Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w88_R.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N SER 1.A O no hydrogen 2.980 N/A ALA 6.A N ASN 2.A O no hydrogen 2.897 N/A SER 7.A N ASP 3.A O no hydrogen 2.882 N/A SER 7.A OG ASP 3.A O no hydrogen 3.107 N/A SER 7.A OG VAL 4.A O no hydrogen 2.598 N/A LEU 8.A N VAL 4.A O no hydrogen 2.965 N/A TYR 9.A N ARG 5.A O no hydrogen 2.895 N/A TYR 9.A OH GLU 68.A OE2 no hydrogen 2.743 N/A SER 10.A N ALA 6.A O no hydrogen 2.894 N/A LEU 11.A N SER 7.A O no hydrogen 2.917 N/A MET 12.A N LEU 8.A O no hydrogen 2.957 N/A VAL 13.A N TYR 9.A O no hydrogen 2.889 N/A LEU 14.A N SER 10.A O no hydrogen 2.858 N/A ILE 15.A N LEU 11.A O no hydrogen 2.967 N/A ILE 16.A N MET 12.A O no hydrogen 2.923 N/A LEU 17.A N VAL 13.A O no hydrogen 2.877 N/A THR 18.A N LEU 14.A O no hydrogen 2.903 N/A THR 18.A OG1 LEU 14.A O no hydrogen 2.691 N/A THR 19.A N ILE 15.A O no hydrogen 2.936 N/A THR 19.A OG1 ILE 15.A O no hydrogen 2.728 N/A THR 19.A OG1 THR 263.A OG1 no hydrogen 2.748 N/A LEU 20.A N ILE 16.A O no hydrogen 2.963 N/A VAL 21.A N LEU 17.A O no hydrogen 2.870 N/A GLY 22.A N THR 18.A O no hydrogen 2.931 N/A ASN 23.A N THR 19.A O no hydrogen 2.981 N/A ASN 23.A ND2 THR 19.A O no hydrogen 2.845 N/A ASN 23.A ND2 SER 262.A O no hydrogen 3.448 N/A LEU 24.A N LEU 20.A O no hydrogen 2.893 N/A ILE 25.A N VAL 21.A O no hydrogen 2.901 N/A VAL 26.A N GLY 22.A O no hydrogen 2.981 N/A ILE 27.A N ASN 23.A O no hydrogen 2.876 N/A VAL 28.A N LEU 24.A O no hydrogen 2.925 N/A SER 29.A N ILE 25.A O no hydrogen 2.900 N/A SER 29.A OG ILE 25.A O no hydrogen 2.519 N/A ILE 30.A N VAL 26.A O no hydrogen 2.954 N/A SER 31.A N ILE 27.A O no hydrogen 2.944 N/A SER 31.A OG ILE 27.A O no hydrogen 2.854 N/A HIS 32.A N VAL 28.A O no hydrogen 2.899 N/A PHE 33.A N SER 29.A O no hydrogen 3.392 N/A LYS 34.A NZ HIS 32.A O no hydrogen 3.026 N/A HIS 37.A N LYS 34.A O no hydrogen 3.151 N/A HIS 37.A NE2 SER 31.A O no hydrogen 3.021 N/A THR 40.A OG1 ASP 102.A OD1 no hydrogen 3.541 N/A THR 40.A OG1 ASP 102.A OD2 no hydrogen 2.552 N/A THR 40.A OG1 TYR 113.A OH no hydrogen 2.912 N/A ASN 41.A ND2 LEU 36.A O no hydrogen 2.913 N/A TRP 42.A N THR 38.A O no hydrogen 3.122 N/A LEU 43.A N PRO 39.A O no hydrogen 2.991 N/A ILE 44.A N THR 40.A O no hydrogen 2.996 N/A HIS 45.A N ASN 41.A O no hydrogen 2.845 N/A HIS 45.A NE2 SER 31.A OG no hydrogen 2.955 N/A SER 46.A N TRP 42.A O no hydrogen 2.929 N/A SER 46.A OG HIS 95.A NE2 no hydrogen 2.753 N/A MET 47.A N LEU 43.A O no hydrogen 2.954 N/A ALA 48.A N ILE 44.A O no hydrogen 2.894 N/A THR 49.A N HIS 45.A O no hydrogen 2.923 N/A THR 49.A OG1 HIS 45.A O no hydrogen 2.904 N/A VAL 50.A N SER 46.A O no hydrogen 2.952 N/A ASP 51.A N MET 47.A O no hydrogen 2.963 N/A PHE 52.A N ALA 48.A O no hydrogen 2.876 N/A LEU 53.A N THR 49.A O no hydrogen 2.941 N/A LEU 54.A N VAL 50.A O no hydrogen 2.918 N/A GLY 55.A N ASP 51.A O no hydrogen 2.907 N/A CYS 56.A N PHE 52.A O no hydrogen 2.956 N/A CYS 56.A SG PHE 52.A O no hydrogen 3.623 N/A LEU 57.A N LEU 53.A O no hydrogen 2.866 N/A VAL 58.A N LEU 54.A O no hydrogen 3.301 N/A MET 59.A N LEU 54.A O no hydrogen 3.051 N/A SER 62.A N VAL 58.A O no hydrogen 3.281 N/A SER 62.A OG VAL 58.A O no hydrogen 3.311 N/A SER 62.A OG MET 59.A O no hydrogen 2.519 N/A MET 63.A N MET 59.A O no hydrogen 2.883 N/A VAL 64.A N PRO 60.A O no hydrogen 2.940 N/A ARG 65.A N TYR 61.A O no hydrogen 2.904 N/A SER 66.A N SER 62.A O no hydrogen 2.855 N/A SER 66.A OG SER 62.A O no hydrogen 2.809 N/A ALA 67.A N MET 63.A O no hydrogen 2.940 N/A GLU 68.A N VAL 64.A O no hydrogen 2.903 N/A TRP 71.A NE1 GLY 74.A O no hydrogen 2.828 N/A TYR 72.A OH GLU 68.A OE1 no hydrogen 2.669 N/A CYS 78.A N GLY 74.A O no hydrogen 3.201 N/A ILE 80.A N VAL 76.A O no hydrogen 3.000 N/A HIS 81.A N PHE 77.A O no hydrogen 2.815 N/A HIS 81.A NE2 VAL 58.A O no hydrogen 2.946 N/A THR 82.A N CYS 78.A O no hydrogen 2.934 N/A THR 82.A OG1 CYS 78.A O no hydrogen 2.905 N/A SER 83.A N LYS 79.A O no hydrogen 2.913 N/A SER 83.A OG LYS 79.A O no hydrogen 2.717 N/A THR 84.A N ILE 80.A O no hydrogen 2.900 N/A THR 84.A OG1 ILE 80.A O no hydrogen 2.706 N/A ASP 85.A N HIS 81.A O no hydrogen 2.862 N/A ILE 86.A N THR 82.A O no hydrogen 2.988 N/A MET 87.A N SER 83.A O no hydrogen 2.877 N/A LEU 88.A N THR 84.A O no hydrogen 2.895 N/A SER 89.A N ASP 85.A O no hydrogen 2.967 N/A SER 89.A OG ASP 85.A O no hydrogen 2.890 N/A SER 90.A N ILE 86.A O no hydrogen 2.950 N/A SER 90.A OG ILE 86.A O no hydrogen 2.833 N/A SER 90.A OG SER 180.A OG no hydrogen 3.021 N/A ALA 91.A N MET 87.A O no hydrogen 2.883 N/A SER 92.A N LEU 88.A O no hydrogen 2.927 N/A SER 92.A OG ASP 51.A OD1 no hydrogen 2.765 N/A ILE 93.A N SER 89.A O no hydrogen 3.038 N/A PHE 94.A N SER 90.A O no hydrogen 2.870 N/A HIS 95.A N ALA 91.A O no hydrogen 2.909 N/A HIS 95.A ND1 ALA 91.A O no hydrogen 2.659 N/A HIS 95.A NE2 SER 46.A OG no hydrogen 2.753 N/A LEU 96.A N SER 92.A O no hydrogen 2.990 N/A SER 97.A N ILE 93.A O no hydrogen 2.976 N/A PHE 98.A N PHE 94.A O no hydrogen 2.935 N/A ILE 99.A N HIS 95.A O no hydrogen 2.919 N/A SER 100.A N LEU 96.A O no hydrogen 2.978 N/A SER 100.A OG SER 97.A O no hydrogen 2.488 N/A ILE 101.A N SER 97.A O no hydrogen 2.967 N/A ASP 102.A N PHE 98.A O no hydrogen 2.906 N/A ARG 103.A N ILE 99.A O no hydrogen 2.979 N/A TYR 104.A N SER 100.A O no hydrogen 2.877 N/A TYR 105.A N ILE 101.A O no hydrogen 2.974 N/A ALA 106.A N ASP 102.A O no hydrogen 2.962 N/A VAL 107.A N ARG 103.A O no hydrogen 2.940 N/A CYS 108.A N TYR 104.A O no hydrogen 2.860 N/A ASP 109.A N TYR 105.A O no hydrogen 3.033 N/A ARG 112.A N ASP 109.A O no hydrogen 3.362 N/A ARG 112.A NH1 ASP 109.A OD1 no hydrogen 3.131 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.385 N/A LYS 116.A N ARG 112.A O no hydrogen 2.959 N/A LYS 116.A NZ ASP 109.A OD2 no hydrogen 2.811 N/A MET 117.A N TYR 113.A O no hydrogen 2.778 N/A ASN 118.A ND2 ALA 115.A O no hydrogen 2.884 N/A VAL 121.A N ASN 118.A OD1 no hydrogen 3.181 N/A ILE 122.A N ASN 118.A O no hydrogen 3.059 N/A CYS 123.A N ILE 119.A O no hydrogen 2.894 N/A CYS 123.A SG ILE 119.A O no hydrogen 3.320 N/A VAL 124.A N LEU 120.A O no hydrogen 2.962 N/A MET 125.A N VAL 121.A O no hydrogen 2.893 N/A ILE 126.A N ILE 122.A O no hydrogen 2.904 N/A PHE 127.A N CYS 123.A O no hydrogen 2.909 N/A ILE 128.A N VAL 124.A O no hydrogen 2.940 N/A SER 129.A N MET 125.A O no hydrogen 2.908 N/A SER 129.A OG MET 125.A O no hydrogen 2.675 N/A TRP 130.A N ILE 126.A O no hydrogen 2.954 N/A TRP 130.A NE1 SER 46.A OG no hydrogen 2.692 N/A SER 131.A N PHE 127.A O no hydrogen 2.905 N/A SER 131.A N ILE 128.A O no hydrogen 3.173 N/A SER 131.A OG PHE 127.A O no hydrogen 2.231 N/A VAL 132.A N ILE 128.A O no hydrogen 2.976 N/A VAL 135.A N SER 131.A O no hydrogen 2.892 N/A PHE 136.A N VAL 132.A O no hydrogen 2.942 N/A ALA 137.A N PRO 133.A O no hydrogen 2.841 N/A PHE 138.A N ALA 134.A O no hydrogen 2.968 N/A GLY 139.A N VAL 135.A O no hydrogen 2.882 N/A MET 140.A N PHE 136.A O no hydrogen 2.935 N/A ILE 141.A N ALA 137.A O no hydrogen 2.947 N/A PHE 142.A N PHE 138.A O no hydrogen 2.873 N/A GLU 144.A N GLY 139.A O no hydrogen 2.765 N/A ASN 146.A ND2 PHE 167.A O no hydrogen 2.338 N/A LYS 148.A N LEU 145.A O no hydrogen 3.299 N/A ALA 150.A N PHE 147.A O no hydrogen 2.952 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.615 N/A TYR 154.A N ALA 150.A O no hydrogen 2.682 N/A TYR 155.A N GLU 151.A O no hydrogen 2.876 N/A LYS 156.A N GLU 152.A O no hydrogen 2.934 N/A HIS 157.A N ILE 153.A O no hydrogen 2.880 N/A VAL 158.A N TYR 154.A O no hydrogen 2.864 N/A HIS 159.A N LYS 156.A O no hydrogen 3.144 N/A CYS 160.A N LYS 156.A O no hydrogen 2.913 N/A CYS 160.A SG LYS 156.A O no hydrogen 2.902 N/A ARG 161.A N HIS 157.A O no hydrogen 3.166 N/A SER 169.A N ASN 146.A O no hydrogen 3.281 N/A SER 169.A OG ASN 146.A O no hydrogen 3.182 N/A SER 169.A OG LYS 148.A O no hydrogen 3.526 N/A SER 172.A N SER 169.A OG no hydrogen 3.156 N/A SER 172.A OG ASN 146.A O no hydrogen 3.317 N/A GLY 173.A N SER 169.A O no hydrogen 2.515 N/A VAL 174.A N LYS 170.A O no hydrogen 2.946 N/A LEU 175.A N ILE 171.A O no hydrogen 2.922 N/A THR 176.A N SER 172.A O no hydrogen 2.900 N/A THR 176.A OG1 SER 172.A O no hydrogen 2.824 N/A PHE 177.A N GLY 173.A O no hydrogen 2.899 N/A MET 178.A N VAL 174.A O no hydrogen 2.939 N/A THR 179.A N LEU 175.A O no hydrogen 2.900 N/A THR 179.A OG1 LEU 175.A O no hydrogen 3.362 N/A SER 180.A N THR 176.A O no hydrogen 2.900 N/A SER 180.A OG SER 90.A OG no hydrogen 3.021 N/A SER 180.A OG THR 176.A O no hydrogen 3.115 N/A PHE 181.A N PHE 177.A O no hydrogen 2.925 N/A TYR 182.A N PHE 177.A O no hydrogen 3.235 N/A ILE 183.A N MET 178.A O no hydrogen 3.217 N/A GLY 185.A N PHE 181.A O no hydrogen 2.788 N/A SER 186.A N TYR 182.A O no hydrogen 2.687 N/A SER 186.A OG TYR 182.A O no hydrogen 2.571 N/A SER 186.A OG ILE 183.A O no hydrogen 2.828 N/A ILE 187.A N ILE 183.A O no hydrogen 2.938 N/A MET 188.A N PRO 184.A O no hydrogen 2.982 N/A LEU 189.A N GLY 185.A O no hydrogen 2.911 N/A CYS 190.A N SER 186.A O no hydrogen 2.939 N/A CYS 190.A SG SER 186.A O no hydrogen 3.332 N/A VAL 191.A N ILE 187.A O no hydrogen 2.964 N/A TYR 192.A N MET 188.A O no hydrogen 2.926 N/A TYR 193.A N LEU 189.A O no hydrogen 2.926 N/A ARG 194.A N CYS 190.A O no hydrogen 3.040 N/A ARG 194.A NH1 TYR 104.A OH no hydrogen 2.404 N/A ILE 195.A N VAL 191.A O no hydrogen 2.947 N/A TYR 196.A N TYR 192.A O no hydrogen 2.868 N/A LEU 197.A N TYR 193.A O no hydrogen 2.979 N/A ILE 198.A N ARG 194.A O no hydrogen 2.979 N/A ALA 199.A N ILE 195.A O no hydrogen 2.916 N/A LYS 200.A N TYR 196.A O no hydrogen 2.893 N/A GLU 201.A N LEU 197.A O no hydrogen 2.974 N/A GLN 202.A N ILE 198.A O no hydrogen 2.934 N/A ALA 203.A N ALA 199.A O no hydrogen 2.922 N/A ARG 204.A N LYS 200.A O no hydrogen 2.945 N/A LEU 205.A N GLU 201.A O no hydrogen 2.951 N/A ILE 206.A N GLN 202.A O no hydrogen 2.926 N/A SER 207.A N ALA 203.A O no hydrogen 2.902 N/A SER 207.A OG ALA 203.A O no hydrogen 2.833 N/A ASP 208.A N ARG 204.A O no hydrogen 2.906 N/A ALA 209.A N LEU 205.A O no hydrogen 2.946 N/A ASN 210.A N ILE 206.A O no hydrogen 2.906 N/A GLN 211.A N SER 207.A O no hydrogen 3.186 N/A THR 217.A N LYS 213.A O no hydrogen 2.924 N/A THR 217.A OG1 LYS 213.A O no hydrogen 2.994 N/A LEU 218.A N ALA 214.A O no hydrogen 2.899 N/A GLY 219.A N VAL 215.A O no hydrogen 2.836 N/A ILE 220.A N LYS 216.A O no hydrogen 2.939 N/A VAL 221.A N THR 217.A O no hydrogen 2.947 N/A MET 222.A N LEU 218.A O no hydrogen 2.917 N/A GLY 223.A N GLY 219.A O no hydrogen 2.793 N/A VAL 224.A N ILE 220.A O no hydrogen 3.001 N/A LEU 226.A N MET 222.A O no hydrogen 2.886 N/A ILE 227.A N GLY 223.A O no hydrogen 2.882 N/A CYS 228.A N VAL 224.A O no hydrogen 2.970 N/A CYS 228.A SG VAL 224.A O no hydrogen 3.126 N/A TRP 229.A N PHE 225.A O no hydrogen 2.930 N/A CYS 230.A N LEU 226.A O no hydrogen 2.840 N/A PHE 233.A N TRP 229.A O no hydrogen 3.100 N/A ILE 234.A N CYS 230.A O no hydrogen 2.919 N/A CYS 235.A N PRO 231.A O no hydrogen 2.928 N/A CYS 235.A SG PRO 231.A O no hydrogen 3.349 N/A THR 236.A N PHE 232.A O no hydrogen 2.880 N/A THR 236.A OG1 PHE 232.A O no hydrogen 2.602 N/A VAL 237.A N PHE 233.A O no hydrogen 2.902 N/A MET 238.A N ILE 234.A O no hydrogen 2.952 N/A ASP 239.A N CYS 235.A O no hydrogen 2.876 N/A LEU 242.A N MET 238.A O no hydrogen 2.921 N/A HIS 243.A N PRO 240.A O no hydrogen 3.107 N/A TYR 244.A N ASP 239.A O no hydrogen 2.802 N/A TYR 244.A OH PHE 168.A O no hydrogen 3.310 N/A ILE 246.A N ASP 239.A OD1 no hydrogen 3.310 N/A ASP 252.A N PRO 248.A O no hydrogen 2.952 N/A VAL 253.A N THR 249.A O no hydrogen 2.982 N/A LEU 254.A N LEU 250.A O no hydrogen 2.919 N/A ILE 255.A N ASN 251.A O no hydrogen 2.919 N/A TRP 256.A N ASP 252.A O no hydrogen 3.062 N/A TRP 256.A NE1 SER 66.A OG no hydrogen 3.248 N/A PHE 257.A N VAL 253.A O no hydrogen 2.952 N/A GLY 258.A N LEU 254.A O no hydrogen 2.951 N/A TYR 259.A N ILE 255.A O no hydrogen 2.963 N/A TYR 259.A OH ASP 85.A OD1 no hydrogen 2.547 N/A LEU 260.A N TRP 256.A O no hydrogen 2.914 N/A ASN 261.A N PHE 257.A O no hydrogen 3.031 N/A ASN 261.A N GLY 258.A O no hydrogen 3.210 N/A SER 262.A OG ASP 51.A OD1 no hydrogen 3.521 N/A THR 263.A N TYR 259.A O no hydrogen 2.994 N/A THR 263.A OG1 THR 19.A OG1 no hydrogen 2.748 N/A THR 263.A OG1 TYR 259.A O no hydrogen 3.156 N/A PHE 264.A N LEU 260.A O no hydrogen 2.907 N/A ASN 265.A N ASN 261.A O no hydrogen 2.918 N/A ASN 265.A ND2 ASP 51.A OD2 no hydrogen 3.328 N/A VAL 268.A N PHE 264.A O no hydrogen 2.959 N/A VAL 268.A N ASN 265.A O no hydrogen 3.071 N/A TYR 269.A N ASN 265.A O no hydrogen 2.946 N/A ALA 270.A N PRO 266.A O no hydrogen 2.989 N/A PHE 271.A N PRO 266.A O no hydrogen 3.115 N/A TYR 273.A N ALA 270.A O no hydrogen 3.436 N/A PHE 276.A N TYR 273.A O no hydrogen 3.136 N/A ARG 277.A N TYR 273.A O no hydrogen 3.330 N/A ARG 277.A NE PHE 271.A O no hydrogen 2.962 N/A ARG 277.A NH2 PHE 271.A O no hydrogen 3.361 N/A LYS 278.A N PRO 274.A O no hydrogen 2.896 N/A ALA 279.A N TRP 275.A O no hydrogen 3.514 N/A LEU 280.A N PHE 276.A O no hydrogen 2.886 N/A LYS 281.A N ARG 277.A O no hydrogen 2.879 N/A