Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qah_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 24.A OE2 no hydrogen 3.421 N/A LYS 2.A NZ TYR 3.A O no hydrogen 2.858 N/A LYS 2.A NZ ASP 5.A OD1 no hydrogen 3.367 N/A LYS 2.A NZ GLY 27.A O no hydrogen 2.734 N/A LYS 2.A NZ GLN 29.A O no hydrogen 2.911 N/A ILE 7.A N ILE 14.A O no hydrogen 2.893 N/A HIS 8.A N LEU 32.A O no hydrogen 2.871 N/A ILE 9.A N TYR 12.A O no hydrogen 2.847 N/A TYR 12.A N ILE 9.A O no hydrogen 2.862 N/A TYR 12.A OH TYR 147.A OH no hydrogen 3.275 N/A ILE 14.A N ILE 7.A O no hydrogen 2.887 N/A ALA 16.A N ASP 5.A O no hydrogen 2.736 N/A TRP 17.A N LEU 94.A O no hydrogen 2.862 N/A TYR 18.A N LEU 94.A O no hydrogen 2.866 N/A SER 20.A OG LEU 90.A O no hydrogen 2.611 N/A PHE 22.A N SER 20.A O no hydrogen 2.777 N/A ASP 25.A N ASP 25.A OD1 no hydrogen 2.497 N/A TYR 26.A N PRO 23.A O no hydrogen 2.784 N/A GLY 27.A N GLU 24.A O no hydrogen 3.053 N/A GLN 29.A NE2 ASP 25.A O no hydrogen 2.794 N/A GLN 29.A NE2 TYR 26.A O no hydrogen 3.275 N/A LYS 31.A NZ GLU 13.A OE2 no hydrogen 2.518 N/A LEU 32.A N LYS 6.A O no hydrogen 2.945 N/A TRP 33.A N MET 42.A O no hydrogen 2.917 N/A LEU 34.A N HIS 8.A O no hydrogen 2.831 N/A CYS 35.A N LYS 40.A O no hydrogen 3.025 N/A CYS 35.A SG HIS 51.A NE2 no hydrogen 3.558 N/A TYR 37.A OH HIS 121.A NE2 no hydrogen 3.184 N/A CYS 38.A SG HIS 51.A NE2 no hydrogen 3.519 N/A LEU 39.A N CYS 35.A O no hydrogen 2.933 N/A MET 42.A N TRP 33.A O no hydrogen 2.633 N/A LYS 43.A NZ ASP 25.A OD2 no hydrogen 3.083 N/A SER 47.A OG TYR 44.A O no hydrogen 2.973 N/A TYR 48.A N TYR 44.A O no hydrogen 2.953 N/A TYR 48.A OH GLY 10.A O no hydrogen 3.269 N/A ARG 49.A N GLU 45.A O no hydrogen 2.718 N/A PHE 50.A N LYS 46.A O no hydrogen 2.979 N/A HIS 51.A N SER 47.A O no hydrogen 2.822 N/A LEU 52.A N TYR 48.A O no hydrogen 2.934 N/A GLY 53.A N ARG 49.A O no hydrogen 3.430 N/A GLN 54.A N HIS 51.A O no hydrogen 2.883 N/A CYS 55.A N HIS 51.A O no hydrogen 2.674 N/A ARG 58.A NH1 CYS 55.A O no hydrogen 2.861 N/A ARG 58.A NH1 TRP 57.A O no hydrogen 3.152 N/A GLN 59.A NE2 TYR 74.A OH no hydrogen 2.431 N/A LYS 63.A N GLU 75.A O no hydrogen 3.081 N/A ILE 65.A N VAL 73.A O no hydrogen 2.998 N/A TYR 66.A N VAL 73.A O no hydrogen 3.366 N/A ARG 67.A NH1 GLU 64.A OE1 no hydrogen 3.093 N/A ARG 67.A NH1 GLU 64.A OE2 no hydrogen 3.540 N/A LYS 68.A N ILE 71.A O no hydrogen 2.870 N/A LYS 68.A NZ ASP 263.A OD2 no hydrogen 2.931 N/A ILE 71.A N LYS 68.A O no hydrogen 2.974 N/A SER 72.A N THR 113.A O no hydrogen 3.126 N/A SER 72.A OG GLU 64.A OE2 no hydrogen 2.633 N/A VAL 73.A N TYR 66.A O no hydrogen 2.964 N/A TYR 74.A N ILE 111.A O no hydrogen 2.937 N/A GLU 75.A N LYS 63.A O no hydrogen 2.747 N/A VAL 76.A N PHE 109.A O no hydrogen 2.714 N/A GLY 78.A N PHE 107.A O no hydrogen 2.781 N/A LYS 79.A N ASP 77.A OD1 no hydrogen 2.827 N/A LYS 79.A NZ GLU 105.A OE1 no hydrogen 3.104 N/A ASP 80.A N ASP 77.A O no hydrogen 3.045 N/A HIS 81.A N ASP 77.A O no hydrogen 3.102 N/A CYS 85.A N HIS 81.A O no hydrogen 3.113 N/A CYS 85.A SG HIS 81.A O no hydrogen 3.319 N/A GLN 86.A N LYS 82.A O no hydrogen 2.826 N/A GLN 86.A NE2 PHE 102.A O no hydrogen 3.049 N/A ASN 87.A N ILE 83.A O no hydrogen 2.857 N/A ASN 87.A ND2 CYS 38.A O no hydrogen 3.402 N/A LEU 88.A N TYR 84.A O no hydrogen 2.807 N/A CYS 89.A N CYS 85.A O no hydrogen 2.970 N/A CYS 89.A SG CYS 85.A O no hydrogen 3.255 N/A CYS 89.A SG LEU 100.A O no hydrogen 3.894 N/A LEU 90.A N GLN 86.A O no hydrogen 3.075 N/A LEU 91.A N ASN 87.A O no hydrogen 3.061 N/A ALA 92.A N LEU 88.A O no hydrogen 2.870 N/A LYS 93.A N CYS 89.A O no hydrogen 2.980 N/A LYS 93.A NZ PHE 19.A O no hydrogen 2.991 N/A LYS 93.A NZ LYS 93.A O no hydrogen 3.069 N/A LYS 93.A NZ LEU 96.A O no hydrogen 2.807 N/A LEU 94.A N LEU 91.A O no hydrogen 3.035 N/A PHE 95.A N ALA 92.A O no hydrogen 2.899 N/A PHE 107.A N VAL 104.A O no hydrogen 2.906 N/A VAL 108.A N LYS 128.A O no hydrogen 2.947 N/A PHE 109.A N VAL 76.A O no hydrogen 2.757 N/A TYR 110.A N PHE 126.A O no hydrogen 2.938 N/A TYR 110.A OH GLU 75.A OE2 no hydrogen 2.708 N/A ILE 111.A N TYR 74.A O no hydrogen 2.818 N/A LEU 112.A N GLY 124.A O no hydrogen 2.886 N/A THR 113.A N SER 72.A O no hydrogen 2.878 N/A THR 113.A OG1 SER 72.A O no hydrogen 2.982 N/A GLU 114.A N HIS 121.A O no hydrogen 2.938 N/A VAL 115.A N ASN 70.A O no hydrogen 2.783 N/A ASP 116.A N GLY 119.A O no hydrogen 3.138 N/A GLN 118.A N ASP 116.A OD1 no hydrogen 2.712 N/A GLY 119.A N ASP 116.A OD1 no hydrogen 3.101 N/A ALA 120.A N ARG 58.A O no hydrogen 2.761 N/A HIS 121.A N GLU 114.A O no hydrogen 2.855 N/A HIS 121.A ND1 GLU 114.A O no hydrogen 3.234 N/A VAL 123.A N LEU 112.A O no hydrogen 2.883 N/A TYR 125.A N LEU 142.A O no hydrogen 2.898 N/A PHE 126.A N TYR 110.A O no hydrogen 3.156 N/A SER 127.A N CYS 140.A O no hydrogen 2.799 N/A SER 127.A OG CYS 140.A O no hydrogen 3.471 N/A LYS 128.A N VAL 108.A O no hydrogen 2.861 N/A LYS 128.A NZ GLU 167.A OE1 no hydrogen 2.804 N/A LYS 130.A N PRO 106.A O no hydrogen 2.993 N/A LYS 130.A NZ ASP 77.A OD1 no hydrogen 2.564 N/A LYS 130.A NZ ASP 77.A OD2 no hydrogen 3.200 N/A LYS 130.A NZ GLU 105.A O no hydrogen 2.904 N/A SER 132.A OG ASN 136.A O no hydrogen 3.561 N/A GLY 135.A N SER 132.A O no hydrogen 3.068 N/A ASN 136.A N SER 132.A OG no hydrogen 2.940 N/A ASN 137.A N SER 172.A O no hydrogen 2.987 N/A ASN 137.A ND2 SER 160.A O no hydrogen 3.645 N/A ASN 137.A ND2 SER 164.A OG no hydrogen 3.027 N/A ALA 139.A N SER 127.A O no hydrogen 2.869 N/A CYS 140.A N SER 127.A OG no hydrogen 3.040 N/A LEU 142.A N TYR 125.A O no hydrogen 2.962 N/A LEU 144.A N VAL 123.A O no hydrogen 2.988 N/A TYR 147.A N LEU 144.A O no hydrogen 2.710 N/A TYR 147.A OH GLU 114.A OE1 no hydrogen 2.759 N/A GLN 148.A N PRO 145.A O no hydrogen 3.165 N/A GLN 148.A NE2 THR 143.A O no hydrogen 2.844 N/A PHE 155.A N GLY 151.A O no hydrogen 3.052 N/A LEU 156.A N TYR 152.A O no hydrogen 3.177 N/A ILE 157.A N GLY 153.A O no hydrogen 3.010 N/A ALA 158.A N LYS 154.A O no hydrogen 2.832 N/A PHE 159.A N PHE 155.A O no hydrogen 2.770 N/A SER 160.A N LEU 156.A O no hydrogen 2.925 N/A SER 160.A OG ILE 157.A O no hydrogen 2.582 N/A TYR 161.A N ILE 157.A O no hydrogen 3.249 N/A GLU 162.A N ALA 158.A O no hydrogen 3.004 N/A LEU 163.A N PHE 159.A O no hydrogen 3.086 N/A SER 164.A N SER 160.A O no hydrogen 3.133 N/A SER 164.A OG SER 160.A O no hydrogen 3.150 N/A LYS 165.A N TYR 161.A O no hydrogen 2.778 N/A LYS 165.A NZ GLU 162.A OE2 no hydrogen 2.940 N/A LEU 166.A N GLU 162.A O no hydrogen 3.210 N/A GLU 167.A N LEU 163.A O no hydrogen 2.964 N/A GLU 167.A N SER 164.A O no hydrogen 2.944 N/A SER 168.A N LYS 165.A O no hydrogen 2.821 N/A THR 169.A N SER 164.A O no hydrogen 3.249 N/A THR 169.A OG1 VAL 170.A O no hydrogen 3.191 N/A GLY 171.A N SER 214.A O no hydrogen 2.930 N/A SER 172.A N GLY 135.A O no hydrogen 3.051 N/A SER 172.A OG ASP 219.A OD2 no hydrogen 3.472 N/A GLU 174.A N VAL 138.A O no hydrogen 2.772 N/A LYS 175.A NZ PRO 173.A O no hydrogen 3.212 N/A GLY 181.A N SER 178.A OG no hydrogen 2.765 N/A LYS 182.A N SER 178.A O no hydrogen 2.942 N/A LYS 182.A NZ LEU 177.A O no hydrogen 3.244 N/A LEU 183.A N ASP 179.A O no hydrogen 3.174 N/A SER 184.A N LEU 180.A O no hydrogen 2.909 N/A SER 184.A OG LEU 180.A O no hydrogen 2.702 N/A TYR 185.A N GLY 181.A O no hydrogen 2.971 N/A ARG 186.A N LYS 182.A O no hydrogen 3.088 N/A ARG 186.A NH1 SER 222.A OG no hydrogen 3.120 N/A SER 187.A N LEU 183.A O no hydrogen 3.111 N/A SER 187.A OG GLN 254.A O no hydrogen 3.059 N/A TYR 188.A N SER 184.A O no hydrogen 2.922 N/A TRP 189.A N TYR 185.A O no hydrogen 2.827 N/A TRP 189.A NE1 TYR 161.A OH no hydrogen 3.042 N/A SER 190.A N ARG 186.A O no hydrogen 3.009 N/A SER 190.A OG ARG 186.A O no hydrogen 2.838 N/A TRP 191.A N SER 187.A O no hydrogen 3.085 N/A VAL 192.A N TYR 188.A O no hydrogen 3.002 N/A LEU 193.A N TRP 189.A O no hydrogen 2.929 N/A LEU 194.A N SER 190.A O no hydrogen 2.914 N/A GLU 195.A N TRP 191.A O no hydrogen 3.064 N/A ILE 196.A N VAL 192.A O no hydrogen 3.235 N/A LEU 197.A N LEU 193.A O no hydrogen 2.850 N/A ARG 198.A N LEU 194.A O no hydrogen 2.831 N/A ARG 198.A NE ASP 199.A OD1 no hydrogen 3.300 N/A ARG 198.A NH1 ASP 199.A OD1 no hydrogen 3.330 N/A ARG 198.A NH1 ASP 199.A OD2 no hydrogen 3.165 N/A ASP 199.A N GLU 195.A O no hydrogen 3.210 N/A PHE 200.A N ILE 196.A O no hydrogen 2.833 N/A SER 205.A N ASP 208.A OD1 no hydrogen 2.728 N/A SER 205.A OG ASP 208.A OD1 no hydrogen 2.530 N/A LYS 207.A NZ GLN 217.A OE1 no hydrogen 3.121 N/A ASP 208.A N SER 205.A OG no hydrogen 3.388 N/A LEU 209.A N SER 205.A O no hydrogen 3.023 N/A SER 210.A N ILE 206.A O no hydrogen 2.884 N/A SER 210.A OG ILE 215.A O no hydrogen 2.671 N/A GLN 211.A N LYS 207.A O no hydrogen 3.191 N/A MET 212.A N ASP 208.A O no hydrogen 2.925 N/A THR 213.A N LEU 209.A O no hydrogen 3.062 N/A THR 213.A N SER 210.A O no hydrogen 3.315 N/A THR 213.A OG1 LEU 209.A O no hydrogen 2.907 N/A SER 214.A N SER 210.A O no hydrogen 2.750 N/A SER 214.A OG THR 169.A O no hydrogen 2.874 N/A ILE 215.A N THR 213.A OG1 no hydrogen 3.019 N/A ASP 219.A N THR 216.A OG1 no hydrogen 3.337 N/A ILE 220.A N THR 216.A O no hydrogen 2.976 N/A ILE 221.A N GLN 217.A O no hydrogen 2.861 N/A SER 222.A N ASN 218.A O no hydrogen 3.060 N/A SER 222.A OG ASN 218.A O no hydrogen 3.173 N/A SER 222.A OG ASP 219.A O no hydrogen 3.263 N/A THR 223.A N ASP 219.A O no hydrogen 3.048 N/A THR 223.A OG1 ASP 219.A O no hydrogen 2.730 N/A LEU 224.A N ILE 220.A O no hydrogen 2.832 N/A GLN 225.A N ILE 221.A O no hydrogen 2.869 N/A SER 226.A N SER 222.A O no hydrogen 3.089 N/A SER 226.A OG THR 223.A O no hydrogen 2.945 N/A LEU 227.A N THR 223.A O no hydrogen 3.150 N/A ASN 228.A N GLN 225.A O no hydrogen 2.976 N/A MET 229.A N LEU 224.A O no hydrogen 2.836 N/A LYS 231.A N VAL 238.A O no hydrogen 2.920 N/A TRP 233.A N GLN 236.A O no hydrogen 2.814 N/A GLN 236.A N TRP 233.A O no hydrogen 2.921 N/A VAL 238.A N LYS 231.A O no hydrogen 2.622 N/A CYS 240.A N MET 229.A O no hydrogen 2.832 N/A THR 242.A OG1 THR 242.A O no hydrogen 2.350 N/A LEU 245.A N THR 242.A O no hydrogen 2.877 N/A GLU 247.A N PRO 243.A O no hydrogen 3.376 N/A GLU 248.A N LYS 244.A O no hydrogen 3.176 N/A HIS 249.A N LEU 245.A O no hydrogen 2.912 N/A LEU 250.A N VAL 246.A O no hydrogen 2.980 N/A LYS 251.A N GLU 248.A O no hydrogen 3.039 N/A SER 252.A N GLU 248.A O no hydrogen 3.317 N/A SER 252.A N HIS 249.A O no hydrogen 3.219 N/A SER 252.A OG HIS 249.A O no hydrogen 2.717 N/A TYR 255.A N SER 252.A O no hydrogen 3.447 N/A LYS 256.A N SER 252.A O no hydrogen 3.234 N/A ASP 263.A N TYR 66.A OH no hydrogen 2.971 N/A VAL 265.A N ASP 263.A OD1 no hydrogen 2.922 N/A CYS 266.A N ASP 263.A O no hydrogen 2.788 N/A LEU 267.A N SER 264.A O no hydrogen 3.221 N/A LYS 268.A N ILE 65.A O no hydrogen 2.828 N/A TRP 269.A NE1 GLU 75.A OE2 no hydrogen 2.823 N/A