Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6aqs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 8.A O no hydrogen 2.773 N/A HIS 5.A N GLU 75.A OE1 no hydrogen 3.162 N/A HIS 5.A N GLU 75.A OE2 no hydrogen 3.028 N/A HIS 5.A ND1 GLU 75.A OE2 no hydrogen 2.755 N/A LEU 6.A N GLU 75.A OE1 no hydrogen 2.967 N/A LYS 7.A N LEU 3.A O no hydrogen 2.919 N/A LYS 7.A NZ ARG 4.A O no hydrogen 3.159 N/A SER 9.A N GLN 12.A OE1 no hydrogen 2.848 N/A SER 9.A OG GLN 12.A OE1 no hydrogen 3.351 N/A GLN 12.A N SER 9.A O no hydrogen 3.010 N/A ILE 13.A N LYS 10.A O no hydrogen 3.099 N/A THR 14.A OG1 VAL 16.A O no hydrogen 2.614 N/A VAL 17.A N VAL 83.A O no hydrogen 2.845 N/A LEU 18.A N LEU 58.A O no hydrogen 2.858 N/A VAL 19.A N ILE 85.A O no hydrogen 2.772 N/A VAL 20.A N VAL 60.A O no hydrogen 3.100 N/A GLY 24.A N ASP 22.A OD1 no hydrogen 2.896 N/A ARG 25.A N ASP 22.A O no hydrogen 2.875 N/A VAL 26.A N PRO 23.A O no hydrogen 3.135 N/A LYS 28.A N GLY 24.A O no hydrogen 3.225 N/A ILE 29.A N ARG 25.A O no hydrogen 2.862 N/A LYS 30.A N VAL 26.A O no hydrogen 2.879 N/A LYS 30.A NZ ASP 27.A OD1 no hydrogen 2.833 N/A LYS 30.A NZ ASP 38.A OD1 no hydrogen 2.673 N/A LYS 30.A NZ ASP 38.A OD2 no hydrogen 3.286 N/A VAL 32.A N ILE 29.A O no hydrogen 2.979 N/A CYS 33.A N LYS 30.A O no hydrogen 3.233 N/A CYS 33.A SG ILE 29.A O no hydrogen 3.541 N/A ASP 34.A N HIS 51.A O no hydrogen 2.752 N/A SER 35.A N HIS 51.A O no hydrogen 3.345 N/A VAL 37.A N GLU 49.A O no hydrogen 2.931 N/A LEU 39.A N SER 47.A O no hydrogen 2.916 N/A ALA 40.A N SER 47.A O no hydrogen 3.240 N/A ASN 42.A N TYR 45.A O no hydrogen 3.049 N/A ASN 42.A ND2 HIS 5.A O no hydrogen 2.888 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.798 N/A TYR 45.A N ASN 42.A O no hydrogen 2.871 N/A TYR 45.A OH GLY 68.A O no hydrogen 2.740 N/A LYS 46.A N SER 61.A OG no hydrogen 2.765 N/A LYS 46.A NZ ASP 27.A OD1 no hydrogen 3.133 N/A LYS 46.A NZ ASP 27.A OD2 no hydrogen 2.733 N/A SER 47.A N ALA 40.A O no hydrogen 2.874 N/A VAL 48.A N CYS 59.A O no hydrogen 2.953 N/A GLU 49.A N VAL 37.A O no hydrogen 2.845 N/A CYS 50.A N PHE 57.A O no hydrogen 2.738 N/A HIS 51.A N SER 35.A O no hydrogen 2.916 N/A HIS 51.A NE2 GLU 49.A OE1 no hydrogen 2.619 N/A TYR 52.A N GLN 55.A O no hydrogen 2.911 N/A LYS 53.A N ASP 34.A OD2 no hydrogen 2.987 N/A GLN 55.A N TYR 52.A O no hydrogen 2.883 N/A PHE 57.A N CYS 50.A O no hydrogen 3.016 N/A LEU 58.A N THR 14.A OG1 no hydrogen 2.932 N/A CYS 59.A N VAL 48.A O no hydrogen 2.807 N/A CYS 59.A SG LEU 18.A O no hydrogen 3.770 N/A VAL 60.A N LEU 18.A O no hydrogen 2.908 N/A SER 61.A N LYS 46.A O no hydrogen 2.918 N/A SER 61.A OG GLU 44.A O no hydrogen 2.675 N/A HIS 62.A N VAL 20.A O no hydrogen 2.764 N/A HIS 62.A ND1 GLY 63.A O no hydrogen 2.686 N/A GLY 63.A N GLY 21.A O no hydrogen 3.006 N/A GLY 65.A N GLU 182.A OE2 no hydrogen 2.892 N/A SER 66.A OG ASP 156.A OD1 no hydrogen 2.631 N/A SER 66.A OG ASP 156.A OD2 no hydrogen 2.948 N/A CYS 69.A N GLY 65.A O no hydrogen 2.997 N/A CYS 69.A SG GLY 65.A O no hydrogen 3.531 N/A CYS 69.A SG SER 66.A O no hydrogen 3.375 N/A ALA 70.A N SER 66.A O no hydrogen 2.914 N/A PHE 73.A N CYS 69.A O no hydrogen 2.851 N/A GLU 74.A N ALA 70.A O no hydrogen 2.845 N/A GLU 75.A N VAL 71.A O no hydrogen 3.130 N/A LEU 76.A N CYS 72.A O no hydrogen 2.999 N/A CYS 77.A N PHE 73.A O no hydrogen 2.773 N/A CYS 77.A SG PHE 73.A O no hydrogen 3.235 N/A GLN 78.A N GLU 74.A O no hydrogen 2.878 N/A GLN 78.A NE2 GLU 74.A OE1 no hydrogen 2.950 N/A ASN 79.A N LEU 76.A O no hydrogen 3.198 N/A ASN 79.A ND2 GLU 75.A O no hydrogen 2.697 N/A ALA 81.A N LEU 76.A O no hydrogen 3.117 N/A LYS 82.A N PRO 15.A O no hydrogen 2.751 N/A VAL 83.A N PRO 15.A O no hydrogen 2.912 N/A ILE 84.A N LYS 196.A O no hydrogen 2.859 N/A ILE 85.A N VAL 17.A O no hydrogen 3.010 N/A ARG 86.A N GLY 198.A O no hydrogen 2.897 N/A ARG 86.A NE GLU 180.A OE2 no hydrogen 3.100 N/A ARG 86.A NH1 GLU 180.A OE2 no hydrogen 3.327 N/A ALA 87.A N VAL 19.A O no hydrogen 2.863 N/A GLY 88.A N ILE 200.A O no hydrogen 3.013 N/A CYS 90.A N ILE 202.A O no hydrogen 2.948 N/A CYS 90.A SG GLY 91.A O no hydrogen 3.829 N/A GLY 91.A N ASP 179.A O no hydrogen 2.910 N/A SER 92.A N GLY 205.A O no hydrogen 3.204 N/A SER 92.A OG ILE 98.A O no hydrogen 2.669 N/A LEU 93.A N ALA 177.A O no hydrogen 2.792 N/A GLN 94.A N SER 92.A OG no hydrogen 3.160 N/A GLN 94.A NE2 SER 172.A O no hydrogen 2.953 N/A GLN 94.A NE2 ALA 176.A O no hydrogen 2.829 N/A LEU 97.A N GLN 94.A O no hydrogen 2.927 N/A ILE 98.A N GLN 94.A O no hydrogen 2.728 N/A LYS 99.A N ASP 102.A OD2 no hydrogen 2.733 N/A LYS 99.A NZ PRO 95.A O no hydrogen 2.936 N/A GLY 101.A N VAL 203.A O no hydrogen 2.797 N/A ASP 102.A N LYS 99.A O no hydrogen 2.937 N/A CYS 104.A N LEU 201.A O no hydrogen 2.784 N/A ILE 105.A N PHE 148.A O no hydrogen 2.878 N/A CYS 106.A N GLY 199.A O no hydrogen 2.944 N/A CYS 106.A SG GLY 150.A O no hydrogen 3.516 N/A ALA 109.A N ALA 126.A O no hydrogen 2.945 N/A VAL 110.A N SER 152.A O no hydrogen 2.831 N/A ARG 111.A NE SER 116.A OG no hydrogen 2.853 N/A ARG 111.A NH1 HIS 121.A O no hydrogen 2.825 N/A ARG 111.A NH1 PHE 124.A O no hydrogen 2.726 N/A ARG 111.A NH2 SER 116.A OG no hydrogen 3.059 N/A ARG 111.A NH2 ILE 120.A O no hydrogen 2.948 N/A GLU 112.A N VAL 110.A O no hydrogen 3.032 N/A SER 116.A N ASP 113.A OD2 no hydrogen 2.954 N/A SER 116.A OG ASP 113.A OD1 no hydrogen 2.613 N/A SER 116.A OG ASP 113.A OD2 no hydrogen 3.366 N/A LEU 118.A N ARG 114.A O no hydrogen 3.058 N/A LEU 119.A N VAL 115.A O no hydrogen 3.090 N/A LEU 119.A N SER 116.A O no hydrogen 3.089 N/A ILE 120.A N SER 116.A O no hydrogen 2.870 N/A PHE 124.A N HIS 121.A O no hydrogen 3.051 N/A GLY 128.A N ASN 107.A O no hydrogen 2.766 N/A ASP 129.A N THR 197.A O no hydrogen 2.857 N/A VAL 132.A N ASP 129.A OD2 no hydrogen 2.970 N/A TYR 133.A N ASP 129.A O no hydrogen 3.102 N/A ASP 134.A N PHE 130.A O no hydrogen 2.755 N/A THR 135.A N ASP 131.A O no hydrogen 2.836 N/A THR 135.A OG1 ASP 131.A O no hydrogen 2.711 N/A LEU 136.A N VAL 132.A O no hydrogen 2.966 N/A ASN 137.A N TYR 133.A O no hydrogen 2.974 N/A LYS 138.A N ASP 134.A O no hydrogen 2.826 N/A LYS 138.A NZ ASP 134.A OD1 no hydrogen 3.515 N/A LYS 138.A NZ ASP 134.A OD2 no hydrogen 2.858 N/A CYS 139.A N THR 135.A O no hydrogen 2.972 N/A CYS 139.A SG THR 135.A O no hydrogen 3.284 N/A ALA 140.A N LEU 136.A O no hydrogen 3.131 N/A GLN 141.A N ASN 137.A O no hydrogen 2.988 N/A GLU 142.A N LYS 138.A O no hydrogen 3.088 N/A LEU 143.A N CYS 139.A O no hydrogen 3.058 N/A ASN 144.A N GLN 141.A O no hydrogen 2.964 N/A VAL 145.A N ALA 140.A O no hydrogen 2.943 N/A PHE 148.A N ILE 103.A O no hydrogen 2.778 N/A ASN 149.A ND2 ILE 105.A O no hydrogen 3.025 N/A SER 152.A N ALA 108.A O no hydrogen 3.086 N/A SER 152.A OG GLU 180.A OE1 no hydrogen 2.796 N/A VAL 153.A N VAL 178.A O no hydrogen 2.816 N/A SER 154.A N VAL 110.A O no hydrogen 3.172 N/A SER 154.A OG GLU 180.A OE1 no hydrogen 2.670 N/A SER 155.A N GLU 180.A O no hydrogen 2.891 N/A SER 155.A OG GLU 112.A OE2 no hydrogen 2.621 N/A ASP 156.A N GLU 112.A O no hydrogen 2.942 N/A MET 157.A N SER 155.A OG no hydrogen 3.063 N/A LYS 162.A N ASN 161.A OD1 no hydrogen 2.741 N/A LEU 168.A N SER 166.A OG no hydrogen 3.225 N/A TYR 171.A N ARG 167.A O no hydrogen 2.974 N/A SER 172.A N LEU 168.A O no hydrogen 2.820 N/A SER 172.A OG LEU 93.A O no hydrogen 2.712 N/A LYS 173.A N GLU 169.A O no hydrogen 2.904 N/A ALA 174.A N ASP 170.A O no hydrogen 2.886 N/A ASN 175.A N SER 172.A O no hydrogen 3.031 N/A ALA 176.A N TYR 171.A O no hydrogen 2.956 N/A ALA 177.A N ILE 151.A O no hydrogen 2.778 N/A VAL 178.A N ILE 151.A O no hydrogen 3.444 N/A ASP 179.A N GLY 91.A O no hydrogen 2.968 N/A GLU 180.A N VAL 153.A O no hydrogen 2.877 N/A GLU 182.A N GLU 180.A OE2 no hydrogen 3.005 N/A LEU 183.A N GLU 180.A OE2 no hydrogen 2.952 N/A ALA 184.A N SER 154.A OG no hydrogen 2.911 N/A THR 185.A OG1 ASP 113.A OD2 no hydrogen 2.770 N/A LEU 186.A N GLU 182.A O no hydrogen 3.117 N/A MET 187.A N LEU 183.A O no hydrogen 2.905 N/A VAL 188.A N ALA 184.A O no hydrogen 2.981 N/A ILE 189.A N THR 185.A O no hydrogen 2.995 N/A GLY 190.A N LEU 186.A O no hydrogen 2.856 N/A THR 191.A N MET 187.A O no hydrogen 2.968 N/A THR 191.A OG1 MET 187.A O no hydrogen 3.036 N/A LEU 192.A N VAL 188.A O no hydrogen 3.084 N/A ARG 193.A N ILE 189.A O no hydrogen 2.949 N/A ARG 193.A N GLY 190.A O no hydrogen 3.225 N/A LYS 194.A N THR 191.A O no hydrogen 3.422 N/A VAL 195.A N GLY 190.A O no hydrogen 2.798 N/A LYS 196.A N LYS 82.A O no hydrogen 2.906 N/A GLY 198.A N ILE 84.A O no hydrogen 3.158 N/A ILE 200.A N ARG 86.A O no hydrogen 2.874 N/A LEU 201.A N CYS 104.A O no hydrogen 2.821 N/A ILE 202.A N GLY 88.A O no hydrogen 3.031 N/A VAL 203.A N ASP 102.A O no hydrogen 2.926 N/A ASP 204.A N CYS 90.A O no hydrogen 2.982 N/A CYS 206.A SG SER 92.A O no hydrogen 3.346 N/A GLN 210.A NE2 GLY 101.A O no hydrogen 3.148 N/A LEU 211.A N VAL 207.A O no hydrogen 3.185 N/A GLU 212.A N PRO 208.A O no hydrogen 2.988 N/A ASN 213.A N HIS 209.A O no hydrogen 3.088 N/A ASN 213.A ND2 GLN 210.A OE1 no hydrogen 2.815 N/A MET 214.A N GLN 210.A O no hydrogen 2.844 N/A ILE 215.A N LEU 211.A O no hydrogen 2.896 N/A LYS 216.A N GLU 212.A O no hydrogen 2.969 N/A LYS 216.A NZ GLU 212.A OE2 no hydrogen 2.748 N/A ILE 217.A N ASN 213.A O no hydrogen 2.917 N/A ALA 218.A N MET 214.A O no hydrogen 2.975 N/A LEU 219.A N ILE 215.A O no hydrogen 2.844 N/A GLY 220.A N LYS 216.A O no hydrogen 2.805 N/A ALA 221.A N ILE 217.A O no hydrogen 2.879 N/A CYS 222.A N ALA 218.A O no hydrogen 2.954 N/A CYS 222.A SG ALA 218.A O no hydrogen 3.309 N/A ALA 223.A N LEU 219.A O no hydrogen 3.072 N/A LYS 224.A N GLY 220.A O no hydrogen 3.112 N/A LEU 225.A N ALA 221.A O no hydrogen 2.949 N/A ALA 226.A N CYS 222.A O no hydrogen 2.798 N/A THR 227.A N ALA 223.A O no hydrogen 3.246 N/A THR 227.A N LYS 224.A O no hydrogen 3.347 N/A THR 227.A OG1 LYS 224.A O no hydrogen 2.517 N/A LYS 228.A N LEU 225.A O no hydrogen 3.185 N/A TYR 229.A N ALA 226.A O no hydrogen 3.156 N/A ALA 230.A N ALA 226.A O no hydrogen 3.084 N/A