Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8duk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLN 7.A OE1 no hydrogen 2.871 N/A GLN 7.A N THR 4.A OG1 no hydrogen 3.095 N/A MET 8.A N THR 4.A O no hydrogen 2.787 N/A VAL 9.A N ALA 5.A O no hydrogen 2.969 N/A SER 10.A N ASP 6.A O no hydrogen 2.998 N/A SER 10.A OG ASP 6.A O no hydrogen 3.107 N/A ALA 11.A N GLN 7.A O no hydrogen 2.911 N/A LEU 12.A N MET 8.A O no hydrogen 2.995 N/A LEU 13.A N VAL 9.A O no hydrogen 2.799 N/A ASP 14.A N SER 10.A O no hydrogen 2.892 N/A ALA 15.A N ALA 11.A O no hydrogen 3.008 N/A ALA 15.A N LEU 12.A O no hydrogen 3.268 N/A GLU 16.A N LEU 13.A O no hydrogen 3.201 N/A SER 22.A N ASN 100.A OD1 no hydrogen 2.893 N/A ARG 28.A N ASP 25.A O no hydrogen 2.702 N/A SER 31.A N SER 34.A OG no hydrogen 3.144 N/A SER 34.A N SER 31.A O no hydrogen 3.145 N/A SER 34.A N SER 31.A OG no hydrogen 3.271 N/A SER 34.A OG PRO 29.A O no hydrogen 3.049 N/A SER 34.A OG SER 31.A O no hydrogen 3.349 N/A MET 35.A N GLU 32.A O no hydrogen 3.475 N/A LEU 38.A N SER 34.A O no hydrogen 3.015 N/A LEU 39.A N MET 35.A O no hydrogen 2.917 N/A THR 40.A N MET 36.A O no hydrogen 2.800 N/A THR 40.A OG1 MET 36.A O no hydrogen 2.865 N/A ASN 41.A N GLY 37.A O no hydrogen 3.025 N/A LEU 42.A N LEU 38.A O no hydrogen 2.998 N/A ALA 43.A N LEU 39.A O no hydrogen 2.973 N/A ASP 44.A N THR 40.A O no hydrogen 2.872 N/A ARG 45.A N ASN 41.A O no hydrogen 3.028 N/A ARG 45.A NE ASN 41.A OD1 no hydrogen 2.741 N/A ARG 45.A NH1 TYR 21.A O no hydrogen 2.840 N/A ARG 45.A NH2 TYR 21.A O no hydrogen 3.009 N/A ARG 45.A NH2 ASN 41.A OD1 no hydrogen 2.976 N/A GLU 46.A N LEU 42.A O no hydrogen 2.850 N/A LEU 47.A N ALA 43.A O no hydrogen 2.879 N/A MET 50.A N GLU 46.A O no hydrogen 2.790 N/A ILE 51.A N LEU 47.A O no hydrogen 2.925 N/A ASN 52.A N VAL 48.A O no hydrogen 3.330 N/A ASN 52.A ND2 VAL 48.A O no hydrogen 2.841 N/A TRP 53.A N HIS 49.A O no hydrogen 2.749 N/A ALA 54.A N MET 50.A O no hydrogen 2.826 N/A LYS 55.A N ILE 51.A O no hydrogen 3.287 N/A ARG 56.A N TRP 53.A O no hydrogen 2.875 N/A VAL 57.A N ALA 54.A O no hydrogen 2.953 N/A PHE 60.A N VAL 57.A O no hydrogen 2.903 N/A ASP 62.A N GLY 59.A O no hydrogen 3.245 N/A LEU 63.A N PHE 60.A O no hydrogen 3.117 N/A THR 64.A N GLU 161.A OE2 no hydrogen 2.941 N/A THR 64.A OG1 GLU 161.A OE2 no hydrogen 3.343 N/A ASP 67.A N THR 64.A OG1 no hydrogen 2.951 N/A GLN 68.A N THR 64.A O no hydrogen 2.872 N/A GLN 68.A NE2 LEU 63.A O no hydrogen 2.786 N/A GLN 68.A NE2 THR 64.A O no hydrogen 3.622 N/A VAL 69.A N LEU 65.A O no hydrogen 2.875 N/A HIS 70.A N HIS 66.A O no hydrogen 3.086 N/A HIS 70.A NE2 GLY 150.A O no hydrogen 2.887 N/A HIS 70.A NE2 THR 153.A OG1 no hydrogen 2.978 N/A LEU 71.A N ASP 67.A O no hydrogen 2.940 N/A LEU 72.A N GLN 68.A O no hydrogen 3.016 N/A GLU 73.A N VAL 69.A O no hydrogen 2.683 N/A SER 74.A N.A HIS 70.A O no hydrogen 2.979 N/A SER 74.A N.B HIS 70.A O no hydrogen 2.970 N/A SER 74.A OG.B HIS 70.A O no hydrogen 3.083 N/A ALA 75.A N LEU 71.A O no hydrogen 2.949 N/A ALA 75.A N LEU 72.A O no hydrogen 3.229 N/A TRP 76.A N LEU 72.A O no hydrogen 2.957 N/A ILE 79.A N.A ALA 75.A O no hydrogen 2.894 N/A ILE 79.A N.B ALA 75.A O no hydrogen 2.892 N/A LEU 80.A N TRP 76.A O no hydrogen 2.900 N/A MET 81.A N LEU 77.A O no hydrogen 2.819 N/A ILE 82.A N GLU 78.A O no hydrogen 2.816 N/A GLY 83.A N ILE 79.A O.A no hydrogen 3.082 N/A GLY 83.A N ILE 79.A O.B no hydrogen 3.069 N/A LEU 84.A N LEU 80.A O no hydrogen 3.002 N/A VAL 85.A N MET 81.A O no hydrogen 2.833 N/A TRP 86.A N ILE 82.A O no hydrogen 2.877 N/A ARG 87.A N GLY 83.A O no hydrogen 2.872 N/A ARG 87.A NE LEU 96.A O no hydrogen 3.055 N/A ARG 87.A NE PHE 97.A O no hydrogen 3.245 N/A ARG 87.A NH2 PHE 97.A O no hydrogen 2.955 N/A SER 88.A N LEU 84.A O no hydrogen 2.960 N/A SER 88.A N VAL 85.A O no hydrogen 3.103 N/A SER 88.A OG LEU 84.A O no hydrogen 2.742 N/A MET 89.A N TRP 86.A O no hydrogen 3.231 N/A HIS 91.A N SER 88.A O no hydrogen 2.875 N/A LYS 94.A N HIS 91.A O no hydrogen 3.007 N/A LEU 95.A N LEU 103.A O no hydrogen 2.860 N/A LEU 96.A N SER 88.A OG no hydrogen 2.827 N/A ALA 98.A N LEU 101.A O no hydrogen 3.255 N/A ASN 100.A ND2 SER 22.A O no hydrogen 2.846 N/A LEU 101.A N ALA 98.A O no hydrogen 2.826 N/A LEU 103.A N LEU 95.A O no hydrogen 2.911 N/A ASP 104.A N GLN 107.A OE1 no hydrogen 2.710 N/A ARG 105.A NE ASP 119.A OD1 no hydrogen 2.562 N/A ARG 105.A NE ASP 119.A OD2 no hydrogen 3.197 N/A ARG 105.A NH2 ASP 119.A OD2 no hydrogen 2.723 N/A GLN 107.A N ASP 104.A O no hydrogen 3.037 N/A GLN 107.A N ASP 104.A OD1 no hydrogen 2.928 N/A GLY 108.A N ASP 104.A O no hydrogen 3.281 N/A LYS 109.A N ASN 106.A O no hydrogen 3.337 N/A SER 110.A OG GLN 107.A O no hydrogen 3.019 N/A MET 114.A N VAL 111.A O no hydrogen 3.331 N/A GLU 116.A N GLU 116.A OE1 no hydrogen 2.596 N/A PHE 118.A N MET 114.A O no hydrogen 2.898 N/A ASP 119.A N VAL 115.A O no hydrogen 2.879 N/A MET 120.A N GLU 116.A O no hydrogen 3.219 N/A LEU 121.A N ILE 117.A O no hydrogen 2.938 N/A LEU 122.A N PHE 118.A O no hydrogen 2.928 N/A ALA 123.A N ASP 119.A O no hydrogen 2.886 N/A THR 124.A N MET 120.A O no hydrogen 3.040 N/A THR 124.A OG1 MET 120.A O no hydrogen 2.895 N/A THR 124.A OG1 HIS 203.A ND1 no hydrogen 2.907 N/A SER 125.A N.A LEU 121.A O no hydrogen 2.935 N/A SER 125.A N.B LEU 121.A O no hydrogen 2.951 N/A SER 125.A OG.A SER 88.A O no hydrogen 3.346 N/A SER 125.A OG.B VAL 85.A O no hydrogen 3.134 N/A SER 125.A OG.B LEU 121.A O no hydrogen 3.429 N/A SER 126.A N LEU 122.A O no hydrogen 2.891 N/A ARG 127.A N ALA 123.A O no hydrogen 2.931 N/A PHE 128.A N THR 124.A O no hydrogen 2.914 N/A ARG 129.A N SER 125.A O.A no hydrogen 2.937 N/A ARG 129.A N SER 125.A O.B no hydrogen 2.968 N/A ARG 129.A NH2 MET 89.A O no hydrogen 2.777 N/A MET 130.A N SER 126.A O no hydrogen 2.860 N/A MET 131.A N ARG 127.A O no hydrogen 2.957 N/A ASN 132.A N ARG 129.A O no hydrogen 2.888 N/A LEU 133.A N PHE 128.A O no hydrogen 3.015 N/A GLN 134.A N GLU 137.A OE1 no hydrogen 2.917 N/A GLN 134.A NE2 ASN 132.A O no hydrogen 3.030 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.655 N/A PHE 138.A N GLN 134.A O no hydrogen 2.902 N/A VAL 139.A N GLY 135.A O no hydrogen 3.019 N/A CYS 140.A N GLU 136.A O no hydrogen 3.381 N/A CYS 140.A SG GLU 136.A O no hydrogen 3.490 N/A LEU 141.A N GLU 137.A O no hydrogen 2.919 N/A LYS 142.A N PHE 138.A O no hydrogen 2.931 N/A LYS 142.A NZ GLU 16.A OE1 no hydrogen 2.682 N/A LYS 142.A NZ GLU 16.A OE2 no hydrogen 3.266 N/A SER 143.A N.A VAL 139.A O no hydrogen 3.193 N/A SER 143.A N.B VAL 139.A O no hydrogen 3.186 N/A SER 143.A OG.A VAL 139.A O no hydrogen 3.241 N/A SER 143.A OG.B VAL 139.A O no hydrogen 3.247 N/A SER 143.A OG.B CYS 140.A O no hydrogen 2.675 N/A ILE 144.A N CYS 140.A O no hydrogen 2.969 N/A ILE 145.A N LEU 141.A O no hydrogen 3.009 N/A LEU 146.A N LYS 142.A O no hydrogen 3.141 N/A LEU 147.A N SER 143.A O.A no hydrogen 3.090 N/A LEU 147.A N SER 143.A O.B no hydrogen 3.091 N/A ASN 148.A N ILE 144.A O no hydrogen 2.743 N/A SER 149.A N ILE 145.A O no hydrogen 2.979 N/A SER 149.A OG GLU 78.A OE1 no hydrogen 2.719 N/A SER 149.A OG GLU 78.A OE2 no hydrogen 3.290 N/A SER 149.A OG ILE 145.A O no hydrogen 3.071 N/A VAL 151.A N ASN 148.A O no hydrogen 3.218 N/A TYR 152.A OH ASN 148.A OD1 no hydrogen 3.001 N/A THR 153.A N GLY 150.A O no hydrogen 3.261 N/A THR 153.A OG1 HIS 70.A NE2 no hydrogen 2.978 N/A THR 153.A OG1 GLY 150.A O no hydrogen 3.220 N/A THR 155.A OG1 SER 158.A OG no hydrogen 2.993 N/A SER 158.A N THR 155.A OG1 no hydrogen 3.072 N/A SER 158.A OG THR 155.A OG1 no hydrogen 2.993 N/A LEU 159.A N THR 155.A O no hydrogen 2.874 N/A GLU 160.A N LEU 156.A O no hydrogen 3.034 N/A GLU 161.A N LYS 157.A O no hydrogen 2.887 N/A LYS 162.A N SER 158.A O no hydrogen 2.973 N/A ASP 163.A N LEU 159.A O no hydrogen 2.960 N/A HIS 164.A N GLU 160.A O no hydrogen 2.972 N/A HIS 164.A NE2 GLY 59.A O no hydrogen 2.891 N/A ILE 165.A N GLU 161.A O no hydrogen 2.860 N/A HIS 166.A N LYS 162.A O no hydrogen 2.956 N/A ARG 167.A N ASP 163.A O no hydrogen 2.963 N/A ARG 167.A NE ASP 163.A OD1 no hydrogen 3.395 N/A ARG 167.A NE ASP 163.A OD2 no hydrogen 2.908 N/A VAL 168.A N HIS 164.A O no hydrogen 2.875 N/A LEU 169.A N ILE 165.A O no hydrogen 2.826 N/A ASP 170.A N HIS 166.A O no hydrogen 2.932 N/A LYS 171.A N ARG 167.A O no hydrogen 2.993 N/A LYS 171.A NZ LEU 3.A O no hydrogen 3.034 N/A ILE 172.A N VAL 168.A O no hydrogen 2.934 N/A THR 173.A N LEU 169.A O no hydrogen 2.917 N/A THR 173.A OG1 LEU 169.A O no hydrogen 3.186 N/A ASP 174.A N ASP 170.A O no hydrogen 2.993 N/A THR 175.A N LYS 171.A O no hydrogen 2.911 N/A THR 175.A OG1 LYS 171.A O no hydrogen 2.813 N/A LEU 176.A N ILE 172.A O no hydrogen 2.800 N/A ILE 177.A N THR 173.A O no hydrogen 2.901 N/A HIS 178.A N ASP 174.A O no hydrogen 2.854 N/A HIS 178.A NE2 ASP 6.A OD1 no hydrogen 2.864 N/A LEU 179.A N THR 175.A O no hydrogen 2.936 N/A MET 180.A N LEU 176.A O no hydrogen 3.149 N/A ALA 181.A N ILE 177.A O no hydrogen 2.716 N/A LYS 182.A N HIS 178.A O no hydrogen 2.720 N/A LYS 182.A NZ ASP 6.A OD1 no hydrogen 3.299 N/A ALA 183.A N LEU 179.A O no hydrogen 3.231 N/A GLY 184.A N MET 180.A O no hydrogen 3.219 N/A GLY 184.A N ALA 181.A O no hydrogen 3.051 N/A LEU 185.A N MET 180.A O no hydrogen 3.132 N/A THR 186.A N GLN 189.A OE1 no hydrogen 2.898 N/A GLN 189.A N THR 186.A OG1 no hydrogen 3.106 N/A GLN 190.A N THR 186.A O no hydrogen 2.714 N/A GLN 190.A NE2 LEU 185.A O no hydrogen 2.980 N/A HIS 191.A N LEU 187.A O no hydrogen 2.953 N/A GLN 192.A N GLN 188.A O no hydrogen 2.941 N/A ARG 193.A N GLN 189.A O no hydrogen 2.902 N/A ARG 193.A NE GLU 137.A OE2 no hydrogen 2.624 N/A ARG 193.A NH1 MET 131.A O no hydrogen 2.912 N/A ARG 193.A NH2 MET 131.A O no hydrogen 2.898 N/A ARG 193.A NH2 ASN 132.A O no hydrogen 3.297 N/A ARG 193.A NH2 GLU 137.A OE1 no hydrogen 2.832 N/A ARG 193.A NH2 GLU 137.A OE2 no hydrogen 3.472 N/A LEU 194.A N GLN 190.A O no hydrogen 2.922 N/A ALA 195.A N HIS 191.A O no hydrogen 3.038 N/A GLN 196.A N GLN 192.A O no hydrogen 2.945 N/A LEU 197.A N ARG 193.A O no hydrogen 2.863 N/A LEU 198.A N LEU 194.A O no hydrogen 2.901 N/A LEU 199.A N ALA 195.A O no hydrogen 2.843 N/A ILE 200.A N GLN 196.A O no hydrogen 3.402 N/A ILE 200.A N LEU 197.A O no hydrogen 3.214 N/A LEU 201.A N LEU 198.A O no hydrogen 3.077 N/A SER 202.A N LEU 199.A O no hydrogen 3.047 N/A ILE 204.A N ILE 200.A O no hydrogen 2.938 N/A ARG 205.A N LEU 201.A O no hydrogen 2.933 N/A HIS 206.A N SER 202.A O no hydrogen 2.981 N/A MET 207.A N HIS 203.A O no hydrogen 2.865 N/A SER 208.A N ILE 204.A O no hydrogen 2.918 N/A SER 208.A OG.B ILE 204.A O no hydrogen 3.476 N/A SER 208.A OG.B ARG 205.A O no hydrogen 2.462 N/A ASN 209.A N ARG 205.A O no hydrogen 3.049 N/A LYS 210.A N HIS 206.A O no hydrogen 3.075 N/A GLY 211.A N MET 207.A O no hydrogen 2.767 N/A MET 212.A N SER 208.A O no hydrogen 2.782 N/A GLU 213.A N ASN 209.A O no hydrogen 3.090 N/A HIS 214.A N LYS 210.A O no hydrogen 2.976 N/A LEU 215.A N GLY 211.A O no hydrogen 2.803 N/A TYR 216.A N MET 212.A O no hydrogen 2.992 N/A SER 217.A N GLU 213.A O no hydrogen 2.943 N/A SER 217.A OG HIS 214.A O no hydrogen 2.540 N/A MET 218.A N LEU 215.A O no hydrogen 2.977 N/A LYS 219.A N TYR 216.A O no hydrogen 3.151 N/A TYR 225.A OH HIS 66.A O no hydrogen 2.866 N/A LEU 227.A N SER 224.A OG no hydrogen 3.031 N/A LEU 228.A N SER 224.A O no hydrogen 2.885 N/A LEU 229.A N TYR 225.A O no hydrogen 2.915 N/A GLU 230.A N ASP 226.A O no hydrogen 3.096 N/A MET 231.A N LEU 227.A O no hydrogen 3.157 N/A LEU 232.A N LEU 228.A O no hydrogen 2.892 N/A ASP 233.A N LEU 229.A O no hydrogen 2.741 N/A ALA 234.A N LEU 232.A O no hydrogen 2.855 N/A LEU 237.A N HIS 235.A ND1 no hydrogen 2.973 N/A HIS 238.A ND1 LEU 237.A O no hydrogen 2.768 N/A