Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jbi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N ALA 21.A O no hydrogen 2.804 N/A ARG 4.A N GLU 125.A OE1 no hydrogen 2.740 N/A ARG 4.A NE GLU 125.A OE2 no hydrogen 3.258 N/A ALA 5.A N VAL 19.A O no hydrogen 3.082 N/A ALA 6.A N TYR 123.A O no hydrogen 2.975 N/A ALA 7.A N LYS 17.A O no hydrogen 2.912 N/A PHE 8.A N HIS 59.A O no hydrogen 3.029 N/A GLY 12.A N VAL 48.A O no hydrogen 2.723 N/A GLU 14.A N GLU 14.A OE2 no hydrogen 3.062 N/A ASN 15.A N GLY 12.A O no hydrogen 2.735 N/A ASN 15.A ND2 THR 10.A O no hydrogen 3.652 N/A ASN 15.A ND2 PRO 11.A O no hydrogen 2.592 N/A LEU 16.A N LEU 13.A O no hydrogen 3.455 N/A LYS 17.A N ALA 7.A O no hydrogen 2.849 N/A VAL 19.A N ALA 5.A O no hydrogen 2.782 N/A ALA 21.A N MET 3.A O no hydrogen 2.679 N/A THR 23.A N HIS 1.A O no hydrogen 3.101 N/A GLY 27.A N GLU 30.A OE1 no hydrogen 2.702 N/A GLY 29.A N PRO 74.A O no hydrogen 3.335 N/A GLU 30.A N GLY 27.A O no hydrogen 3.095 N/A VAL 31.A N VAL 129.A O no hydrogen 2.992 N/A LEU 32.A N GLU 71.A O no hydrogen 2.860 N/A ILE 33.A N ALA 127.A O no hydrogen 2.752 N/A ARG 34.A N VAL 68.A O no hydrogen 2.823 N/A ARG 34.A NE GLU 70.A OE1 no hydrogen 3.287 N/A VAL 35.A N GLU 125.A O no hydrogen 3.005 N/A LYS 36.A N ALA 66.A O no hydrogen 2.803 N/A TYR 37.A N ALA 66.A O no hydrogen 3.022 N/A ALA 38.A N ILE 331.A O no hydrogen 2.892 N/A GLY 39.A N GLU 64.A O no hydrogen 2.756 N/A VAL 40.A N VAL 329.A O no hydrogen 2.915 N/A ASN 41.A N ASP 44.A OD2 no hydrogen 2.903 N/A ASN 41.A ND2 ASP 44.A OD2 no hydrogen 3.138 N/A ASN 41.A ND2 GLU 64.A OE1 no hydrogen 2.810 N/A TYR 45.A N ASN 41.A O no hydrogen 2.985 N/A ASN 46.A N PRO 42.A O no hydrogen 2.845 N/A ASN 46.A N LEU 43.A O no hydrogen 3.241 N/A VAL 47.A N LEU 43.A O no hydrogen 3.030 N/A VAL 48.A N ASP 44.A O no hydrogen 3.056 N/A ALA 49.A N TYR 45.A O no hydrogen 2.972 N/A GLY 50.A N VAL 47.A O no hydrogen 3.313 N/A VAL 52.A N ASN 46.A O no hydrogen 3.313 N/A SER 55.A N ILE 117.A O no hydrogen 2.896 N/A HIS 59.A N PHE 8.A O no hydrogen 2.886 N/A HIS 59.A ND1 PRO 56.A O no hydrogen 2.810 N/A HIS 59.A NE2 GLY 116.A O no hydrogen 2.729 N/A ILE 60.A N GLN 120.A OE1 no hydrogen 2.856 N/A SER 63.A N ASP 44.A OD1 no hydrogen 3.097 N/A SER 63.A OG ILE 115.A O no hydrogen 2.675 N/A ALA 66.A N TYR 37.A O no hydrogen 2.859 N/A GLY 67.A N VAL 85.A O no hydrogen 2.889 N/A VAL 68.A N ARG 34.A O no hydrogen 3.046 N/A VAL 69.A N ASP 83.A O no hydrogen 2.864 N/A GLU 70.A N LEU 32.A O no hydrogen 2.759 N/A GLU 71.A N LEU 32.A O no hydrogen 3.468 N/A GLY 73.A N GLU 30.A O no hydrogen 2.750 N/A VAL 76.A N GLY 73.A O no hydrogen 3.152 N/A SER 80.A N ASP 83.A OD2 no hydrogen 2.877 N/A SER 80.A OG ASP 83.A OD2 no hydrogen 3.438 N/A ARG 81.A NE GLU 70.A O no hydrogen 3.010 N/A GLY 82.A N VAL 69.A O no hydrogen 2.739 N/A ASP 83.A N SER 80.A O no hydrogen 3.052 N/A VAL 85.A N GLY 67.A O no hydrogen 2.580 N/A VAL 86.A N VAL 135.A O no hydrogen 2.844 N/A VAL 87.A N PHE 65.A O no hydrogen 3.333 N/A TYR 88.A N ASN 133.A O no hydrogen 2.839 N/A TYR 88.A OH THR 104.A OG1 no hydrogen 2.813 N/A TYR 88.A OH GLY 283.A O no hydrogen 2.614 N/A ASN 89.A ND2 SER 63.A O no hydrogen 3.333 N/A ARG 90.A NH1 GLY 112.A O no hydrogen 3.246 N/A LEU 91.A N GLY 113.A O no hydrogen 3.024 N/A TYR 92.A OH LYS 132.A O no hydrogen 3.269 N/A LEU 100.A N CYS 96.A O no hydrogen 2.829 N/A THR 101.A N ARG 97.A O no hydrogen 3.169 N/A THR 101.A N GLN 98.A O no hydrogen 3.253 N/A THR 101.A OG1 ARG 97.A O no hydrogen 2.992 N/A THR 101.A OG1 GLN 98.A O no hydrogen 3.133 N/A GLY 102.A N CYS 99.A O no hydrogen 2.956 N/A THR 104.A N GLY 102.A O no hydrogen 2.875 N/A THR 104.A OG1 TYR 88.A OH no hydrogen 2.813 N/A GLN 105.A N GLN 105.A OE1 no hydrogen 2.845 N/A GLN 105.A NE2 ASN 156.A OD1 no hydrogen 3.287 N/A GLN 105.A NE2 THR 281.A O no hydrogen 3.119 N/A MET 106.A N TRP 103.A O no hydrogen 2.839 N/A CYS 107.A N THR 104.A O no hydrogen 3.323 N/A THR 110.A OG1 LEU 91.A O no hydrogen 2.560 N/A GLY 113.A N THR 110.A O no hydrogen 3.114 N/A ILE 115.A N ASN 89.A O no hydrogen 2.870 N/A GLY 116.A N THR 119.A OG1 no hydrogen 2.989 N/A ILE 117.A N ILE 114.A O no hydrogen 2.815 N/A VAL 118.A N ILE 114.A O no hydrogen 3.057 N/A THR 119.A OG1 GLN 120.A O no hydrogen 3.441 N/A GLN 120.A NE2 PRO 58.A O no hydrogen 3.144 N/A GLY 121.A N ILE 60.A O no hydrogen 2.888 N/A GLY 122.A N GLY 62.A O no hydrogen 2.948 N/A TYR 123.A N PRO 61.A O no hydrogen 3.139 N/A TYR 123.A OH GLY 39.A O no hydrogen 2.712 N/A GLU 125.A N ARG 4.A O no hydrogen 3.147 N/A ALA 127.A N ILE 33.A O no hydrogen 3.019 N/A VAL 129.A N VAL 31.A O no hydrogen 3.123 N/A ALA 131.A N GLY 29.A O no hydrogen 2.754 N/A LYS 132.A NZ TYR 92.A O no hydrogen 2.830 N/A ASN 133.A N PRO 130.A O no hydrogen 2.910 N/A ALA 134.A N ALA 131.A O no hydrogen 3.081 N/A VAL 135.A N VAL 86.A O no hydrogen 2.804 N/A THR 137.A N PRO 84.A O no hydrogen 3.036 N/A THR 137.A OG1 GLU 296.A OE2 no hydrogen 2.649 N/A ARG 138.A N GLU 296.A OE2 no hydrogen 3.027 N/A ARG 138.A NH1 GLU 296.A O no hydrogen 3.449 N/A ALA 139.A N THR 137.A OG1 no hydrogen 3.033 N/A ALA 144.A N ASP 140.A O no hydrogen 2.965 N/A ALA 145.A N LEU 141.A O no hydrogen 3.179 N/A ALA 145.A N LYS 142.A O no hydrogen 3.282 N/A THR 146.A N GLU 143.A O no hydrogen 3.219 N/A THR 146.A OG1 GLU 143.A O no hydrogen 2.826 N/A THR 146.A OG1 TYR 181.A OH no hydrogen 2.766 N/A LEU 147.A N ALA 144.A O no hydrogen 2.918 N/A ILE 149.A N GLU 64.A OE2 no hydrogen 3.022 N/A GLY 150.A N GLU 64.A OE2 no hydrogen 3.244 N/A ALA 151.A N THR 146.A O no hydrogen 3.206 N/A LEU 152.A N LEU 147.A O no hydrogen 2.999 N/A THR 153.A N ILE 149.A O no hydrogen 3.182 N/A THR 153.A OG1 ILE 149.A O no hydrogen 2.630 N/A ALA 154.A N GLY 150.A O no hydrogen 3.146 N/A TRP 155.A N ALA 151.A O no hydrogen 2.762 N/A ASN 156.A N LEU 152.A O no hydrogen 2.979 N/A MET 157.A N THR 153.A O no hydrogen 2.995 N/A ALA 158.A N ALA 154.A O no hydrogen 2.971 N/A TYR 159.A N TRP 155.A O no hydrogen 2.845 N/A ARG 160.A N ASN 156.A O no hydrogen 2.917 N/A ARG 160.A NE GLY 279.A O no hydrogen 2.810 N/A ARG 160.A NH2 GLY 279.A O no hydrogen 2.989 N/A ALA 161.A N ALA 158.A O no hydrogen 3.247 N/A SER 164.A N GLU 167.A OE1 no hydrogen 3.096 N/A GLY 166.A N GLY 190.A O no hydrogen 2.947 N/A GLU 167.A N SER 164.A O no hydrogen 3.051 N/A LYS 168.A N ASP 228.A OD2 no hydrogen 2.974 N/A LYS 168.A NZ TYR 194.A OH no hydrogen 3.490 N/A LYS 168.A NZ ALA 224.A O no hydrogen 3.112 N/A VAL 169.A N GLU 192.A O no hydrogen 2.839 N/A ALA 170.A N VAL 229.A O no hydrogen 2.910 N/A VAL 171.A N TYR 194.A O no hydrogen 3.008 N/A VAL 172.A N LEU 231.A O no hydrogen 2.950 N/A GLY 176.A N GLY 173.A O no hydrogen 3.029 N/A ILE 180.A N GLY 176.A O no hydrogen 3.071 N/A TYR 181.A OH THR 146.A OG1 no hydrogen 2.766 N/A TYR 181.A OH LYS 301.A O no hydrogen 3.379 N/A ALA 182.A N VAL 178.A O no hydrogen 2.801 N/A VAL 183.A N GLY 179.A O no hydrogen 2.770 N/A GLN 184.A NE2 ILE 180.A O no hydrogen 3.275 N/A GLN 184.A NE2 LYS 301.A O no hydrogen 2.971 N/A PHE 185.A N TYR 181.A O no hydrogen 2.880 N/A ALA 186.A N ALA 182.A O no hydrogen 2.966 N/A LYS 187.A N VAL 183.A O no hydrogen 3.164 N/A LYS 187.A NZ GLY 211.A O no hydrogen 2.764 N/A LYS 187.A NZ ASP 213.A OD1 no hydrogen 2.839 N/A LEU 188.A N GLN 184.A O no hydrogen 2.835 N/A LEU 189.A N PHE 185.A O no hydrogen 3.067 N/A GLY 190.A N LYS 187.A O no hydrogen 2.881 N/A GLY 191.A N ALA 186.A O no hydrogen 3.003 N/A GLU 192.A N GLU 167.A O no hydrogen 2.984 N/A VAL 193.A N ASP 213.A OD2 no hydrogen 2.954 N/A TYR 194.A N VAL 169.A O no hydrogen 2.826 N/A TYR 194.A OH GLU 192.A OE1 no hydrogen 2.643 N/A ALA 195.A N ALA 214.A O no hydrogen 2.828 N/A ILE 196.A N VAL 171.A O no hydrogen 2.796 N/A SER 197.A N LEU 216.A O no hydrogen 2.987 N/A ARG 199.A N SER 197.A OG no hydrogen 3.113 N/A ARG 199.A NH1 PRO 323.A O no hydrogen 2.906 N/A ARG 199.A NH1 ARG 325.A O no hydrogen 2.926 N/A ARG 199.A NH2 THR 175.A OG1 no hydrogen 3.107 N/A ARG 199.A NH2 ARG 325.A O no hydrogen 2.919 N/A LYS 200.A NZ VAL 215.A O no hydrogen 2.877 N/A LYS 200.A NZ GLU 220.A OE1 no hydrogen 2.716 N/A LYS 200.A NZ GLU 220.A OE2 no hydrogen 3.223 N/A LYS 202.A NZ PRO 323.A O no hydrogen 3.372 N/A LYS 202.A NZ GLU 324.A OE1 no hydrogen 2.855 N/A VAL 203.A N ARG 199.A O no hydrogen 3.272 N/A VAL 203.A N LYS 200.A O no hydrogen 3.238 N/A LEU 207.A N VAL 203.A O no hydrogen 3.078 N/A LYS 208.A N GLU 204.A O no hydrogen 3.010 N/A SER 209.A N SER 205.A O no hydrogen 3.018 N/A SER 209.A OG ILE 206.A O no hydrogen 3.026 N/A ALA 210.A N ILE 206.A O no hydrogen 2.837 N/A GLY 211.A N LYS 208.A O no hydrogen 2.884 N/A ALA 212.A N LEU 207.A O no hydrogen 2.844 N/A ASP 213.A N VAL 193.A O no hydrogen 2.900 N/A ALA 214.A N VAL 193.A O no hydrogen 3.326 N/A LEU 216.A N ALA 195.A O no hydrogen 2.847 N/A THR 217.A N GLU 220.A OE1 no hydrogen 3.022 N/A GLU 220.A N THR 217.A OG1 no hydrogen 2.979 N/A ALA 221.A N THR 217.A O no hydrogen 2.882 N/A LYS 222.A N PRO 218.A O no hydrogen 3.229 N/A ALA 224.A N GLU 220.A O no hydrogen 3.020 N/A ALA 225.A N ALA 221.A O no hydrogen 3.130 N/A ALA 225.A N LYS 222.A O no hydrogen 3.378 N/A PHE 227.A N VAL 245.A O no hydrogen 2.918 N/A ASP 228.A N LYS 168.A O no hydrogen 2.879 N/A VAL 229.A N LYS 168.A O no hydrogen 3.220 N/A VAL 230.A N ARG 251.A O no hydrogen 2.804 N/A LEU 231.A N ALA 170.A O no hydrogen 2.865 N/A ASP 232.A N VAL 253.A O no hydrogen 2.868 N/A THR 234.A N ASP 232.A OD1 no hydrogen 2.980 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.652 N/A THR 234.A OG1 SER 238.A OG no hydrogen 2.816 N/A SER 236.A N GLY 260.A O no hydrogen 2.807 N/A SER 236.A OG THR 259.A O no hydrogen 3.326 N/A ALA 237.A N THR 259.A OG1 no hydrogen 2.854 N/A SER 238.A N GLY 235.A O no hydrogen 3.149 N/A SER 238.A OG THR 234.A OG1 no hydrogen 2.816 N/A TRP 239.A N SER 236.A O no hydrogen 3.079 N/A SER 242.A N SER 238.A O no hydrogen 2.873 N/A SER 242.A OG ASP 232.A OD2 no hydrogen 2.566 N/A SER 242.A OG SER 238.A O no hydrogen 3.347 N/A PHE 243.A N TRP 239.A O no hydrogen 2.761 N/A GLY 244.A N ASP 240.A O no hydrogen 3.052 N/A VAL 245.A N LEU 241.A O no hydrogen 2.991 N/A GLY 247.A N PHE 227.A O no hydrogen 2.936 N/A GLY 249.A N MET 273.A O no hydrogen 2.943 N/A GLY 250.A N GLY 247.A O no hydrogen 2.912 N/A ARG 251.A N ASP 228.A O no hydrogen 2.986 N/A ARG 251.A NE GLY 249.A O no hydrogen 2.996 N/A ARG 251.A NH1 ALA 161.A O no hydrogen 3.182 N/A ARG 251.A NH1 GLU 167.A OE1 no hydrogen 2.787 N/A ARG 251.A NH1 GLU 167.A OE2 no hydrogen 3.517 N/A ARG 251.A NH2 GLU 167.A OE1 no hydrogen 3.290 N/A ARG 251.A NH2 GLU 167.A OE2 no hydrogen 2.906 N/A ARG 251.A NH2 GLY 249.A O no hydrogen 3.505 N/A TYR 252.A N LEU 276.A O no hydrogen 2.893 N/A VAL 253.A N VAL 230.A O no hydrogen 2.793 N/A THR 254.A N ILE 278.A O no hydrogen 2.983 N/A THR 254.A OG1 ASP 232.A O no hydrogen 3.323 N/A THR 254.A OG1 GLY 256.A O no hydrogen 2.911 N/A GLY 256.A N THR 254.A OG1 no hydrogen 2.963 N/A THR 259.A N THR 234.A O no hydrogen 2.718 N/A THR 259.A OG1 THR 234.A O no hydrogen 2.739 N/A GLY 260.A N ALA 257.A O no hydrogen 2.870 N/A ARG 268.A N ASP 266.A OD1 no hydrogen 2.974 N/A ARG 269.A NH2 PHE 243.A O no hydrogen 2.864 N/A ARG 269.A NH2 LEU 246.A O no hydrogen 3.143 N/A LEU 270.A N ASP 266.A O no hydrogen 2.947 N/A TYR 271.A N LEU 267.A O no hydrogen 2.983 N/A GLY 272.A N ARG 268.A O no hydrogen 2.856 N/A MET 273.A N ARG 269.A O no hydrogen 3.024 N/A GLN 274.A N TYR 271.A O no hydrogen 3.175 N/A ILE 275.A N LEU 270.A O no hydrogen 2.962 N/A LEU 276.A N GLY 250.A O no hydrogen 2.867 N/A ILE 278.A N TYR 252.A O no hydrogen 2.810 N/A ALA 280.A N THR 254.A O no hydrogen 2.790 N/A ARG 284.A NE ASP 287.A OD2 no hydrogen 2.909 N/A ARG 284.A NH2 ASP 287.A OD1 no hydrogen 2.837 N/A ARG 285.A N THR 104.A OG1 no hydrogen 3.067 N/A ARG 285.A NE TYR 92.A OH no hydrogen 3.133 N/A ARG 285.A NE LYS 132.A O no hydrogen 3.164 N/A ARG 285.A NH1 ARG 285.A O no hydrogen 3.211 N/A ARG 285.A NH1 ASN 289.A OD1 no hydrogen 2.765 N/A ARG 285.A NH2 LYS 132.A O no hydrogen 2.737 N/A PHE 288.A N ARG 284.A O no hydrogen 2.978 N/A ASN 289.A N ARG 285.A O no hydrogen 3.393 N/A THR 290.A N ALA 286.A O no hydrogen 3.314 N/A THR 290.A OG1 ALA 286.A O no hydrogen 3.170 N/A VAL 291.A N ASP 287.A O no hydrogen 2.941 N/A VAL 292.A N PHE 288.A O no hydrogen 2.964 N/A ARG 293.A N ASN 289.A O no hydrogen 2.981 N/A LEU 294.A N THR 290.A O no hydrogen 2.839 N/A LEU 295.A N VAL 291.A O no hydrogen 3.046 N/A GLU 296.A N VAL 292.A O no hydrogen 3.003 N/A ALA 297.A N ARG 293.A O no hydrogen 2.917 N/A GLY 298.A N LEU 295.A O no hydrogen 2.880 N/A ARG 299.A N LEU 294.A O no hydrogen 2.907 N/A LYS 301.A N GLN 184.A OE1 no hydrogen 2.839 N/A LYS 301.A NZ SER 209.A O no hydrogen 2.903 N/A HIS 305.A N LYS 328.A O no hydrogen 2.837 N/A HIS 305.A NE2 GLU 319.A OE2 no hydrogen 3.025 N/A TYR 308.A N LEU 330.A O no hydrogen 2.789 N/A ASP 312.A N PRO 309.A O no hydrogen 2.866 N/A VAL 313.A N LEU 310.A O no hydrogen 3.246 N/A ALA 316.A N ASP 312.A O no hydrogen 2.864 N/A LEU 317.A N VAL 313.A O no hydrogen 2.792 N/A GLU 318.A N ARG 314.A O no hydrogen 2.942 N/A GLU 319.A N LYS 315.A O no hydrogen 3.077 N/A LEU 320.A N LEU 317.A O no hydrogen 3.169 N/A ARG 321.A N GLU 318.A O no hydrogen 2.810 N/A SER 322.A N GLU 319.A O no hydrogen 3.226 N/A GLU 324.A N SER 322.A OG no hydrogen 3.284 N/A ARG 325.A N SER 322.A O no hydrogen 2.916 N/A ARG 325.A NE LEU 320.A O no hydrogen 3.508 N/A ARG 325.A NH1 GLY 327.A O no hydrogen 3.413 N/A ARG 325.A NH2 LEU 320.A O no hydrogen 3.154 N/A LYS 328.A N PHE 303.A O no hydrogen 2.821 N/A LYS 328.A NZ ASN 41.A OD1 no hydrogen 2.684 N/A LYS 328.A NZ GLU 64.A OE1 no hydrogen 2.650 N/A LYS 328.A NZ GLU 64.A OE2 no hydrogen 3.340 N/A LEU 330.A N ASN 306.A O no hydrogen 2.824 N/A ILE 331.A N ALA 38.A O no hydrogen 2.761 N/A ALA 332.A N TYR 308.A O no hydrogen 2.809 N/A