Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8dub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLN 5.A OE1 no hydrogen 2.905 N/A GLN 5.A N THR 2.A OG1 no hydrogen 3.122 N/A MET 6.A N THR 2.A O no hydrogen 2.744 N/A VAL 7.A N ALA 3.A O no hydrogen 2.898 N/A SER 8.A N ASP 4.A O no hydrogen 2.991 N/A SER 8.A OG ASP 4.A O no hydrogen 3.326 N/A ALA 9.A N GLN 5.A O no hydrogen 2.995 N/A LEU 10.A N MET 6.A O no hydrogen 3.069 N/A LEU 11.A N VAL 7.A O no hydrogen 2.806 N/A ASP 12.A N SER 8.A O no hydrogen 2.906 N/A ALA 13.A N ALA 9.A O no hydrogen 3.036 N/A ALA 13.A N LEU 10.A O no hydrogen 3.090 N/A GLU 14.A N LEU 11.A O no hydrogen 3.398 N/A SER 20.A N ASN 92.A OD1 no hydrogen 2.936 N/A SER 26.A N SER 23.A O no hydrogen 3.213 N/A SER 26.A N SER 23.A OG no hydrogen 3.342 N/A SER 26.A OG SER 23.A O no hydrogen 3.187 N/A MET 27.A N GLU 24.A O no hydrogen 3.155 N/A LEU 30.A N SER 26.A O no hydrogen 3.042 N/A LEU 31.A N MET 27.A O no hydrogen 2.935 N/A THR 32.A N MET 28.A O no hydrogen 2.919 N/A THR 32.A OG1 MET 28.A O no hydrogen 2.829 N/A ASN 33.A N GLY 29.A O no hydrogen 3.058 N/A LEU 34.A N LEU 30.A O no hydrogen 2.940 N/A ALA 35.A N LEU 31.A O no hydrogen 2.934 N/A ASP 36.A N THR 32.A O no hydrogen 2.924 N/A ARG 37.A N ASN 33.A O no hydrogen 3.112 N/A ARG 37.A NE ASN 33.A OD1 no hydrogen 2.883 N/A ARG 37.A NH1 TYR 19.A O no hydrogen 2.939 N/A ARG 37.A NH2 TYR 19.A O no hydrogen 2.923 N/A ARG 37.A NH2 ASN 33.A OD1 no hydrogen 2.914 N/A GLU 38.A N LEU 34.A O no hydrogen 2.845 N/A LEU 39.A N ALA 35.A O no hydrogen 2.881 N/A MET 42.A N GLU 38.A O no hydrogen 2.824 N/A ILE 43.A N LEU 39.A O no hydrogen 2.981 N/A ASN 44.A N VAL 40.A O no hydrogen 3.396 N/A TRP 45.A N HIS 41.A O no hydrogen 2.890 N/A ALA 46.A N MET 42.A O no hydrogen 2.869 N/A LYS 47.A N ILE 43.A O no hydrogen 3.147 N/A ARG 48.A N TRP 45.A O no hydrogen 2.893 N/A VAL 49.A N ALA 46.A O no hydrogen 2.999 N/A PHE 52.A N VAL 49.A O no hydrogen 2.928 N/A ASP 54.A N GLY 51.A O no hydrogen 3.058 N/A LEU 55.A N PHE 52.A O no hydrogen 3.156 N/A THR 56.A N GLU 153.A OE2 no hydrogen 3.010 N/A THR 56.A OG1 GLU 153.A OE2 no hydrogen 3.272 N/A HIS 58.A ND1 TYR 217.A OH no hydrogen 2.269 N/A ASP 59.A N THR 56.A OG1 no hydrogen 3.044 N/A GLN 60.A N THR 56.A O no hydrogen 2.848 N/A GLN 60.A NE2 LEU 55.A O no hydrogen 2.956 N/A VAL 61.A N LEU 57.A O no hydrogen 2.905 N/A HIS 62.A N HIS 58.A O no hydrogen 3.034 N/A HIS 62.A NE2 GLY 142.A O no hydrogen 2.993 N/A HIS 62.A NE2 THR 145.A OG1 no hydrogen 2.998 N/A LEU 63.A N ASP 59.A O no hydrogen 2.926 N/A LEU 64.A N GLN 60.A O no hydrogen 3.119 N/A GLU 65.A N VAL 61.A O no hydrogen 2.765 N/A SER 66.A N.A HIS 62.A O no hydrogen 3.067 N/A SER 66.A N.A LEU 63.A O no hydrogen 3.219 N/A SER 66.A N.B HIS 62.A O no hydrogen 3.056 N/A SER 66.A OG.B HIS 62.A O no hydrogen 3.052 N/A ALA 67.A N LEU 63.A O no hydrogen 2.965 N/A TRP 68.A N LEU 64.A O no hydrogen 2.936 N/A ILE 71.A N ALA 67.A O no hydrogen 2.950 N/A LEU 72.A N TRP 68.A O no hydrogen 3.020 N/A MET 73.A N LEU 69.A O no hydrogen 2.876 N/A ILE 74.A N GLU 70.A O no hydrogen 2.842 N/A GLY 75.A N ILE 71.A O no hydrogen 3.085 N/A LEU 76.A N LEU 72.A O no hydrogen 3.029 N/A VAL 77.A N MET 73.A O no hydrogen 2.904 N/A TRP 78.A N ILE 74.A O no hydrogen 2.955 N/A ARG 79.A N GLY 75.A O no hydrogen 2.825 N/A ARG 79.A NE LEU 88.A O no hydrogen 3.078 N/A ARG 79.A NH2 PHE 89.A O no hydrogen 3.032 N/A SER 80.A N LEU 76.A O no hydrogen 2.951 N/A SER 80.A N VAL 77.A O no hydrogen 3.128 N/A SER 80.A OG LEU 76.A O no hydrogen 2.729 N/A MET 81.A N TRP 78.A O no hydrogen 3.286 N/A HIS 83.A N SER 80.A O no hydrogen 2.928 N/A LYS 86.A N HIS 83.A O no hydrogen 2.925 N/A LEU 87.A N LEU 95.A O no hydrogen 2.904 N/A LEU 88.A N SER 80.A OG no hydrogen 2.778 N/A ALA 90.A N LEU 93.A O no hydrogen 3.335 N/A ASN 92.A ND2 SER 20.A O no hydrogen 3.111 N/A LEU 93.A N ALA 90.A O no hydrogen 2.849 N/A LEU 95.A N LEU 87.A O no hydrogen 2.960 N/A ASP 96.A N GLN 99.A OE1 no hydrogen 2.890 N/A ARG 97.A NE ASP 111.A OD1 no hydrogen 2.702 N/A ARG 97.A NE ASP 111.A OD2 no hydrogen 3.333 N/A ARG 97.A NH2 ASP 111.A OD2 no hydrogen 2.831 N/A GLN 99.A N ASP 96.A O no hydrogen 2.986 N/A GLN 99.A N ASP 96.A OD1 no hydrogen 3.252 N/A GLY 100.A N ASP 96.A O no hydrogen 3.403 N/A LYS 101.A N ASN 98.A O no hydrogen 3.143 N/A SER 102.A OG GLN 99.A O no hydrogen 3.264 N/A MET 106.A N VAL 103.A O no hydrogen 3.093 N/A PHE 110.A N MET 106.A O no hydrogen 2.925 N/A ASP 111.A N VAL 107.A O no hydrogen 2.837 N/A MET 112.A N GLU 108.A O no hydrogen 3.240 N/A LEU 113.A N ILE 109.A O no hydrogen 2.937 N/A LEU 114.A N PHE 110.A O no hydrogen 2.947 N/A ALA 115.A N ASP 111.A O no hydrogen 2.957 N/A THR 116.A N MET 112.A O no hydrogen 3.093 N/A THR 116.A OG1 MET 112.A O no hydrogen 2.956 N/A THR 116.A OG1 HIS 195.A ND1 no hydrogen 3.046 N/A SER 117.A N LEU 113.A O no hydrogen 3.056 N/A SER 117.A OG SER 80.A O no hydrogen 3.252 N/A SER 118.A N LEU 114.A O no hydrogen 2.947 N/A ARG 119.A N ALA 115.A O no hydrogen 2.932 N/A PHE 120.A N THR 116.A O no hydrogen 2.864 N/A ARG 121.A N SER 117.A O no hydrogen 2.911 N/A ARG 121.A NH1 MET 81.A O no hydrogen 2.857 N/A MET 122.A N SER 118.A O no hydrogen 2.842 N/A MET 123.A N ARG 119.A O no hydrogen 2.957 N/A ASN 124.A N ARG 121.A O no hydrogen 2.900 N/A LEU 125.A N PHE 120.A O no hydrogen 2.956 N/A GLN 126.A N GLU 129.A OE2 no hydrogen 2.946 N/A GLN 126.A NE2 ASN 124.A O no hydrogen 3.068 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.834 N/A PHE 130.A N GLN 126.A O no hydrogen 2.965 N/A VAL 131.A N GLY 127.A O no hydrogen 3.091 N/A CYS 132.A N GLU 128.A O no hydrogen 3.462 N/A CYS 132.A SG GLU 128.A O no hydrogen 3.392 N/A LEU 133.A N GLU 129.A O no hydrogen 2.925 N/A LYS 134.A N PHE 130.A O no hydrogen 2.936 N/A LYS 134.A NZ GLU 14.A OE1 no hydrogen 3.134 N/A LYS 134.A NZ GLU 14.A OE2 no hydrogen 2.730 N/A SER 135.A N.A VAL 131.A O no hydrogen 3.096 N/A SER 135.A N.B VAL 131.A O no hydrogen 3.098 N/A SER 135.A OG.A VAL 131.A O no hydrogen 3.204 N/A SER 135.A OG.B VAL 131.A O no hydrogen 3.534 N/A SER 135.A OG.B CYS 132.A O no hydrogen 2.897 N/A ILE 136.A N CYS 132.A O no hydrogen 2.907 N/A ILE 137.A N LEU 133.A O no hydrogen 3.022 N/A LEU 138.A N LYS 134.A O no hydrogen 3.146 N/A LEU 139.A N SER 135.A O.A no hydrogen 3.084 N/A LEU 139.A N SER 135.A O.B no hydrogen 3.142 N/A ASN 140.A N ILE 136.A O no hydrogen 2.786 N/A ASN 140.A ND2 TYR 144.A OH no hydrogen 2.725 N/A SER 141.A N ILE 137.A O no hydrogen 2.991 N/A SER 141.A OG GLU 70.A OE1 no hydrogen 3.489 N/A SER 141.A OG GLU 70.A OE2 no hydrogen 2.706 N/A SER 141.A OG ILE 137.A O no hydrogen 2.882 N/A THR 145.A N GLY 142.A O no hydrogen 3.185 N/A THR 145.A OG1 HIS 62.A NE2 no hydrogen 2.998 N/A THR 145.A OG1 GLY 142.A O no hydrogen 3.137 N/A LEU 151.A N THR 147.A O no hydrogen 2.889 N/A GLU 152.A N LEU 148.A O no hydrogen 3.081 N/A GLU 153.A N LYS 149.A O no hydrogen 2.917 N/A LYS 154.A N SER 150.A O no hydrogen 2.962 N/A ASP 155.A N LEU 151.A O no hydrogen 2.974 N/A HIS 156.A N GLU 152.A O no hydrogen 3.001 N/A HIS 156.A NE2 GLY 51.A O no hydrogen 3.031 N/A ILE 157.A N GLU 153.A O no hydrogen 2.877 N/A HIS 158.A N LYS 154.A O no hydrogen 2.957 N/A ARG 159.A N.A ASP 155.A O no hydrogen 3.068 N/A ARG 159.A N.B ASP 155.A O no hydrogen 3.067 N/A ARG 159.A NE.B ASP 155.A OD1 no hydrogen 3.390 N/A ARG 159.A NE.B ASP 155.A OD2 no hydrogen 2.681 N/A VAL 160.A N HIS 156.A O no hydrogen 3.002 N/A LEU 161.A N ILE 157.A O no hydrogen 2.843 N/A ASP 162.A N HIS 158.A O no hydrogen 2.915 N/A LYS 163.A N ARG 159.A O.A no hydrogen 3.082 N/A LYS 163.A N ARG 159.A O.B no hydrogen 3.060 N/A LYS 163.A NZ LEU 1.A O no hydrogen 2.900 N/A ILE 164.A N VAL 160.A O no hydrogen 2.953 N/A THR 165.A N LEU 161.A O no hydrogen 2.891 N/A THR 165.A OG1 LEU 161.A O no hydrogen 3.162 N/A ASP 166.A N ASP 162.A O no hydrogen 2.971 N/A THR 167.A N LYS 163.A O no hydrogen 2.922 N/A THR 167.A OG1 LYS 163.A O no hydrogen 2.865 N/A LEU 168.A N ILE 164.A O no hydrogen 2.876 N/A ILE 169.A N THR 165.A O no hydrogen 2.958 N/A HIS 170.A N ASP 166.A O no hydrogen 2.905 N/A HIS 170.A NE2 ASP 4.A OD1 no hydrogen 2.926 N/A LEU 171.A N THR 167.A O no hydrogen 2.942 N/A MET 172.A N LEU 168.A O no hydrogen 3.106 N/A ALA 173.A N ILE 169.A O no hydrogen 2.784 N/A LYS 174.A N HIS 170.A O no hydrogen 2.832 N/A ALA 175.A N LEU 171.A O no hydrogen 3.231 N/A GLY 176.A N ALA 173.A O no hydrogen 2.646 N/A LEU 177.A N MET 172.A O no hydrogen 3.171 N/A THR 178.A N GLN 181.A OE1 no hydrogen 3.131 N/A GLN 181.A N THR 178.A OG1 no hydrogen 3.108 N/A GLN 182.A N THR 178.A O no hydrogen 2.727 N/A GLN 182.A NE2 LEU 177.A O no hydrogen 2.999 N/A HIS 183.A N LEU 179.A O no hydrogen 2.987 N/A GLN 184.A N GLN 180.A O no hydrogen 3.044 N/A ARG 185.A N GLN 181.A O no hydrogen 2.948 N/A ARG 185.A NE GLU 129.A OE1 no hydrogen 2.677 N/A ARG 185.A NH1 MET 123.A O no hydrogen 2.938 N/A ARG 185.A NH2 MET 123.A O no hydrogen 2.937 N/A ARG 185.A NH2 ASN 124.A O no hydrogen 3.411 N/A ARG 185.A NH2 GLU 129.A OE1 no hydrogen 3.507 N/A ARG 185.A NH2 GLU 129.A OE2 no hydrogen 2.788 N/A LEU 186.A N GLN 182.A O no hydrogen 2.935 N/A ALA 187.A N HIS 183.A O no hydrogen 3.041 N/A GLN 188.A N GLN 184.A O no hydrogen 2.980 N/A LEU 189.A N ARG 185.A O no hydrogen 2.940 N/A LEU 190.A N LEU 186.A O no hydrogen 2.962 N/A LEU 191.A N ALA 187.A O no hydrogen 2.884 N/A ILE 192.A N GLN 188.A O no hydrogen 3.365 N/A ILE 192.A N LEU 189.A O no hydrogen 3.187 N/A LEU 193.A N LEU 190.A O no hydrogen 3.056 N/A SER 194.A N LEU 191.A O no hydrogen 3.095 N/A ILE 196.A N ILE 192.A O no hydrogen 3.006 N/A ARG 197.A N LEU 193.A O no hydrogen 2.967 N/A ARG 197.A NH1 SER 66.A OG.A no hydrogen 3.177 N/A ARG 197.A NH2 SER 66.A O.A no hydrogen 3.349 N/A ARG 197.A NH2 SER 66.A O.B no hydrogen 3.563 N/A HIS 198.A N SER 194.A O no hydrogen 3.036 N/A MET 199.A N HIS 195.A O no hydrogen 2.836 N/A SER 200.A N ILE 196.A O no hydrogen 2.887 N/A SER 200.A OG ILE 196.A O no hydrogen 3.261 N/A SER 200.A OG ARG 197.A O no hydrogen 2.632 N/A ASN 201.A N ARG 197.A O no hydrogen 3.120 N/A LYS 202.A N HIS 198.A O no hydrogen 3.057 N/A GLY 203.A N MET 199.A O no hydrogen 2.834 N/A MET 204.A N SER 200.A O no hydrogen 2.908 N/A GLU 205.A N ASN 201.A O no hydrogen 3.127 N/A HIS 206.A N LYS 202.A O no hydrogen 2.926 N/A LEU 207.A N GLY 203.A O no hydrogen 2.880 N/A TYR 208.A N MET 204.A O no hydrogen 3.029 N/A SER 209.A N GLU 205.A O no hydrogen 2.951 N/A SER 209.A OG HIS 206.A O no hydrogen 2.584 N/A MET 210.A N HIS 206.A O no hydrogen 3.306 N/A MET 210.A N LEU 207.A O no hydrogen 3.264 N/A LYS 211.A N LEU 207.A O no hydrogen 2.975 N/A LEU 219.A N SER 216.A OG no hydrogen 2.838 N/A LEU 220.A N SER 216.A O no hydrogen 2.910 N/A LEU 221.A N TYR 217.A O no hydrogen 2.759 N/A GLU 222.A N ASP 218.A O no hydrogen 2.600 N/A MET 223.A N LEU 219.A O no hydrogen 2.805 N/A LEU 224.A N LEU 220.A O no hydrogen 2.726 N/A ASP 225.A N LEU 221.A O no hydrogen 2.434 N/A ALA 226.A N LEU 224.A O no hydrogen 2.873 N/A