A O no hydrogen 3.141 N/A SER 186.A OG LYS 183.A O no hydrogen 3.292 N/A TRP 187.A N LYS 183.A O no hydrogen 3.370 N/A THR 188.A N ALA 185.A O no hydrogen 3.256 N/A THR 188.A OG1 ALA 185.A O no hydrogen 2.805 N/A THR 188.A OG1 ASP 192.A O no hydrogen 3.183 N/A ARG 189.A N GLU 287.A OE1 no hydrogen 2.917 N/A GLY 191.A N THR 188.A OG1 no hydrogen 2.939 N/A SER 194.A N ASP 192.A OD1 no hydrogen 2.788 N/A SER 194.A OG ASP 192.A OD1 no hydrogen 2.635 N/A SER 194.A OG ASP 192.A OD2 no hydrogen 3.545 N/A PHE 196.A N LEU 193.A O no hydrogen 3.107 N/A ARG 199.A N ASP 197.A OD2 no hydrogen 2.937 N/A ARG 199.A NE ASP 197.A OD1 no hydrogen 3.363 N/A ARG 199.A NE ASP 197.A OD2 no hydrogen 2.953 N/A ARG 199.A NH1 ASP 197.A OD1 no hydrogen 2.840 N/A VAL 201.A N ASP 197.A O no hydrogen 3.043 N/A GLU 202.A N PRO 198.A O no hydrogen 3.006 N/A HIS 203.A N ARG 199.A O no hydrogen 3.276 N/A HIS 203.A NE2 ALA 7.A O no hydrogen 2.906 N/A TYR 204.A N ALA 200.A O no hydrogen 3.006 N/A TYR 204.A OH GLU 286.A OE1 no hydrogen 2.626 N/A ARG 205.A N VAL 201.A O no hydrogen 2.796 N/A ARG 205.A NE GLU 202.A OE2 no hydrogen 2.869 N/A ARG 205.A NH1 GLU 202.A OE1 no hydrogen 2.940 N/A ARG 205.A NH2 ASP 177.A OD1 no hydrogen 3.273 N/A ARG 205.A NH2 ASP 177.A OD2 no hydrogen 3.275 N/A ILE 206.A N GLU 202.A O no hydrogen 2.896 N/A ALA 207.A N HIS 203.A O no hydrogen 3.197 N/A PHE 208.A N TYR 204.A O no hydrogen 2.943 N/A ALA 209.A N ARG 205.A O no hydrogen 2.936 N/A ALA 209.A N ILE 206.A O no hydrogen 3.283 N/A ASP 210.A N ALA 207.A O no hydrogen 3.255 N/A MET 212.A N ASP 210.A OD1 no hydrogen 2.955 N/A ARG 213.A NH1 SER 73.A O no hydrogen 3.117 N/A ARG 213.A NH2 GLY 69.A O no hydrogen 2.790 N/A ARG 213.A NH2 SER 73.A O no hydrogen 2.655 N/A ARG 214.A N ASP 210.A O no hydrogen 2.962 N/A ARG 214.A NH2 PHE 208.A O no hydrogen 2.781 N/A HIS 215.A N PRO 211.A O no hydrogen 2.870 N/A HIS 215.A ND1 GLU 169.A OE1 no hydrogen 2.680 N/A VAL 216.A N MET 212.A O no hydrogen 3.137 N/A MET 217.A N ARG 213.A O no hydrogen 3.176 N/A CYS 218.A N ARG 214.A O no hydrogen 3.061 N/A CYS 218.A SG ARG 214.A O no hydrogen 3.565 N/A GLU 219.A N HIS 215.A O no hydrogen 2.906 N/A ASP 220.A N VAL 216.A O no hydrogen 2.982 N/A TYR 221.A N MET 217.A O no hydrogen 3.009 N/A ARG 222.A N CYS 218.A O no hydrogen 2.803 N/A ARG 222.A NE GLN 163.A O no hydrogen 2.871 N/A ARG 222.A NH1 GLN 163.A O no hydrogen 2.874 N/A ARG 222.A NH1 GLU 169.A OE1 no hydrogen 3.233 N/A ARG 222.A NH1 GLU 169.A OE2 no hydrogen 2.893 N/A ARG 222.A NH2 GLU 169.A OE1 no hydrogen 2.857 N/A ARG 222.A NH2 GLU 219.A OE2 no hydrogen 2.884 N/A ALA 223.A N GLU 219.A O no hydrogen 2.868 N/A GLY 224.A N ASP 220.A O no hydrogen 2.846 N/A ALA 225.A N TYR 221.A O no hydrogen 3.008 N/A ALA 225.A N ARG 222.A O no hydrogen 3.092 N/A TYR 226.A N ARG 222.A O no hydrogen 3.140 N/A TYR 226.A N ALA 223.A O no hydrogen 3.204 N/A ASP 228.A N ALA 223.A O no hydrogen 2.806 N/A GLU 230.A N TYR 226.A O no hydrogen 3.012 N/A HIS 231.A N ALA 227.A O no hydrogen 2.837 N/A ASP 232.A N ASP 228.A O no hydrogen 3.108 N/A LYS 233.A N PHE 229.A O no hydrogen 2.969 N/A LYS 233.A NZ GLU 237.A OE2 no hydrogen 3.196 N/A ILE 234.A N GLU 230.A O no hydrogen 3.116 N/A ASP 235.A N HIS 231.A O no hydrogen 3.344 N/A VAL 236.A N ASP 232.A O no hydrogen 2.923 N/A GLU 237.A N LYS 233.A O no hydrogen 2.921 N/A ALA 238.A N ILE 234.A O no hydrogen 3.056 N/A GLY 239.A N VAL 236.A O no hydrogen 3.252 N/A ASN 240.A N ASP 235.A O no hydrogen 2.920 N/A ASN 240.A ND2 ASP 235.A OD1 no hydrogen 2.839 N/A LYS 241.A NZ ARG 267.A O no hydrogen 2.811 N/A ILE 242.A N TRP 269.A O no hydrogen 2.820 N/A MET 246.A N ASP 272.A O no hydrogen 2.928 N/A LEU 247.A N LEU 132.A O no hydrogen 2.842 N/A ALA 248.A N GLN 274.A O no hydrogen 2.868 N/A LEU 249.A N VAL 134.A O no hydrogen 2.983 N/A TRP 250.A N ALA 276.A O no hydrogen 3.236 N/A GLY 251.A N ASP 136.A OD2 no hydrogen 2.914 N/A ALA 252.A N ILE 278.A O no hydrogen 2.801 N/A SER 253.A N SER 280.A O no hydrogen 3.080 N/A GLY 254.A N GLY 251.A O no hydrogen 2.975 N/A ILE 255.A N ASP 136.A OD1 no hydrogen 2.914 N/A GLN 257.A NE2 GLY 254.A O no hydrogen 2.848 N/A SER 258.A N ILE 255.A O no hydrogen 3.050 N/A ALA 259.A N ALA 256.A O no hydrogen 3.269 N/A TRP 266.A N PRO 262.A O no hydrogen 2.963 N/A TRP 266.A NE1 ILE 137.A O no hydrogen 2.891 N/A ARG 267.A N LEU 263.A O no hydrogen 2.889 N/A ARG 267.A NH2 ASP 264.A OD1 no hydrogen 3.084 N/A LYS 268.A N VAL 265.A O no hydrogen 3.030 N/A LYS 268.A NZ GLU 142.A OE2 no hydrogen 2.727 N/A TRP 269.A N TRP 266.A O no hydrogen 2.848 N/A TRP 269.A NE1 GLU 142.A OE2 no hydrogen 2.778 N/A SER 271.A N.A ILE 242.A O no hydrogen 2.969 N/A SER 271.A N.B ILE 242.A O no hydrogen 2.960 N/A SER 271.A OG.A ILE 242.A O no hydrogen 3.245 N/A GLN 274.A N MET 246.A O no hydrogen 2.884 N/A ALA 276.A N ALA 248.A O no hydrogen 3.036 N/A ILE 278.A N TRP 250.A O no hydrogen 2.814 N/A GLU 279.A N GLN 291.A OE1 no hydrogen 3.087 N/A SER 280.A OG GLY 281.A O no hydrogen 2.770 N/A GLY 281.A N GLU 287.A OE1 no hydrogen 2.860 N/A HIS 282.A N TRP 187.A O no hydrogen 2.883 N/A HIS 282.A ND1 ASP 136.A OD1 no hydrogen 2.663 N/A PHE 283.A N GLU 287.A OE2 no hydrogen 2.972 N/A LEU 284.A N HIS 282.A O no hydrogen 3.029 N/A GLU 286.A N PHE 283.A O no hydrogen 2.979 N/A GLU 287.A N PHE 283.A O no hydrogen 2.846 N/A ALA 288.A N LEU 284.A O no hydrogen 2.950 N/A THR 292.A N ALA 288.A O no hydrogen 2.972 N/A THR 292.A OG1 LEU 284.A O no hydrogen 3.168 N/A THR 292.A OG1 ALA 288.A O no hydrogen 2.813 N/A ALA 293.A N PRO 289.A O no hydrogen 2.844 N/A GLU 294.A N ASP 290.A O no hydrogen 2.944 N/A ALA 295.A N GLN 291.A O no hydrogen 2.978 N/A LEU 296.A N THR 292.A O no hydrogen 2.988 N/A VAL 297.A N ALA 293.A O no hydrogen 2.841 N/A ARG 298.A N GLU 294.A O no hydrogen 2.914 N/A ARG 298.A NE ALA 303.A O no hydrogen 3.355 N/A ARG 298.A NH1 ALA 303.A O no hydrogen 2.833 N/A ARG 298.A NH2 GLU 294.A OE2 no hydrogen 3.085 N/A PHE 299.A N ALA 295.A O no hydrogen 2.995 N/A PHE 300.A N LEU 296.A O no hydrogen 2.968 N/A SER 301.A N VAL 297.A O no hydrogen 2.737 N/A SER 301.A OG ALA 303.A O no hydrogen 3.542 N/A ALA 303.A N SER 301.A OG no hydrogen 3.013 N/A