Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5aci_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 TYR 64.A O no hydrogen 2.948 N/A THR 1.A OG1 ILE 72.A O no hydrogen 2.823 N/A LEU 2.A N TYR 64.A O no hydrogen 2.916 N/A TRP 4.A N GLU 62.A O no hydrogen 2.723 N/A VAL 6.A N TYR 20.A OH no hydrogen 2.914 N/A TRP 7.A N THR 60.A O no hydrogen 2.844 N/A TRP 7.A NE1 GLU 62.A OE1 no hydrogen 2.866 N/A VAL 8.A N VAL 11.A O no hydrogen 2.910 N/A ASN 9.A N THR 58.A O no hydrogen 2.767 N/A ASN 9.A ND2 ASP 57.A OD1 no hydrogen 3.092 N/A VAL 11.A N VAL 8.A O no hydrogen 2.907 N/A GLN 13.A N VAL 6.A O no hydrogen 2.872 N/A GLN 13.A NE2 VAL 11.A O no hydrogen 3.046 N/A GLY 14.A N ASP 12.A OD1 no hydrogen 2.905 N/A GLY 16.A N TRP 4.A O no hydrogen 2.904 N/A ARG 17.A N ASP 15.A OD1 no hydrogen 3.062 N/A ARG 17.A NE ASP 15.A OD1 no hydrogen 2.895 N/A ARG 17.A NE ASP 15.A OD2 no hydrogen 3.390 N/A ARG 17.A NH1 TYR 64.A OH no hydrogen 3.052 N/A ARG 17.A NH2 ASP 15.A OD2 no hydrogen 2.824 N/A ASN 18.A N SER 23.A OG no hydrogen 3.114 N/A ILE 19.A N GLY 16.A O no hydrogen 2.836 N/A TYR 20.A N GLY 16.A O no hydrogen 2.969 N/A TYR 20.A OH GLY 14.A O no hydrogen 2.490 N/A ILE 21.A N GLY 16.A O no hydrogen 2.897 N/A ARG 22.A N CYS 166.A O no hydrogen 2.971 N/A ARG 22.A NE GLN 168.A OE1 no hydrogen 2.791 N/A ARG 22.A NH1 ASN 44.A OD1 no hydrogen 2.798 N/A ARG 22.A NH1 ASN 91.A OD1 no hydrogen 2.842 N/A ARG 22.A NH2 GLN 168.A OE1 no hydrogen 3.110 N/A SER 23.A N ILE 21.A O no hydrogen 2.863 N/A SER 23.A OG ILE 21.A O no hydrogen 3.386 N/A ASN 27.A ND2 HIS 65.A O no hydrogen 3.050 N/A VAL 30.A N PHE 162.A O no hydrogen 2.923 N/A LYS 31.A NZ PRO 156.A O no hydrogen 3.037 N/A LYS 31.A NZ ARG 158.A O no hydrogen 2.913 N/A THR 34.A N ASN 32.A OD1 no hydrogen 3.118 N/A THR 34.A OG1 ASN 32.A OD1 no hydrogen 3.054 N/A SER 35.A N ASN 32.A O no hydrogen 3.039 N/A ASP 37.A N SER 35.A OG no hydrogen 2.930 N/A MET 38.A N SER 35.A O no hydrogen 3.021 N/A THR 39.A N PRO 36.A O no hydrogen 3.102 N/A THR 39.A OG1 PRO 36.A O no hydrogen 3.127 N/A THR 39.A OG1 PHE 186.A O no hydrogen 2.583 N/A ASN 41.A N ASP 37.A O no hydrogen 2.785 N/A ASN 44.A ND2 ASN 91.A O no hydrogen 3.665 N/A ASN 44.A ND2 ASN 91.A OD1 no hydrogen 3.515 N/A ARG 45.A NH1 SER 23.A O no hydrogen 2.983 N/A ARG 45.A NH1 ASP 43.A O no hydrogen 2.872 N/A ARG 45.A NH2 ASN 18.A OD1 no hydrogen 2.748 N/A VAL 47.A N GLN 168.A OE1 no hydrogen 3.012 N/A LYS 49.A N ILE 19.A O no hydrogen 2.871 N/A SER 50.A OG THR 170.A OG1 no hydrogen 2.708 N/A VAL 51.A N GLN 168.A O no hydrogen 2.936 N/A VAL 53.A N THR 170.A O no hydrogen 2.806 N/A ASN 54.A N ASP 57.A OD2 no hydrogen 2.922 N/A ALA 55.A N SER 173.A O no hydrogen 2.890 N/A GLY 56.A N VAL 128.A O no hydrogen 2.773 N/A ASP 57.A N ASN 54.A O no hydrogen 3.059 N/A THR 58.A N ASN 9.A OD1 no hydrogen 2.830 N/A LEU 59.A N VAL 126.A O no hydrogen 2.830 N/A THR 60.A N TRP 7.A O no hydrogen 2.878 N/A THR 60.A OG1 SER 125.A OG no hydrogen 2.636 N/A PHE 61.A N HIS 124.A O no hydrogen 2.757 N/A GLU 62.A N GLY 5.A O no hydrogen 2.970 N/A TRP 63.A N GLY 122.A O no hydrogen 2.816 N/A TYR 64.A N LEU 2.A O no hydrogen 2.780 N/A HIS 65.A N ASP 70.A OD1 no hydrogen 2.956 N/A HIS 65.A ND1 ASP 71.A OD1 no hydrogen 2.897 N/A ASN 66.A N ASP 70.A OD2 no hydrogen 2.658 N/A THR 67.A N ASP 70.A OD2 no hydrogen 2.983 N/A ARG 68.A NE GLU 62.A OE2 no hydrogen 2.959 N/A ARG 68.A NH1 ASP 12.A OD2 no hydrogen 3.504 N/A ARG 68.A NH1 GLU 234.A OE1 no hydrogen 3.313 N/A ARG 68.A NH2 ASP 12.A OD2 no hydrogen 2.987 N/A ARG 68.A NH2 GLU 62.A OE1 no hydrogen 2.791 N/A ILE 72.A N ASP 70.A OD1 no hydrogen 2.960 N/A ILE 73.A N ASP 71.A O no hydrogen 2.808 N/A SER 76.A OG HIS 77.A ND1 no hydrogen 2.865 N/A HIS 77.A N ALA 74.A O no hydrogen 2.994 N/A HIS 77.A ND1 SER 76.A OG no hydrogen 2.865 N/A HIS 78.A N SER 76.A O no hydrogen 2.799 N/A HIS 78.A ND1 ASP 115.A OD1 no hydrogen 2.722 N/A ILE 81.A N ASP 103.A O no hydrogen 2.868 N/A ALA 82.A N GLU 141.A O no hydrogen 2.947 N/A VAL 83.A N PHE 101.A O no hydrogen 3.160 N/A TYR 84.A N ARG 139.A O no hydrogen 2.833 N/A TYR 84.A OH TYR 190.A OH no hydrogen 2.640 N/A ILE 85.A N VAL 98.A O no hydrogen 2.844 N/A ALA 86.A N LEU 137.A O no hydrogen 2.988 N/A ALA 88.A N ASP 135.A O no hydrogen 2.865 N/A SER 90.A N PRO 87.A O no hydrogen 3.202 N/A SER 90.A OG PRO 87.A O no hydrogen 2.566 N/A ASN 91.A N ALA 88.A O no hydrogen 2.928 N/A GLY 92.A N SER 90.A OG no hydrogen 2.908 N/A GLN 93.A N SER 90.A O no hydrogen 3.017 N/A VAL 96.A N VAL 184.A O no hydrogen 3.233 N/A TRP 97.A N VAL 184.A O no hydrogen 2.897 N/A TRP 97.A NE1 GLY 92.A O no hydrogen 3.020 N/A VAL 98.A N ILE 85.A O no hydrogen 2.926 N/A LYS 99.A NZ GLU 102.A OE1 no hydrogen 2.774 N/A LYS 99.A NZ PRO 212.A O no hydrogen 2.863 N/A LYS 99.A NZ PRO 214.A O no hydrogen 2.778 N/A LEU 100.A N VAL 83.A O no hydrogen 2.834 N/A PHE 101.A N VAL 83.A O no hydrogen 3.294 N/A ASP 103.A N ILE 81.A O no hydrogen 2.855 N/A ASN 106.A N THR 111.A O no hydrogen 2.882 N/A SER 110.A N ASN 106.A O no hydrogen 2.658 N/A SER 110.A N VAL 107.A O no hydrogen 3.266 N/A SER 110.A OG VAL 107.A O no hydrogen 3.371 N/A THR 111.A N ASN 106.A O no hydrogen 3.355 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 2.918 N/A TRP 112.A N ASP 115.A OD2 no hydrogen 2.804 N/A ALA 113.A N ALA 104.A O no hydrogen 2.896 N/A VAL 114.A N GLY 79.A O no hydrogen 3.122 N/A ARG 116.A N TRP 112.A O no hydrogen 3.154 N/A ARG 116.A NE THR 111.A OG1 no hydrogen 2.822 N/A ARG 116.A NH1 ASP 103.A OD1 no hydrogen 3.423 N/A ARG 116.A NH1 ASP 103.A OD2 no hydrogen 2.923 N/A ARG 116.A NH2 ASP 103.A OD1 no hydrogen 2.855 N/A ARG 116.A NH2 THR 111.A O no hydrogen 3.007 N/A LEU 117.A N ALA 113.A O no hydrogen 2.854 N/A ILE 118.A N VAL 114.A O no hydrogen 3.126 N/A THR 119.A N ASP 115.A O no hydrogen 3.347 N/A THR 119.A OG1 ASP 115.A O no hydrogen 3.284 N/A ALA 120.A N ARG 116.A O no hydrogen 2.782 N/A HIS 121.A N ILE 118.A O no hydrogen 2.957 N/A HIS 121.A ND1 ASP 69.A OD1 no hydrogen 2.744 N/A GLY 122.A N LEU 117.A O no hydrogen 2.914 N/A GLN 123.A N ALA 120.A O no hydrogen 3.201 N/A GLN 123.A NE2 GLY 229.A O no hydrogen 2.876 N/A HIS 124.A N PHE 61.A O no hydrogen 3.102 N/A SER 125.A N SER 224.A O no hydrogen 2.840 N/A SER 125.A OG THR 60.A OG1 no hydrogen 2.636 N/A VAL 126.A N LEU 59.A O no hydrogen 2.949 N/A VAL 127.A N GLY 222.A O no hydrogen 3.075 N/A VAL 128.A N ASP 57.A O no hydrogen 2.843 N/A GLY 134.A N ILE 171.A O no hydrogen 2.960 N/A TYR 136.A N ILE 169.A O no hydrogen 2.792 N/A TYR 136.A OH ALA 132.A O no hydrogen 2.546 N/A LEU 137.A N ALA 86.A O no hydrogen 2.862 N/A PHE 138.A N ALA 167.A O no hydrogen 2.875 N/A ARG 139.A N TYR 84.A O no hydrogen 2.739 N/A ARG 139.A NE MET 38.A O no hydrogen 3.181 N/A ARG 139.A NE THR 39.A O no hydrogen 2.839 N/A ARG 139.A NH1 GLU 141.A OE2 no hydrogen 2.775 N/A ARG 139.A NH2 MET 38.A O no hydrogen 2.731 N/A ARG 139.A NH2 GLU 141.A OE2 no hydrogen 2.834 N/A ALA 140.A N SER 165.A O no hydrogen 2.896 N/A GLU 141.A N ALA 82.A O no hydrogen 2.831 N/A ILE 142.A N TYR 163.A O no hydrogen 2.848 N/A ILE 143.A N PRO 80.A O no hydrogen 3.070 N/A ALA 144.A N GLN 161.A O no hydrogen 2.841 N/A LEU 145.A N HIS 78.A O no hydrogen 2.913 N/A ALA 148.A N LEU 145.A O no hydrogen 3.033 N/A SER 150.A N GLU 147.A O no hydrogen 3.444 N/A SER 153.A OG ASP 192.A OD1 no hydrogen 3.400 N/A SER 153.A OG ASP 192.A OD2 no hydrogen 2.506 N/A GLN 154.A N LEU 151.A O no hydrogen 2.945 N/A GLN 154.A NE2.A SER 153.A OG no hydrogen 2.930 N/A ASN 155.A N LEU 151.A O no hydrogen 2.833 N/A ILE 157.A N ASN 155.A OD1 no hydrogen 3.036 N/A ARG 158.A N ASN 155.A O no hydrogen 3.080 N/A ARG 158.A NE SER 150.A OG no hydrogen 3.185 N/A ARG 158.A NH2 ASP 149.A OD1 no hydrogen 2.745 N/A ARG 158.A NH2 ASP 149.A OD2 no hydrogen 3.457 N/A GLY 159.A N GLU 147.A O no hydrogen 2.952 N/A GLN 161.A N ALA 144.A O no hydrogen 2.974 N/A PHE 162.A N VAL 30.A O no hydrogen 2.804 N/A TYR 163.A N ILE 142.A O no hydrogen 2.896 N/A TYR 163.A OH GLN 161.A OE1 no hydrogen 2.596 N/A SER 165.A N ALA 140.A O no hydrogen 2.887 N/A CYS 166.A SG THR 39.A O no hydrogen 3.632 N/A ALA 167.A N PHE 138.A O no hydrogen 2.900 N/A GLN 168.A N TYR 20.A O no hydrogen 2.829 N/A GLN 168.A NE2 VAL 47.A O no hydrogen 2.863 N/A GLN 168.A NE2 LYS 49.A O no hydrogen 2.958 N/A ILE 169.A N TYR 136.A O no hydrogen 2.979 N/A THR 170.A N VAL 51.A O no hydrogen 2.788 N/A THR 170.A OG1 SER 50.A OG no hydrogen 2.708 N/A THR 170.A OG1 ASP 135.A OD1 no hydrogen 2.733 N/A ILE 171.A N GLY 134.A O no hydrogen 2.862 N/A ASN 172.A N VAL 53.A O no hydrogen 2.752 N/A SER 173.A N ASN 54.A OD1 no hydrogen 2.856 N/A SER 174.A OG VAL 131.A O no hydrogen 2.631 N/A ASP 176.A N SER 174.A OG no hydrogen 3.190 N/A SER 177.A N ASP 175.A OD1 no hydrogen 2.892 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 2.930 N/A THR 178.A N HIS 130.A O no hydrogen 2.950 N/A THR 178.A OG1 THR 178.A O no hydrogen 2.569 N/A GLY 183.A N.A ASN 95.A O no hydrogen 2.845 N/A VAL 184.A N TRP 97.A O no hydrogen 2.887 N/A ALA 189.A N PRO 185.A O no hydrogen 2.755 N/A TYR 190.A OH TYR 84.A OH no hydrogen 2.640 N/A TYR 190.A OH GLU 141.A OE1 no hydrogen 2.580 N/A THR 191.A N THR 194.A OG1 no hydrogen 2.881 N/A THR 191.A OG1 SER 193.A OG.A no hydrogen 3.017 N/A THR 191.A OG1 THR 194.A OG1 no hydrogen 3.110 N/A SER 193.A N THR 191.A OG1 no hydrogen 3.390 N/A SER 193.A OG.A THR 191.A OG1 no hydrogen 3.017 N/A THR 194.A N THR 191.A O no hydrogen 3.063 N/A THR 194.A OG1 THR 191.A O no hydrogen 3.212 N/A THR 194.A OG1 THR 191.A OG1 no hydrogen 3.110 N/A ILE 197.A N THR 194.A O no hydrogen 3.211 N/A GLN 198.A NE2 ASP 149.A O no hydrogen 2.665 N/A PHE 199.A N ALA 148.A O no hydrogen 3.025 N/A TYR 202.A N ASN 200.A OD1 no hydrogen 2.846 N/A TYR 202.A OH HIS 146.A O no hydrogen 2.951 N/A THR 203.A N ASN 200.A OD1 no hydrogen 3.197 N/A THR 204.A N ASN 200.A O no hydrogen 3.017 N/A THR 204.A OG1 ASN 200.A O no hydrogen 3.371 N/A SER 208.A N PRO 205.A O no hydrogen 2.850 N/A TYR 209.A N ALA 206.A O no hydrogen 2.936 N/A TYR 209.A OH GLY 196.A O no hydrogen 2.701 N/A TRP 217.A N LYS 99.A O no hydrogen 2.922 N/A ALA 220.A N TRP 217.A O no hydrogen 3.022 N/A SER 224.A N SER 125.A O no hydrogen 2.981 N/A ALA 226.A N GLN 123.A O no hydrogen 3.075 N/A GLN 227.A NE2 GLY 229.A O no hydrogen 3.103 N/A VAL 228.A N GLN 123.A OE1 no hydrogen 2.777 N/A GLY 229.A N GLN 123.A OE1 no hydrogen 3.069 N/A SER 232.A OG ASP 230.A OD1 no hydrogen 2.560 N/A SER 232.A OG ASP 230.A OD2 no hydrogen 3.419 N/A LEU 233.A N ASP 230.A O no hydrogen 3.205 N/A GLU 234.A N ALA 231.A O no hydrogen 2.968 N/A