Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ccl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ILE 31.A O no hydrogen 2.711 N/A THR 5.A N GLY 26.A O no hydrogen 2.978 N/A THR 5.A OG1 THR 5.A O no hydrogen 2.383 N/A THR 5.A OG1 ARG 25.A O no hydrogen 3.173 N/A PHE 11.A N ASN 7.A O no hydrogen 2.950 N/A LEU 12.A N TRP 8.A O no hydrogen 2.912 N/A GLU 13.A N PRO 9.A O no hydrogen 2.920 N/A ARG 14.A N ASP 10.A O no hydrogen 2.887 N/A ARG 14.A NH1 ASP 10.A OD1 no hydrogen 3.103 N/A HIS 15.A N PHE 11.A O no hydrogen 2.809 N/A TRP 16.A N PHE 11.A O no hydrogen 2.900 N/A GLN 17.A N TYR 175.A OH no hydrogen 2.675 N/A GLN 17.A NE2 ASP 126.A OD1 no hydrogen 3.190 N/A GLN 17.A NE2 ASP 126.A OD2 no hydrogen 2.613 N/A LYS 18.A N HIS 15.A O no hydrogen 2.731 N/A LYS 18.A NZ LEU 12.A O no hydrogen 3.037 N/A LYS 18.A NZ GLU 13.A O no hydrogen 3.335 N/A LYS 18.A NZ TRP 16.A O no hydrogen 2.755 N/A ARG 19.A N HIS 15.A O no hydrogen 2.966 N/A ARG 19.A NH1 GLU 142.A OE1 no hydrogen 3.069 N/A ARG 19.A NH2 GLU 142.A OE1 no hydrogen 3.231 N/A ARG 19.A NH2 GLU 142.A OE2 no hydrogen 3.389 N/A VAL 21.A N TYR 175.A O no hydrogen 2.926 N/A LEU 23.A N ILE 173.A O no hydrogen 2.522 N/A LYS 24.A NZ GLU 166.A OE1 no hydrogen 3.036 N/A ARG 25.A N ASP 172.A OD1 no hydrogen 2.665 N/A PHE 27.A N GLY 171.A O no hydrogen 3.010 N/A SER 35.A N GLU 38.A OE1 no hydrogen 2.829 N/A SER 35.A OG GLU 38.A OE1 no hydrogen 3.444 N/A GLU 38.A N SER 35.A OG no hydrogen 2.999 N/A LEU 39.A N SER 35.A O no hydrogen 2.802 N/A ALA 40.A N PRO 36.A O no hydrogen 2.900 N/A GLY 41.A N ASP 37.A O no hydrogen 2.901 N/A LEU 42.A N GLU 38.A O no hydrogen 2.923 N/A ALA 43.A N LEU 39.A O no hydrogen 2.878 N/A SER 45.A OG GLU 46.A OE1 no hydrogen 3.205 N/A LEU 51.A N SER 62.A O no hydrogen 2.896 N/A VAL 52.A N SER 78.A O no hydrogen 2.912 N/A SER 53.A N GLN 60.A O no hydrogen 2.933 N/A SER 53.A OG GLN 60.A O no hydrogen 3.234 N/A LYS 58.A N GLN 55.A O no hydrogen 2.828 N/A GLN 60.A N SER 53.A O no hydrogen 2.896 N/A SER 62.A N LEU 51.A O no hydrogen 2.953 N/A TYR 69.A OH ALA 40.A O no hydrogen 2.792 N/A THR 75.A OG1 PRO 114.A O no hydrogen 2.890 N/A ASN 76.A N PRO 114.A O no hydrogen 2.522 N/A SER 78.A N VAL 52.A O no hydrogen 2.890 N/A SER 78.A OG PHE 111.A O no hydrogen 3.510 N/A LEU 79.A N PHE 111.A O no hydrogen 2.894 N/A LEU 80.A N ARG 50.A O no hydrogen 2.909 N/A VAL 81.A N ILE 109.A O no hydrogen 2.904 N/A GLN 82.A N ASP 48.A O no hydrogen 2.900 N/A VAL 84.A N LEU 108.A O no hydrogen 3.058 N/A ASN 85.A ND2 ASP 107.A OD1 no hydrogen 3.006 N/A HIS 86.A N ALA 83.A O no hydrogen 2.943 N/A HIS 86.A ND1 GLU 269.A O no hydrogen 3.104 N/A HIS 86.A NE2 ASP 107.A OD1 no hydrogen 2.958 N/A TRP 87.A N VAL 84.A O no hydrogen 2.909 N/A HIS 88.A N VAL 84.A O no hydrogen 2.745 N/A HIS 88.A ND1 THR 91.A OG1 no hydrogen 2.762 N/A THR 91.A N HIS 88.A ND1 no hydrogen 3.172 N/A THR 91.A N HIS 88.A O no hydrogen 3.186 N/A THR 91.A OG1 HIS 88.A ND1 no hydrogen 2.762 N/A ALA 92.A N GLU 89.A O no hydrogen 3.135 N/A LEU 94.A N THR 91.A O no hydrogen 2.946 N/A ARG 98.A N ARG 95.A O no hydrogen 3.144 N/A ARG 98.A NH1 ASP 102.A OD1 no hydrogen 3.514 N/A ARG 98.A NH2 SER 329.A O no hydrogen 2.802 N/A LEU 100.A N PHE 97.A O no hydrogen 2.859 N/A ARG 104.A N PRO 101.A O no hydrogen 3.211 N/A ARG 104.A NH1 ARG 197.A O no hydrogen 3.051 N/A ARG 104.A NH2 ASP 126.A OD2 no hydrogen 3.060 N/A ILE 105.A N ASP 102.A O no hydrogen 3.311 N/A ASP 106.A N GLY 195.A O no hydrogen 3.016 N/A LEU 108.A N ASN 85.A OD1 no hydrogen 3.175 N/A ILE 109.A N VAL 81.A O no hydrogen 2.929 N/A SER 110.A N ASN 191.A O no hydrogen 2.913 N/A PHE 111.A N LEU 79.A O no hydrogen 2.914 N/A SER 112.A N ALA 190.A O no hydrogen 2.879 N/A VAL 113.A N TRP 77.A O no hydrogen 3.260 N/A GLY 115.A N ALA 186.A O no hydrogen 2.852 N/A GLY 116.A N VAL 113.A O no hydrogen 2.737 N/A HIS 121.A N HIS 121.A ND1 no hydrogen 3.027 N/A VAL 127.A N ILE 176.A O no hydrogen 3.168 N/A PHE 128.A N VAL 194.A O no hydrogen 2.918 N/A ILE 129.A N LEU 174.A O no hydrogen 2.915 N/A ILE 130.A N TYR 192.A O no hydrogen 2.888 N/A GLN 131.A N ASP 172.A O no hydrogen 2.870 N/A GLN 131.A NE2 GLY 132.A O no hydrogen 2.909 N/A THR 133.A OG1 ASP 32.A OD2 no hydrogen 2.825 N/A ARG 135.A NH1 GLU 167.A OE1 no hydrogen 2.735 N/A ARG 136.A NH2 GLY 184.A O no hydrogen 3.178 N/A ARG 137.A N TYR 185.A O no hydrogen 2.892 N/A ARG 137.A NH1 TYR 185.A OH no hydrogen 3.312 N/A ARG 137.A NH2 ASP 165.A OD2 no hydrogen 2.753 N/A TRP 138.A N GLU 166.A O no hydrogen 2.862 N/A ARG 139.A N GLU 183.A O no hydrogen 2.882 N/A ARG 139.A NH1 ASP 165.A OD2 no hydrogen 3.423 N/A VAL 140.A N ILE 164.A O no hydrogen 2.870 N/A GLY 141.A N PRO 181.A O no hydrogen 2.630 N/A ILE 163.A N VAL 140.A O no hydrogen 2.837 N/A ILE 164.A N VAL 140.A O no hydrogen 2.995 N/A GLU 166.A N TRP 138.A O no hydrogen 2.983 N/A LEU 168.A N ARG 136.A O no hydrogen 2.909 N/A GLU 169.A N ASP 172.A OD2 no hydrogen 2.850 N/A GLY 171.A N GLN 131.A O no hydrogen 2.914 N/A ASP 172.A N GLU 169.A O no hydrogen 3.093 N/A ILE 173.A N LEU 23.A O no hydrogen 2.876 N/A LEU 174.A N ILE 129.A O no hydrogen 2.917 N/A TYR 175.A N VAL 21.A O no hydrogen 2.869 N/A TYR 175.A OH ASP 126.A OD1 no hydrogen 2.775 N/A ILE 176.A N VAL 127.A O no hydrogen 3.109 N/A GLY 179.A N ASP 123.A O no hydrogen 3.014 N/A HIS 182.A N HIS 121.A O no hydrogen 3.262 N/A HIS 182.A ND1 PHE 180.A O no hydrogen 2.892 N/A GLU 183.A N ARG 139.A O no hydrogen 2.930 N/A TYR 185.A N ARG 137.A O no hydrogen 2.972 N/A ALA 186.A N GLY 116.A O no hydrogen 2.938 N/A LEU 187.A N ARG 135.A O no hydrogen 2.764 N/A ALA 190.A N SER 112.A O no hydrogen 2.895 N/A ASN 191.A ND2 GLN 131.A OE1 no hydrogen 3.161 N/A TYR 192.A N ILE 130.A O no hydrogen 2.895 N/A TYR 192.A OH ASP 32.A OD2 no hydrogen 2.812 N/A VAL 194.A N PHE 128.A O no hydrogen 2.927 N/A GLY 195.A N ASP 107.A O no hydrogen 2.886 N/A PHE 196.A N ASP 126.A O no hydrogen 3.058 N/A ARG 197.A N ARG 104.A O no hydrogen 2.684 N/A ARG 197.A NH1 GLN 265.A O no hydrogen 3.197 N/A ARG 197.A NH2 GLN 265.A O no hydrogen 3.483 N/A ASN 200.A N GLU 203.A OE1 no hydrogen 3.251 N/A GLU 203.A N ASN 200.A OD1 no hydrogen 3.115 N/A LEU 204.A N ASN 200.A O no hydrogen 3.295 N/A ILE 205.A N THR 201.A O no hydrogen 2.891 N/A SER 206.A N ARG 202.A O no hydrogen 2.918 N/A SER 206.A OG ARG 202.A O no hydrogen 3.243 N/A GLY 207.A N GLU 203.A O no hydrogen 2.945 N/A PHE 208.A N LEU 204.A O no hydrogen 2.923 N/A ALA 209.A N ILE 205.A O no hydrogen 2.936 N/A ASP 210.A N SER 206.A O no hydrogen 2.946 N/A TYR 211.A N GLY 207.A O no hydrogen 2.933 N/A VAL 212.A N PHE 208.A O no hydrogen 2.885 N/A LEU 213.A N ALA 209.A O no hydrogen 2.951 N/A GLN 214.A N ASP 210.A O no hydrogen 2.926 N/A ARG 215.A N TYR 211.A O no hydrogen 3.153 N/A GLU 216.A N LEU 213.A O no hydrogen 3.088 N/A LEU 217.A N VAL 212.A O no hydrogen 2.889 N/A VAL 227.A N ASP 224.A O no hydrogen 3.172 N/A ARG 230.A NE ASP 235.A O no hydrogen 3.332 N/A ARG 230.A NH1 PRO 228.A O no hydrogen 2.743 N/A ARG 230.A NH2 ASP 235.A O no hydrogen 2.906 N/A ARG 230.A NH2 GLU 240.A OE1 no hydrogen 2.661 N/A ARG 230.A NH2 GLU 240.A OE2 no hydrogen 3.168 N/A ASP 235.A N HIS 232.A O no hydrogen 2.873 N/A LEU 237.A N GLU 240.A OE1 no hydrogen 2.754 N/A GLU 240.A N LEU 237.A O no hydrogen 3.175 N/A LYS 242.A N GLN 239.A O no hydrogen 2.938 N/A LEU 243.A N GLU 240.A O no hydrogen 2.989 N/A ARG 244.A NH2 ASP 241.A OD1 no hydrogen 2.892 N/A GLU 245.A N ASP 241.A O no hydrogen 2.922 N/A GLU 247.A N GLU 245.A O no hydrogen 2.910 N/A ASN 250.A N LEU 246.A O no hydrogen 2.891 N/A GLN 251.A N GLU 247.A O no hydrogen 3.147 N/A GLU 253.A N GLN 251.A OE1 no hydrogen 3.100 N/A LYS 256.A N PRO 252.A O no hydrogen 2.945 N/A LYS 256.A NZ ASP 308.A OD2 no hydrogen 3.262 N/A GLN 257.A N GLU 253.A O no hydrogen 2.894 N/A TRP 258.A N HIS 254.A O no hydrogen 2.929 N/A PHE 259.A N PHE 255.A O no hydrogen 2.937 N/A GLY 260.A N LYS 256.A O no hydrogen 2.887 N/A GLU 261.A N GLN 257.A O no hydrogen 2.967 N/A PHE 262.A N TRP 258.A O no hydrogen 2.868 N/A ILE 263.A N PHE 259.A O no hydrogen 2.867 N/A SER 264.A OG GLY 260.A O no hydrogen 2.989 N/A GLN 265.A NE2 GLU 261.A O no hydrogen 2.969 N/A SER 266.A OG HIS 268.A O no hydrogen 3.245 N/A ARG 267.A NH2 ASP 106.A OD2 no hydrogen 3.416 N/A HIS 268.A N SER 266.A OG no hydrogen 3.363 N/A TYR 279.A N ASN 355.A OD1 no hydrogen 3.132 N/A ILE 284.A N GLN 280.A O no hydrogen 3.033 N/A TYR 285.A N PRO 281.A O no hydrogen 2.915 N/A TYR 285.A OH GLU 343.A OE2 no hydrogen 3.048 N/A ASP 286.A N ASP 282.A O no hydrogen 2.888 N/A ALA 287.A N GLU 283.A O no hydrogen 2.942 N/A LEU 288.A N ILE 284.A O no hydrogen 2.891 N/A LYS 289.A N TYR 285.A O no hydrogen 2.932 N/A GLN 290.A N ALA 287.A O no hydrogen 3.076 N/A GLY 291.A N LEU 288.A O no hydrogen 3.333 N/A GLU 292.A N ALA 287.A O no hydrogen 3.432 N/A VAL 295.A N PHE 360.A O no hydrogen 2.840 N/A ARG 296.A NH2 LEU 327.A O no hydrogen 3.196 N/A ARG 296.A NH2 ALA 328.A O no hydrogen 2.723 N/A LEU 297.A N TYR 358.A O no hydrogen 3.115 N/A LEU 300.A N LEU 297.A O no hydrogen 3.043 N/A ARG 301.A NE ILE 263.A O no hydrogen 2.929 N/A ARG 301.A NH1 ILE 105.A O no hydrogen 2.612 N/A ARG 301.A NH2 TRP 103.A O no hydrogen 2.985 N/A ARG 301.A NH2 ILE 263.A O no hydrogen 2.875 N/A LEU 303.A N TYR 310.A O no hydrogen 2.911 N/A ILE 305.A N ASP 308.A O no hydrogen 3.040 N/A TYR 310.A N LEU 303.A O no hydrogen 2.891 N/A ALA 311.A N GLU 314.A O no hydrogen 2.750 N/A ASN 312.A N ARG 301.A O no hydrogen 3.169 N/A GLY 313.A N SER 264.A OG no hydrogen 2.648 N/A GLU 314.A N ALA 311.A O no hydrogen 3.303 N/A LYS 315.A NZ ASP 308.A OD1 no hydrogen 3.150 N/A ILE 316.A N VAL 309.A O no hydrogen 2.810 N/A SER 318.A OG PRO 319.A O no hydrogen 2.549 N/A HIS 320.A NE2 ASP 344.A OD2 no hydrogen 3.068 N/A ARG 321.A NH1 SER 318.A O no hydrogen 3.286 N/A ARG 321.A NH2 SER 318.A O no hydrogen 3.270 N/A LEU 324.A N HIS 320.A O no hydrogen 3.209 N/A ASP 325.A N ARG 321.A O no hydrogen 2.897 N/A ALA 326.A N PRO 322.A O no hydrogen 2.905 N/A LEU 327.A N ALA 323.A O no hydrogen 2.904 N/A ALA 328.A N LEU 324.A O no hydrogen 2.941 N/A SER 329.A N ASP 325.A O no hydrogen 2.880 N/A ASN 330.A N ALA 326.A O no hydrogen 2.899 N/A THR 334.A N ASN 337.A OD1 no hydrogen 3.102 N/A THR 334.A OG1 ASN 337.A OD1 no hydrogen 3.161 N/A GLU 336.A N THR 334.A OG1 no hydrogen 3.121 N/A ASN 337.A N THR 334.A O no hydrogen 3.109 N/A GLY 339.A N ALA 335.A O no hydrogen 2.927 N/A ALA 341.A N PHE 338.A O no hydrogen 3.459 N/A LEU 342.A N GLY 339.A O no hydrogen 3.376 N/A GLU 343.A N ASP 340.A O no hydrogen 3.199 N/A ASP 344.A N ALA 341.A O no hydrogen 3.408 N/A SER 346.A N ASP 344.A OD1 no hydrogen 3.235 N/A PHE 347.A N ASP 344.A O no hydrogen 3.013 N/A LEU 348.A N ASP 344.A O no hydrogen 3.299 N/A ALA 349.A N PRO 345.A O no hydrogen 2.938 N/A ALA 351.A N LEU 348.A O no hydrogen 2.886 N/A ALA 352.A N ALA 349.A O no hydrogen 2.950 N/A VAL 354.A N LEU 350.A O no hydrogen 2.922 N/A ASN 355.A N ALA 351.A O no hydrogen 2.891 N/A ASN 355.A ND2 TYR 279.A O no hydrogen 3.427 N/A SER 356.A N LEU 353.A O no hydrogen 3.109 N/A SER 356.A OG ALA 352.A O no hydrogen 3.214 N/A GLY 357.A N VAL 354.A O no hydrogen 2.842 N/A TYR 358.A N LEU 353.A O no hydrogen 3.296 N/A PHE 360.A N VAL 295.A O no hydrogen 2.944 N/A GLU 362.A N VAL 293.A O no hydrogen 2.940 N/A