Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxy_Cz.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N THR 1.A O no hydrogen 2.895 N/A GLU 6.A N ALA 2.A O no hydrogen 2.855 N/A ARG 7.A N SER 3.A O no hydrogen 2.918 N/A LEU 8.A N ASP 4.A O no hydrogen 2.939 N/A LEU 9.A N PHE 5.A O no hydrogen 2.891 N/A LEU 10.A N GLU 6.A O no hydrogen 2.886 N/A GLY 11.A N ARG 7.A O no hydrogen 2.932 N/A GLN 12.A N LEU 8.A O no hydrogen 2.826 N/A SER 15.A N GLN 12.A O no hydrogen 3.376 N/A SER 15.A OG GLN 12.A O no hydrogen 3.267 N/A SER 15.A OG SER 15.A O no hydrogen 2.374 N/A SER 16.A N GLU 53.A OE2 no hydrogen 2.756 N/A SER 16.A OG GLU 53.A O no hydrogen 2.742 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.728 N/A TRP 19.A N SER 15.A O no hydrogen 2.966 N/A TRP 19.A NE1 PRO 13.A O no hydrogen 2.924 N/A ILE 20.A N SER 16.A O no hydrogen 2.850 N/A ALA 21.A N GLU 17.A O no hydrogen 2.901 N/A TYR 22.A N LEU 18.A O no hydrogen 2.863 N/A MET 23.A N TRP 19.A O no hydrogen 2.938 N/A ALA 24.A N ILE 20.A O no hydrogen 2.767 N/A SER 25.A N ALA 21.A O no hydrogen 2.881 N/A SER 25.A OG ALA 21.A O no hydrogen 2.720 N/A GLN 26.A N TYR 22.A O no hydrogen 2.984 N/A MET 27.A N MET 23.A O no hydrogen 2.841 N/A GLN 28.A N ALA 24.A O no hydrogen 2.867 N/A VAL 29.A N SER 25.A O no hydrogen 2.929 N/A ASN 30.A ND2 MET 27.A O no hydrogen 2.495 N/A ALA 35.A N ASP 31.A O no hydrogen 2.987 N/A ARG 36.A N LEU 32.A O no hydrogen 2.876 N/A GLN 37.A N SER 33.A O no hydrogen 2.927 N/A ILE 38.A N SER 34.A O no hydrogen 2.883 N/A ALA 39.A N ALA 35.A O no hydrogen 3.003 N/A GLU 40.A N ARG 36.A O no hydrogen 2.884 N/A ARG 41.A N GLN 37.A O no hydrogen 2.909 N/A ALA 42.A N ILE 38.A O no hydrogen 2.810 N/A LEU 43.A N ALA 39.A O no hydrogen 2.962 N/A LYS 44.A N GLU 40.A O no hydrogen 2.968 N/A LYS 44.A NZ GLU 40.A OE2 no hydrogen 3.180 N/A THR 45.A N ARG 41.A O no hydrogen 2.833 N/A THR 45.A OG1 ARG 41.A O no hydrogen 2.788 N/A ILE 46.A N ALA 42.A O no hydrogen 2.912 N/A ILE 48.A N ASN 47.A OD1 no hydrogen 2.859 N/A ARG 49.A NE ARG 49.A O no hydrogen 3.032 N/A LYS 54.A N GLU 50.A O no hydrogen 3.023 N/A LYS 54.A NZ ASN 85.A OD1 no hydrogen 2.719 N/A LEU 55.A N GLU 51.A O no hydrogen 2.902 N/A ASN 56.A N THR 52.A O no hydrogen 2.931 N/A VAL 57.A N GLU 53.A O no hydrogen 3.064 N/A TRP 58.A N LYS 54.A O no hydrogen 2.898 N/A ILE 59.A N LEU 55.A O no hydrogen 2.857 N/A ALA 60.A N ASN 56.A O no hydrogen 2.960 N/A TYR 61.A N VAL 57.A O no hydrogen 2.931 N/A LEU 62.A N TRP 58.A O no hydrogen 2.946 N/A ASN 63.A N ILE 59.A O no hydrogen 2.908 N/A LEU 64.A N ALA 60.A O no hydrogen 2.894 N/A GLU 65.A N TYR 61.A O no hydrogen 2.943 N/A VAL 66.A N LEU 62.A O no hydrogen 2.944 N/A ALA 67.A N ASN 63.A O no hydrogen 2.937 N/A TYR 68.A N LEU 64.A O no hydrogen 2.910 N/A GLY 69.A N GLU 65.A O no hydrogen 2.985 N/A THR 70.A OG1 GLU 72.A OE2 no hydrogen 3.427 N/A THR 73.A OG1 GLU 65.A OE1 no hydrogen 3.384 N/A VAL 74.A N THR 70.A O no hydrogen 2.987 N/A GLN 75.A N ASP 71.A O no hydrogen 3.034 N/A GLU 76.A N GLU 72.A O no hydrogen 2.974 N/A VAL 77.A N THR 73.A O no hydrogen 2.942 N/A PHE 78.A N VAL 74.A O no hydrogen 2.911 N/A LYS 79.A N GLN 75.A O no hydrogen 2.937 N/A ARG 80.A N GLU 76.A O no hydrogen 3.014 N/A ARG 80.A NH1 GLU 40.A OE2 no hydrogen 2.702 N/A ALA 81.A N VAL 77.A O no hydrogen 2.825 N/A CYS 82.A N PHE 78.A O no hydrogen 2.948 N/A CYS 82.A SG PHE 78.A O no hydrogen 3.110 N/A CYS 82.A SG HIS 91.A NE2 no hydrogen 3.456 N/A THR 83.A N LYS 79.A O no hydrogen 2.946 N/A TYR 84.A N ARG 80.A O no hydrogen 2.956 N/A ASN 85.A N ALA 81.A O no hydrogen 2.916 N/A ASN 85.A ND2 ALA 81.A O no hydrogen 2.612 N/A ARG 88.A NH1 GLU 89.A OE2 no hydrogen 2.611 N/A ARG 88.A NH2 GLU 89.A OE2 no hydrogen 3.045 N/A VAL 90.A N ASP 86.A O no hydrogen 2.993 N/A HIS 91.A N ASP 87.A O no hydrogen 2.954 N/A GLU 92.A N ARG 88.A O no hydrogen 2.919 N/A ARG 93.A N GLU 89.A O no hydrogen 2.899 N/A ARG 93.A NH1 GLU 92.A OE1 no hydrogen 2.829 N/A ARG 93.A NH2 GLU 92.A OE1 no hydrogen 2.613 N/A LEU 94.A N VAL 90.A O no hydrogen 2.944 N/A ALA 95.A N HIS 91.A O no hydrogen 2.894 N/A SER 96.A N GLU 92.A O no hydrogen 2.962 N/A ILE 97.A N ARG 93.A O no hydrogen 2.861 N/A TYR 98.A N LEU 94.A O no hydrogen 2.918 N/A ILE 99.A N ALA 95.A O no hydrogen 2.901 N/A GLN 100.A N SER 96.A O no hydrogen 2.899 N/A GLN 100.A NE2 SER 96.A O no hydrogen 3.028 N/A SER 101.A N ILE 97.A O no hydrogen 2.859 N/A SER 101.A OG ILE 97.A O no hydrogen 3.129 N/A LYS 103.A NZ VAL 66.A O no hydrogen 3.041 N/A ALA 107.A N LYS 103.A O no hydrogen 2.898 N/A GLU 108.A N TYR 104.A O no hydrogen 2.857 N/A ASP 109.A N LYS 105.A O no hydrogen 3.006 N/A LEU 110.A N GLU 106.A O no hydrogen 2.996 N/A PHE 111.A N ALA 107.A O no hydrogen 2.843 N/A GLU 112.A N GLU 108.A O no hydrogen 2.886 N/A LYS 113.A N ASP 109.A O no hydrogen 2.945 N/A ILE 114.A N LEU 110.A O no hydrogen 2.912 N/A VAL 115.A N PHE 111.A O no hydrogen 2.985 N/A LYS 116.A N GLU 112.A O no hydrogen 2.944 N/A LYS 117.A N LYS 113.A O no hydrogen 2.948 N/A TYR 118.A N ILE 114.A O no hydrogen 2.951 N/A TYR 118.A OH ASP 87.A OD2 no hydrogen 3.117 N/A ALA 122.A N TYR 118.A O no hydrogen 3.378 N/A TRP 126.A NE1 GLY 119.A O no hydrogen 3.277 N/A TYR 127.A N PRO 123.A O no hydrogen 2.977 N/A ASN 128.A N HIS 124.A O no hydrogen 2.848 N/A TYR 129.A N VAL 125.A O no hydrogen 2.941 N/A TYR 129.A OH GLU 112.A OE1 no hydrogen 2.386 N/A TYR 129.A OH GLU 112.A OE2 no hydrogen 3.048 N/A ALA 130.A N TRP 126.A O no hydrogen 2.975 N/A HIS 131.A N TYR 127.A O no hydrogen 2.820 N/A PHE 132.A N ASN 128.A O no hydrogen 2.882 N/A LEU 133.A N TYR 129.A O no hydrogen 3.048 N/A HIS 134.A N ALA 130.A O no hydrogen 2.887 N/A THR 135.A N HIS 131.A O no hydrogen 2.856 N/A THR 135.A OG1 HIS 131.A O no hydrogen 2.763 N/A THR 135.A OG1 PHE 132.A O no hydrogen 2.827 N/A SER 137.A N PHE 132.A O no hydrogen 3.500 N/A SER 137.A OG GLU 108.A OE1 no hydrogen 3.391 N/A SER 137.A OG PHE 132.A O no hydrogen 3.536 N/A ASN 138.A N THR 135.A O no hydrogen 2.977 N/A LYS 139.A N LEU 133.A O no hydrogen 2.959 N/A GLN 142.A N GLN 142.A OE1 no hydrogen 2.554 N/A ALA 143.A N LYS 139.A O no hydrogen 2.932 N/A ARG 144.A N PRO 140.A O no hydrogen 2.950 N/A ARG 144.A NE PRO 140.A O no hydrogen 2.953 N/A ALA 145.A N GLU 141.A O no hydrogen 2.957 N/A LEU 146.A N GLN 142.A O no hydrogen 2.868 N/A LEU 147.A N ALA 143.A O no hydrogen 2.878 N/A LYS 148.A N ARG 144.A O no hydrogen 2.974 N/A LYS 148.A NZ ARG 144.A O no hydrogen 3.318 N/A ARG 149.A N ALA 145.A O no hydrogen 2.937 N/A ALA 150.A N LEU 146.A O no hydrogen 2.735 N/A THR 151.A N LEU 147.A O no hydrogen 2.937 N/A GLN 152.A N LYS 148.A O no hydrogen 2.973 N/A VAL 153.A N ARG 149.A O no hydrogen 2.840 N/A LEU 154.A N ALA 150.A O no hydrogen 2.951 N/A LYS 158.A NZ TYR 194.A OH no hydrogen 2.991 N/A THR 160.A N ASP 159.A OD1 no hydrogen 2.636 N/A THR 160.A OG1 GLY 155.A O no hydrogen 2.517 N/A THR 160.A OG1 THR 157.A O no hydrogen 2.804 N/A TYR 161.A N THR 157.A O no hydrogen 3.008 N/A LEU 162.A N LYS 158.A O no hydrogen 2.866 N/A LEU 164.A N THR 160.A O no hydrogen 2.908 N/A LEU 165.A N TYR 161.A O no hydrogen 3.070 N/A LYS 167.A N TYR 163.A O no hydrogen 3.380 N/A PHE 168.A N LEU 164.A O no hydrogen 2.992 N/A ALA 169.A N LEU 165.A O no hydrogen 2.958 N/A ALA 170.A N PRO 166.A O no hydrogen 2.827 N/A LEU 171.A N LYS 167.A O no hydrogen 2.937 N/A GLU 172.A N PHE 168.A O no hydrogen 2.914 N/A PHE 173.A N ALA 169.A O no hydrogen 2.899 N/A ARG 174.A N LEU 171.A O no hydrogen 3.319 N/A SER 175.A N LEU 171.A O no hydrogen 2.914 N/A SER 175.A OG LEU 171.A O no hydrogen 3.139 N/A SER 175.A OG ASN 177.A OD1 no hydrogen 3.303 N/A ASN 177.A ND2 HIS 134.A O no hydrogen 2.680 N/A GLY 178.A N SER 175.A O no hydrogen 2.992 N/A ASP 179.A N PRO 176.A O no hydrogen 3.194 N/A GLU 181.A N ASP 179.A OD2 no hydrogen 3.150 N/A GLY 183.A N ASP 179.A O no hydrogen 3.050 N/A ARG 184.A N ARG 180.A O no hydrogen 2.828 N/A ARG 184.A NH1 GLU 181.A OE1 no hydrogen 2.453 N/A THR 185.A N GLU 181.A O no hydrogen 2.860 N/A THR 185.A OG1 GLU 181.A O no hydrogen 2.416 N/A LEU 186.A N GLN 182.A O no hydrogen 2.962 N/A PHE 187.A N GLY 183.A O no hydrogen 2.975 N/A GLU 188.A N ARG 184.A O no hydrogen 2.827 N/A LYS 189.A N THR 185.A O no hydrogen 2.978 N/A LEU 190.A N LEU 186.A O no hydrogen 2.885 N/A LEU 191.A N PHE 187.A O no hydrogen 2.913 N/A ALA 192.A N GLU 188.A O no hydrogen 2.920 N/A THR 193.A N LYS 189.A O no hydrogen 2.911 N/A TYR 194.A N LEU 190.A O no hydrogen 2.924 N/A TRP 201.A N ARG 197.A O no hydrogen 2.983 N/A TRP 201.A NE1 PRO 195.A O no hydrogen 3.330 N/A ASN 202.A N PHE 198.A O no hydrogen 2.815 N/A GLN 203.A N ASP 199.A O no hydrogen 2.856 N/A LEU 204.A N LEU 200.A O no hydrogen 2.919 N/A LEU 205.A N TRP 201.A O no hydrogen 2.919 N/A ASP 206.A N ASN 202.A O no hydrogen 2.849 N/A LEU 207.A N GLN 203.A O no hydrogen 2.937 N/A GLU 208.A N LEU 204.A O no hydrogen 2.935 N/A THR 209.A N LEU 205.A O no hydrogen 2.891 N/A THR 209.A OG1 LEU 205.A O no hydrogen 2.349 N/A THR 209.A OG1 ASP 206.A O no hydrogen 3.171 N/A SER 212.A N PRO 218.A O no hydrogen 2.997 N/A SER 213.A N PRO 218.A O no hydrogen 3.315 N/A SER 213.A OG ASP 220.A OD1 no hydrogen 3.385 N/A LYS 216.A N SER 213.A O no hydrogen 3.052 N/A ASN 217.A N SER 213.A O no hydrogen 2.583 N/A ILE 224.A N ASP 220.A O no hydrogen 2.985 N/A ARG 225.A N PRO 221.A O no hydrogen 2.873 N/A ARG 225.A NE GLU 253.A OE2 no hydrogen 3.446 N/A ARG 225.A NH1 GLU 253.A OE2 no hydrogen 3.358 N/A ASP 226.A N SER 222.A O no hydrogen 2.967 N/A LEU 227.A N VAL 223.A O no hydrogen 2.860 N/A PHE 228.A N ILE 224.A O no hydrogen 2.918 N/A GLU 229.A N ARG 225.A O no hydrogen 2.965 N/A ARG 230.A N ASP 226.A O no hydrogen 2.923 N/A GLY 231.A N LEU 227.A O no hydrogen 2.844 N/A THR 232.A N PHE 228.A O no hydrogen 2.963 N/A THR 232.A OG1 PHE 228.A O no hydrogen 3.274 N/A THR 232.A OG1 GLU 229.A O no hydrogen 2.345 N/A LYS 233.A N ARG 230.A O no hydrogen 2.928 N/A LYS 233.A NZ GLU 229.A O no hydrogen 3.208 N/A LYS 233.A NZ GLU 229.A OE1 no hydrogen 3.367 N/A LYS 233.A NZ GLU 229.A OE2 no hydrogen 3.014 N/A LYS 233.A NZ THR 232.A OG1 no hydrogen 2.497 N/A ARG 238.A N GLN 241.A OE1 no hydrogen 3.329 N/A ARG 238.A NE GLN 241.A OE1 no hydrogen 3.494 N/A ALA 242.A N ARG 238.A O no hydrogen 2.921 N/A LYS 243.A N PRO 239.A O no hydrogen 2.894 N/A LYS 243.A NZ PRO 239.A O no hydrogen 3.180 N/A ALA 244.A N ARG 240.A O no hydrogen 2.913 N/A TRP 245.A N GLN 241.A O no hydrogen 2.896 N/A PHE 246.A N ALA 242.A O no hydrogen 2.928 N/A ARG 247.A N LYS 243.A O no hydrogen 2.886 N/A ARG 248.A N ALA 244.A O no hydrogen 2.905 N/A TRP 249.A N TRP 245.A O no hydrogen 2.911 N/A TRP 249.A NE1 GLU 253.A OE2 no hydrogen 3.097 N/A ALA 250.A N PHE 246.A O no hydrogen 2.901 N/A GLN 251.A N ARG 247.A O no hydrogen 2.872 N/A TRP 252.A N ARG 248.A O no hydrogen 2.939 N/A GLU 253.A N TRP 249.A O no hydrogen 2.935 N/A GLU 254.A N ALA 250.A O no hydrogen 2.898 N/A LYS 255.A N GLN 251.A O no hydrogen 2.934 N/A PHE 256.A N TRP 252.A O no hydrogen 2.861 N/A GLY 257.A N GLU 253.A O no hydrogen 2.875 N/A SER 261.A OG GLU 253.A OE1 no hydrogen 2.421 N/A SER 261.A OG ASP 258.A O no hydrogen 2.802 N/A SER 261.A OG ASP 258.A OD2 no hydrogen 3.342 N/A ARG 262.A N ASP 258.A O no hydrogen 2.920 N/A ARG 262.A NE GLU 254.A OE2 no hydrogen 3.554 N/A GLU 263.A N ALA 259.A O no hydrogen 2.873 N/A LYS 264.A N LYS 260.A O no hydrogen 2.895 N/A VAL 265.A N SER 261.A O no hydrogen 2.830 N/A SER 266.A N ARG 262.A O no hydrogen 3.007 N/A SER 266.A OG ARG 262.A O no hydrogen 3.401 N/A SER 266.A OG GLU 263.A O no hydrogen 2.573 N/A ALA 267.A N GLU 263.A O no hydrogen 2.879 N/A LYS 268.A N LYS 264.A O no hydrogen 2.827 N/A LYS 268.A NZ GLU 229.A OE1 no hydrogen 3.343 N/A LYS 268.A NZ GLU 229.A OE2 no hydrogen 3.117 N/A ALA 269.A N VAL 265.A O no hydrogen 2.872 N/A GLN 270.A N SER 266.A O no hydrogen 2.982 N/A GLN 270.A NE2 ALA 267.A O no hydrogen 2.924 N/A GLU 271.A N ALA 267.A O no hydrogen 2.936 N/A TRP 272.A N LYS 268.A O no hydrogen 2.891 N/A ALA 273.A N ALA 269.A O no hydrogen 2.889 N/A ARG 274.A N GLN 270.A O no hydrogen 2.954 N/A