Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ws6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.677 N/A SER 3.A N ASP 28.A OD1 no hydrogen 2.734 N/A MET 4.A N CYS 100.A O no hydrogen 2.976 N/A ARG 5.A N TYR 26.A O no hydrogen 2.916 N/A ARG 5.A NH1 MET 4.A O no hydrogen 3.181 N/A ARG 5.A NH1 ASP 101.A OD1 no hydrogen 2.856 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 2.912 N/A TYR 6.A N SER 98.A O no hydrogen 2.833 N/A PHE 7.A N VAL 24.A O no hydrogen 2.878 N/A GLU 8.A N GLN 96.A O no hydrogen 2.887 N/A THR 9.A N ILE 22.A O no hydrogen 2.771 N/A ALA 10.A N LEU 94.A O no hydrogen 2.913 N/A VAL 11.A N ARG 20.A O no hydrogen 2.887 N/A SER 12.A N HIS 92.A O no hydrogen 2.950 N/A SER 12.A OG HIS 92.A O no hydrogen 3.471 N/A ARG 13.A NE GLU 18.A O no hydrogen 3.071 N/A ARG 13.A NH1 GLU 18.A O no hydrogen 2.932 N/A LEU 16.A N ARG 13.A O no hydrogen 2.924 N/A ARG 20.A N VAL 11.A O no hydrogen 2.925 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 3.109 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.768 N/A TYR 21.A N SER 37.A OG no hydrogen 2.763 N/A TYR 21.A OH GLU 8.A OE1 no hydrogen 2.570 N/A ILE 22.A N THR 9.A O no hydrogen 2.774 N/A SER 23.A N PHE 35.A O no hydrogen 2.847 N/A SER 23.A OG TYR 44.A OH no hydrogen 2.637 N/A VAL 24.A N PHE 7.A O no hydrogen 2.911 N/A GLY 25.A N VAL 33.A O no hydrogen 2.956 N/A TYR 26.A N ARG 5.A O no hydrogen 2.696 N/A VAL 27.A N LYS 30.A O no hydrogen 3.013 N/A ASP 28.A N SER 3.A O no hydrogen 2.893 N/A LYS 30.A N VAL 27.A O no hydrogen 2.995 N/A PHE 32.A N GLY 25.A O no hydrogen 2.975 N/A ARG 34.A N GLU 45.A O no hydrogen 3.116 N/A ARG 34.A NE GLU 31.A OE2 no hydrogen 2.930 N/A ARG 34.A NH2 GLU 31.A OE1 no hydrogen 3.077 N/A PHE 35.A N SER 23.A O no hydrogen 2.709 N/A SER 37.A N TYR 21.A O no hydrogen 2.867 N/A SER 37.A OG TYR 21.A O no hydrogen 3.236 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.948 N/A ALA 39.A N ASP 36.A O no hydrogen 3.242 N/A ARG 43.A NH2 GLU 60.A OE1 no hydrogen 2.710 N/A TYR 44.A N THR 63.A OG1 no hydrogen 3.011 N/A TYR 44.A OH SER 23.A OG no hydrogen 2.637 N/A GLU 45.A N ARG 34.A O no hydrogen 3.032 N/A ARG 47.A N PHE 32.A O no hydrogen 2.696 N/A MET 51.A N ALA 48.A O no hydrogen 2.939 N/A GLU 52.A N PRO 49.A O no hydrogen 3.153 N/A GLN 53.A N TRP 50.A O no hydrogen 3.490 N/A GLN 53.A NE2 TRP 50.A O no hydrogen 2.830 N/A GLN 53.A NE2 ASN 173.A O no hydrogen 2.756 N/A GLU 54.A N MET 51.A O no hydrogen 3.034 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.571 N/A TRP 59.A N GLY 55.A O no hydrogen 3.357 N/A TRP 59.A NE1 GLU 54.A O no hydrogen 3.043 N/A GLU 60.A N PRO 56.A O no hydrogen 2.881 N/A ARG 61.A N GLU 57.A O no hydrogen 2.875 N/A GLU 62.A N TYR 58.A O no hydrogen 2.909 N/A THR 63.A N TRP 59.A O no hydrogen 2.913 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.808 N/A GLN 64.A N GLU 60.A O no hydrogen 3.069 N/A LYS 65.A N ARG 61.A O no hydrogen 3.255 N/A LYS 65.A NZ GLU 62.A OE2 no hydrogen 2.949 N/A ALA 66.A N GLU 62.A O no hydrogen 3.116 N/A LYS 67.A N THR 63.A O no hydrogen 3.041 N/A GLY 68.A N GLN 64.A O no hydrogen 3.031 N/A GLN 69.A N LYS 65.A O no hydrogen 2.834 N/A GLN 69.A NE2 GLU 8.A OE1 no hydrogen 2.873 N/A GLN 69.A NE2 GLU 8.A OE2 no hydrogen 3.362 N/A GLU 70.A N ALA 66.A O no hydrogen 2.759 N/A GLN 71.A N LYS 67.A O no hydrogen 3.376 N/A TRP 72.A N GLY 68.A O no hydrogen 2.950 N/A PHE 73.A N GLN 69.A O no hydrogen 2.849 N/A ARG 74.A N GLU 70.A O no hydrogen 3.172 N/A VAL 75.A N GLN 71.A O no hydrogen 3.008 N/A SER 76.A N TRP 72.A O no hydrogen 3.030 N/A SER 76.A OG TRP 72.A O no hydrogen 2.927 N/A LEU 77.A N PHE 73.A O no hydrogen 2.866 N/A ARG 78.A N ARG 74.A O no hydrogen 3.189 N/A ASN 79.A N VAL 75.A O no hydrogen 2.868 N/A LEU 80.A N SER 76.A O no hydrogen 2.900 N/A LEU 81.A N LEU 77.A O no hydrogen 3.083 N/A GLY 82.A N ARG 78.A O no hydrogen 3.278 N/A TYR 83.A N ASN 79.A O no hydrogen 3.016 N/A TYR 84.A N LEU 80.A O no hydrogen 3.013 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.482 N/A ASN 85.A N GLY 82.A O no hydrogen 2.947 N/A GLN 86.A N LEU 81.A O no hydrogen 2.984 N/A GLN 86.A NE2 GLU 118.A OE2 no hydrogen 2.924 N/A SER 91.A OG SER 12.A O no hydrogen 2.759 N/A HIS 92.A N SER 12.A OG no hydrogen 2.965 N/A HIS 92.A ND1 GLU 118.A OE2 no hydrogen 2.915 N/A THR 93.A N GLU 118.A OE1 no hydrogen 3.401 N/A LEU 94.A N ALA 10.A O no hydrogen 2.987 N/A GLN 95.A N ALA 116.A O no hydrogen 2.962 N/A GLN 96.A N GLU 8.A O no hydrogen 2.981 N/A MET 97.A N GLN 114.A O no hydrogen 2.815 N/A SER 98.A N TYR 6.A O no hydrogen 3.035 N/A GLY 99.A N TYR 112.A O no hydrogen 3.133 N/A CYS 100.A N MET 4.A O no hydrogen 2.943 N/A ASP 101.A N ARG 110.A O no hydrogen 2.946 N/A LEU 102.A N HIS 2.A O no hydrogen 2.842 N/A GLY 103.A N ARG 107.A O no hydrogen 2.951 N/A TRP 106.A N GLY 103.A O no hydrogen 2.983 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.056 N/A LEU 109.A N ASP 101.A O no hydrogen 2.782 N/A TYR 112.A N GLY 99.A O no hydrogen 2.831 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 2.789 N/A GLN 114.A N MET 97.A O no hydrogen 2.881 N/A PHE 115.A N ILE 123.A O no hydrogen 2.900 N/A ALA 116.A N GLN 95.A O no hydrogen 2.899 N/A TYR 117.A N ARG 120.A O no hydrogen 2.906 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.533 N/A GLU 118.A N THR 93.A O no hydrogen 2.907 N/A ARG 120.A N TYR 117.A O no hydrogen 2.997 N/A TYR 122.A N PHE 115.A O no hydrogen 2.848 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.813 N/A ALA 124.A N THR 133.A O no hydrogen 2.940 N/A LEU 125.A N LEU 113.A O no hydrogen 2.810 N/A ASN 126.A N THR 131.A O no hydrogen 2.786 N/A ASN 126.A ND2 THR 131.A OG1 no hydrogen 2.839 N/A LEU 129.A N ASN 126.A O no hydrogen 2.913 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.714 N/A THR 131.A N ASP 128.A OD1 no hydrogen 3.032 N/A THR 131.A OG1 ASP 128.A OD1 no hydrogen 3.378 N/A THR 131.A OG1 ASP 128.A OD2 no hydrogen 2.769 N/A THR 133.A N ALA 124.A O no hydrogen 2.814 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.649 N/A ALA 135.A N TYR 122.A O no hydrogen 2.969 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.796 N/A GLN 140.A N ASP 136.A O no hydrogen 3.186 N/A GLN 140.A N MET 137.A O no hydrogen 3.188 N/A GLN 140.A NE2 ALA 134.A O no hydrogen 3.410 N/A GLN 140.A NE2 ASP 136.A O no hydrogen 3.562 N/A ILE 141.A N ALA 138.A O no hydrogen 2.955 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.813 N/A ARG 143.A N ALA 139.A O no hydrogen 2.867 N/A ARG 143.A NE GLN 140.A OE1 no hydrogen 2.894 N/A ARG 143.A NH1 GLU 147.A OE2 no hydrogen 2.772 N/A ARG 143.A NH2 GLN 140.A OE1 no hydrogen 3.155 N/A ARG 144.A N GLN 140.A O no hydrogen 2.961 N/A LYS 145.A N ILE 141.A O no hydrogen 2.949 N/A LYS 145.A NZ TYR 83.A OH no hydrogen 3.403 N/A TRP 146.A N THR 142.A O no hydrogen 2.743 N/A GLU 147.A N ARG 143.A O no hydrogen 2.765 N/A GLN 148.A N ARG 144.A O no hydrogen 2.916 N/A SER 149.A N LYS 145.A O no hydrogen 3.262 N/A SER 149.A OG LYS 145.A O no hydrogen 3.280 N/A SER 149.A OG TRP 146.A O no hydrogen 3.330 N/A GLY 150.A N GLU 147.A O no hydrogen 3.434 N/A ALA 151.A N TRP 146.A O no hydrogen 3.062 N/A GLU 153.A N GLY 150.A O no hydrogen 3.239 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.795 N/A HIS 154.A N ALA 151.A O no hydrogen 2.989 N/A TYR 155.A N ALA 151.A O no hydrogen 3.360 N/A LYS 156.A N ALA 152.A O no hydrogen 2.821 N/A LYS 156.A NZ GLU 160.A OE1 no hydrogen 2.863 N/A LYS 156.A NZ GLU 160.A OE2 no hydrogen 2.949 N/A ALA 157.A N GLU 153.A O no hydrogen 3.036 N/A TYR 158.A N HIS 154.A O no hydrogen 3.263 N/A LEU 159.A N TYR 155.A O no hydrogen 2.847 N/A GLU 160.A N LYS 156.A O no hydrogen 2.913 N/A GLY 161.A N TYR 158.A O no hydrogen 3.313 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.580 N/A CYS 163.A N TYR 158.A O no hydrogen 2.880 N/A GLU 165.A N GLY 161.A O no hydrogen 3.109 N/A TRP 166.A N GLU 162.A O no hydrogen 2.837 N/A LEU 167.A N CYS 163.A O no hydrogen 3.135 N/A HIS 168.A N VAL 164.A O no hydrogen 3.105 N/A ARG 169.A N GLU 165.A O no hydrogen 2.977 N/A TYR 170.A N TRP 166.A O no hydrogen 2.851 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.571 N/A LEU 171.A N LEU 167.A O no hydrogen 2.844 N/A LYS 172.A N HIS 168.A O no hydrogen 2.873 N/A ASN 173.A N ARG 169.A O no hydrogen 2.790 N/A GLY 174.A N TYR 170.A O no hydrogen 2.723 N/A ALA 176.A N ASN 175.A OD1 no hydrogen 2.372 N/A THR 177.A N GLY 174.A O no hydrogen 2.901 N/A LEU 178.A N GLY 174.A O no hydrogen 2.801 N/A LEU 179.A N ASN 175.A O no hydrogen 2.818 N/A ARG 180.A N THR 177.A O no hydrogen 3.192 N/A ARG 180.A NH1 THR 177.A OG1 no hydrogen 3.388 N/A ASP 182.A N TYR 208.A O no hydrogen 2.881 N/A LYS 185.A N LEU 205.A O no hydrogen 2.771 N/A LYS 185.A NZ SER 183.A O no hydrogen 2.642 N/A HIS 187.A N TRP 203.A O no hydrogen 3.236 N/A THR 189.A N ARG 201.A O no hydrogen 2.956 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 2.700 N/A HIS 190.A NE2 GLU 251.A OE2 no hydrogen 2.921 N/A HIS 191.A N THR 199.A O no hydrogen 2.828 N/A HIS 191.A NE2 THR 189.A OG1 no hydrogen 2.700 N/A ARG 193.A N GLU 197.A O no hydrogen 3.224 N/A SER 194.A N GLU 197.A O no hydrogen 3.119 N/A GLU 197.A N SER 194.A O no hydrogen 3.092 N/A VAL 198.A N VAL 246.A O no hydrogen 2.907 N/A THR 199.A N HIS 191.A O no hydrogen 2.629 N/A LEU 200.A N VAL 244.A O no hydrogen 2.925 N/A ARG 201.A N THR 189.A O no hydrogen 2.960 N/A ARG 201.A NH2 SER 243.A OG no hydrogen 3.403 N/A CYS 202.A N ALA 242.A O no hydrogen 2.642 N/A TRP 203.A N HIS 187.A O no hydrogen 2.911 N/A TRP 203.A NE1 THR 189.A OG1 no hydrogen 2.994 N/A ALA 204.A N LYS 240.A O no hydrogen 2.846 N/A LEU 205.A N LYS 185.A O no hydrogen 2.914 N/A PHE 207.A N PHE 238.A O no hydrogen 3.263 N/A TYR 208.A N ASP 182.A O no hydrogen 2.980 N/A THR 213.A N TYR 259.A O no hydrogen 2.986 N/A THR 215.A N ARG 257.A O no hydrogen 2.962 N/A TRP 216.A NE1 ALA 242.A O no hydrogen 2.908 N/A GLN 217.A N THR 255.A O no hydrogen 2.756 N/A LEU 218.A N GLU 221.A O no hydrogen 2.901 N/A ASN 219.A N ASN 253.A O no hydrogen 3.224 N/A GLY 220.A N ASN 219.A OD1 no hydrogen 2.041 N/A GLU 221.A N LEU 218.A O no hydrogen 3.022 N/A LEU 223.A N TRP 216.A O no hydrogen 3.110 N/A THR 224.A OG1 LEU 223.A O no hydrogen 2.859 N/A GLU 226.A N SER 243.A O no hydrogen 2.901 N/A VAL 228.A N TRP 241.A O no hydrogen 3.337 N/A ARG 231.A N GLN 239.A O no hydrogen 2.968 N/A ARG 231.A NE GLN 239.A OE1 no hydrogen 3.028 N/A ARG 231.A NH2 GLN 239.A OE1 no hydrogen 3.345 N/A ALA 233.A N THR 237.A O no hydrogen 2.883 N/A THR 237.A N ASP 235.A OD1 no hydrogen 2.872 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.566 N/A PHE 238.A N PHE 207.A O no hydrogen 2.904 N/A GLN 239.A N ARG 231.A O no hydrogen 2.793 N/A LYS 240.A N ALA 204.A O no hydrogen 3.009 N/A LYS 240.A NZ VAL 228.A O no hydrogen 2.728 N/A LYS 240.A NZ THR 230.A OG1 no hydrogen 3.020 N/A ALA 242.A N CYS 202.A O no hydrogen 2.846 N/A SER 243.A N GLU 226.A O no hydrogen 2.779 N/A VAL 244.A N LEU 200.A O no hydrogen 2.882 N/A VAL 246.A N VAL 198.A O no hydrogen 2.819 N/A LEU 248.A N GLY 196.A O no hydrogen 2.767 N/A LYS 250.A N PRO 247.A O no hydrogen 3.155 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.749 N/A GLN 252.A NE2 TRP 271.A O no hydrogen 3.036 N/A ASN 253.A N LYS 250.A O no hydrogen 2.911 N/A TYR 254.A N GLU 251.A O no hydrogen 3.235 N/A THR 255.A N GLN 217.A O no hydrogen 2.920 N/A CYS 256.A N LEU 269.A O no hydrogen 2.825 N/A CYS 256.A SG THR 215.A O no hydrogen 3.655 N/A ARG 257.A N THR 215.A O no hydrogen 2.824 N/A VAL 258.A N LEU 267.A O no hydrogen 3.029 N/A TYR 259.A N THR 213.A O no hydrogen 2.871 N/A HIS 260.A NE2 PRO 209.A O no hydrogen 2.882 N/A GLY 262.A N HIS 260.A ND1 no hydrogen 2.817 N/A LEU 263.A N HIS 260.A O no hydrogen 3.128 N/A LEU 267.A N VAL 258.A O no hydrogen 3.012 N/A LEU 269.A N CYS 256.A O no hydrogen 2.795 N/A