Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3exi_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N GLU 181.A OE2 no hydrogen 2.189 N/A VAL 3.A N PHE 180.A O no hydrogen 2.897 N/A VAL 5.A N VAL 178.A O no hydrogen 3.176 N/A ARG 6.A N TYR 176.A O no hydrogen 2.888 N/A ARG 6.A NE TYR 37.A O no hydrogen 2.704 N/A ARG 6.A NH2 TYR 37.A O no hydrogen 3.370 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.181 N/A ALA 8.A N THR 4.A O no hydrogen 2.948 N/A ALA 8.A N VAL 5.A O no hydrogen 3.139 N/A ILE 9.A N VAL 5.A O no hydrogen 3.175 N/A ASN 10.A N ARG 6.A O no hydrogen 3.140 N/A ASN 10.A ND2 VAL 39.A O no hydrogen 2.771 N/A ASN 10.A ND2 ARG 41.A O no hydrogen 2.831 N/A GLN 11.A N ASP 7.A O no hydrogen 2.998 N/A GLY 12.A N ALA 8.A O no hydrogen 3.001 N/A MET 13.A N ILE 9.A O no hydrogen 2.965 N/A ASP 14.A N ASN 10.A O no hydrogen 2.882 N/A GLU 15.A N GLN 11.A O no hydrogen 2.905 N/A GLU 16.A N GLY 12.A O no hydrogen 2.949 N/A LEU 17.A N MET 13.A O no hydrogen 2.793 N/A GLU 18.A N ASP 14.A O no hydrogen 2.913 N/A ARG 19.A N GLU 15.A O no hydrogen 2.859 N/A ASP 20.A N GLU 16.A O no hydrogen 3.115 N/A LYS 22.A N ASP 20.A OD1 no hydrogen 2.719 N/A LYS 22.A NZ GLY 73.A O no hydrogen 3.534 N/A VAL 23.A N ASP 20.A O no hydrogen 2.907 N/A PHE 24.A N ARG 75.A O no hydrogen 3.407 N/A LEU 25.A N ARG 51.A O no hydrogen 2.768 N/A LEU 26.A N ILE 77.A O no hydrogen 2.934 N/A GLY 27.A N ILE 53.A O no hydrogen 3.114 N/A ALA 31.A N ASP 54.A OD1 no hydrogen 2.764 N/A GLN 32.A N GLU 29.A O no hydrogen 3.134 N/A GLN 32.A NE2 ASP 54.A OD2 no hydrogen 3.566 N/A LYS 38.A N GLY 35.A O no hydrogen 2.554 N/A ARG 41.A N LYS 38.A O no hydrogen 3.227 N/A ARG 41.A NE TYR 33.A O no hydrogen 3.098 N/A ARG 41.A NH2 TYR 33.A O no hydrogen 3.386 N/A ARG 41.A NH2 ASP 34.A OD2 no hydrogen 2.586 N/A LEU 43.A N SER 40.A O no hydrogen 3.009 N/A TRP 44.A NE1 ASP 49.A OD1 no hydrogen 2.804 N/A LYS 46.A N GLY 42.A O no hydrogen 3.291 N/A LYS 46.A N LEU 43.A O no hydrogen 2.935 N/A LYS 46.A NZ ASP 14.A OD1 no hydrogen 2.803 N/A LYS 46.A NZ GLU 18.A OE1 no hydrogen 2.892 N/A LYS 46.A NZ TYR 47.A OH no hydrogen 3.337 N/A TYR 47.A N LEU 43.A O no hydrogen 2.809 N/A TYR 47.A OH ASP 14.A O no hydrogen 2.957 N/A TYR 47.A OH ASP 14.A OD1 no hydrogen 2.765 N/A GLY 48.A N TRP 44.A O no hydrogen 2.633 N/A ARG 51.A N GLY 48.A O no hydrogen 3.208 N/A ARG 51.A NE VAL 23.A O no hydrogen 3.037 N/A ARG 51.A NH2 LEU 17.A O no hydrogen 3.002 N/A ARG 51.A NH2 VAL 23.A O no hydrogen 2.621 N/A ILE 52.A N GLY 48.A O no hydrogen 3.035 N/A ILE 53.A N LEU 25.A O no hydrogen 2.993 N/A THR 55.A N GLY 27.A O no hydrogen 2.999 N/A THR 55.A OG1 PRO 56.A O no hydrogen 3.349 N/A PHE 62.A N SER 58.A O no hydrogen 2.837 N/A ALA 63.A N GLU 59.A O no hydrogen 2.996 N/A GLY 64.A N MET 60.A O no hydrogen 2.960 N/A ILE 65.A N GLY 61.A O no hydrogen 2.878 N/A ALA 66.A N PHE 62.A O no hydrogen 2.954 N/A VAL 67.A N ALA 63.A O no hydrogen 2.928 N/A GLY 68.A N GLY 64.A O no hydrogen 2.885 N/A ALA 69.A N ILE 65.A O no hydrogen 3.028 N/A ALA 70.A N ALA 66.A O no hydrogen 3.125 N/A MET 71.A N VAL 67.A O no hydrogen 2.956 N/A ALA 72.A N GLY 68.A O no hydrogen 2.899 N/A GLY 73.A N ALA 70.A O no hydrogen 2.783 N/A LEU 74.A N ALA 69.A O no hydrogen 2.865 N/A ARG 75.A N LYS 22.A O no hydrogen 2.719 N/A ARG 75.A NH2 ILE 161.A O no hydrogen 3.024 N/A ILE 77.A N PHE 24.A O no hydrogen 2.727 N/A CYS 78.A N VAL 113.A O no hydrogen 2.611 N/A GLU 79.A N LEU 26.A O no hydrogen 2.952 N/A PHE 80.A N ARG 115.A O no hydrogen 2.820 N/A PHE 83.A N PRO 117.A O no hydrogen 2.940 N/A ASN 84.A ND2 THR 82.A OG1 no hydrogen 2.785 N/A PHE 85.A N THR 82.A O no hydrogen 2.953 N/A SER 86.A N PHE 83.A O no hydrogen 2.932 N/A SER 86.A OG PHE 83.A O no hydrogen 2.527 N/A SER 86.A OG TYR 136.A OH no hydrogen 2.731 N/A GLN 88.A N PHE 85.A O no hydrogen 3.244 N/A ALA 89.A N SER 86.A O no hydrogen 2.914 N/A ILE 90.A N MET 87.A O no hydrogen 3.415 N/A VAL 93.A N ALA 89.A O no hydrogen 3.341 N/A ILE 94.A N ILE 90.A O no hydrogen 2.880 N/A ASN 95.A N ASP 91.A O no hydrogen 2.745 N/A ASN 95.A ND2 ASP 91.A OD1 no hydrogen 2.979 N/A SER 96.A N ASP 91.A O no hydrogen 3.296 N/A SER 96.A N GLN 92.A O no hydrogen 3.263 N/A SER 96.A OG GLN 92.A OE1 no hydrogen 2.789 N/A ALA 98.A N VAL 93.A O no hydrogen 3.054 N/A LYS 99.A N ILE 94.A O no hydrogen 3.242 N/A LYS 99.A NZ ASN 95.A OD1 no hydrogen 2.923 N/A THR 100.A N ALA 97.A O no hydrogen 3.377 N/A THR 100.A OG1 SER 96.A O no hydrogen 2.663 N/A MET 103.A N LYS 99.A O no hydrogen 3.034 N/A SER 104.A N THR 100.A O no hydrogen 3.014 N/A SER 104.A OG THR 100.A O no hydrogen 2.901 N/A SER 104.A OG TYR 101.A O no hydrogen 2.961 N/A GLY 105.A N TYR 102.A O no hydrogen 2.836 N/A GLY 106.A N TYR 101.A O no hydrogen 2.889 N/A LEU 107.A N SER 104.A OG no hydrogen 3.247 N/A GLN 108.A N SER 104.A OG no hydrogen 2.909 N/A GLN 108.A NE2 MET 71.A O no hydrogen 2.949 N/A GLN 108.A NE2 PRO 109.A O no hydrogen 2.983 N/A ILE 112.A N VAL 110.A O no hydrogen 2.797 N/A VAL 113.A N PRO 76.A O no hydrogen 2.982 N/A PHE 114.A N VAL 167.A O no hydrogen 3.026 N/A ARG 115.A N CYS 78.A O no hydrogen 2.933 N/A ARG 115.A NE GLU 171.A OE2 no hydrogen 2.925 N/A ARG 115.A NH1 GLU 79.A OE1 no hydrogen 2.596 N/A ARG 115.A NH2 GLU 79.A OE1 no hydrogen 3.307 N/A ARG 115.A NH2 GLU 171.A OE1 no hydrogen 3.075 N/A ASN 118.A N GLU 171.A O no hydrogen 2.847 N/A GLY 119.A N GLN 130.A O no hydrogen 2.907 N/A SER 121.A OG GLU 173.A OE1 no hydrogen 2.488 N/A GLY 123.A N GLU 309.A OE1 no hydrogen 2.934 N/A GLY 123.A N GLU 309.A OE2 no hydrogen 3.117 N/A HIS 128.A N ALA 125.A O no hydrogen 3.248 N/A SER 129.A OG ALA 125.A O no hydrogen 2.667 N/A GLN 130.A N ASN 84.A OD1 no hydrogen 3.064 N/A CYS 131.A SG ASN 118.A OD1 no hydrogen 3.523 N/A TYR 136.A N PHE 132.A O no hydrogen 3.045 N/A TYR 136.A OH SER 86.A OG no hydrogen 2.731 N/A GLY 137.A N ALA 133.A O no hydrogen 2.855 N/A HIS 138.A N ALA 134.A O no hydrogen 3.065 N/A CYS 139.A N TYR 136.A O no hydrogen 3.005 N/A CYS 139.A SG TRP 135.A O no hydrogen 3.484 N/A LEU 142.A N CYS 139.A O no hydrogen 3.261 N/A LYS 143.A N PRO 166.A O no hydrogen 2.914 N/A LYS 143.A NZ ASP 163.A OD1 no hydrogen 3.533 N/A LYS 143.A NZ ASP 163.A OD2 no hydrogen 2.622 N/A VAL 144.A N ARG 242.A O no hydrogen 2.874 N/A VAL 145.A N VAL 168.A O no hydrogen 2.827 N/A SER 146.A N ARG 239.A O no hydrogen 2.667 N/A SER 146.A OG HIS 212.A ND1 no hydrogen 2.807 N/A TRP 148.A N ASP 152.A OD2 no hydrogen 2.727 N/A ASN 149.A N ASP 152.A OD2 no hydrogen 3.235 N/A SER 150.A OG VAL 3.A O no hydrogen 2.653 N/A ASP 152.A N ASN 149.A OD1 no hydrogen 2.829 N/A ALA 153.A N ASN 149.A O no hydrogen 3.016 N/A LYS 154.A N SER 150.A O no hydrogen 2.975 N/A LYS 154.A NZ GLN 11.A OE1 no hydrogen 2.756 N/A LYS 154.A NZ GLU 15.A OE2 no hydrogen 2.904 N/A LYS 154.A NZ ALA 186.A O no hydrogen 2.829 N/A LYS 154.A NZ SER 188.A O no hydrogen 3.423 N/A GLY 155.A N GLU 151.A O no hydrogen 3.065 N/A LEU 156.A N ASP 152.A O no hydrogen 2.954 N/A ILE 157.A N ALA 153.A O no hydrogen 3.130 N/A LYS 158.A N LYS 154.A O no hydrogen 2.975 N/A LYS 158.A NZ GLU 15.A OE1 no hydrogen 2.764 N/A LYS 158.A NZ GLU 16.A OE2 no hydrogen 2.786 N/A LYS 158.A NZ LYS 189.A O no hydrogen 2.803 N/A SER 159.A N GLY 155.A O no hydrogen 3.022 N/A SER 159.A OG GLY 155.A O no hydrogen 3.271 N/A SER 159.A OG ILE 193.A O no hydrogen 2.522 N/A ALA 160.A N LEU 156.A O no hydrogen 2.907 N/A ALA 160.A N ILE 157.A O no hydrogen 3.235 N/A ILE 161.A N ILE 157.A O no hydrogen 3.013 N/A ARG 162.A N LYS 158.A O no hydrogen 3.101 N/A ARG 162.A NE GLU 16.A OE1 no hydrogen 2.988 N/A ARG 162.A NH2 GLU 16.A OE2 no hydrogen 2.922 N/A ASP 163.A N ALA 160.A O no hydrogen 3.211 N/A ASN 165.A N ASP 163.A OD1 no hydrogen 2.878 N/A ASN 165.A ND2 ASP 163.A OD1 no hydrogen 2.963 N/A VAL 167.A N ILE 112.A O no hydrogen 3.082 N/A VAL 168.A N LYS 143.A O no hydrogen 2.669 N/A VAL 169.A N PHE 114.A O no hydrogen 2.807 N/A LEU 170.A N VAL 145.A O no hydrogen 2.890 N/A GLU 171.A N GLY 116.A O no hydrogen 2.940 N/A MET 175.A N ASN 172.A O no hydrogen 3.260 N/A TYR 176.A N GLU 173.A O no hydrogen 3.396 N/A TYR 176.A OH GLU 171.A OE1 no hydrogen 2.870 N/A VAL 178.A N MET 175.A O no hydrogen 2.954 N/A PHE 180.A N VAL 3.A O no hydrogen 3.130 N/A PHE 182.A N LEU 1.A O no hydrogen 2.697 N/A ALA 186.A N PRO 183.A O no hydrogen 2.949 N/A GLN 187.A N PRO 183.A O no hydrogen 3.099 N/A GLN 187.A NE2 PHE 182.A O no hydrogen 2.900 N/A SER 188.A N PRO 184.A O no hydrogen 3.275 N/A ASP 190.A N SER 188.A OG no hydrogen 2.922 N/A PHE 191.A N SER 188.A O no hydrogen 3.199 N/A ILE 193.A N GLY 155.A O no hydrogen 3.159 N/A GLY 196.A N THR 240.A OG1 no hydrogen 2.749 N/A ALA 198.A N ASP 245.A OD2 no hydrogen 2.829 N/A LYS 199.A N ASN 237.A O no hydrogen 2.852 N/A GLU 201.A N VAL 235.A O no hydrogen 2.707 N/A ARG 202.A N VAL 235.A O no hydrogen 3.333 N/A ARG 202.A NH1 GLU 232.A OE1 no hydrogen 3.031 N/A ARG 202.A NH1 CYS 233.A O no hydrogen 2.974 N/A ARG 202.A NH2 GLU 232.A OE1 no hydrogen 2.683 N/A GLY 204.A N GLU 234.A OE1 no hydrogen 3.209 N/A THR 205.A N GLU 232.A O no hydrogen 3.214 N/A HIS 206.A N GLU 232.A O no hydrogen 2.908 N/A THR 208.A N HIS 258.A O no hydrogen 2.748 N/A THR 208.A OG1 SER 252.A OG no hydrogen 2.730 N/A THR 208.A OG1 THR 256.A OG1 no hydrogen 2.907 N/A VAL 209.A N GLU 234.A O no hydrogen 2.998 N/A VAL 210.A N VAL 260.A O no hydrogen 2.876 N/A SER 211.A N ILE 236.A O no hydrogen 2.936 N/A SER 211.A OG VAL 262.A O no hydrogen 2.707 N/A HIS 212.A ND1 SER 146.A OG no hydrogen 2.807 N/A VAL 216.A N SER 213.A O no hydrogen 2.964 N/A GLY 217.A N ARG 214.A O no hydrogen 3.003 N/A CYS 219.A N PRO 215.A O no hydrogen 2.821 N/A CYS 219.A SG PRO 215.A O no hydrogen 3.375 N/A LEU 220.A N VAL 216.A O no hydrogen 2.981 N/A GLU 221.A N GLY 217.A O no hydrogen 2.901 N/A ALA 222.A N HIS 218.A O no hydrogen 2.980 N/A ALA 223.A N CYS 219.A O no hydrogen 2.991 N/A ALA 224.A N LEU 220.A O no hydrogen 3.156 N/A VAL 225.A N GLU 221.A O no hydrogen 3.083 N/A LEU 226.A N ALA 222.A O no hydrogen 2.814 N/A SER 227.A N ALA 223.A O no hydrogen 2.936 N/A SER 227.A OG ALA 224.A O no hydrogen 3.288 N/A GLU 229.A N LEU 226.A O no hydrogen 3.022 N/A GLY 230.A N SER 227.A O no hydrogen 2.920 N/A VAL 231.A N LEU 226.A O no hydrogen 3.309 N/A GLU 232.A N HIS 206.A ND1 no hydrogen 2.684 N/A GLU 234.A N ILE 207.A O no hydrogen 2.808 N/A VAL 235.A N ARG 202.A O no hydrogen 2.722 N/A ILE 236.A N VAL 209.A O no hydrogen 2.811 N/A ASN 237.A N LYS 199.A O no hydrogen 2.719 N/A MET 238.A N SER 211.A O no hydrogen 2.929 N/A ARG 239.A NE ASP 152.A OD1 no hydrogen 3.225 N/A ARG 239.A NH2 ASP 152.A OD1 no hydrogen 3.016 N/A THR 240.A N MET 238.A O no hydrogen 2.785 N/A ILE 241.A N VAL 144.A O no hydrogen 2.652 N/A ARG 242.A N VAL 144.A O no hydrogen 3.061 N/A ARG 242.A NH1 GLY 137.A O no hydrogen 2.745 N/A THR 248.A N ASP 245.A OD1 no hydrogen 3.005 N/A THR 248.A OG1 ASP 245.A OD1 no hydrogen 3.204 N/A THR 248.A OG1 ASP 245.A OD2 no hydrogen 2.551 N/A GLU 250.A N MET 246.A O no hydrogen 2.784 N/A ALA 251.A N GLU 247.A O no hydrogen 2.925 N/A SER 252.A N THR 248.A O no hydrogen 3.216 N/A SER 252.A OG THR 208.A OG1 no hydrogen 2.730 N/A SER 252.A OG GLU 234.A OE2 no hydrogen 2.410 N/A VAL 253.A N ILE 249.A O no hydrogen 3.027 N/A MET 254.A N GLU 250.A O no hydrogen 2.848 N/A LYS 255.A N ALA 251.A O no hydrogen 3.286 N/A LYS 255.A N SER 252.A O no hydrogen 2.975 N/A LYS 255.A NZ GLY 204.A O no hydrogen 3.100 N/A LYS 255.A NZ GLU 234.A OE2 no hydrogen 3.192 N/A THR 256.A N SER 252.A O no hydrogen 2.917 N/A THR 256.A OG1 THR 208.A OG1 no hydrogen 2.907 N/A THR 256.A OG1 SER 252.A O no hydrogen 3.453 N/A THR 256.A OG1 HIS 258.A O no hydrogen 3.168 N/A ASN 257.A N VAL 253.A O no hydrogen 2.688 N/A HIS 258.A N THR 256.A OG1 no hydrogen 3.353 N/A HIS 258.A ND1 THR 256.A O no hydrogen 3.024 N/A VAL 260.A N THR 208.A O no hydrogen 2.849 N/A THR 261.A N VAL 293.A O no hydrogen 2.983 N/A VAL 262.A N VAL 210.A O no hydrogen 2.742 N/A GLU 263.A N VAL 295.A O no hydrogen 2.966 N/A TRP 266.A NE1 VAL 300.A O no hydrogen 2.820 N/A GLN 268.A NE2 ASP 299.A OD2 no hydrogen 2.777 N/A GLY 270.A N PRO 267.A O no hydrogen 3.216 N/A VAL 271.A N GLU 263.A OE1 no hydrogen 2.935 N/A GLY 272.A N GLU 263.A OE2 no hydrogen 2.847 N/A ALA 273.A N GLY 270.A O no hydrogen 3.250 N/A GLU 274.A N VAL 271.A O no hydrogen 3.099 N/A ILE 275.A N VAL 271.A O no hydrogen 3.214 N/A CYS 276.A N GLY 272.A O no hydrogen 2.853 N/A CYS 276.A SG GLY 272.A O no hydrogen 3.250 N/A ALA 277.A N ALA 273.A O no hydrogen 3.067 N/A ARG 278.A N GLU 274.A O no hydrogen 2.915 N/A ARG 278.A NH1 GLU 274.A OE2 no hydrogen 3.056 N/A ILE 279.A N ILE 275.A O no hydrogen 2.978 N/A MET 280.A N CYS 276.A O no hydrogen 3.099 N/A GLU 281.A N ALA 277.A O no hydrogen 2.987 N/A GLU 281.A N ARG 278.A O no hydrogen 3.139 N/A GLY 282.A N ARG 278.A O no hydrogen 2.947 N/A GLY 282.A N ILE 279.A O no hydrogen 3.371 N/A PHE 285.A N GLY 282.A O no hydrogen 3.455 N/A PHE 287.A N ALA 284.A O no hydrogen 2.867 N/A LEU 288.A N PHE 285.A O no hydrogen 3.244 N/A ASP 289.A N ASN 257.A O no hydrogen 2.703 N/A VAL 293.A N LEU 259.A O no hydrogen 2.943 N/A VAL 295.A N THR 261.A O no hydrogen 2.771 N/A THR 296.A OG1 GLY 297.A O no hydrogen 2.818 N/A GLY 297.A N GLY 265.A O no hydrogen 3.080 N/A ALA 298.A N SER 312.A O no hydrogen 2.923 N/A LYS 306.A NZ ASP 310.A OD1 no hydrogen 3.418 N/A LYS 306.A NZ ASP 310.A OD2 no hydrogen 3.558 N/A GLU 309.A N ALA 305.A O no hydrogen 2.805 N/A ASP 310.A N LYS 306.A O no hydrogen 2.824 N/A ASN 311.A N ILE 307.A O no hydrogen 3.276 N/A ASN 311.A N LEU 308.A O no hydrogen 3.141 N/A ASN 311.A ND2 ILE 307.A O no hydrogen 2.962 N/A SER 312.A N GLU 309.A O no hydrogen 2.889 N/A SER 312.A OG LEU 308.A O no hydrogen 2.821 N/A GLN 315.A N ASP 318.A OD2 no hydrogen 2.680 N/A GLN 315.A NE2 ASP 310.A O no hydrogen 2.646 N/A ASP 318.A N GLN 315.A O no hydrogen 2.707 N/A ILE 319.A N GLN 315.A O no hydrogen 3.194 N/A ILE 319.A N VAL 316.A O no hydrogen 3.150 N/A ILE 320.A N VAL 316.A O no hydrogen 3.063 N/A PHE 321.A N LYS 317.A O no hydrogen 2.980 N/A ALA 322.A N ASP 318.A O no hydrogen 3.186 N/A ILE 323.A N ILE 319.A O no hydrogen 2.933 N/A LYS 324.A N ILE 320.A O no hydrogen 2.895 N/A LYS 324.A NZ GLU 229.A OE1 no hydrogen 2.661 N/A LYS 324.A NZ GLU 229.A OE2 no hydrogen 3.444 N/A LYS 325.A N PHE 321.A O no hydrogen 3.007 N/A THR 326.A N ALA 322.A O no hydrogen 2.993 N/A THR 326.A OG1 ALA 322.A O no hydrogen 2.877 N/A LEU 327.A N ILE 323.A O no hydrogen 2.895 N/A ASN 328.A N LYS 325.A O no hydrogen 3.218 N/A ILE 329.A N LYS 324.A O no hydrogen 2.906 N/A