Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bgs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 HIS 3.A O no hydrogen 2.879 N/A HIS 3.A ND1 ASP 2.A OD1 no hydrogen 3.008 N/A PHE 4.A N MET 12.A O no hydrogen 2.779 N/A LEU 6.A N HIS 10.A O no hydrogen 2.905 N/A SER 8.A OG HIS 10.A ND1 no hydrogen 2.941 N/A SER 8.A OG ASP 150.A OD1 no hydrogen 2.960 N/A SER 8.A OG ASP 150.A OD2 no hydrogen 3.165 N/A GLY 9.A N LEU 6.A O no hydrogen 2.802 N/A HIS 10.A N SER 8.A OG no hydrogen 3.213 N/A HIS 10.A ND1 ASP 150.A OD2 no hydrogen 2.658 N/A MET 12.A N PHE 4.A O no hydrogen 2.702 N/A ALA 14.A N ASP 2.A O no hydrogen 2.987 N/A GLY 16.A N VAL 244.A O no hydrogen 2.929 N/A LEU 17.A N HIS 41.A O no hydrogen 2.932 N/A GLY 18.A N PRO 246.A O no hydrogen 2.938 N/A THR 19.A OG1 ASP 43.A O no hydrogen 2.766 N/A THR 19.A OG1 THR 44.A OG1 no hydrogen 2.888 N/A ARG 21.A NH1 GLU 209.A OE2 no hydrogen 2.708 N/A ARG 21.A NH2 GLU 209.A OE1 no hydrogen 2.982 N/A ALA 22.A N THR 19.A O no hydrogen 3.148 N/A THR 26.A N GLY 23.A O no hydrogen 3.270 N/A THR 26.A OG1 GLY 23.A O no hydrogen 2.642 N/A HIS 28.A NE2 ASP 251.A OD2 no hydrogen 2.695 N/A SER 29.A N ASP 25.A O no hydrogen 2.850 N/A SER 29.A OG ASP 25.A O no hydrogen 2.952 N/A VAL 30.A N THR 26.A O no hydrogen 2.981 N/A ARG 31.A N ALA 27.A O no hydrogen 3.070 N/A THR 32.A N HIS 28.A O no hydrogen 2.926 N/A THR 32.A OG1 HIS 28.A O no hydrogen 2.856 N/A THR 32.A OG1 ASP 251.A OD1 no hydrogen 3.538 N/A ALA 33.A N SER 29.A O no hydrogen 2.878 N/A ILE 34.A N VAL 30.A O no hydrogen 3.061 N/A THR 35.A N ARG 31.A O no hydrogen 2.835 N/A THR 35.A OG1 ARG 31.A O no hydrogen 2.789 N/A ALA 37.A N THR 32.A O no hydrogen 3.055 N/A TYR 39.A N ALA 33.A O no hydrogen 2.900 N/A TYR 39.A OH ILE 254.A O no hydrogen 2.648 N/A ARG 40.A NH1 ILE 34.A O no hydrogen 3.010 N/A ARG 40.A NH1 TYR 39.A O no hydrogen 2.930 N/A HIS 41.A ND1 PRO 13.A O no hydrogen 2.988 N/A VAL 42.A N PHE 72.A O no hydrogen 2.943 N/A ASP 43.A N LEU 17.A O no hydrogen 2.854 N/A THR 44.A N THR 74.A O no hydrogen 2.921 N/A THR 44.A OG1 THR 19.A OG1 no hydrogen 2.888 N/A ALA 45.A N THR 44.A OG1 no hydrogen 2.905 N/A TYR 48.A N ALA 45.A O no hydrogen 3.159 N/A GLY 49.A N ALA 46.A O no hydrogen 3.122 N/A VAL 54.A N VAL 50.A O no hydrogen 2.932 N/A GLY 55.A N GLU 51.A O no hydrogen 2.826 N/A LYS 56.A N LYS 52.A O no hydrogen 3.143 N/A LYS 56.A NZ GLU 53.A OE2 no hydrogen 3.094 N/A GLY 57.A N GLU 53.A O no hydrogen 3.027 N/A LEU 58.A N VAL 54.A O no hydrogen 2.830 N/A LYS 59.A N GLY 55.A O no hydrogen 2.862 N/A LYS 59.A NZ GLU 63.A OE1 no hydrogen 2.742 N/A ALA 60.A N LYS 56.A O no hydrogen 2.965 N/A ALA 61.A N GLY 57.A O no hydrogen 3.019 N/A MET 62.A N LEU 58.A O no hydrogen 2.917 N/A GLU 63.A N LYS 59.A O no hydrogen 2.775 N/A ALA 64.A N ALA 60.A O no hydrogen 2.919 N/A ALA 64.A N ALA 61.A O no hydrogen 3.130 N/A GLY 65.A N MET 62.A O no hydrogen 2.960 N/A ILE 66.A N ALA 61.A O no hydrogen 3.197 N/A ARG 68.A NH1 ARG 68.A O no hydrogen 2.934 N/A ARG 68.A NH1 LEU 71.A O no hydrogen 2.908 N/A ARG 68.A NH1 ASP 104.A OD2 no hydrogen 3.095 N/A ARG 68.A NH2 TYR 102.A O no hydrogen 2.874 N/A ARG 68.A NH2 ASP 104.A OD2 no hydrogen 2.932 N/A ASP 70.A N ASP 67.A O no hydrogen 2.938 N/A LEU 71.A N ARG 68.A O no hydrogen 3.023 N/A PHE 72.A N ARG 40.A O no hydrogen 2.781 N/A VAL 73.A N ASP 104.A OD2 no hydrogen 2.798 N/A THR 74.A N VAL 42.A O no hydrogen 3.020 N/A SER 75.A N LEU 105.A O no hydrogen 2.928 N/A SER 75.A OG GLU 51.A OE2 no hydrogen 2.453 N/A LYS 76.A N SER 75.A OG no hydrogen 2.689 N/A LYS 76.A NZ ASP 43.A OD2 no hydrogen 2.604 N/A LYS 76.A NZ THR 44.A O no hydrogen 3.091 N/A LYS 76.A NZ TYR 48.A OH no hydrogen 2.976 N/A ILE 77.A N HIS 107.A O no hydrogen 2.847 N/A ASN 81.A N TRP 78.A O no hydrogen 2.802 N/A LEU 82.A N CYS 79.A O no hydrogen 3.170 N/A ALA 83.A N ASN 81.A O no hydrogen 2.877 N/A ARG 86.A N ALA 83.A O no hydrogen 2.838 N/A ARG 86.A NE ASN 81.A OD1 no hydrogen 3.060 N/A ARG 86.A NH1 ASP 116.A OD1 no hydrogen 2.967 N/A ARG 86.A NH1 ASP 116.A OD2 no hydrogen 2.785 N/A ARG 86.A NH2 ASN 81.A OD1 no hydrogen 3.169 N/A ARG 86.A NH2 ASP 116.A OD1 no hydrogen 2.570 N/A VAL 87.A N PRO 84.A O no hydrogen 3.353 N/A ARG 88.A NH1 ASP 145.A OD2 no hydrogen 3.199 N/A ARG 88.A NH2 ASP 145.A OD2 no hydrogen 2.626 N/A ALA 90.A N ARG 86.A O no hydrogen 3.167 N/A LEU 91.A N VAL 87.A O no hydrogen 3.021 N/A GLU 92.A N ARG 88.A O no hydrogen 2.889 N/A ASN 93.A N PRO 89.A O no hydrogen 3.041 N/A THR 94.A N ALA 90.A O no hydrogen 3.102 N/A THR 94.A OG1 GLU 51.A OE1 no hydrogen 2.734 N/A LEU 95.A N LEU 91.A O no hydrogen 2.891 N/A LYS 96.A N GLU 92.A O no hydrogen 2.948 N/A ASP 97.A N ASN 93.A O no hydrogen 2.974 N/A LEU 98.A N THR 94.A O no hydrogen 2.932 N/A GLN 99.A N LYS 96.A O no hydrogen 3.133 N/A LEU 100.A N LEU 95.A O no hydrogen 3.137 N/A ILE 103.A N LEU 147.A O no hydrogen 2.997 N/A ASP 104.A N VAL 73.A O no hydrogen 2.939 N/A LEU 105.A N VAL 73.A O no hydrogen 3.186 N/A TYR 106.A N ASP 150.A O no hydrogen 3.074 N/A HIS 107.A N SER 75.A O no hydrogen 2.982 N/A ILE 108.A N GLY 152.A O no hydrogen 3.025 N/A HIS 109.A N ILE 77.A O no hydrogen 3.233 N/A PHE 112.A N TRP 110.A O no hydrogen 2.874 N/A LEU 114.A N CYS 79.A O no hydrogen 3.168 N/A LYS 115.A N GLU 126.A O no hydrogen 2.860 N/A ALA 118.A N LYS 115.A O no hydrogen 3.037 N/A HIS 119.A N GLU 126.A OE1 no hydrogen 2.928 N/A HIS 119.A ND1 GLU 126.A OE2 no hydrogen 2.823 N/A GLU 123.A N GLU 126.A OE1 no hydrogen 2.829 N/A GLU 126.A N GLU 123.A O no hydrogen 3.138 N/A LEU 128.A N ARG 113.A O no hydrogen 2.875 N/A MET 132.A N PHE 130.A O no hydrogen 2.865 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.745 N/A GLY 134.A N ASP 131.A OD1 no hydrogen 2.969 N/A VAL 135.A N ASP 131.A O no hydrogen 2.954 N/A TRP 136.A N MET 132.A O no hydrogen 2.860 N/A TRP 136.A NE1 ILE 170.A O no hydrogen 2.906 N/A LYS 137.A N GLU 133.A O no hydrogen 3.053 N/A GLU 138.A N GLY 134.A O no hydrogen 3.410 N/A MET 139.A N VAL 135.A O no hydrogen 3.011 N/A GLU 140.A N TRP 136.A O no hydrogen 2.892 N/A ASN 141.A N LYS 137.A O no hydrogen 3.055 N/A ASN 141.A ND2 GLU 138.A OE1 no hydrogen 2.974 N/A LEU 142.A N GLU 138.A O no hydrogen 3.228 N/A LEU 142.A N MET 139.A O no hydrogen 3.045 N/A VAL 143.A N GLU 140.A O no hydrogen 3.033 N/A LYS 144.A N GLU 140.A O no hydrogen 3.091 N/A LYS 144.A NZ ASP 145.A OD1 no hydrogen 2.931 N/A ASP 145.A N ASN 141.A O no hydrogen 3.018 N/A GLY 146.A N VAL 143.A O no hydrogen 2.856 N/A LEU 147.A N LEU 142.A O no hydrogen 2.954 N/A VAL 148.A N LEU 142.A O no hydrogen 3.359 N/A LYS 149.A N ILE 103.A O no hydrogen 2.962 N/A GLY 152.A N TYR 106.A O no hydrogen 2.923 N/A VAL 153.A N VAL 174.A O no hydrogen 3.074 N/A CYS 154.A N ILE 108.A O no hydrogen 2.972 N/A ASN 155.A N GLN 176.A O no hydrogen 3.130 N/A ASN 155.A ND2 HIS 109.A O no hydrogen 2.992 N/A THR 157.A OG1 ASP 305.A OD2 no hydrogen 2.705 N/A VAL 158.A N GLU 307.A OE1 no hydrogen 2.794 N/A THR 159.A N GLU 307.A OE2 no hydrogen 2.906 N/A THR 159.A OG1 GLU 307.A OE2 no hydrogen 2.750 N/A LYS 160.A N THR 157.A OG1 no hydrogen 3.111 N/A LYS 160.A NZ VAL 303.A O no hydrogen 3.304 N/A LYS 160.A NZ ASP 305.A OD2 no hydrogen 2.879 N/A LEU 161.A N THR 157.A O no hydrogen 2.825 N/A ASN 162.A N VAL 158.A O no hydrogen 2.883 N/A ARG 163.A N THR 159.A O no hydrogen 3.148 N/A ARG 163.A NE GLU 133.A OE2 no hydrogen 2.877 N/A ARG 163.A NH2 GLU 133.A OE1 no hydrogen 2.872 N/A LEU 164.A N LYS 160.A O no hydrogen 2.973 N/A LEU 165.A N LEU 161.A O no hydrogen 2.935 N/A ARG 166.A N ASN 162.A O no hydrogen 3.123 N/A ARG 166.A N ARG 163.A O no hydrogen 3.278 N/A SER 167.A N LEU 164.A O no hydrogen 3.084 N/A ALA 168.A N LEU 164.A O no hydrogen 2.831 N/A LYS 169.A N GLU 140.A OE2 no hydrogen 2.684 N/A ILE 170.A N GLU 140.A OE2 no hydrogen 2.880 N/A ALA 173.A N ILE 151.A O no hydrogen 2.738 N/A CYS 175.A N HIS 198.A O no hydrogen 2.834 N/A GLN 176.A N VAL 153.A O no hydrogen 2.866 N/A GLN 176.A NE2 ASP 43.A OD1 no hydrogen 2.973 N/A MET 177.A N THR 200.A O no hydrogen 3.024 N/A MET 179.A N TYR 202.A O no hydrogen 3.111 N/A HIS 180.A N TRP 183.A O no hydrogen 3.048 N/A HIS 180.A ND1 PRO 181.A O no hydrogen 2.856 N/A HIS 180.A NE2 GLU 178.A OE2 no hydrogen 2.698 N/A TRP 183.A N HIS 180.A O no hydrogen 2.819 N/A LYS 184.A N ASP 278.A OD1 no hydrogen 2.852 N/A LYS 184.A NZ CYS 274.A O no hydrogen 2.706 N/A LYS 184.A NZ ASP 278.A OD1 no hydrogen 3.165 N/A LYS 184.A NZ ASP 278.A OD2 no hydrogen 3.362 N/A ILE 188.A N ASN 185.A OD1 no hydrogen 3.121 N/A PHE 189.A N ASN 185.A O no hydrogen 3.257 N/A GLU 190.A N ASP 186.A O no hydrogen 2.856 N/A ALA 191.A N LYS 187.A O no hydrogen 3.258 N/A CYS 192.A N ILE 188.A O no hydrogen 2.921 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.416 N/A LYS 193.A N PHE 189.A O no hydrogen 2.881 N/A LYS 194.A N GLU 190.A O no hydrogen 3.016 N/A HIS 195.A N CYS 192.A O no hydrogen 3.057 N/A GLY 196.A N LYS 193.A O no hydrogen 3.074 N/A ILE 197.A N CYS 192.A O no hydrogen 2.866 N/A HIS 198.A N ALA 173.A O no hydrogen 3.266 N/A HIS 198.A NE2 SER 243.A OG no hydrogen 2.624 N/A THR 200.A N CYS 175.A O no hydrogen 3.013 N/A THR 200.A OG1 SER 243.A OG no hydrogen 2.646 N/A ALA 201.A N SER 243.A O no hydrogen 2.851 N/A TYR 202.A N MET 177.A O no hydrogen 2.829 N/A TYR 202.A OH ASN 155.A OD1 no hydrogen 2.675 N/A GLY 206.A N SER 203.A O no hydrogen 2.916 N/A SER 207.A OG GLU 209.A OE1 no hydrogen 3.257 N/A SER 208.A OG GLU 209.A OE1 no hydrogen 3.094 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.744 N/A LYS 210.A N GLY 206.A O no hydrogen 3.005 N/A ASN 211.A N SER 208.A O no hydrogen 3.385 N/A ASN 211.A ND2 SER 207.A O no hydrogen 2.925 N/A LEU 212.A N LEU 205.A O no hydrogen 2.789 N/A ALA 213.A N ASN 211.A OD1 no hydrogen 2.980 N/A ASP 215.A N LEU 212.A O no hydrogen 2.989 N/A VAL 217.A N ASP 215.A OD1 no hydrogen 2.784 N/A VAL 218.A N ASP 215.A OD1 no hydrogen 3.443 N/A GLU 219.A N ASP 215.A O no hydrogen 2.806 N/A LYS 220.A N PRO 216.A O no hydrogen 2.977 N/A VAL 221.A N VAL 217.A O no hydrogen 3.299 N/A ALA 222.A N VAL 218.A O no hydrogen 2.884 N/A ASN 223.A N GLU 219.A O no hydrogen 2.856 N/A LYS 224.A N LYS 220.A O no hydrogen 3.359 N/A LYS 224.A N VAL 221.A O no hydrogen 3.141 N/A LYS 224.A NZ ASP 269.A OD1 no hydrogen 2.907 N/A LYS 224.A NZ ASP 269.A OD2 no hydrogen 3.547 N/A LEU 225.A N VAL 221.A O no hydrogen 3.189 N/A LEU 225.A N ALA 222.A O no hydrogen 3.142 N/A LYS 227.A N ALA 222.A O no hydrogen 3.111 N/A THR 228.A N GLN 231.A OE1 no hydrogen 2.891 N/A THR 228.A OG1 GLU 256.A OE2 no hydrogen 2.526 N/A GLN 231.A N THR 228.A OG1 no hydrogen 3.097 N/A GLN 231.A NE2 GLU 256.A O no hydrogen 3.022 N/A VAL 232.A N THR 228.A O no hydrogen 3.017 N/A LEU 233.A N PRO 229.A O no hydrogen 2.938 N/A ILE 234.A N GLY 230.A O no hydrogen 2.963 N/A LYS 235.A N GLN 231.A O no hydrogen 2.856 N/A LYS 235.A NZ VAL 260.A O no hydrogen 2.918 N/A LYS 235.A NZ TRP 263.A O no hydrogen 3.035 N/A TRP 236.A N VAL 232.A O no hydrogen 2.902 N/A ALA 237.A N LEU 233.A O no hydrogen 3.435 N/A LEU 238.A N ILE 234.A O no hydrogen 3.240 N/A GLN 239.A N LYS 235.A O no hydrogen 2.804 N/A GLN 239.A NE2 ILE 265.A O no hydrogen 3.189 N/A ARG 240.A N TRP 236.A O no hydrogen 3.044 N/A ARG 240.A N ALA 237.A O no hydrogen 2.989 N/A ARG 240.A NH2 LYS 184.A O no hydrogen 2.913 N/A ARG 240.A NH2 ASP 186.A OD1 no hydrogen 2.946 N/A GLY 241.A N LEU 238.A O no hydrogen 2.953 N/A THR 242.A N ALA 237.A O no hydrogen 3.227 N/A THR 242.A OG1 ALA 237.A O no hydrogen 3.270 N/A THR 242.A OG1 SER 243.A O no hydrogen 3.112 N/A SER 243.A N ILE 199.A O no hydrogen 2.978 N/A SER 243.A OG HIS 198.A NE2 no hydrogen 2.624 N/A SER 243.A OG ILE 199.A O no hydrogen 3.411 N/A SER 243.A OG THR 200.A OG1 no hydrogen 2.646 N/A VAL 244.A N ALA 14.A O no hydrogen 2.834 N/A ILE 245.A N ALA 201.A O no hydrogen 3.399 N/A SER 248.A OG LYS 250.A O no hydrogen 3.540 N/A LYS 250.A N SER 248.A OG no hydrogen 3.013 N/A ILE 254.A N LYS 250.A O no hydrogen 2.920 N/A LYS 255.A N.A ASP 251.A O no hydrogen 3.049 N/A LYS 255.A N.B ASP 251.A O no hydrogen 3.044 N/A LYS 255.A NZ.A GLU 36.A OE1 no hydrogen 2.736 N/A LYS 255.A NZ.B GLU 36.A O no hydrogen 3.392 N/A GLU 256.A N GLU 252.A O no hydrogen 2.950 N/A ASN 257.A N ARG 253.A O no hydrogen 2.754 N/A ILE 258.A N LYS 255.A O.A no hydrogen 3.299 N/A ILE 258.A N LYS 255.A O.B no hydrogen 3.294 N/A GLN 259.A N GLU 256.A O no hydrogen 3.190 N/A GLN 259.A NE2 LYS 255.A O.A no hydrogen 2.771 N/A GLN 259.A NE2 LYS 255.A O.B no hydrogen 2.778 N/A TRP 263.A NE1 GLN 259.A O no hydrogen 3.093 N/A ILE 265.A N GLN 239.A OE1 no hydrogen 2.566 N/A PHE 270.A N PRO 266.A O no hydrogen 2.856 N/A LYS 271.A N GLU 267.A O no hydrogen 2.859 N/A VAL 272.A N GLU 268.A O no hydrogen 3.184 N/A LEU 273.A N ASP 269.A O no hydrogen 3.099 N/A CYS 274.A N PHE 270.A O no hydrogen 2.963 N/A CYS 274.A SG PHE 270.A O no hydrogen 3.284 N/A SER 275.A N LYS 271.A O no hydrogen 2.937 N/A SER 275.A N VAL 272.A O no hydrogen 3.184 N/A SER 275.A OG LYS 271.A O no hydrogen 3.012 N/A ILE 276.A N LEU 273.A O no hydrogen 3.389 N/A GLU 279.A N GLY 182.A O no hydrogen 2.923 N/A LYS 280.A N GLY 182.A O no hydrogen 2.976 N/A ARG 281.A NH1 ASN 308.A OD1 no hydrogen 2.813 N/A ARG 281.A NH2 ASN 308.A OD1 no hydrogen 3.113 N/A VAL 282.A N GLU 178.A OE2 no hydrogen 2.720 N/A LEU 283.A N GLU 178.A OE1 no hydrogen 2.974 N/A THR 284.A OG1 GLU 286.A OE2 no hydrogen 2.714 N/A GLU 286.A N THR 284.A OG1 no hydrogen 3.237 N/A LEU 288.A N GLY 285.A O no hydrogen 3.132 N/A PHE 289.A N GLY 285.A O no hydrogen 2.896 N/A VAL 290.A N GLU 286.A O no hydrogen 3.089 N/A ASN 291.A N TYR 297.A O no hydrogen 2.926 N/A ASN 291.A ND2 PRO 122.A O no hydrogen 2.956 N/A HIS 294.A N ASN 291.A OD1 no hydrogen 2.707 N/A GLY 295.A N ASN 291.A O no hydrogen 2.785 N/A ARG 298.A N ASP 302.A OD2 no hydrogen 2.827 N/A ARG 298.A NH1 LYS 292.A O no hydrogen 3.082 N/A ARG 298.A NH1 THR 293.A O no hydrogen 2.972 N/A ASP 302.A N SER 299.A OG no hydrogen 3.205 N/A VAL 303.A N SER 299.A O no hydrogen 3.353 N/A TRP 304.A N ALA 300.A O no hydrogen 3.081 N/A TRP 304.A NE1 THR 284.A O no hydrogen 2.894 N/A ASP 305.A N ASP 302.A O no hydrogen 3.418 N/A HIS 306.A N ARG 301.A O no hydrogen 2.888 N/A HIS 306.A NE2 ASP 302.A OD1 no hydrogen 2.855 N/A GLU 307.A N TRP 304.A O no hydrogen 3.019 N/A