Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ws7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 12.A N PRO 9.A O no hydrogen 3.191 N/A SER 12.A OG PRO 9.A O no hydrogen 2.780 N/A HIS 13.A N ARG 10.A O no hydrogen 3.024 N/A MET 14.A N SER 12.A OG no hydrogen 2.958 N/A ARG 15.A N ASP 71.A OD2 no hydrogen 2.953 N/A ARG 15.A NE ASP 71.A OD2 no hydrogen 2.903 N/A ARG 15.A NH2 ASP 71.A OD1 no hydrogen 2.932 N/A VAL 16.A N PHE 37.A O no hydrogen 2.891 N/A GLY 17.A N VAL 72.A O no hydrogen 2.837 N/A PHE 18.A N ALA 40.A O no hydrogen 2.926 N/A ILE 19.A N ILE 74.A O no hydrogen 2.801 N/A GLY 20.A N TYR 42.A O no hydrogen 3.094 N/A LEU 21.A N ASN 43.A OD1 no hydrogen 2.903 N/A GLY 26.A N GLY 22.A O no hydrogen 2.933 N/A MET 28.A N MET 24.A O no hydrogen 3.031 N/A ALA 29.A N GLY 25.A O no hydrogen 2.846 N/A THR 30.A N GLY 26.A O no hydrogen 2.942 N/A THR 30.A OG1 GLY 26.A O no hydrogen 2.850 N/A HIS 31.A N PRO 27.A O no hydrogen 2.978 N/A HIS 31.A ND1 PRO 27.A O no hydrogen 3.106 N/A LEU 32.A N MET 28.A O no hydrogen 3.061 N/A LEU 33.A N ALA 29.A O no hydrogen 2.882 N/A LYS 34.A N THR 30.A O no hydrogen 2.914 N/A ALA 35.A N HIS 31.A O no hydrogen 3.055 N/A GLY 36.A N LEU 33.A O no hydrogen 3.013 N/A PHE 37.A N LEU 32.A O no hydrogen 2.929 N/A ALA 39.A N VAL 16.A O no hydrogen 2.840 N/A ALA 40.A N VAL 16.A O no hydrogen 3.326 N/A VAL 41.A N TYR 58.A O no hydrogen 2.901 N/A TYR 42.A N PHE 18.A O no hydrogen 2.919 N/A ASN 43.A ND2 THR 45.A O no hydrogen 2.854 N/A GLU 47.A N GLU 47.A OE2 no hydrogen 2.926 N/A LYS 48.A N THR 45.A O no hydrogen 3.417 N/A THR 49.A N ARG 46.A O no hydrogen 2.852 N/A THR 49.A OG1 ARG 46.A O no hydrogen 2.674 N/A LYS 50.A N GLU 47.A O no hydrogen 3.067 N/A LYS 50.A NZ GLU 54.A OE2 no hydrogen 2.517 N/A ALA 53.A N THR 49.A O no hydrogen 2.937 N/A GLU 54.A N LYS 50.A O no hydrogen 2.932 N/A ALA 55.A N PHE 52.A O no hydrogen 2.930 N/A GLY 56.A N ALA 53.A O no hydrogen 2.938 N/A VAL 57.A N PHE 52.A O no hydrogen 3.015 N/A TYR 58.A N ALA 39.A O no hydrogen 3.133 N/A TYR 58.A OH ASP 65.A OD2 no hydrogen 2.646 N/A ALA 60.A N VAL 41.A O no hydrogen 2.907 N/A GLU 61.A N ASP 65.A OD2 no hydrogen 2.943 N/A ALA 64.A N SER 91.A O no hydrogen 2.899 N/A ASP 65.A N SER 62.A OG no hydrogen 3.000 N/A LEU 66.A N SER 62.A O no hydrogen 3.066 N/A ALA 67.A N PRO 63.A O no hydrogen 2.862 N/A LYS 68.A N ALA 64.A O no hydrogen 3.174 N/A LYS 68.A NZ ASP 65.A OD1 no hydrogen 3.243 N/A ARG 69.A N LEU 66.A O no hydrogen 3.052 N/A ARG 69.A NE ASP 65.A O no hydrogen 3.148 N/A ARG 69.A NE ASP 65.A OD1 no hydrogen 3.128 N/A ARG 69.A NH2 ASP 65.A OD1 no hydrogen 2.961 N/A VAL 70.A N ALA 67.A O no hydrogen 3.484 N/A ASP 71.A N ARG 15.A O no hydrogen 2.848 N/A VAL 72.A N ARG 15.A O no hydrogen 2.996 N/A VAL 73.A N ILE 102.A O no hydrogen 2.820 N/A ILE 74.A N GLY 17.A O no hydrogen 2.879 N/A VAL 75.A N VAL 104.A O no hydrogen 2.930 N/A MET 76.A N ILE 19.A O no hydrogen 2.847 N/A ASP 79.A N ASP 82.A OD2 no hydrogen 2.900 N/A ALA 80.A N ASP 79.A OD1 no hydrogen 2.736 N/A VAL 83.A N ASP 79.A O no hydrogen 3.055 N/A GLU 84.A N ALA 80.A O no hydrogen 2.856 N/A GLN 85.A N PRO 81.A O no hydrogen 2.945 N/A VAL 86.A N ASP 82.A O no hydrogen 3.055 N/A LEU 87.A N VAL 83.A O no hydrogen 2.866 N/A PHE 88.A N GLU 84.A O no hydrogen 2.792 N/A GLY 89.A N GLN 85.A O no hydrogen 2.929 N/A GLY 92.A N GLY 89.A O no hydrogen 2.872 N/A VAL 93.A N VAL 86.A O no hydrogen 2.863 N/A VAL 94.A N LEU 87.A O no hydrogen 3.030 N/A GLU 95.A N GLY 92.A O no hydrogen 2.891 N/A GLY 96.A N VAL 93.A O no hydrogen 3.002 N/A ALA 97.A N VAL 93.A O no hydrogen 2.889 N/A ARG 98.A NH1 LYS 68.A O no hydrogen 2.807 N/A ARG 98.A NH2 LYS 68.A O no hydrogen 3.455 N/A GLY 100.A N GLY 125.A O no hydrogen 2.876 N/A LEU 101.A N ARG 98.A O no hydrogen 3.123 N/A ILE 102.A N ASP 71.A O no hydrogen 3.032 N/A VAL 103.A N GLU 127.A O no hydrogen 2.863 N/A VAL 104.A N VAL 73.A O no hydrogen 2.781 N/A ASP 105.A N LEU 129.A O no hydrogen 2.907 N/A MET 106.A N VAL 75.A O no hydrogen 2.902 N/A SER 107.A N ASP 105.A OD1 no hydrogen 3.022 N/A SER 107.A OG ASP 105.A OD1 no hydrogen 2.654 N/A ASN 109.A N GLN 180.A OE1 no hydrogen 2.865 N/A ASN 109.A ND2 ASP 105.A OD2 no hydrogen 2.858 N/A SER 110.A N ASN 109.A OD1 no hydrogen 2.839 N/A TRP 113.A N SER 110.A OG no hydrogen 3.010 N/A ALA 114.A N SER 110.A O no hydrogen 2.947 N/A ARG 115.A N PRO 111.A O no hydrogen 3.008 N/A ARG 115.A NH2 ASP 112.A OD1 no hydrogen 2.442 N/A LYS 116.A N ASP 112.A O no hydrogen 3.011 N/A PHE 117.A N TRP 113.A O no hydrogen 2.844 N/A ALA 118.A N ALA 114.A O no hydrogen 2.948 N/A GLU 119.A N ARG 115.A O no hydrogen 2.921 N/A ARG 120.A N LYS 116.A O no hydrogen 2.988 N/A ARG 120.A NH1 GLU 84.A OE2 no hydrogen 3.415 N/A LEU 121.A N PHE 117.A O no hydrogen 2.870 N/A ALA 122.A N ALA 118.A O no hydrogen 2.889 N/A GLN 123.A N ARG 120.A O no hydrogen 3.313 N/A TYR 124.A N LEU 121.A O no hydrogen 2.931 N/A GLY 125.A N ALA 122.A O no hydrogen 2.953 N/A ILE 126.A N LEU 121.A O no hydrogen 3.151 N/A GLU 127.A N LEU 101.A O no hydrogen 2.946 N/A LEU 129.A N VAL 103.A O no hydrogen 2.919 N/A ASP 130.A N GLY 150.A O no hydrogen 3.064 N/A ALA 131.A N ASP 105.A O no hydrogen 2.795 N/A THR 134.A N THR 146.A O no hydrogen 2.814 N/A THR 134.A OG1 ASN 186.A OD1 no hydrogen 3.349 N/A LYS 138.A NZ GLU 142.A OE1 no hydrogen 3.368 N/A LYS 138.A NZ GLU 142.A OE2 no hydrogen 3.472 N/A GLY 139.A N GLY 135.A O no hydrogen 2.974 N/A ALA 140.A N GLY 136.A O no hydrogen 3.010 N/A ILE 141.A N GLN 137.A O no hydrogen 2.951 N/A GLU 142.A N LYS 138.A O no hydrogen 2.871 N/A GLY 143.A N ALA 140.A O no hydrogen 3.335 N/A THR 144.A N GLY 139.A O no hydrogen 2.981 N/A THR 146.A N THR 134.A O no hydrogen 2.924 N/A ILE 147.A N ASP 169.A O no hydrogen 2.985 N/A MET 148.A N PRO 132.A O no hydrogen 2.986 N/A VAL 149.A N VAL 171.A O no hydrogen 2.875 N/A GLY 150.A N ASP 130.A O no hydrogen 2.782 N/A GLY 151.A N GLY 174.A O no hydrogen 2.868 N/A LYS 152.A NZ GLU 127.A OE1 no hydrogen 3.524 N/A LYS 152.A NZ GLU 127.A OE2 no hydrogen 3.135 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.899 N/A PHE 156.A N LYS 152.A O no hydrogen 3.065 N/A HIS 157.A N GLU 153.A O no hydrogen 3.010 N/A ARG 158.A N GLU 154.A O no hydrogen 2.896 N/A LEU 159.A N LEU 155.A O no hydrogen 2.905 N/A LEU 160.A N HIS 157.A O no hydrogen 3.203 N/A PHE 163.A N LEU 159.A O no hydrogen 3.003 N/A LYS 164.A N LEU 160.A O no hydrogen 2.842 N/A ALA 165.A N PRO 161.A O no hydrogen 3.215 N/A ALA 165.A N ILE 162.A O no hydrogen 3.117 N/A MET 166.A N PHE 163.A O no hydrogen 3.057 N/A GLY 167.A N PHE 163.A O no hydrogen 2.848 N/A ARG 168.A N LEU 145.A O no hydrogen 2.838 N/A VAL 171.A N ILE 147.A O no hydrogen 2.808 N/A TYR 172.A OH GLY 151.A O no hydrogen 2.677 N/A MET 173.A N VAL 149.A O no hydrogen 2.763 N/A GLY 177.A N ASP 130.A OD1 no hydrogen 2.793 N/A TYR 178.A N PRO 175.A O no hydrogen 3.005 N/A GLN 180.A N ASP 130.A OD2 no hydrogen 2.829 N/A GLN 180.A NE2 SER 107.A O no hydrogen 2.859 N/A ALA 181.A N GLY 177.A O no hydrogen 2.826 N/A MET 182.A N TYR 178.A O no hydrogen 3.175 N/A LYS 183.A N GLY 179.A O no hydrogen 2.895 N/A LYS 183.A NZ VAL 133.A O no hydrogen 2.769 N/A LYS 183.A NZ GLN 187.A OE1 no hydrogen 2.864 N/A LEU 184.A N GLN 180.A O no hydrogen 2.852 N/A VAL 185.A N ALA 181.A O no hydrogen 3.135 N/A ASN 186.A N MET 182.A O no hydrogen 2.928 N/A GLN 187.A N LYS 183.A O no hydrogen 2.822 N/A GLN 187.A NE2 ASP 249.A OD2 no hydrogen 2.900 N/A VAL 188.A N LEU 184.A O no hydrogen 3.110 N/A VAL 189.A N VAL 185.A O no hydrogen 3.392 N/A VAL 190.A N ASN 186.A O no hydrogen 2.814 N/A ALA 191.A N GLN 187.A O no hydrogen 2.844 N/A LEU 192.A N VAL 188.A O no hydrogen 3.148 N/A ASN 193.A N VAL 189.A O no hydrogen 2.847 N/A THR 194.A N VAL 190.A O no hydrogen 2.949 N/A THR 194.A OG1 VAL 190.A O no hydrogen 2.836 N/A VAL 195.A N ALA 191.A O no hydrogen 2.960 N/A ALA 196.A N LEU 192.A O no hydrogen 2.815 N/A MET 197.A N ASN 193.A O no hydrogen 3.116 N/A VAL 198.A N THR 194.A O no hydrogen 2.958 N/A GLU 199.A N VAL 195.A O no hydrogen 2.865 N/A GLY 200.A N ALA 196.A O no hydrogen 2.864 N/A LEU 201.A N MET 197.A O no hydrogen 2.887 N/A LYS 202.A N VAL 198.A O no hydrogen 2.934 N/A LEU 203.A N GLU 199.A O no hydrogen 3.001 N/A ALA 204.A N GLY 200.A O no hydrogen 2.855 N/A LYS 205.A N LEU 201.A O no hydrogen 2.894 N/A ALA 206.A N LYS 202.A O no hydrogen 3.094 N/A LEU 207.A N LEU 203.A O no hydrogen 2.992 N/A GLY 208.A N LYS 205.A O no hydrogen 3.031 N/A LEU 209.A N ALA 204.A O no hydrogen 3.115 N/A ASP 212.A N ASP 210.A OD1 no hydrogen 2.886 N/A LYS 213.A N ASP 210.A OD1 no hydrogen 3.469 N/A VAL 214.A N ASP 210.A O no hydrogen 2.922 N/A ALA 215.A N MET 211.A O no hydrogen 2.903 N/A GLU 216.A N ASP 212.A O no hydrogen 3.009 N/A VAL 217.A N LYS 213.A O no hydrogen 2.873 N/A LEU 218.A N VAL 214.A O no hydrogen 2.874 N/A THR 219.A N ALA 215.A O no hydrogen 2.839 N/A THR 219.A OG1 ALA 215.A O no hydrogen 2.899 N/A THR 219.A OG1 GLU 216.A O no hydrogen 3.226 N/A ILE 225.A N SER 222.A OG no hydrogen 3.118 N/A GLU 226.A N SER 222.A O no hydrogen 2.940 N/A LEU 227.A N GLY 223.A O no hydrogen 2.845 N/A TYR 228.A N ALA 224.A O no hydrogen 2.849 N/A LEU 229.A N ILE 225.A O no hydrogen 3.024 N/A LYS 231.A NZ SER 238.A O no hydrogen 2.839 N/A LYS 231.A NZ SER 238.A OG no hydrogen 3.382 N/A LEU 232.A N TYR 228.A O no hydrogen 2.958 N/A LEU 233.A N LEU 229.A O no hydrogen 2.850 N/A LYS 234.A N PRO 230.A O no hydrogen 3.196 N/A GLY 235.A N LEU 232.A O no hydrogen 2.893 N/A ASP 236.A N LYS 231.A O no hydrogen 2.867 N/A SER 238.A N ASP 236.A OD1 no hydrogen 2.972 N/A SER 238.A OG ASP 236.A OD1 no hydrogen 2.638 N/A GLY 240.A N GLN 137.A OE1 no hydrogen 2.927 N/A ALA 243.A N LEU 285.A O no hydrogen 2.832 N/A GLU 244.A N GLY 283.A O no hydrogen 2.868 N/A HIS 245.A N LYS 242.A O no hydrogen 2.915 N/A LEU 246.A N LYS 242.A O no hydrogen 3.227 N/A LYS 247.A N ALA 243.A O no hydrogen 2.952 N/A LYS 247.A NZ TYR 271.A OH no hydrogen 3.143 N/A LYS 248.A N GLU 244.A O no hydrogen 3.115 N/A LYS 248.A NZ SER 78.A O no hydrogen 3.220 N/A LYS 248.A NZ THR 108.A O no hydrogen 2.919 N/A LYS 248.A NZ ASP 249.A OD1 no hydrogen 2.647 N/A ASP 249.A N HIS 245.A O no hydrogen 2.956 N/A LEU 250.A N LEU 246.A O no hydrogen 2.850 N/A GLY 251.A N LYS 247.A O no hydrogen 2.903 N/A TYR 252.A N LYS 248.A O no hydrogen 3.177 N/A TYR 252.A OH ASP 79.A OD1 no hydrogen 2.674 N/A VAL 253.A N ASP 249.A O no hydrogen 2.922 N/A LEU 254.A N LEU 250.A O no hydrogen 2.882 N/A GLU 255.A N GLY 251.A O no hydrogen 3.023 N/A GLU 256.A N TYR 252.A O no hydrogen 3.023 N/A ALA 257.A N VAL 253.A O no hydrogen 2.880 N/A ARG 258.A N LEU 254.A O no hydrogen 2.883 N/A LYS 259.A N GLU 255.A O no hydrogen 3.000 N/A ARG 260.A N GLU 256.A O no hydrogen 2.972 N/A GLY 261.A N ARG 258.A O no hydrogen 3.204 N/A VAL 262.A N ALA 257.A O no hydrogen 2.909 N/A GLU 268.A N LEU 264.A O no hydrogen 2.912 N/A LEU 269.A N PRO 265.A O no hydrogen 2.959 N/A ALA 270.A N GLY 266.A O no hydrogen 2.850 N/A TYR 271.A N ALA 267.A O no hydrogen 2.857 N/A GLU 272.A N GLU 268.A O no hydrogen 2.971 N/A LEU 273.A N LEU 269.A O no hydrogen 2.907 N/A TYR 274.A N ALA 270.A O no hydrogen 2.939 N/A TYR 274.A OH ILE 287.A O no hydrogen 2.824 N/A ARG 275.A N TYR 271.A O no hydrogen 2.763 N/A LYS 276.A N GLU 272.A O no hydrogen 2.969 N/A MET 277.A N LEU 273.A O no hydrogen 3.027 N/A VAL 278.A N TYR 274.A O no hydrogen 3.003 N/A GLU 279.A N ARG 275.A O no hydrogen 2.909 N/A ASP 280.A N LYS 276.A O no hydrogen 2.840 N/A GLY 281.A N VAL 278.A O no hydrogen 3.014 N/A ALA 282.A N MET 277.A O no hydrogen 3.011 N/A LEU 285.A N ALA 282.A O no hydrogen 3.013 N/A GLY 286.A N LEU 237.A O no hydrogen 2.835 N/A ILE 287.A N PHE 241.A O no hydrogen 2.792 N/A HIS 288.A NE2 ASP 236.A O no hydrogen 2.827 N/A ALA 289.A N GLY 286.A O no hydrogen 2.924 N/A LEU 290.A N ILE 287.A O no hydrogen 3.300 N/A PHE 292.A N ALA 289.A O no hydrogen 2.918 N/A TYR 293.A OH ASP 280.A OD2 no hydrogen 2.643 N/A