Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r8l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ARG 64.A O no hydrogen 2.974 N/A ARG 2.A NH1 GLY 158.A O no hydrogen 3.285 N/A HIS 3.A N GLN 101.A OE1 no hydrogen 2.799 N/A HIS 3.A NE2.A THR 68.A OG1 no hydrogen 3.055 N/A LEU 4.A N LEU 66.A O no hydrogen 2.847 N/A LEU 5.A N GLY 102.A O no hydrogen 3.128 N/A LEU 6.A N THR 68.A O no hydrogen 2.745 N/A ILE 7.A N VAL 104.A O no hydrogen 2.781 N/A TYR 8.A N LEU 70.A O no hydrogen 2.965 N/A TYR 8.A OH GLY 25.A O no hydrogen 2.816 N/A THR 9.A N ILE 106.A O no hydrogen 3.163 N/A THR 9.A OG1 ILE 106.A O no hydrogen 2.797 N/A GLY 11.A N LEU 76.A O no hydrogen 3.141 N/A GLY 14.A N GLY 11.A O no hydrogen 3.320 N/A MET 15.A N THR 12.A O no hydrogen 2.928 N/A GLN 16.A N VAL 23.A O no hydrogen 3.026 N/A LYS 18.A N VAL 21.A O no hydrogen 3.016 N/A VAL 23.A N GLN 16.A O no hydrogen 3.111 N/A GLY 27.A N GLU 71.A OE1 no hydrogen 2.839 N/A LEU 28.A N GLU 71.A OE2 no hydrogen 3.204 N/A LEU 32.A N LEU 28.A O no hydrogen 3.017 N/A ARG 33.A N VAL 29.A O no hydrogen 3.126 N/A ARG 33.A NE ASP 51.A O no hydrogen 3.545 N/A ARG 33.A NH2 ASP 51.A O no hydrogen 3.350 N/A THR 34.A N LEU 31.A O no hydrogen 2.901 N/A THR 34.A OG1 LEU 31.A O no hydrogen 2.875 N/A LEU 35.A N LEU 32.A O no hydrogen 3.016 N/A PHE 38.A N LEU 35.A O no hydrogen 2.991 N/A HIS 39.A N LEU 35.A O no hydrogen 2.955 N/A ASP 40.A N ALA 55.A O no hydrogen 2.827 N/A PHE 43.A N ASP 40.A OD1 no hydrogen 3.098 N/A ALA 44.A N ASP 40.A O no hydrogen 3.068 N/A GLN 45.A N LYS 41.A O no hydrogen 2.863 N/A ALA 46.A N GLU 42.A O no hydrogen 3.056 N/A GLN 47.A N ALA 44.A O no hydrogen 3.332 N/A GLY 48.A N GLN 45.A O no hydrogen 2.982 N/A LEU 49.A N ALA 44.A O no hydrogen 2.932 N/A ALA 53.A N PRO 50.A O no hydrogen 3.453 N/A LEU 54.A N TYR 67.A O no hydrogen 2.931 N/A ALA 55.A N HIS 39.A ND1 no hydrogen 3.269 N/A LEU 56.A N VAL 65.A O no hydrogen 2.977 N/A ARG 64.A NE LEU 56.A O no hydrogen 3.214 N/A LEU 66.A N ARG 2.A O no hydrogen 2.887 N/A TYR 67.A N LEU 54.A O no hydrogen 2.972 N/A TYR 67.A OH PHE 38.A O no hydrogen 2.731 N/A THR 68.A N LEU 4.A O no hydrogen 2.897 N/A THR 68.A OG1 HIS 3.A NE2.A no hydrogen 3.055 N/A LEU 70.A N LEU 6.A O no hydrogen 2.795 N/A CYS 72.A N TYR 8.A O no hydrogen 3.121 N/A CYS 72.A SG TYR 8.A O no hydrogen 3.639 N/A LEU 76.A N THR 9.A O no hydrogen 2.970 N/A SER 78.A OG THR 111.A OG1 no hydrogen 3.226 N/A SER 79.A N ASP 77.A OD1 no hydrogen 3.174 N/A SER 79.A OG ASP 77.A OD1 no hydrogen 3.294 N/A SER 79.A OG ASP 110.A OD2 no hydrogen 2.831 N/A ASP 80.A N ASP 77.A O no hydrogen 2.958 N/A MET 81.A N SER 78.A O no hydrogen 3.086 N/A THR 82.A N ASP 85.A OD2 no hydrogen 3.054 N/A THR 82.A OG1 ASP 85.A OD2 no hydrogen 3.290 N/A TRP 86.A N THR 82.A O no hydrogen 3.280 N/A TRP 86.A NE1 HIS 107.A NE2 no hydrogen 3.183 N/A ILE 87.A N ILE 83.A O no hydrogen 2.929 N/A ARG 88.A N ASP 84.A O no hydrogen 2.998 N/A ARG 88.A NH2 ASP 85.A OD1 no hydrogen 2.738 N/A ILE 89.A N ASP 85.A O no hydrogen 3.177 N/A ALA 90.A N TRP 86.A O no hydrogen 3.066 N/A LYS 91.A N ILE 87.A O no hydrogen 2.850 N/A ILE 92.A N ARG 88.A O no hydrogen 3.004 N/A ILE 93.A N ILE 89.A O no hydrogen 3.114 N/A GLU 94.A N ALA 90.A O no hydrogen 2.914 N/A ARG 95.A N LYS 91.A O no hydrogen 2.946 N/A HIS 96.A N ILE 92.A O no hydrogen 3.251 N/A HIS 96.A ND1 ILE 92.A O no hydrogen 3.110 N/A TYR 97.A N GLU 94.A O no hydrogen 3.266 N/A TYR 97.A OH HIS 127.A ND1 no hydrogen 2.633 N/A GLN 101.A N HIS 3.A O no hydrogen 2.802 N/A PHE 103.A N PRO 129.A O no hydrogen 2.854 N/A VAL 104.A N LEU 5.A O no hydrogen 3.023 N/A VAL 105.A N ILE 131.A O no hydrogen 2.815 N/A ILE 106.A N ILE 7.A O no hydrogen 2.882 N/A HIS 107.A N THR 133.A O no hydrogen 2.931 N/A HIS 107.A ND1 GLY 108.A O no hydrogen 2.702 N/A THR 111.A N SER 78.A OG no hydrogen 2.981 N/A THR 111.A OG1 SER 78.A O no hydrogen 2.666 N/A MET 112.A N THR 109.A O no hydrogen 3.275 N/A GLY 115.A N THR 111.A O no hydrogen 3.011 N/A ALA 116.A N MET 112.A O no hydrogen 2.843 N/A SER 117.A N ALA 113.A O no hydrogen 3.006 N/A SER 117.A OG ALA 113.A O no hydrogen 2.986 N/A MET 118.A N SER 114.A O no hydrogen 2.920 N/A LEU 119.A N GLY 115.A O no hydrogen 3.007 N/A SER 120.A N ALA 116.A O no hydrogen 2.988 N/A PHE 121.A N SER 117.A O no hydrogen 3.301 N/A MET 122.A N MET 118.A O no hydrogen 2.922 N/A LEU 123.A N LEU 119.A O no hydrogen 2.930 N/A GLU 124.A N VAL 222.A O no hydrogen 3.011 N/A ASN 125.A ND2 PRO 220.A O no hydrogen 2.978 N/A HIS 127.A N TYR 97.A OH no hydrogen 2.918 N/A HIS 127.A ND1 TYR 97.A OH no hydrogen 2.633 N/A HIS 127.A NE2 ASP 219.A O no hydrogen 2.856 N/A LYS 128.A NZ TYR 97.A O no hydrogen 2.625 N/A LYS 128.A NZ TYR 100.A O no hydrogen 2.913 N/A VAL 130.A N GLU 164.A O no hydrogen 3.281 N/A ILE 131.A N PHE 103.A O no hydrogen 2.815 N/A LEU 132.A N CYS 166.A O no hydrogen 2.846 N/A THR 133.A N VAL 105.A O no hydrogen 3.025 N/A THR 133.A OG1 ASN 149.A O no hydrogen 3.526 N/A THR 133.A OG1 PHE 168.A O no hydrogen 2.799 N/A GLN 136.A N ASP 145.A OD2 no hydrogen 2.937 N/A GLN 136.A NE2 ASP 183.A O no hydrogen 3.357 N/A GLN 136.A NE2 LYS 186.A O no hydrogen 2.995 N/A VAL 137.A N ASP 145.A OD1 no hydrogen 3.035 N/A ILE 139.A N LEU 13.A O no hydrogen 2.903 N/A VAL 141.A N PRO 138.A O no hydrogen 3.129 N/A ASN 144.A ND2 VAL 141.A O no hydrogen 2.651 N/A ASP 145.A N ASP 145.A OD1 no hydrogen 2.623 N/A ARG 147.A N ASN 144.A OD1 no hydrogen 2.954 N/A ARG 147.A NH1 LEU 142.A O no hydrogen 3.106 N/A ARG 147.A NH2 LEU 142.A O no hydrogen 2.697 N/A ASN 149.A N ASP 145.A O no hydrogen 3.206 N/A ASN 149.A ND2 GLY 134.A O no hydrogen 2.868 N/A LEU 150.A N ALA 146.A O no hydrogen 2.980 N/A LEU 151.A N ARG 147.A O no hydrogen 3.057 N/A GLY 152.A N GLU 148.A O no hydrogen 3.025 N/A ALA 153.A N ASN 149.A O no hydrogen 3.152 N/A LEU 154.A N LEU 150.A O no hydrogen 3.079 N/A LEU 155.A N LEU 151.A O no hydrogen 2.962 N/A VAL 156.A N GLY 152.A O no hydrogen 2.906 N/A ALA 157.A N ALA 153.A O no hydrogen 2.934 N/A GLY 158.A N LEU 154.A O no hydrogen 2.822 N/A GLN 159.A N LEU 155.A O no hydrogen 3.023 N/A GLN 159.A N VAL 156.A O no hydrogen 3.342 N/A TYR 160.A N VAL 156.A O no hydrogen 3.023 N/A CYS 166.A N VAL 130.A O no hydrogen 2.949 N/A CYS 166.A SG GLU 164.A O no hydrogen 3.665 N/A LEU 167.A N PHE 174.A O no hydrogen 2.962 N/A PHE 168.A N LEU 132.A O no hydrogen 2.826 N/A MET 169.A N GLN 172.A O no hydrogen 3.045 N/A ASN 170.A N ASN 149.A OD1 no hydrogen 2.901 N/A GLN 172.A N MET 169.A O no hydrogen 2.992 N/A LEU 173.A N ALA 199.A O no hydrogen 2.897 N/A PHE 174.A N LEU 167.A O no hydrogen 2.877 N/A ARG 175.A NE GLU 164.A OE1 no hydrogen 2.743 N/A ARG 175.A NH1 GLY 349.A O no hydrogen 3.064 N/A ARG 175.A NH2 GLU 164.A OE2 no hydrogen 3.028 N/A ARG 175.A NH2 LEU 211.A O no hydrogen 2.827 N/A GLY 176.A N VAL 165.A O no hydrogen 2.974 N/A ASN 177.A ND2 SER 120.A OG no hydrogen 2.862 N/A ASN 177.A ND2 ARG 348.A O no hydrogen 3.090 N/A ARG 178.A N ARG 175.A O no hydrogen 3.004 N/A ARG 178.A NE GLY 349.A O no hydrogen 2.831 N/A ARG 178.A NH1 ASP 315.A OD2 no hydrogen 3.048 N/A ARG 178.A NH2 GLY 349.A O no hydrogen 3.463 N/A ARG 178.A NH2 THR 352.A OG1 no hydrogen 2.877 N/A VAL 179.A N GLY 176.A O no hydrogen 3.465 N/A THR 180.A N CYS 191.A O no hydrogen 3.029 N/A THR 180.A OG1 GLU 319.A OE2 no hydrogen 2.620 N/A LYS 181.A NZ THR 109.A OG1 no hydrogen 2.691 N/A LYS 181.A NZ ASP 110.A OD1 no hydrogen 3.430 N/A VAL 182.A N ALA 189.A O no hydrogen 2.866 N/A ASP 183.A N ALA 189.A O no hydrogen 3.335 N/A SER 184.A OG GLN 185.A OE1 no hydrogen 3.406 N/A GLN 185.A N ASP 183.A OD1 no hydrogen 3.018 N/A LYS 186.A N ASP 183.A OD1 no hydrogen 3.038 N/A CYS 191.A N THR 180.A O no hydrogen 3.159 N/A SER 192.A OG LEU 195.A O no hydrogen 2.745 N/A ASN 194.A ND2 GLY 295.A O no hydrogen 3.542 N/A ASN 194.A ND2 ASP 315.A O no hydrogen 3.049 N/A LEU 195.A N SER 192.A O no hydrogen 3.499 N/A ALA 199.A N LEU 173.A O no hydrogen 3.269 N/A THR 200.A N THR 206.A O no hydrogen 2.927 N/A THR 200.A OG1 GLN 172.A OE1 no hydrogen 3.451 N/A VAL 201.A N SER 171.A O no hydrogen 2.948 N/A GLY 202.A N ASP 204.A O no hydrogen 2.953 N/A THR 206.A N THR 200.A O no hydrogen 2.881 N/A ALA 208.A N LEU 198.A O no hydrogen 2.888 N/A LEU 211.A N ALA 208.A O no hydrogen 2.911 N/A VAL 212.A N ALA 208.A O no hydrogen 3.172 N/A ARG 213.A N GLU 164.A OE2 no hydrogen 3.043 N/A LYS 218.A NZ ASP 219.A OD1 no hydrogen 3.492 N/A ASP 219.A N LYS 216.A O no hydrogen 3.164 N/A VAL 222.A N GLU 124.A O no hydrogen 3.140 N/A HIS 224.A N MET 122.A O no hydrogen 3.044 N/A HIS 224.A NE2 GLU 124.A OE1 no hydrogen 2.798 N/A ASN 226.A ND2 GLY 330.A O no hydrogen 3.071 N/A GLU 228.A N SER 326.A O no hydrogen 2.879 N/A HIS 229.A ND1 MET 227.A O no hydrogen 3.144 N/A HIS 229.A NE2 ASP 84.A OD1 no hydrogen 3.057 N/A ASP 230.A N GLU 228.A OE2 no hydrogen 3.020 N/A VAL 231.A N HIS 229.A O no hydrogen 2.893 N/A ALA 232.A N GLY 255.A O no hydrogen 3.015 N/A LEU 234.A N VAL 257.A O no hydrogen 2.899 N/A ARG 235.A NH1 GLU 259.A OE1 no hydrogen 2.690 N/A LEU 236.A N GLU 259.A O no hydrogen 3.097 N/A ILE 240.A N TYR 237.A O no hydrogen 3.020 N/A LEU 244.A N PRO 241.A O no hydrogen 3.207 N/A VAL 245.A N PRO 241.A O no hydrogen 3.232 N/A ARG 246.A N ALA 242.A O no hydrogen 2.889 N/A ARG 246.A NE GLU 275.A OE2 no hydrogen 3.128 N/A ALA 247.A N SER 243.A O no hydrogen 3.169 N/A PHE 248.A N LEU 244.A O no hydrogen 3.076 N/A LEU 249.A N VAL 245.A O no hydrogen 3.071 N/A GLN 250.A NE2 ARG 246.A O no hydrogen 3.155 N/A LEU 253.A N GLN 250.A O no hydrogen 3.209 N/A LYS 254.A N ASP 230.A O no hydrogen 2.902 N/A LYS 254.A NZ PRO 252.A O no hydrogen 3.045 N/A GLY 255.A N ASP 230.A O no hydrogen 3.454 N/A VAL 256.A N ILE 285.A O no hydrogen 3.003 N/A VAL 257.A N ALA 232.A O no hydrogen 2.911 N/A LEU 258.A N VAL 287.A O no hydrogen 2.764 N/A GLU 259.A N LEU 234.A O no hydrogen 2.942 N/A THR 260.A N CYS 289.A O no hydrogen 2.808 N/A THR 260.A OG1 ASN 288.A OD1 no hydrogen 2.680 N/A THR 260.A OG1 CYS 289.A O no hydrogen 3.232 N/A PHE 261.A N ASN 265.A O no hydrogen 2.866 N/A GLY 264.A N PHE 261.A O no hydrogen 2.930 N/A ASN 265.A N PHE 261.A O no hydrogen 2.922 N/A GLY 266.A N THR 303.A O no hydrogen 3.057 N/A LYS 269.A NZ ILE 240.A O no hydrogen 2.823 N/A LEU 272.A N LYS 269.A O no hydrogen 3.127 N/A LEU 273.A N LYS 269.A O no hydrogen 3.219 N/A GLN 274.A N PRO 270.A O no hydrogen 2.829 N/A GLU 275.A N ASP 271.A O no hydrogen 3.243 N/A LEU 276.A N LEU 272.A O no hydrogen 3.272 N/A ARG 277.A N LEU 273.A O no hydrogen 3.083 N/A ARG 277.A NH1 GLN 274.A OE1 no hydrogen 3.491 N/A ALA 278.A N GLN 274.A O no hydrogen 2.925 N/A ALA 279.A N GLU 275.A O no hydrogen 3.147 N/A ALA 280.A N LEU 276.A O no hydrogen 3.005 N/A GLN 281.A N ARG 277.A O no hydrogen 2.919 N/A ARG 282.A N ALA 278.A O no hydrogen 3.091 N/A ARG 282.A NH2 LEU 249.A O no hydrogen 2.968 N/A GLY 283.A N ALA 280.A O no hydrogen 2.868 N/A LEU 284.A N ALA 279.A O no hydrogen 3.015 N/A ILE 285.A N LYS 254.A O no hydrogen 3.137 N/A MET 286.A N ASN 309.A O no hydrogen 3.065 N/A VAL 287.A N VAL 256.A O no hydrogen 3.015 N/A ASN 288.A N VAL 311.A O no hydrogen 2.996 N/A ASN 288.A ND2 GLY 264.A O no hydrogen 3.075 N/A ASN 288.A ND2 LEU 305.A O no hydrogen 3.293 N/A CYS 289.A N LEU 258.A O no hydrogen 3.000 N/A CYS 289.A SG MET 316.A O no hydrogen 4.017 N/A SER 290.A OG GLY 262.A O no hydrogen 2.630 N/A GLN 291.A N THR 260.A O no hydrogen 2.846 N/A GLN 291.A NE2 LEU 236.A O no hydrogen 2.825 N/A GLN 291.A NE2 GLU 259.A O no hydrogen 2.878 N/A CYS 292.A N SER 290.A OG no hydrogen 2.944 N/A ARG 294.A NE PRO 193.A O no hydrogen 3.449 N/A GLY 295.A N ASN 194.A OD1 no hydrogen 3.061 N/A VAL 297.A N LEU 314.A O no hydrogen 2.941 N/A THR 298.A N SER 263.A O no hydrogen 2.884 N/A THR 298.A OG1 SER 296.A O no hydrogen 3.403 N/A TYR 301.A N SER 304.A OG no hydrogen 3.218 N/A SER 304.A N TYR 301.A O no hydrogen 3.317 N/A SER 304.A OG ASN 265.A OD1 no hydrogen 3.065 N/A SER 304.A OG TYR 301.A O no hydrogen 3.322 N/A LEU 305.A N GLY 264.A O no hydrogen 3.249 N/A ASN 309.A ND2 LEU 284.A O no hydrogen 3.110 N/A ILE 310.A N GLY 307.A O no hydrogen 2.722 N/A VAL 311.A N MET 286.A O no hydrogen 2.851 N/A GLY 313.A N ASN 288.A O no hydrogen 2.889 N/A LEU 314.A N SER 312.A OG no hydrogen 3.208 N/A MET 316.A N GLY 313.A O no hydrogen 2.874 N/A SER 318.A OG GLU 259.A OE2 no hydrogen 2.613 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.847 N/A ALA 320.A N THR 317.A OG1 no hydrogen 2.991 N/A ALA 321.A N THR 317.A O no hydrogen 2.861 N/A LEU 322.A N SER 318.A O no hydrogen 2.910 N/A ALA 323.A N GLU 319.A O no hydrogen 3.161 N/A LYS 324.A N ALA 320.A O no hydrogen 2.848 N/A LYS 324.A NZ LEU 343.A O no hydrogen 2.995 N/A LYS 324.A NZ LYS 345.A O no hydrogen 2.841 N/A LYS 324.A NZ GLU 350.A OE2 no hydrogen 2.704 N/A LEU 325.A N ALA 321.A O no hydrogen 2.854 N/A SER 326.A N LEU 322.A O no hydrogen 3.060 N/A SER 326.A OG GLU 228.A O no hydrogen 2.691 N/A TYR 327.A N ALA 323.A O no hydrogen 3.000 N/A VAL 328.A N LYS 324.A O no hydrogen 2.982 N/A LEU 329.A N LEU 325.A O no hydrogen 3.074 N/A GLY 330.A N SER 326.A O no hydrogen 3.284 N/A GLY 330.A N TYR 327.A O no hydrogen 3.056 N/A LEU 331.A N TYR 327.A O no hydrogen 3.219 N/A LEU 331.A N VAL 328.A O no hydrogen 3.202 N/A ARG 338.A N SER 335.A OG no hydrogen 3.068 N/A ARG 338.A NH1 GLU 341.A OE1 no hydrogen 3.152 N/A ARG 339.A N SER 335.A O no hydrogen 3.039 N/A ARG 339.A NH1 LEU 331.A O no hydrogen 2.989 N/A ARG 339.A NH2 LEU 331.A O no hydrogen 2.958 N/A ARG 339.A NH2 LEU 334.A O no hydrogen 3.536 N/A GLN 340.A N LEU 336.A O no hydrogen 3.168 N/A GLN 340.A NE2 LEU 336.A O no hydrogen 3.220 N/A GLU 341.A N GLU 337.A O no hydrogen 3.125 N/A LEU 342.A N ARG 338.A O no hydrogen 3.103 N/A LEU 343.A N ARG 339.A O no hydrogen 3.073 N/A ALA 344.A N GLN 340.A O no hydrogen 3.141 N/A LYS 345.A N LEU 342.A O no hydrogen 3.143 N/A LEU 347.A N GLU 350.A OE2 no hydrogen 3.147 N/A ARG 348.A N GLU 350.A OE1 no hydrogen 2.716 N/A ARG 348.A NE SER 120.A O no hydrogen 2.911 N/A ARG 348.A NH1 LEU 347.A O no hydrogen 3.089 N/A ARG 348.A NH2 PHE 121.A O no hydrogen 2.871 N/A ARG 348.A NH2 TYR 327.A OH no hydrogen 3.240 N/A GLY 349.A N ASP 346.A OD1 no hydrogen 2.591 N/A GLU 350.A N GLU 350.A OE1 no hydrogen 2.757 N/A THR 352.A N ASP 315.A OD1 no hydrogen 2.892 N/A THR 352.A OG1 ASP 315.A OD2 no hydrogen 3.081 N/A