Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8dui_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 6.A OE1 no hydrogen 2.859 N/A GLN 6.A N THR 3.A OG1 no hydrogen 3.164 N/A MET 7.A N THR 3.A O no hydrogen 2.732 N/A VAL 8.A N ALA 4.A O no hydrogen 2.969 N/A SER 9.A N ASP 5.A O no hydrogen 3.120 N/A ALA 10.A N GLN 6.A O no hydrogen 2.943 N/A LEU 11.A N MET 7.A O no hydrogen 2.997 N/A LEU 12.A N VAL 8.A O no hydrogen 2.839 N/A ASP 13.A N SER 9.A O no hydrogen 3.055 N/A ALA 14.A N ALA 10.A O no hydrogen 3.062 N/A ALA 14.A N LEU 11.A O no hydrogen 3.171 N/A GLU 15.A N LEU 12.A O no hydrogen 3.444 N/A SER 21.A N ASN 94.A OD1 no hydrogen 2.990 N/A SER 28.A N SER 25.A O no hydrogen 3.300 N/A SER 28.A OG SER 25.A O no hydrogen 3.121 N/A MET 29.A N GLU 26.A O no hydrogen 3.282 N/A LEU 32.A N SER 28.A O no hydrogen 3.099 N/A LEU 33.A N MET 29.A O no hydrogen 2.951 N/A THR 34.A N MET 30.A O no hydrogen 2.876 N/A THR 34.A OG1 MET 30.A O no hydrogen 3.064 N/A ASN 35.A N GLY 31.A O no hydrogen 2.978 N/A LEU 36.A N LEU 32.A O no hydrogen 2.976 N/A ALA 37.A N LEU 33.A O no hydrogen 2.896 N/A ASP 38.A N THR 34.A O no hydrogen 2.949 N/A ARG 39.A N ASN 35.A O no hydrogen 3.126 N/A ARG 39.A NE ASN 35.A OD1 no hydrogen 2.894 N/A ARG 39.A NH1 TYR 20.A O no hydrogen 2.955 N/A ARG 39.A NH2 TYR 20.A O no hydrogen 2.950 N/A ARG 39.A NH2 ASN 35.A OD1 no hydrogen 2.887 N/A GLU 40.A N LEU 36.A O no hydrogen 2.884 N/A LEU 41.A N ALA 37.A O no hydrogen 2.963 N/A VAL 42.A N ARG 39.A O no hydrogen 3.298 N/A MET 44.A N GLU 40.A O no hydrogen 2.871 N/A ILE 45.A N LEU 41.A O no hydrogen 3.097 N/A TRP 47.A N HIS 43.A O no hydrogen 2.950 N/A ALA 48.A N MET 44.A O no hydrogen 2.887 N/A LYS 49.A N ILE 45.A O no hydrogen 3.011 N/A ARG 50.A N TRP 47.A O no hydrogen 2.885 N/A VAL 51.A N ALA 48.A O no hydrogen 2.938 N/A PHE 54.A N VAL 51.A O no hydrogen 3.006 N/A ASP 56.A N GLY 53.A O no hydrogen 3.253 N/A LEU 57.A N PHE 54.A O no hydrogen 3.260 N/A THR 58.A N GLU 155.A OE1 no hydrogen 2.836 N/A THR 58.A OG1 GLU 155.A OE1 no hydrogen 3.530 N/A ASP 61.A N THR 58.A OG1 no hydrogen 3.234 N/A GLN 62.A N THR 58.A O no hydrogen 3.007 N/A GLN 62.A NE2 LEU 57.A O no hydrogen 2.839 N/A GLN 62.A NE2 THR 58.A O no hydrogen 3.496 N/A VAL 63.A N LEU 59.A O.A no hydrogen 2.975 N/A VAL 63.A N LEU 59.A O.B no hydrogen 2.901 N/A HIS 64.A N HIS 60.A O no hydrogen 3.016 N/A LEU 65.A N ASP 61.A O no hydrogen 2.944 N/A LEU 66.A N GLN 62.A O no hydrogen 3.056 N/A GLU 67.A N VAL 63.A O no hydrogen 2.795 N/A SER 68.A N.A HIS 64.A O no hydrogen 3.025 N/A SER 68.A N.B HIS 64.A O no hydrogen 3.017 N/A SER 68.A OG.B HIS 64.A O no hydrogen 3.078 N/A ALA 69.A N LEU 65.A O no hydrogen 3.034 N/A ALA 69.A N LEU 66.A O no hydrogen 3.208 N/A ILE 73.A N ALA 69.A O no hydrogen 2.955 N/A LEU 74.A N TRP 70.A O no hydrogen 3.070 N/A MET 75.A N LEU 71.A O no hydrogen 2.923 N/A ILE 76.A N GLU 72.A O no hydrogen 2.868 N/A GLY 77.A N ILE 73.A O no hydrogen 3.035 N/A LEU 78.A N LEU 74.A O no hydrogen 2.967 N/A VAL 79.A N MET 75.A O no hydrogen 2.837 N/A TRP 80.A N ILE 76.A O no hydrogen 2.940 N/A ARG 81.A N GLY 77.A O no hydrogen 2.997 N/A ARG 81.A NE LEU 90.A O no hydrogen 3.132 N/A ARG 81.A NH2 PHE 91.A O no hydrogen 3.208 N/A SER 82.A N LEU 78.A O no hydrogen 3.039 N/A SER 82.A N VAL 79.A O no hydrogen 3.281 N/A SER 82.A OG LEU 78.A O no hydrogen 2.728 N/A MET 83.A N TRP 80.A O no hydrogen 3.228 N/A HIS 85.A N SER 82.A O no hydrogen 2.888 N/A LYS 88.A N HIS 85.A O no hydrogen 3.083 N/A LEU 89.A N LEU 97.A O no hydrogen 2.822 N/A LEU 90.A N SER 82.A OG no hydrogen 2.762 N/A PHE 91.A N LEU 95.A O no hydrogen 3.080 N/A ALA 92.A N LEU 95.A O no hydrogen 3.373 N/A ASN 94.A ND2 SER 21.A O no hydrogen 2.928 N/A LEU 95.A N ALA 92.A O no hydrogen 2.894 N/A LEU 97.A N LEU 89.A O no hydrogen 2.946 N/A ASP 98.A N GLN 101.A OE1 no hydrogen 2.874 N/A ARG 99.A NE ASP 113.A OD1 no hydrogen 3.154 N/A ARG 99.A NE ASP 113.A OD2 no hydrogen 2.555 N/A ARG 99.A NH2 ASP 113.A OD1 no hydrogen 3.018 N/A GLN 101.A N ASP 98.A O no hydrogen 3.084 N/A GLN 101.A N ASP 98.A OD2 no hydrogen 3.141 N/A GLY 102.A N ARG 99.A O no hydrogen 2.879 N/A LYS 103.A N ASN 100.A O no hydrogen 3.464 N/A LYS 103.A NZ ASN 100.A OD1 no hydrogen 3.365 N/A MET 108.A N VAL 105.A O no hydrogen 3.319 N/A PHE 112.A N MET 108.A O no hydrogen 2.871 N/A ASP 113.A N VAL 109.A O no hydrogen 2.777 N/A MET 114.A N GLU 110.A O no hydrogen 3.098 N/A LEU 115.A N ILE 111.A O no hydrogen 2.906 N/A LEU 116.A N PHE 112.A O no hydrogen 2.984 N/A ALA 117.A N ASP 113.A O no hydrogen 2.998 N/A THR 118.A N MET 114.A O no hydrogen 3.034 N/A THR 118.A OG1 MET 114.A O no hydrogen 2.895 N/A SER 119.A N LEU 115.A O no hydrogen 3.005 N/A SER 120.A N LEU 116.A O no hydrogen 2.935 N/A ARG 121.A N ALA 117.A O no hydrogen 2.920 N/A PHE 122.A N THR 118.A O no hydrogen 2.855 N/A ARG 123.A N SER 119.A O no hydrogen 3.015 N/A ARG 123.A NE MET 83.A O no hydrogen 2.673 N/A ARG 123.A NH1 MET 83.A O no hydrogen 3.360 N/A MET 124.A N SER 120.A O no hydrogen 2.934 N/A MET 125.A N ARG 121.A O no hydrogen 3.069 N/A ASN 126.A N ARG 123.A O no hydrogen 3.064 N/A LEU 127.A N PHE 122.A O no hydrogen 3.103 N/A GLN 128.A N GLU 131.A OE1 no hydrogen 3.074 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.443 N/A PHE 132.A N GLN 128.A O no hydrogen 2.923 N/A VAL 133.A N GLY 129.A O no hydrogen 3.193 N/A CYS 134.A SG GLU 130.A O no hydrogen 3.503 N/A LEU 135.A N GLU 131.A O no hydrogen 3.039 N/A LYS 136.A N PHE 132.A O no hydrogen 2.961 N/A LYS 136.A NZ GLU 15.A OE1 no hydrogen 2.956 N/A LYS 136.A NZ GLU 15.A OE2 no hydrogen 2.696 N/A SER 137.A N VAL 133.A O no hydrogen 3.133 N/A SER 137.A OG VAL 133.A O no hydrogen 3.088 N/A ILE 138.A N CYS 134.A O no hydrogen 2.953 N/A ILE 139.A N LEU 135.A O no hydrogen 3.036 N/A LEU 140.A N LYS 136.A O no hydrogen 3.191 N/A LEU 141.A N SER 137.A O no hydrogen 3.147 N/A ASN 142.A N ILE 138.A O no hydrogen 2.757 N/A ASN 142.A ND2 TYR 146.A OH no hydrogen 2.805 N/A SER 143.A N ILE 139.A O no hydrogen 3.151 N/A SER 143.A OG GLU 72.A OE1 no hydrogen 3.439 N/A SER 143.A OG GLU 72.A OE2 no hydrogen 3.100 N/A SER 143.A OG ILE 139.A O no hydrogen 2.752 N/A VAL 145.A N ASN 142.A O no hydrogen 3.426 N/A THR 147.A N GLY 144.A O no hydrogen 3.173 N/A THR 147.A OG1 GLY 144.A O no hydrogen 3.099 N/A THR 149.A OG1 SER 152.A OG no hydrogen 2.753 N/A SER 152.A N THR 149.A OG1 no hydrogen 3.262 N/A SER 152.A OG THR 149.A OG1 no hydrogen 2.753 N/A LEU 153.A N THR 149.A O no hydrogen 3.090 N/A GLU 154.A N LEU 150.A O no hydrogen 3.165 N/A GLU 155.A N LYS 151.A O no hydrogen 2.948 N/A LYS 156.A N SER 152.A O no hydrogen 2.895 N/A ASP 157.A N LEU 153.A O no hydrogen 2.893 N/A HIS 158.A N GLU 154.A O no hydrogen 2.979 N/A HIS 158.A NE2 GLY 53.A O no hydrogen 3.039 N/A ILE 159.A N GLU 155.A O no hydrogen 2.923 N/A HIS 160.A N LYS 156.A O no hydrogen 3.048 N/A ARG 161.A N ASP 157.A O no hydrogen 3.125 N/A VAL 162.A N HIS 158.A O no hydrogen 3.037 N/A LEU 163.A N ILE 159.A O no hydrogen 2.849 N/A ASP 164.A N HIS 160.A O no hydrogen 2.911 N/A LYS 165.A N ARG 161.A O no hydrogen 2.911 N/A LYS 165.A NZ LEU 2.A O no hydrogen 3.378 N/A ILE 166.A N VAL 162.A O no hydrogen 2.932 N/A THR 167.A N LEU 163.A O no hydrogen 2.968 N/A THR 167.A OG1 LEU 163.A O no hydrogen 2.956 N/A ASP 168.A N ASP 164.A O no hydrogen 3.120 N/A THR 169.A N LYS 165.A O no hydrogen 3.135 N/A THR 169.A OG1 LYS 165.A O no hydrogen 2.951 N/A LEU 170.A N ILE 166.A O no hydrogen 2.881 N/A ILE 171.A N THR 167.A O no hydrogen 2.960 N/A HIS 172.A N ASP 168.A O no hydrogen 2.801 N/A LEU 173.A N THR 169.A O no hydrogen 2.971 N/A MET 174.A N LEU 170.A O no hydrogen 3.006 N/A ALA 175.A N ILE 171.A O no hydrogen 2.864 N/A LYS 176.A N HIS 172.A O no hydrogen 2.853 N/A ALA 177.A N LEU 173.A O no hydrogen 3.083 N/A ALA 177.A N MET 174.A O no hydrogen 3.176 N/A GLY 178.A N ALA 175.A O no hydrogen 2.842 N/A LEU 179.A N MET 174.A O no hydrogen 3.256 N/A THR 180.A N GLN 183.A OE1 no hydrogen 3.365 N/A GLN 183.A N THR 180.A OG1 no hydrogen 3.232 N/A GLN 184.A N THR 180.A O no hydrogen 2.800 N/A GLN 184.A NE2 LEU 179.A O no hydrogen 2.742 N/A HIS 185.A N LEU 181.A O no hydrogen 2.919 N/A GLN 186.A N GLN 182.A O no hydrogen 2.943 N/A ARG 187.A N GLN 183.A O no hydrogen 2.902 N/A ARG 187.A NE GLU 131.A OE2 no hydrogen 2.756 N/A ARG 187.A NH1 MET 125.A O no hydrogen 2.971 N/A ARG 187.A NH2 MET 125.A O no hydrogen 2.978 N/A ARG 187.A NH2 GLU 131.A OE1 no hydrogen 2.898 N/A ARG 187.A NH2 GLU 131.A OE2 no hydrogen 3.518 N/A LEU 188.A N GLN 184.A O no hydrogen 2.911 N/A ALA 189.A N HIS 185.A O no hydrogen 3.047 N/A GLN 190.A N GLN 186.A O no hydrogen 2.940 N/A LEU 191.A N ARG 187.A O no hydrogen 2.883 N/A LEU 192.A N LEU 188.A O no hydrogen 3.071 N/A LEU 193.A N ALA 189.A O no hydrogen 2.926 N/A ILE 194.A N GLN 190.A O no hydrogen 3.380 N/A LEU 195.A N LEU 192.A O no hydrogen 3.236 N/A SER 196.A N.A LEU 193.A O no hydrogen 3.145 N/A SER 196.A N.B LEU 193.A O no hydrogen 3.145 N/A SER 196.A OG.B LEU 193.A O no hydrogen 2.615 N/A ILE 198.A N ILE 194.A O no hydrogen 3.005 N/A ARG 199.A N.A LEU 195.A O no hydrogen 3.012 N/A ARG 199.A N.B LEU 195.A O no hydrogen 3.010 N/A ARG 199.A NH1.B SER 143.A O no hydrogen 2.970 N/A HIS 200.A N SER 196.A O.A no hydrogen 3.054 N/A HIS 200.A N SER 196.A O.B no hydrogen 3.102 N/A MET 201.A N HIS 197.A O no hydrogen 2.872 N/A SER 202.A N ILE 198.A O no hydrogen 2.990 N/A SER 202.A OG ARG 199.A O.A no hydrogen 2.916 N/A SER 202.A OG ARG 199.A O.B no hydrogen 2.936 N/A ASN 203.A N ARG 199.A O.A no hydrogen 2.979 N/A ASN 203.A N ARG 199.A O.B no hydrogen 3.005 N/A LYS 204.A N HIS 200.A O no hydrogen 2.950 N/A GLY 205.A N MET 201.A O no hydrogen 2.629 N/A MET 206.A N SER 202.A O no hydrogen 2.733 N/A GLU 207.A N ASN 203.A O no hydrogen 3.079 N/A HIS 208.A N LYS 204.A O no hydrogen 3.134 N/A HIS 208.A NE2 GLU 106.A O no hydrogen 3.028 N/A LEU 209.A N GLY 205.A O no hydrogen 3.068 N/A TYR 210.A N MET 206.A O no hydrogen 3.188 N/A SER 211.A N HIS 208.A O no hydrogen 3.151 N/A SER 211.A OG HIS 208.A O no hydrogen 2.662 N/A MET 212.A N LEU 209.A O no hydrogen 3.319 N/A LEU 220.A N SER 217.A OG no hydrogen 2.833 N/A LEU 221.A N SER 217.A O no hydrogen 3.028 N/A LEU 222.A N TYR 218.A O no hydrogen 2.892 N/A GLU 223.A N ASP 219.A O no hydrogen 2.680 N/A MET 224.A N LEU 220.A O no hydrogen 2.968 N/A LEU 225.A N LEU 221.A O no hydrogen 2.762 N/A ASP 226.A N LEU 222.A O no hydrogen 2.699 N/A ALA 227.A N LEU 225.A O no hydrogen 2.942 N/A