Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gsa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 81.A OD2 no hydrogen 2.891 N/A LEU 4.A N GLU 34.A O no hydrogen 2.964 N/A GLY 5.A N VAL 82.A O no hydrogen 2.845 N/A ILE 6.A N HIS 36.A O no hydrogen 3.007 N/A VAL 7.A N LEU 84.A O no hydrogen 2.955 N/A MET 8.A N MET 38.A O no hydrogen 3.144 N/A ILE 11.A N TYR 37.A OH no hydrogen 3.100 N/A ASN 13.A N PRO 10.A O no hydrogen 3.027 N/A ILE 14.A N ILE 11.A O no hydrogen 3.370 N/A LYS 17.A N ASN 15.A OD1 no hydrogen 2.872 N/A LYS 18.A N ASN 15.A O no hydrogen 3.025 N/A LYS 18.A NZ GLU 292.A OE2 no hydrogen 2.731 N/A ASP 19.A N ASN 15.A O no hydrogen 2.891 N/A SER 20.A OG THR 288.A OG1 no hydrogen 2.776 N/A PHE 22.A N ASP 19.A OD1 no hydrogen 3.018 N/A ALA 23.A N ASP 19.A O no hydrogen 3.421 N/A MET 24.A N SER 20.A O no hydrogen 3.084 N/A LEU 25.A N SER 21.A O no hydrogen 3.037 N/A LEU 26.A N PHE 22.A O no hydrogen 3.019 N/A GLU 27.A N ALA 23.A O no hydrogen 3.316 N/A ALA 28.A N MET 24.A O no hydrogen 2.946 N/A GLN 29.A N LEU 25.A O no hydrogen 2.999 N/A GLN 29.A NE2 VAL 59.A O no hydrogen 2.871 N/A ARG 30.A N LEU 26.A O no hydrogen 2.900 N/A ARG 30.A NE GLU 27.A OE1 no hydrogen 3.033 N/A ARG 30.A NH2 GLU 27.A OE2 no hydrogen 3.068 N/A ARG 31.A N GLU 27.A O no hydrogen 3.066 N/A ARG 31.A N ALA 28.A O no hydrogen 3.232 N/A ARG 31.A NE GLU 27.A OE2 no hydrogen 2.863 N/A ARG 31.A NH1 ASP 307.A OD1 no hydrogen 3.120 N/A ARG 31.A NH1 GLU 310.A OE2 no hydrogen 2.874 N/A ARG 31.A NH2 GLU 27.A OE2 no hydrogen 3.469 N/A ARG 31.A NH2 ASP 307.A OD1 no hydrogen 3.082 N/A GLY 32.A N GLN 29.A O no hydrogen 2.962 N/A TYR 33.A N ALA 28.A O no hydrogen 3.065 N/A TYR 33.A OH GLU 310.A OE2 no hydrogen 2.642 N/A GLU 34.A N ILE 2.A O no hydrogen 2.885 N/A HIS 36.A N LEU 4.A O no hydrogen 2.901 N/A HIS 36.A ND1 THR 54.A OG1 no hydrogen 2.828 N/A HIS 36.A NE2 GLU 34.A OE2 no hydrogen 3.044 N/A TYR 37.A N ARG 55.A O no hydrogen 2.861 N/A TYR 37.A OH GLU 39.A OE2 no hydrogen 2.571 N/A MET 38.A N ILE 6.A O no hydrogen 2.816 N/A GLU 39.A N ASP 42.A OD2 no hydrogen 3.009 N/A ASP 42.A N GLU 39.A O no hydrogen 2.998 N/A TYR 44.A N ARG 51.A O no hydrogen 3.016 N/A TYR 44.A OH ASP 74.A OD1 no hydrogen 3.063 N/A TYR 44.A OH ASP 74.A OD2 no hydrogen 2.789 N/A ILE 46.A N GLU 49.A O no hydrogen 3.086 N/A GLU 49.A N ILE 46.A O no hydrogen 2.918 N/A ARG 51.A N TYR 44.A O no hydrogen 2.994 N/A ARG 51.A NE TYR 44.A OH no hydrogen 3.236 N/A ARG 51.A NE ASP 74.A OD1 no hydrogen 3.043 N/A ARG 51.A NH1 GLU 49.A OE1 no hydrogen 3.091 N/A ARG 51.A NH2 ASP 74.A OD1 no hydrogen 3.019 N/A ALA 52.A N LEU 75.A O no hydrogen 2.947 N/A HIS 53.A N ASP 42.A O no hydrogen 3.069 N/A HIS 53.A ND1 ASP 42.A OD1 no hydrogen 3.182 N/A HIS 53.A NE2 GLU 72.A OE2 no hydrogen 2.875 N/A THR 54.A N GLN 73.A O no hydrogen 2.796 N/A THR 54.A OG1 HIS 36.A ND1 no hydrogen 2.828 N/A THR 54.A OG1 GLN 73.A OE1 no hydrogen 2.866 N/A ARG 55.A N TYR 37.A O no hydrogen 3.407 N/A ARG 55.A NH2 ASP 42.A OD2 no hydrogen 3.480 N/A THR 56.A N GLY 71.A O no hydrogen 2.905 N/A THR 56.A OG1 GLN 73.A OE1 no hydrogen 3.131 N/A LEU 57.A N LEU 35.A O no hydrogen 2.886 N/A ASN 58.A N SER 68.A O no hydrogen 2.900 N/A VAL 59.A N GLN 29.A OE1 no hydrogen 2.957 N/A LYS 60.A N TRP 66.A O no hydrogen 3.022 N/A LYS 60.A NZ GLU 65.A O no hydrogen 2.748 N/A LYS 60.A NZ GLU 65.A OE1 no hydrogen 2.971 N/A GLU 64.A N ASN 62.A OD1 no hydrogen 2.841 N/A GLU 65.A N ASN 62.A OD1 no hydrogen 2.901 N/A TRP 66.A NE1 ILE 11.A O no hydrogen 3.067 N/A SER 68.A N ASN 58.A O no hydrogen 3.056 N/A VAL 70.A N THR 56.A O no hydrogen 2.760 N/A GLN 73.A N THR 54.A O no hydrogen 3.027 N/A LEU 75.A N ALA 52.A O no hydrogen 3.021 N/A LEU 77.A N ALA 50.A O no hydrogen 3.122 N/A ASP 79.A N PRO 76.A O no hydrogen 2.990 N/A LEU 80.A N LEU 77.A O no hydrogen 2.841 N/A ASP 81.A N LYS 3.A O no hydrogen 2.962 N/A ILE 83.A N LEU 111.A O no hydrogen 2.952 N/A LEU 84.A N GLY 5.A O no hydrogen 2.913 N/A MET 85.A N VAL 113.A O no hydrogen 2.856 N/A ARG 86.A N VAL 7.A O no hydrogen 2.970 N/A ARG 86.A NE SER 21.A OG no hydrogen 2.990 N/A ARG 86.A NH1 PRO 287.A O no hydrogen 3.058 N/A ARG 86.A NH2 PRO 287.A O no hydrogen 2.931 N/A LYS 87.A NZ ASP 9.A OD1 no hydrogen 3.036 N/A LYS 87.A NZ ASP 88.A O no hydrogen 3.054 N/A ASP 88.A N ASP 9.A OD2 no hydrogen 2.937 N/A PHE 91.A N ASP 163.A O no hydrogen 3.424 N/A PHE 95.A N ASP 92.A OD1 no hydrogen 2.927 N/A ILE 96.A N ASP 92.A O no hydrogen 3.267 N/A TYR 97.A N THR 93.A O no hydrogen 2.820 N/A ALA 98.A N GLU 94.A O no hydrogen 2.953 N/A THR 99.A N PHE 95.A O no hydrogen 3.208 N/A THR 99.A N ILE 96.A O no hydrogen 2.928 N/A THR 99.A OG1 ILE 96.A O no hydrogen 2.610 N/A TYR 100.A N TYR 97.A O no hydrogen 3.080 N/A ILE 101.A N TYR 97.A O no hydrogen 3.447 N/A LEU 102.A N ALA 98.A O no hydrogen 2.902 N/A GLU 103.A N THR 99.A O no hydrogen 2.865 N/A ARG 104.A N TYR 100.A O no hydrogen 3.161 N/A ARG 104.A N ILE 101.A O no hydrogen 3.177 N/A ARG 104.A NE GLY 48.A O no hydrogen 2.824 N/A ARG 104.A NH2 GLY 48.A O no hydrogen 3.011 N/A GLU 106.A N LEU 102.A O no hydrogen 3.017 N/A GLU 107.A N GLU 103.A O no hydrogen 3.084 N/A LYS 108.A N ALA 105.A O no hydrogen 2.859 N/A GLY 109.A N GLU 106.A O no hydrogen 2.964 N/A THR 110.A N ALA 105.A O no hydrogen 3.455 N/A THR 110.A OG1 LEU 77.A O no hydrogen 3.493 N/A THR 110.A OG1 LEU 80.A O no hydrogen 3.049 N/A LEU 111.A N ASP 81.A O no hydrogen 2.970 N/A VAL 113.A N ILE 83.A O no hydrogen 3.116 N/A ASN 114.A ND2 PHE 269.A O no hydrogen 2.951 N/A ASN 114.A ND2 VAL 284.A O no hydrogen 2.825 N/A LYS 115.A N GLY 266.A O no hydrogen 3.181 N/A LYS 115.A NZ GLU 106.A OE1 no hydrogen 3.236 N/A LYS 115.A NZ GLU 106.A OE2 no hydrogen 3.302 N/A SER 118.A OG LYS 265.A O no hydrogen 2.729 N/A LEU 119.A N LYS 115.A O no hydrogen 3.007 N/A ARG 120.A N PRO 116.A O no hydrogen 3.316 N/A ARG 120.A N GLN 117.A O no hydrogen 3.255 N/A ARG 120.A NH1 THR 99.A OG1 no hydrogen 2.955 N/A ARG 120.A NH1 GLU 103.A OE1 no hydrogen 3.063 N/A ARG 120.A NH2 GLU 103.A OE1 no hydrogen 2.796 N/A ASP 121.A N GLN 117.A O no hydrogen 3.040 N/A CYS 122.A N SER 118.A O no hydrogen 2.826 N/A CYS 122.A SG SER 118.A O no hydrogen 3.284 N/A ASN 123.A ND2 LEU 162.A O no hydrogen 3.151 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 3.102 N/A LYS 125.A NZ GLU 281.A OE1 no hydrogen 3.041 N/A LEU 126.A N ASN 123.A OD1 no hydrogen 2.816 N/A PHE 127.A N ASN 123.A O no hydrogen 2.951 N/A THR 128.A N LYS 125.A O no hydrogen 3.327 N/A THR 128.A OG1 LYS 125.A O no hydrogen 2.711 N/A ALA 129.A N LEU 126.A O no hydrogen 3.088 N/A TRP 130.A N PHE 127.A O no hydrogen 2.998 N/A PHE 131.A N THR 128.A O no hydrogen 2.868 N/A LEU 134.A N PHE 131.A O no hydrogen 2.829 N/A THR 135.A OG1 PRO 136.A O no hydrogen 3.215 N/A GLU 137.A N ASN 199.A OD1 no hydrogen 2.687 N/A THR 138.A OG1 PRO 136.A O no hydrogen 2.993 N/A LEU 139.A N ALA 197.A O no hydrogen 2.988 N/A THR 141.A N CYS 195.A O no hydrogen 3.079 N/A THR 141.A OG1 GLN 146.A OE1 no hydrogen 3.114 N/A ASN 143.A N THR 141.A OG1 no hydrogen 3.175 N/A ASN 143.A ND2 GLN 146.A OE1 no hydrogen 2.987 N/A LYS 144.A NZ GLU 185.A OE2 no hydrogen 2.950 N/A GLN 146.A N ASN 143.A O no hydrogen 2.999 N/A LEU 147.A N ASN 143.A O no hydrogen 3.156 N/A LYS 148.A N LYS 144.A O no hydrogen 2.874 N/A LYS 148.A NZ GLU 152.A OE2 no hydrogen 2.896 N/A ALA 149.A N ALA 145.A O no hydrogen 3.068 N/A PHE 150.A N GLN 146.A O no hydrogen 2.987 N/A TRP 151.A N LEU 147.A O no hydrogen 3.036 N/A GLU 152.A N LYS 148.A O no hydrogen 2.885 N/A LYS 153.A N ALA 149.A O no hydrogen 3.031 N/A HIS 154.A N PHE 150.A O no hydrogen 3.003 N/A SER 155.A N TRP 151.A O no hydrogen 2.717 N/A ASP 156.A N HIS 154.A O no hydrogen 2.778 N/A ILE 157.A N VAL 173.A O no hydrogen 2.925 N/A ILE 158.A N GLN 198.A O no hydrogen 2.853 N/A LEU 159.A N PHE 171.A O no hydrogen 2.979 N/A LYS 160.A N MET 196.A O no hydrogen 2.896 N/A LYS 160.A NZ GLN 198.A OE1 no hydrogen 3.109 N/A ALA 168.A N MET 165.A O no hydrogen 3.354 N/A PHE 171.A N LEU 159.A O no hydrogen 2.958 N/A ARG 172.A NE ASP 156.A OD1 no hydrogen 2.901 N/A ARG 172.A NH2 ASP 156.A OD2 no hydrogen 2.931 N/A VAL 173.A N ILE 157.A O no hydrogen 2.754 N/A ASP 177.A N LYS 174.A O no hydrogen 3.286 N/A ASN 179.A N ASP 177.A OD2 no hydrogen 3.024 N/A ILE 183.A N ASN 179.A O no hydrogen 2.935 N/A ALA 184.A N LEU 180.A O no hydrogen 2.897 N/A GLU 185.A N GLY 181.A O no hydrogen 2.910 N/A THR 186.A N VAL 182.A O no hydrogen 2.922 N/A THR 186.A OG1 VAL 182.A O no hydrogen 2.821 N/A LEU 187.A N ILE 183.A O no hydrogen 2.849 N/A THR 188.A N ALA 184.A O no hydrogen 2.955 N/A THR 188.A OG1 ALA 184.A O no hydrogen 2.643 N/A HIS 190.A N GLU 185.A O no hydrogen 2.913 N/A GLY 191.A N THR 188.A OG1 no hydrogen 3.154 N/A THR 192.A N THR 188.A O no hydrogen 2.750 N/A THR 192.A OG1 THR 188.A O no hydrogen 3.552 N/A THR 192.A OG1 GLU 189.A O no hydrogen 2.851 N/A ARG 193.A N THR 188.A O no hydrogen 2.781 N/A CYS 195.A N THR 141.A O no hydrogen 2.998 N/A CYS 195.A SG THR 141.A O no hydrogen 3.924 N/A MET 196.A N LYS 160.A O no hydrogen 2.948 N/A ALA 197.A N LEU 139.A O no hydrogen 2.846 N/A GLN 198.A N ILE 158.A O no hydrogen 2.782 N/A ASN 199.A N GLU 137.A O no hydrogen 3.318 N/A TYR 200.A N ASP 156.A O no hydrogen 2.950 N/A ILE 204.A N LEU 201.A O no hydrogen 3.041 N/A LYS 205.A N PRO 202.A O no hydrogen 3.193 N/A ASP 206.A N ALA 203.A O no hydrogen 2.827 N/A GLY 207.A N ILE 204.A O no hydrogen 2.805 N/A ASP 208.A N ARG 225.A O no hydrogen 2.793 N/A LYS 209.A N ILE 274.A O no hydrogen 2.833 N/A LYS 209.A NZ ASP 251.A OD1 no hydrogen 2.798 N/A LYS 209.A NZ ASP 251.A OD2 no hydrogen 3.186 N/A LYS 209.A NZ GLY 276.A O no hydrogen 3.334 N/A ARG 210.A N LEU 223.A O no hydrogen 2.819 N/A ARG 210.A NE LEU 272.A O no hydrogen 3.247 N/A ARG 210.A NE ASP 273.A OD1 no hydrogen 3.235 N/A ARG 210.A NH1 THR 288.A O no hydrogen 3.375 N/A ARG 210.A NH2 ASP 273.A OD1 no hydrogen 2.786 N/A VAL 211.A N LEU 272.A O no hydrogen 2.868 N/A VAL 213.A N VAL 270.A O no hydrogen 2.877 N/A VAL 214.A N GLU 217.A O no hydrogen 2.933 N/A ASP 215.A N ILE 268.A O no hydrogen 2.790 N/A GLU 217.A N VAL 214.A O no hydrogen 3.035 N/A VAL 219.A N LEU 212.A O no hydrogen 2.888 N/A CYS 222.A N ARG 245.A O no hydrogen 2.830 N/A CYS 222.A SG ARG 245.A O no hydrogen 3.971 N/A LEU 223.A N ARG 210.A O no hydrogen 3.239 N/A ALA 224.A N GLU 243.A O no hydrogen 2.736 N/A ARG 225.A N ASP 208.A O no hydrogen 2.790 N/A ARG 225.A NH1 ASP 208.A O no hydrogen 3.545 N/A ARG 225.A NH1 ASP 273.A OD2 no hydrogen 3.562 N/A ILE 226.A N ARG 241.A O no hydrogen 2.918 N/A THR 232.A N GLU 231.A OE2 no hydrogen 3.018 N/A ARG 233.A NE GLY 167.A O no hydrogen 2.945 N/A ARG 233.A NH1 GLU 231.A OE2 no hydrogen 2.878 N/A ARG 233.A NH2 GLY 167.A O no hydrogen 3.102 N/A ALA 238.A N ASN 235.A O no hydrogen 2.921 N/A GLY 239.A N LEU 236.A O no hydrogen 2.930 N/A GLY 240.A N ASN 235.A O no hydrogen 2.808 N/A ARG 241.A N ILE 226.A O no hydrogen 2.789 N/A ARG 241.A NE GLN 228.A OE1 no hydrogen 3.248 N/A ARG 241.A NH2 GLU 243.A OE1 no hydrogen 3.229 N/A GLU 243.A N ALA 224.A O no hydrogen 2.854 N/A ARG 245.A N CYS 222.A O no hydrogen 2.953 N/A ARG 245.A NE GLU 243.A OE2 no hydrogen 3.309 N/A ARG 245.A NH1 ASP 206.A O no hydrogen 2.989 N/A ARG 245.A NH2 ASP 206.A O no hydrogen 2.991 N/A ARG 245.A NH2 GLU 243.A OE2 no hydrogen 2.998 N/A LEU 247.A N PRO 220.A O no hydrogen 3.111 N/A THR 248.A N ASP 251.A OD2 no hydrogen 3.095 N/A THR 248.A OG1 ASP 251.A OD2 no hydrogen 3.206 N/A TRP 252.A N THR 248.A O no hydrogen 3.127 N/A LYS 253.A N GLU 249.A O no hydrogen 3.269 N/A LYS 253.A NZ GLU 249.A O no hydrogen 2.953 N/A ILE 254.A N SER 250.A O no hydrogen 3.105 N/A ALA 255.A N ASP 251.A O no hydrogen 3.111 N/A ARG 256.A N TRP 252.A O no hydrogen 2.935 N/A ARG 256.A NH1 GLU 217.A OE2 no hydrogen 2.969 N/A ARG 256.A NH2 GLU 217.A OE1 no hydrogen 2.855 N/A ARG 256.A NH2 GLU 217.A OE2 no hydrogen 3.271 N/A GLN 257.A N LYS 253.A O no hydrogen 3.240 N/A GLN 257.A N ILE 254.A O no hydrogen 2.864 N/A GLN 257.A NE2 LYS 253.A O no hydrogen 3.625 N/A ILE 258.A N ILE 254.A O no hydrogen 3.078 N/A GLY 259.A N ALA 255.A O no hydrogen 2.821 N/A THR 261.A N ILE 258.A O no hydrogen 2.883 N/A LEU 262.A N ILE 258.A O no hydrogen 3.352 N/A LYS 263.A N GLY 259.A O no hydrogen 3.173 N/A GLU 264.A N PRO 260.A O no hydrogen 3.086 N/A LYS 265.A N THR 261.A O no hydrogen 2.882 N/A GLY 266.A N LYS 263.A O no hydrogen 3.014 N/A LEU 267.A N LEU 262.A O no hydrogen 2.863 N/A PHE 269.A N ASN 114.A OD1 no hydrogen 3.065 N/A VAL 270.A N VAL 213.A O no hydrogen 3.003 N/A GLY 271.A N ASN 283.A O no hydrogen 2.847 N/A LEU 272.A N VAL 211.A O no hydrogen 2.766 N/A ASP 273.A N GLU 281.A O no hydrogen 3.182 N/A ILE 274.A N LYS 209.A O no hydrogen 2.853 N/A ILE 275.A N ARG 278.A O no hydrogen 2.837 N/A ARG 278.A N ILE 275.A O no hydrogen 2.919 N/A ARG 278.A NE ASP 277.A O no hydrogen 2.902 N/A ARG 278.A NH1 ASP 133.A O no hydrogen 3.192 N/A ARG 278.A NH1 THR 135.A O no hydrogen 3.281 N/A ARG 278.A NH2 ASP 277.A O no hydrogen 2.955 N/A LEU 279.A N LEU 134.A O no hydrogen 2.936 N/A THR 280.A N ASP 273.A O no hydrogen 3.125 N/A THR 280.A OG1 ASP 273.A O no hydrogen 3.376 N/A ILE 282.A N GLU 124.A O no hydrogen 2.977 N/A ASN 283.A N GLY 271.A O no hydrogen 2.772 N/A ASN 283.A ND2 GLU 281.A OE2 no hydrogen 3.332 N/A THR 285.A N GLU 124.A OE2 no hydrogen 3.093 N/A THR 285.A OG1 GLU 124.A OE2 no hydrogen 2.697 N/A SER 286.A OG ARG 86.A O no hydrogen 2.978 N/A SER 286.A OG ASP 88.A OD1 no hydrogen 3.069 N/A THR 288.A OG1 SER 20.A OG no hydrogen 2.776 N/A ARG 291.A NE ILE 16.A O no hydrogen 3.538 N/A ARG 291.A NH2 ILE 16.A O no hydrogen 3.413 N/A GLU 292.A N GLU 292.A OE1 no hydrogen 2.771 N/A ILE 293.A N CYS 289.A O no hydrogen 3.397 N/A GLU 294.A N ILE 290.A O no hydrogen 2.977 N/A ALA 295.A N ARG 291.A O no hydrogen 2.874 N/A GLU 296.A N ILE 293.A O no hydrogen 3.095 N/A PHE 297.A N ILE 293.A O no hydrogen 3.090 N/A VAL 299.A N PHE 297.A O no hydrogen 2.955 N/A SER 300.A OG THR 302.A OG1 no hydrogen 3.315 N/A ILE 301.A N GLU 294.A OE2 no hydrogen 2.909 N/A THR 302.A N GLU 294.A OE2 no hydrogen 3.483 N/A THR 302.A OG1 SER 300.A OG no hydrogen 3.315 N/A GLY 303.A N SER 300.A OG no hydrogen 3.327 N/A MET 304.A N SER 300.A O no hydrogen 3.031 N/A LEU 305.A N ILE 301.A O no hydrogen 2.957 N/A MET 306.A N THR 302.A O no hydrogen 2.887 N/A ASP 307.A N GLY 303.A O no hydrogen 2.917 N/A ALA 308.A N MET 304.A O no hydrogen 2.884 N/A ILE 309.A N LEU 305.A O no hydrogen 2.989 N/A GLU 310.A N MET 306.A O no hydrogen 2.846 N/A ALA 311.A N ASP 307.A O no hydrogen 3.041 N/A ARG 312.A N ALA 308.A O no hydrogen 2.932 N/A ARG 312.A NE ASP 215.A OD2 no hydrogen 3.122 N/A ARG 312.A NH2 ASP 215.A OD1 no hydrogen 2.766 N/A ARG 312.A NH2 ASP 215.A OD2 no hydrogen 3.512 N/A ARG 312.A NH2 LYS 263.A O no hydrogen 3.133 N/A LEU 313.A N ILE 309.A O no hydrogen 2.866 N/A LEU 313.A N GLU 310.A O no hydrogen 3.222 N/A GLN 314.A N ALA 311.A O no hydrogen 3.013 N/A