Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qsd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N TRP 207.A O no hydrogen 2.932 N/A SER 8.A N ILE 205.A O no hydrogen 2.911 N/A SER 8.A OG ILE 205.A O no hydrogen 2.717 N/A ARG 9.A N ASP 7.A OD1 no hydrogen 2.963 N/A ARG 9.A NE ASP 7.A OD1 no hydrogen 2.954 N/A ARG 9.A NE ASP 7.A OD2 no hydrogen 3.254 N/A ARG 9.A NH2 ASP 7.A OD2 no hydrogen 2.828 N/A LYS 10.A N ASP 7.A O no hydrogen 2.881 N/A LYS 11.A N ASP 7.A O no hydrogen 3.222 N/A LYS 11.A NZ MET 166.A O no hydrogen 2.808 N/A TRP 12.A N SER 8.A O no hydrogen 3.117 N/A CYS 15.A N TRP 12.A O no hydrogen 3.030 N/A SER 17.A OG ASP 41.A OD1 no hydrogen 2.688 N/A ILE 18.A N CYS 15.A O no hydrogen 3.176 N/A THR 20.A N SER 17.A O no hydrogen 2.962 N/A THR 20.A OG1 LYS 16.A O no hydrogen 2.872 N/A ARG 22.A NH1 LEU 55.A O no hydrogen 2.922 N/A ARG 22.A NH2 LEU 55.A O no hydrogen 3.001 N/A GLN 24.A N SER 221.A O no hydrogen 2.879 N/A GLN 24.A NE2 CYS 27.A O no hydrogen 2.837 N/A SER 25.A N ASP 23.A OD1 no hydrogen 2.755 N/A SER 25.A OG PRO 106.A O no hydrogen 2.657 N/A ARG 26.A NE CYS 119.A O no hydrogen 2.928 N/A ARG 26.A NH1 TYR 124.A OH no hydrogen 2.873 N/A ARG 26.A NH2 PRO 118.A O no hydrogen 2.891 N/A CYS 27.A SG SER 29.A OG no hydrogen 3.338 N/A CYS 27.A SG TYR 103.A OH no hydrogen 3.919 N/A GLY 28.A N CYS 71.A O no hydrogen 2.747 N/A SER 29.A OG TYR 103.A OH no hydrogen 3.078 N/A CYS 30.A SG HIS 200.A ND1 no hydrogen 3.622 N/A TRP 31.A NE1 GLY 70.A O no hydrogen 2.973 N/A ALA 32.A N SER 29.A O no hydrogen 2.870 N/A PHE 33.A N SER 29.A O no hydrogen 3.038 N/A GLY 34.A N CYS 30.A O no hydrogen 2.932 N/A ALA 35.A N TRP 31.A O no hydrogen 3.317 N/A VAL 36.A N ALA 32.A O no hydrogen 2.915 N/A GLU 37.A N PHE 33.A O no hydrogen 2.949 N/A ALA 38.A N GLY 34.A O no hydrogen 3.160 N/A MET 39.A N ALA 35.A O no hydrogen 2.804 N/A SER 40.A N VAL 36.A O no hydrogen 2.830 N/A SER 40.A OG VAL 36.A O no hydrogen 2.696 N/A ASP 41.A N GLU 37.A O no hydrogen 3.000 N/A ARG 42.A N ALA 38.A O no hydrogen 2.864 N/A ARG 42.A NE PRO 170.A O no hydrogen 2.819 N/A ARG 42.A NH1 TYR 152.A OH no hydrogen 3.251 N/A ARG 42.A NH1 GLU 164.A OE2 no hydrogen 3.066 N/A ARG 42.A NH1 GLY 250.A O no hydrogen 2.750 N/A ARG 42.A NH2 GLU 164.A OE2 no hydrogen 2.817 N/A ARG 42.A NH2 GLY 169.A O no hydrogen 2.879 N/A SER 43.A N MET 39.A O no hydrogen 2.873 N/A SER 43.A OG MET 39.A O no hydrogen 2.737 N/A CYS 44.A N SER 40.A O no hydrogen 3.214 N/A CYS 44.A SG ASN 52.A OD1.A no hydrogen 3.792 N/A ILE 45.A N ASP 41.A O no hydrogen 2.836 N/A GLN 46.A N ARG 42.A O no hydrogen 2.830 N/A GLN 46.A NE2 TYR 168.A O no hydrogen 2.925 N/A GLN 46.A NE2 GLY 250.A O no hydrogen 3.660 N/A SER 47.A N CYS 44.A O no hydrogen 3.313 N/A SER 47.A OG SER 43.A O no hydrogen 2.651 N/A SER 47.A OG CYS 44.A O no hydrogen 3.298 N/A GLY 48.A N ILE 45.A O no hydrogen 3.245 N/A GLY 49.A N CYS 44.A O no hydrogen 2.843 N/A LYS 50.A N SER 47.A O no hydrogen 3.143 N/A GLN 51.A N SER 47.A OG no hydrogen 2.960 N/A ASN 52.A ND2.A GLY 49.A O no hydrogen 2.645 N/A ASN 52.A ND2.B ARG 14.A O no hydrogen 2.698 N/A LEU 55.A N SER 40.A OG no hydrogen 2.890 N/A SER 56.A N VAL 89.A O no hydrogen 2.777 N/A SER 56.A OG GLU 101.A O no hydrogen 2.837 N/A ASP 59.A N SER 56.A OG no hydrogen 3.045 N/A LEU 60.A N SER 56.A O no hydrogen 3.507 N/A LEU 61.A N ALA 57.A O no hydrogen 2.875 N/A SER 62.A N VAL 58.A O no hydrogen 2.824 N/A SER 62.A OG VAL 58.A O no hydrogen 2.690 N/A SER 62.A OG ARG 128.A O no hydrogen 3.404 N/A CYS 63.A N ASP 59.A O no hydrogen 2.942 N/A CYS 63.A SG ASP 59.A OD1 no hydrogen 3.411 N/A CYS 63.A SG SER 62.A OG no hydrogen 3.575 N/A CYS 63.A SG TYR 141.A OH no hydrogen 3.880 N/A CYS 64.A N LEU 60.A O no hydrogen 3.167 N/A CYS 64.A SG SER 66.A OG.B no hydrogen 3.546 N/A CYS 64.A SG PRO 78.A O no hydrogen 4.047 N/A GLU 65.A N GLU 65.A OE2.B no hydrogen 2.572 N/A LEU 69.A N GLY 73.A O no hydrogen 2.818 N/A CYS 71.A N THR 126.A OG1 no hydrogen 2.919 N/A GLU 72.A N LEU 69.A O no hydrogen 2.904 N/A GLY 73.A N GLY 70.A O no hydrogen 3.123 N/A TRP 80.A N LEU 76.A O no hydrogen 3.267 N/A TRP 80.A NE1 GLU 172.A OE1 no hydrogen 2.865 N/A ASP 81.A N GLY 77.A O no hydrogen 2.925 N/A TYR 82.A N PRO 78.A O no hydrogen 2.881 N/A TRP 83.A N ALA 79.A O no hydrogen 3.165 N/A VAL 84.A N TRP 80.A O no hydrogen 3.099 N/A LYS 85.A N ASP 81.A O no hydrogen 2.884 N/A GLU 86.A N TYR 82.A O no hydrogen 2.800 N/A GLY 87.A N TYR 82.A O no hydrogen 2.937 N/A ILE 88.A N HIS 146.A O no hydrogen 2.930 N/A VAL 89.A N ASP 59.A OD2 no hydrogen 3.024 N/A THR 90.A N ASP 144.A OD2 no hydrogen 2.899 N/A THR 90.A OG1 TYR 137.A OH no hydrogen 3.317 N/A THR 90.A OG1 ASP 144.A OD2 no hydrogen 2.666 N/A GLY 91.A N GLU 54.A O no hydrogen 2.873 N/A SER 92.A N ALA 98.A O no hydrogen 2.903 N/A SER 92.A OG SER 93.A O no hydrogen 2.959 N/A SER 92.A OG ALA 98.A O no hydrogen 3.319 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.839 N/A ASN 96.A N SER 93.A OG no hydrogen 3.046 N/A HIS 97.A N SER 93.A O no hydrogen 2.963 N/A ALA 98.A N SER 92.A OG no hydrogen 2.687 N/A CYS 100.A N THR 90.A OG1 no hydrogen 3.077 N/A GLU 101.A N THR 90.A O no hydrogen 2.829 N/A TYR 103.A N SER 92.A O no hydrogen 2.808 N/A TYR 103.A OH GLN 24.A O no hydrogen 2.698 N/A TYR 103.A OH SER 29.A OG no hydrogen 3.078 N/A LYS 107.A N GLU 95.A OE2 no hydrogen 2.919 N/A LYS 107.A NZ TYR 116.A OH no hydrogen 2.979 N/A LYS 107.A NZ GLU 224.A OE1 no hydrogen 2.819 N/A CYS 108.A N ASP 23.A OD2 no hydrogen 2.974 N/A CYS 108.A SG HIS 110.A NE2 no hydrogen 3.948 N/A GLU 109.A N PRO 117.A O no hydrogen 2.800 N/A HIS 110.A NE2 ASP 23.A OD1 no hydrogen 2.650 N/A LYS 115.A NZ GLU 224.A OE2 no hydrogen 2.937 N/A LYS 115.A NZ ASP 225.A OD2 no hydrogen 3.262 N/A TYR 116.A N GLU 109.A OE2 no hydrogen 3.030 N/A TYR 116.A OH GLU 224.A OE2 no hydrogen 2.590 N/A CYS 119.A N GLU 109.A O no hydrogen 2.847 N/A TYR 124.A N ARG 26.A O no hydrogen 2.778 N/A THR 132.A N GLU 101.A OE2 no hydrogen 3.130 N/A THR 132.A OG1 LYS 130.A O no hydrogen 2.811 N/A CYS 133.A SG THR 139.A O no hydrogen 3.128 N/A GLN 134.A N CYS 100.A O no hydrogen 2.833 N/A GLN 134.A NE2 HIS 97.A O no hydrogen 2.962 N/A GLN 134.A NE2 GLY 99.A O no hydrogen 2.821 N/A LYS 136.A NZ HIS 97.A ND1 no hydrogen 3.487 N/A LYS 136.A NZ HIS 97.A O no hydrogen 3.266 N/A TYR 137.A N GLN 134.A O no hydrogen 2.886 N/A TYR 137.A OH ASP 144.A OD1 no hydrogen 2.660 N/A LYS 138.A NZ.A LYS 135.A O no hydrogen 2.769 N/A TYR 141.A OH ASP 59.A OD1 no hydrogen 2.565 N/A THR 142.A OG1 GLN 143.A OE1 no hydrogen 2.962 N/A GLN 143.A N PRO 140.A O no hydrogen 2.855 N/A ASP 144.A N TYR 141.A O no hydrogen 3.044 N/A LYS 145.A NZ.A ASP 59.A OD2 no hydrogen 2.719 N/A LYS 145.A NZ.A TYR 82.A OH no hydrogen 3.111 N/A LYS 145.A NZ.A GLY 87.A O no hydrogen 2.792 N/A LYS 145.A NZ.A TYR 141.A OH no hydrogen 3.034 N/A LYS 145.A NZ.B TYR 141.A OH no hydrogen 3.443 N/A HIS 146.A N ILE 88.A O no hydrogen 2.879 N/A HIS 146.A ND1 GLN 51.A OE1 no hydrogen 2.860 N/A ARG 147.A NE LYS 85.A O no hydrogen 3.277 N/A GLY 148.A N TRP 83.A O no hydrogen 3.046 N/A LYS 149.A N ARG 251.A O no hydrogen 2.761 N/A SER 150.A N ARG 251.A O no hydrogen 3.053 N/A SER 151.A OG ASP 81.A OD1 no hydrogen 3.187 N/A TYR 152.A N ALA 249.A O no hydrogen 2.929 N/A TYR 152.A OH GLU 164.A OE2 no hydrogen 2.607 N/A VAL 154.A N VAL 247.A O no hydrogen 2.865 N/A ASP 157.A N LYS 155.A O no hydrogen 2.853 N/A ALA 160.A N ASP 157.A OD2 no hydrogen 3.030 N/A ILE 161.A N ASP 157.A O no hydrogen 2.979 N/A GLN 162.A N GLU 158.A O no hydrogen 2.954 N/A LYS 163.A N LYS 159.A O no hydrogen 2.834 N/A GLU 164.A N ALA 160.A O no hydrogen 2.946 N/A ILE 165.A N ILE 161.A O no hydrogen 3.002 N/A MET 166.A N GLN 162.A O no hydrogen 2.995 N/A LYS 167.A N LYS 163.A O no hydrogen 2.970 N/A LYS 167.A NZ TYR 168.A OH no hydrogen 3.499 N/A TYR 168.A N GLU 164.A O no hydrogen 2.874 N/A GLY 169.A N ILE 165.A O no hydrogen 2.847 N/A VAL 171.A N ILE 204.A O no hydrogen 3.192 N/A GLU 172.A N THR 248.A O no hydrogen 3.059 N/A ALA 173.A N ILE 202.A O no hydrogen 2.962 N/A GLY 174.A N GLU 246.A O no hydrogen 2.985 N/A PHE 175.A N HIS 200.A O no hydrogen 2.907 N/A THR 176.A N CYS 241.A O no hydrogen 2.827 N/A VAL 177.A N GLY 198.A O no hydrogen 2.947 N/A GLU 179.A N GLU 195.A O no hydrogen 2.928 N/A PHE 181.A N TYR 178.A O no hydrogen 2.934 N/A LEU 182.A N.A GLU 179.A O no hydrogen 3.109 N/A LEU 182.A N.B GLU 179.A O no hydrogen 3.085 N/A ASN 183.A N ASP 180.A O no hydrogen 3.035 N/A TYR 184.A N PHE 181.A O no hydrogen 3.048 N/A TYR 184.A OH GLY 187.A O no hydrogen 2.677 N/A LYS 185.A NZ THR 112.A OG1 no hydrogen 3.226 N/A GLY 187.A N GLU 228.A OE2 no hydrogen 2.818 N/A TYR 189.A N ARG 233.A O no hydrogen 2.806 N/A TYR 189.A OH ASP 180.A OD1 no hydrogen 2.620 N/A HIS 191.A N GLU 240.A OE2 no hydrogen 2.846 N/A HIS 191.A NE2 GLY 194.A O no hydrogen 2.930 N/A ILE 192.A N ASP 180.A OD2 no hydrogen 2.822 N/A THR 193.A N ASP 180.A OD2 no hydrogen 3.053 N/A GLU 195.A N GLU 179.A OE1 no hydrogen 2.884 N/A LEU 197.A N VAL 177.A O no hydrogen 2.710 N/A GLY 198.A N THR 196.A OG1 no hydrogen 2.988 N/A HIS 200.A N PHE 175.A O no hydrogen 2.801 N/A HIS 200.A NE2 ASN 220.A OD1 no hydrogen 2.960 N/A ILE 202.A N ALA 173.A O no hydrogen 2.915 N/A ARG 203.A N ALA 219.A O no hydrogen 3.226 N/A ARG 203.A NE GLU 37.A OE1 no hydrogen 3.545 N/A ARG 203.A NH1 ILE 18.A O no hydrogen 2.918 N/A ARG 203.A NH1 ASP 41.A OD2 no hydrogen 2.624 N/A ARG 203.A NH2 ILE 18.A O no hydrogen 2.942 N/A ILE 204.A N VAL 171.A O no hydrogen 2.867 N/A ILE 205.A N LEU 217.A O no hydrogen 2.908 N/A GLY 206.A N LEU 217.A O no hydrogen 3.352 N/A TRP 207.A N PHE 6.A O no hydrogen 2.917 N/A TRP 207.A NE1 PRO 3.A O no hydrogen 2.865 N/A GLY 208.A N TYR 215.A O no hydrogen 3.049 N/A GLU 210.A N ALA 213.A O no hydrogen 3.037 N/A ALA 213.A N GLU 210.A O no hydrogen 2.868 N/A TYR 215.A N GLY 208.A O no hydrogen 2.883 N/A TRP 216.A N ILE 234.A O no hydrogen 2.876 N/A TRP 216.A NE1 GLU 244.A OE2 no hydrogen 2.760 N/A LEU 217.A N GLY 206.A O no hydrogen 2.861 N/A ILE 218.A N PHE 232.A O no hydrogen 2.902 N/A ALA 219.A N ARG 203.A O no hydrogen 2.829 N/A ASN 220.A N GLY 230.A O no hydrogen 3.047 N/A SER 221.A N ASN 220.A OD1 no hydrogen 2.849 N/A SER 221.A OG GLN 24.A OE1 no hydrogen 2.697 N/A ASN 223.A N ARG 22.A O no hydrogen 3.030 N/A ASN 223.A ND2 ASP 23.A OD2 no hydrogen 2.940 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.775 N/A ASP 225.A N ASN 223.A OD1 no hydrogen 2.769 N/A TRP 226.A N ASN 223.A O no hydrogen 3.450 N/A GLU 228.A N TYR 231.A O no hydrogen 2.793 N/A GLY 230.A N TRP 226.A O no hydrogen 2.796 N/A TYR 231.A N GLU 228.A O no hydrogen 3.065 N/A PHE 232.A N ILE 218.A O no hydrogen 2.814 N/A ARG 233.A N TYR 184.A OH no hydrogen 3.317 N/A ARG 233.A NE GLU 228.A OE1 no hydrogen 2.858 N/A ARG 233.A NH1 GLU 210.A OE2.A no hydrogen 2.876 N/A ARG 233.A NH1 GLU 210.A OE2.B no hydrogen 3.133 N/A ARG 233.A NH2 GLU 228.A OE2 no hydrogen 2.856 N/A ILE 234.A N TRP 216.A O no hydrogen 3.191 N/A VAL 235.A N TYR 189.A O no hydrogen 3.088 N/A ARG 236.A N PRO 214.A O no hydrogen 3.084 N/A ARG 236.A NE TYR 215.A O no hydrogen 2.972 N/A ARG 236.A NH1 GLU 158.A OE2 no hydrogen 2.793 N/A ARG 236.A NH2 GLY 208.A O no hydrogen 2.880 N/A GLY 237.A N GLU 244.A OE2 no hydrogen 2.816 N/A ASP 239.A N GLU 244.A OE1 no hydrogen 2.806 N/A CYS 241.A SG GLU 240.A OE2 no hydrogen 3.624 N/A SER 242.A N ASP 239.A O no hydrogen 2.929 N/A ILE 243.A N GLU 240.A O no hydrogen 2.962 N/A GLU 244.A N ASP 239.A OD1 no hydrogen 2.976 N/A SER 245.A N SER 242.A O no hydrogen 2.966 N/A SER 245.A OG ASP 239.A OD1 no hydrogen 2.853 N/A SER 245.A OG ASP 239.A OD2 no hydrogen 2.980 N/A THR 248.A N GLU 172.A O no hydrogen 2.886 N/A THR 248.A OG1 ASN 153.A OD1 no hydrogen 2.854 N/A ALA 249.A N TYR 152.A O no hydrogen 2.968 N/A ARG 251.A N SER 150.A O no hydrogen 2.878 N/A ILE 252.A N GLN 46.A OE1 no hydrogen 2.844 N/A ASN 253.A ND2 GLN 46.A O no hydrogen 3.116 N/A