Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w8a_R.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASN 2.A OD1 no hydrogen 3.414 N/A ARG 5.A N SER 1.A O no hydrogen 2.891 N/A ALA 6.A N ASN 2.A O no hydrogen 2.900 N/A SER 7.A N ASP 3.A O no hydrogen 2.918 N/A LEU 8.A N VAL 4.A O no hydrogen 2.903 N/A TYR 9.A N ARG 5.A O no hydrogen 2.907 N/A TYR 9.A OH GLU 68.A OE2 no hydrogen 2.840 N/A SER 10.A N ALA 6.A O no hydrogen 2.893 N/A SER 10.A OG ALA 6.A O no hydrogen 2.755 N/A LEU 11.A N SER 7.A O no hydrogen 2.935 N/A MET 12.A N LEU 8.A O no hydrogen 2.919 N/A VAL 13.A N TYR 9.A O no hydrogen 2.892 N/A LEU 14.A N SER 10.A O no hydrogen 2.920 N/A ILE 15.A N LEU 11.A O no hydrogen 2.952 N/A ILE 16.A N MET 12.A O no hydrogen 2.924 N/A LEU 17.A N VAL 13.A O no hydrogen 2.914 N/A THR 18.A N LEU 14.A O no hydrogen 2.911 N/A THR 18.A OG1 LEU 14.A O no hydrogen 2.792 N/A THR 19.A N ILE 15.A O no hydrogen 2.928 N/A THR 19.A OG1 ILE 15.A O no hydrogen 2.923 N/A THR 19.A OG1 THR 267.A OG1 no hydrogen 2.330 N/A LEU 20.A N ILE 16.A O no hydrogen 2.941 N/A VAL 21.A N LEU 17.A O no hydrogen 2.868 N/A GLY 22.A N THR 18.A O no hydrogen 2.962 N/A ASN 23.A N THR 19.A O no hydrogen 2.958 N/A ASN 23.A ND2 THR 19.A O no hydrogen 2.851 N/A ASN 23.A ND2 SER 266.A O no hydrogen 3.585 N/A LEU 24.A N LEU 20.A O no hydrogen 2.884 N/A ILE 25.A N VAL 21.A O no hydrogen 2.912 N/A VAL 26.A N GLY 22.A O no hydrogen 2.979 N/A ILE 27.A N ASN 23.A O no hydrogen 2.903 N/A VAL 28.A N LEU 24.A O no hydrogen 2.912 N/A SER 29.A N ILE 25.A O no hydrogen 2.902 N/A SER 29.A OG ILE 25.A O no hydrogen 2.507 N/A ILE 30.A N VAL 26.A O no hydrogen 2.955 N/A SER 31.A N ILE 27.A O no hydrogen 2.910 N/A SER 31.A OG ILE 27.A O no hydrogen 2.806 N/A SER 31.A OG VAL 28.A O no hydrogen 3.432 N/A HIS 32.A N VAL 28.A O no hydrogen 2.891 N/A PHE 33.A N SER 29.A O no hydrogen 3.484 N/A GLN 35.A N GLN 35.A OE1 no hydrogen 2.622 N/A HIS 37.A ND1 PHE 33.A O no hydrogen 2.820 N/A THR 40.A OG1 ASP 102.A OD1 no hydrogen 2.887 N/A THR 40.A OG1 ASP 102.A OD2 no hydrogen 3.344 N/A THR 40.A OG1 TYR 113.A OH no hydrogen 2.518 N/A ASN 41.A N THR 38.A OG1 no hydrogen 3.177 N/A TRP 42.A N THR 38.A O no hydrogen 2.896 N/A LEU 43.A N PRO 39.A O no hydrogen 2.974 N/A ILE 44.A N THR 40.A O no hydrogen 2.956 N/A HIS 45.A N ASN 41.A O no hydrogen 2.835 N/A SER 46.A N TRP 42.A O no hydrogen 2.897 N/A SER 46.A OG HIS 95.A NE2 no hydrogen 2.508 N/A MET 47.A N LEU 43.A O no hydrogen 2.978 N/A ALA 48.A N ILE 44.A O no hydrogen 2.877 N/A THR 49.A N HIS 45.A O no hydrogen 2.906 N/A THR 49.A OG1 HIS 45.A O no hydrogen 3.433 N/A THR 49.A OG1 SER 46.A O no hydrogen 2.422 N/A VAL 50.A N SER 46.A O no hydrogen 2.926 N/A ASP 51.A N MET 47.A O no hydrogen 2.957 N/A PHE 52.A N ALA 48.A O no hydrogen 2.854 N/A LEU 53.A N THR 49.A O no hydrogen 2.895 N/A LEU 54.A N VAL 50.A O no hydrogen 2.928 N/A GLY 55.A N ASP 51.A O no hydrogen 2.909 N/A CYS 56.A N PHE 52.A O no hydrogen 2.910 N/A CYS 56.A SG PHE 52.A O no hydrogen 3.476 N/A LEU 57.A N LEU 53.A O no hydrogen 2.880 N/A VAL 58.A N LEU 54.A O no hydrogen 2.931 N/A MET 59.A N LEU 54.A O no hydrogen 3.364 N/A TYR 61.A N VAL 58.A O no hydrogen 3.156 N/A SER 62.A N VAL 58.A O no hydrogen 2.901 N/A SER 62.A OG TYR 263.A OH no hydrogen 3.100 N/A MET 63.A N MET 59.A O no hydrogen 2.879 N/A ARG 65.A N TYR 61.A O no hydrogen 2.999 N/A ARG 65.A NH1 SER 62.A OG no hydrogen 2.994 N/A SER 66.A N SER 62.A O no hydrogen 2.944 N/A SER 66.A OG SER 62.A O no hydrogen 3.007 N/A SER 66.A OG ASP 256.A OD1 no hydrogen 3.041 N/A SER 66.A OG ASP 256.A OD2 no hydrogen 3.292 N/A ALA 67.A N MET 63.A O no hydrogen 3.330 N/A GLU 68.A N VAL 64.A O no hydrogen 3.098 N/A HIS 69.A ND1 ARG 161.A O no hydrogen 3.075 N/A CYS 78.A N GLY 74.A O no hydrogen 3.104 N/A CYS 78.A SG GLY 163.A O no hydrogen 3.927 N/A LYS 79.A N GLU 75.A O no hydrogen 2.911 N/A LYS 79.A NZ ILE 141.A O no hydrogen 2.981 N/A ILE 80.A N VAL 76.A O no hydrogen 2.961 N/A HIS 81.A N PHE 77.A O no hydrogen 2.838 N/A HIS 81.A NE2 VAL 58.A O no hydrogen 3.084 N/A THR 82.A N CYS 78.A O no hydrogen 2.928 N/A THR 82.A OG1 CYS 78.A O no hydrogen 3.030 N/A SER 83.A N LYS 79.A O no hydrogen 3.098 N/A SER 83.A OG LYS 79.A O no hydrogen 2.542 N/A THR 84.A N ILE 80.A O no hydrogen 2.880 N/A THR 84.A OG1 ILE 80.A O no hydrogen 2.695 N/A ASP 85.A N HIS 81.A O no hydrogen 2.901 N/A ILE 86.A N THR 82.A O no hydrogen 2.975 N/A MET 87.A N SER 83.A O no hydrogen 2.900 N/A LEU 88.A N THR 84.A O no hydrogen 2.898 N/A SER 89.A N ASP 85.A O no hydrogen 2.942 N/A SER 89.A OG ASP 85.A O no hydrogen 2.666 N/A SER 90.A N ILE 86.A O no hydrogen 2.987 N/A SER 90.A OG ILE 86.A O no hydrogen 2.829 N/A SER 90.A OG SER 180.A OG no hydrogen 3.104 N/A ALA 91.A N MET 87.A O no hydrogen 2.884 N/A SER 92.A N LEU 88.A O no hydrogen 2.896 N/A SER 92.A OG ASP 51.A OD1 no hydrogen 3.058 N/A ILE 93.A N SER 89.A O no hydrogen 2.997 N/A PHE 94.A N SER 90.A O no hydrogen 2.904 N/A HIS 95.A N ALA 91.A O no hydrogen 2.886 N/A HIS 95.A ND1 ALA 91.A O no hydrogen 2.982 N/A LEU 96.A N SER 92.A O no hydrogen 2.946 N/A SER 97.A N ILE 93.A O no hydrogen 2.982 N/A SER 97.A OG PHE 94.A O no hydrogen 2.556 N/A PHE 98.A N PHE 94.A O no hydrogen 2.890 N/A ILE 99.A N HIS 95.A O no hydrogen 2.896 N/A SER 100.A N LEU 96.A O no hydrogen 2.970 N/A SER 100.A OG SER 97.A O no hydrogen 2.424 N/A ILE 101.A N SER 97.A O no hydrogen 2.923 N/A ASP 102.A N PHE 98.A O no hydrogen 2.900 N/A ARG 103.A N ILE 99.A O no hydrogen 2.957 N/A TYR 104.A N SER 100.A O no hydrogen 2.878 N/A TYR 105.A N ILE 101.A O no hydrogen 2.940 N/A ALA 106.A N ASP 102.A O no hydrogen 2.921 N/A VAL 107.A N ARG 103.A O no hydrogen 2.933 N/A CYS 108.A N TYR 104.A O no hydrogen 2.868 N/A CYS 108.A SG TYR 104.A O no hydrogen 3.519 N/A ASP 109.A N TYR 105.A O no hydrogen 2.899 N/A ARG 112.A NH1 ASP 109.A OD1 no hydrogen 2.997 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 3.350 N/A LYS 116.A N ARG 112.A O no hydrogen 2.906 N/A MET 117.A N TYR 113.A O no hydrogen 2.981 N/A VAL 121.A N ASN 118.A OD1 no hydrogen 3.332 N/A ILE 122.A N ASN 118.A O no hydrogen 2.959 N/A CYS 123.A N ILE 119.A O no hydrogen 2.863 N/A VAL 124.A N LEU 120.A O no hydrogen 2.917 N/A MET 125.A N VAL 121.A O no hydrogen 2.899 N/A ILE 126.A N ILE 122.A O no hydrogen 2.972 N/A PHE 127.A N CYS 123.A O no hydrogen 2.883 N/A ILE 128.A N VAL 124.A O no hydrogen 2.921 N/A SER 129.A N MET 125.A O no hydrogen 2.940 N/A TRP 130.A N ILE 126.A O no hydrogen 2.936 N/A TRP 130.A NE1 SER 46.A OG no hydrogen 3.096 N/A SER 131.A N PHE 127.A O no hydrogen 2.864 N/A SER 131.A N ILE 128.A O no hydrogen 3.174 N/A SER 131.A OG PHE 127.A O no hydrogen 2.791 N/A SER 131.A OG ILE 128.A O no hydrogen 3.389 N/A VAL 132.A N ILE 128.A O no hydrogen 2.947 N/A VAL 135.A N SER 131.A O no hydrogen 2.963 N/A PHE 136.A N VAL 132.A O no hydrogen 2.949 N/A ALA 137.A N PRO 133.A O no hydrogen 2.805 N/A PHE 138.A N ALA 134.A O no hydrogen 2.961 N/A GLY 139.A N VAL 135.A O no hydrogen 2.892 N/A MET 140.A N PHE 136.A O no hydrogen 2.934 N/A MET 140.A N ALA 137.A O no hydrogen 3.314 N/A ILE 141.A N ALA 137.A O no hydrogen 2.915 N/A PHE 142.A N PHE 138.A O no hydrogen 2.898 N/A GLU 144.A N ILE 141.A O no hydrogen 2.877 N/A LEU 145.A N MET 140.A O no hydrogen 2.995 N/A GLY 149.A N GLU 151.A OE2 no hydrogen 2.801 N/A ALA 150.A N PHE 147.A O no hydrogen 3.042 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.703 N/A TYR 154.A N ALA 150.A O no hydrogen 2.934 N/A TYR 155.A N GLU 151.A O no hydrogen 2.871 N/A LYS 156.A N GLU 152.A O no hydrogen 2.988 N/A HIS 157.A N ILE 153.A O no hydrogen 2.879 N/A VAL 158.A N TYR 154.A O no hydrogen 2.890 N/A HIS 159.A N TYR 155.A O no hydrogen 2.931 N/A CYS 160.A N LYS 156.A O no hydrogen 2.999 N/A CYS 160.A SG LYS 156.A O no hydrogen 3.205 N/A ARG 161.A N HIS 157.A O no hydrogen 3.134 N/A GLY 162.A N VAL 158.A O no hydrogen 3.256 N/A SER 165.A OG HIS 157.A NE2 no hydrogen 2.718 N/A SER 169.A N ASN 146.A O no hydrogen 3.057 N/A SER 169.A N SER 172.A OG no hydrogen 2.964 N/A SER 169.A OG ASN 146.A O no hydrogen 2.858 N/A SER 169.A OG SER 172.A OG no hydrogen 3.163 N/A LYS 170.A NZ PRO 244.A O no hydrogen 2.940 N/A SER 172.A OG ASN 146.A O no hydrogen 2.939 N/A SER 172.A OG SER 169.A OG no hydrogen 3.163 N/A GLY 173.A N SER 169.A O no hydrogen 2.760 N/A LEU 175.A N ILE 171.A O no hydrogen 3.309 N/A THR 176.A N SER 172.A O no hydrogen 3.056 N/A THR 176.A OG1 SER 172.A O no hydrogen 2.715 N/A PHE 177.A N GLY 173.A O no hydrogen 2.921 N/A MET 178.A N VAL 174.A O no hydrogen 2.927 N/A THR 179.A N LEU 175.A O no hydrogen 2.898 N/A THR 179.A N THR 176.A O no hydrogen 3.290 N/A THR 179.A OG1 LEU 175.A O no hydrogen 2.588 N/A SER 180.A N THR 176.A O no hydrogen 2.873 N/A SER 180.A OG SER 90.A OG no hydrogen 3.104 N/A SER 180.A OG THR 176.A O no hydrogen 3.245 N/A PHE 181.A N PHE 177.A O no hydrogen 2.936 N/A TYR 182.A N PHE 177.A O no hydrogen 3.171 N/A GLY 185.A N PHE 181.A O no hydrogen 2.768 N/A SER 186.A N TYR 182.A O no hydrogen 2.630 N/A SER 186.A OG TYR 182.A O no hydrogen 2.914 N/A SER 186.A OG ILE 183.A O no hydrogen 2.796 N/A ILE 187.A N ILE 183.A O no hydrogen 2.934 N/A MET 188.A N PRO 184.A O no hydrogen 2.917 N/A LEU 189.A N GLY 185.A O no hydrogen 2.898 N/A CYS 190.A N SER 186.A O no hydrogen 2.930 N/A CYS 190.A SG SER 186.A O no hydrogen 3.210 N/A VAL 191.A N ILE 187.A O no hydrogen 2.966 N/A TYR 192.A N MET 188.A O no hydrogen 2.898 N/A TYR 193.A N LEU 189.A O no hydrogen 2.911 N/A ARG 194.A N CYS 190.A O no hydrogen 2.984 N/A ILE 195.A N VAL 191.A O no hydrogen 2.962 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 2.926 N/A ILE 198.A N ARG 194.A O no hydrogen 2.984 N/A ALA 199.A N ILE 195.A O no hydrogen 2.895 N/A LYS 200.A N TYR 196.A O no hydrogen 2.870 N/A GLU 201.A N LEU 197.A O no hydrogen 2.957 N/A GLN 202.A N ILE 198.A O no hydrogen 2.944 N/A ALA 203.A N ALA 199.A O no hydrogen 2.900 N/A ARG 204.A N LYS 200.A O no hydrogen 2.898 N/A LEU 205.A N GLU 201.A O no hydrogen 2.948 N/A ILE 206.A N GLN 202.A O no hydrogen 2.943 N/A SER 207.A N ALA 203.A O no hydrogen 2.906 N/A ASP 208.A N ARG 204.A O no hydrogen 2.881 N/A ALA 209.A N LEU 205.A O no hydrogen 2.979 N/A ASN 210.A N ILE 206.A O no hydrogen 2.956 N/A GLN 211.A N SER 207.A O no hydrogen 2.878 N/A LYS 212.A N ASP 208.A O no hydrogen 2.846 N/A LEU 213.A N ALA 209.A O no hydrogen 2.947 N/A GLN 214.A N GLN 211.A O no hydrogen 3.425 N/A LYS 220.A N ARG 216.A O no hydrogen 3.106 N/A THR 221.A N LYS 217.A O no hydrogen 2.931 N/A THR 221.A OG1 LYS 217.A O no hydrogen 2.981 N/A THR 221.A OG1 ALA 218.A O no hydrogen 3.167 N/A LEU 222.A N ALA 218.A O no hydrogen 2.816 N/A GLY 223.A N VAL 219.A O no hydrogen 2.939 N/A ILE 224.A N LYS 220.A O no hydrogen 3.143 N/A VAL 225.A N THR 221.A O no hydrogen 3.199 N/A MET 226.A N LEU 222.A O no hydrogen 2.942 N/A GLY 227.A N GLY 223.A O no hydrogen 2.821 N/A VAL 228.A N ILE 224.A O no hydrogen 2.940 N/A PHE 229.A N VAL 225.A O no hydrogen 3.017 N/A LEU 230.A N MET 226.A O no hydrogen 2.862 N/A ILE 231.A N GLY 227.A O no hydrogen 2.886 N/A CYS 232.A N VAL 228.A O no hydrogen 2.966 N/A CYS 232.A SG VAL 228.A O no hydrogen 3.283 N/A TRP 233.A N PHE 229.A O no hydrogen 2.933 N/A TRP 233.A NE1 ASN 265.A OD1 no hydrogen 2.584 N/A CYS 234.A N LEU 230.A O no hydrogen 2.853 N/A PHE 237.A N TRP 233.A O no hydrogen 3.165 N/A ILE 238.A N CYS 234.A O no hydrogen 2.906 N/A CYS 239.A N PRO 235.A O no hydrogen 2.966 N/A CYS 239.A SG PRO 235.A O no hydrogen 3.429 N/A THR 240.A N PHE 236.A O no hydrogen 2.844 N/A THR 240.A OG1 PHE 236.A O no hydrogen 2.440 N/A VAL 241.A N PHE 237.A O no hydrogen 2.914 N/A MET 242.A N ILE 238.A O no hydrogen 2.936 N/A TYR 248.A N PHE 245.A O no hydrogen 3.310 N/A TYR 248.A OH PHE 168.A O no hydrogen 3.277 N/A ASP 256.A N PRO 252.A O no hydrogen 2.908 N/A VAL 257.A N THR 253.A O no hydrogen 2.949 N/A LEU 258.A N LEU 254.A O no hydrogen 2.905 N/A ILE 259.A N ASN 255.A O no hydrogen 2.871 N/A TRP 260.A N ASP 256.A O no hydrogen 3.010 N/A TRP 260.A NE1 SER 66.A OG no hydrogen 2.908 N/A PHE 261.A N VAL 257.A O no hydrogen 2.912 N/A GLY 262.A N LEU 258.A O no hydrogen 2.887 N/A TYR 263.A N ILE 259.A O no hydrogen 2.922 N/A TYR 263.A OH SER 62.A OG no hydrogen 3.100 N/A TYR 263.A OH ASP 85.A OD1 no hydrogen 3.022 N/A LEU 264.A N TRP 260.A O no hydrogen 2.947 N/A ASN 265.A N GLY 262.A O no hydrogen 3.134 N/A SER 266.A N TYR 263.A O no hydrogen 3.061 N/A SER 266.A OG ASP 51.A OD1 no hydrogen 3.297 N/A THR 267.A OG1 THR 19.A OG1 no hydrogen 2.330 N/A PHE 268.A N LEU 264.A O no hydrogen 2.953 N/A ASN 269.A N ASN 265.A O no hydrogen 2.884 N/A ASN 269.A ND2 ASP 51.A OD2 no hydrogen 3.208 N/A ASN 269.A ND2 ASN 265.A OD1 no hydrogen 3.642 N/A VAL 272.A N PHE 268.A O no hydrogen 3.133 N/A TYR 273.A N ASN 269.A O no hydrogen 2.948 N/A ALA 274.A N PRO 270.A O no hydrogen 2.886 N/A PHE 275.A N MET 271.A O no hydrogen 2.921 N/A PHE 276.A N MET 271.A O no hydrogen 3.240 N/A TYR 277.A N ALA 274.A O no hydrogen 3.352 N/A LYS 282.A N PRO 278.A O no hydrogen 2.875 N/A ALA 283.A N TRP 279.A O no hydrogen 2.905 N/A LEU 284.A N PHE 280.A O no hydrogen 2.931 N/A LYS 285.A N ARG 281.A O no hydrogen 2.885 N/A MET 286.A N LYS 282.A O no hydrogen 2.872 N/A MET 287.A N ALA 283.A O no hydrogen 2.916 N/A