Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8hoc_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 GLU 8.A OE2 no hydrogen 3.131 N/A LEU 5.A N GLU 1.A O no hydrogen 3.224 N/A ARG 6.A N LEU 2.A O no hydrogen 2.914 N/A GLN 7.A N ASP 3.A O no hydrogen 2.896 N/A GLU 8.A N GLN 4.A O no hydrogen 2.897 N/A ALA 9.A N LEU 5.A O no hydrogen 2.901 N/A GLU 10.A N ARG 6.A O no hydrogen 2.911 N/A GLN 11.A N GLN 7.A O no hydrogen 2.906 N/A LEU 12.A N GLU 8.A O no hydrogen 2.897 N/A LYS 13.A N ALA 9.A O no hydrogen 2.923 N/A ASN 14.A N GLU 10.A O no hydrogen 2.910 N/A GLN 15.A N GLN 11.A O no hydrogen 2.933 N/A GLN 15.A NE2 LEU 12.A O no hydrogen 2.935 N/A ILE 16.A N LEU 12.A O no hydrogen 2.882 N/A ARG 17.A N LYS 13.A O no hydrogen 2.916 N/A ARG 17.A NH2 ASN 14.A OD1 no hydrogen 3.349 N/A ASP 18.A N ASN 14.A O no hydrogen 2.920 N/A ALA 19.A N GLN 15.A O no hydrogen 2.889 N/A ARG 20.A N ILE 16.A O no hydrogen 2.905 N/A LYS 21.A N ARG 17.A O no hydrogen 2.897 N/A ALA 22.A N ASP 18.A O no hydrogen 2.914 N/A CYS 23.A N ALA 19.A O no hydrogen 2.899 N/A CYS 23.A SG ALA 19.A O no hydrogen 3.358 N/A ALA 24.A N ARG 20.A O no hydrogen 3.324 N/A GLN 30.A N THR 27.A OG1 no hydrogen 3.122 N/A ILE 31.A N LEU 28.A O no hydrogen 3.168 N/A THR 32.A N LEU 28.A O no hydrogen 2.922 N/A THR 32.A OG1 LEU 28.A O no hydrogen 2.779 N/A THR 32.A OG1 LEU 298.A O no hydrogen 3.126 N/A ILE 35.A N THR 32.A O no hydrogen 3.074 N/A ILE 41.A N ALA 303.A O no hydrogen 2.693 N/A ARG 44.A N ASN 338.A O no hydrogen 2.907 N/A ARG 44.A NH1 MET 43.A O no hydrogen 3.452 N/A ARG 46.A N ILE 336.A O no hydrogen 2.888 N/A LEU 49.A N LEU 334.A O no hydrogen 2.857 N/A HIS 52.A NE2 SER 70.A OG no hydrogen 2.720 N/A LEU 53.A N ASP 74.A OD2 no hydrogen 2.639 N/A ILE 56.A N SER 329.A O no hydrogen 3.276 N/A TYR 57.A N ALA 71.A O no hydrogen 2.929 N/A HIS 60.A N VAL 69.A O no hydrogen 3.152 N/A GLY 62.A N LEU 67.A O no hydrogen 2.723 N/A SER 65.A N GLY 62.A O no hydrogen 3.318 N/A SER 65.A OG ASP 64.A O no hydrogen 2.508 N/A SER 65.A OG ASP 321.A OD1 no hydrogen 3.231 N/A SER 65.A OG ASP 321.A OD2 no hydrogen 3.377 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 3.315 N/A ARG 66.A NE ASP 81.A OD1 no hydrogen 3.194 N/A LEU 68.A N TRP 80.A O no hydrogen 2.959 N/A VAL 69.A N HIS 60.A O no hydrogen 3.302 N/A SER 70.A N ILE 78.A O no hydrogen 2.888 N/A SER 70.A OG HIS 52.A NE2 no hydrogen 2.720 N/A SER 70.A OG ILE 78.A O no hydrogen 3.509 N/A ALA 71.A N ALA 58.A O no hydrogen 3.159 N/A SER 72.A OG HIS 52.A ND1 no hydrogen 2.980 N/A GLN 73.A N LYS 55.A O no hydrogen 3.226 N/A ASP 74.A N SER 72.A OG no hydrogen 3.248 N/A GLY 75.A N SER 72.A O no hydrogen 3.502 N/A LEU 77.A N ILE 91.A O no hydrogen 2.885 N/A ILE 78.A N SER 70.A O no hydrogen 2.947 N/A ILE 79.A N HIS 89.A O no hydrogen 2.879 N/A TRP 80.A N LEU 68.A O no hydrogen 2.847 N/A TRP 80.A NE1 SER 70.A OG no hydrogen 2.864 N/A ASP 81.A N ASN 86.A O no hydrogen 3.126 N/A SER 82.A N ARG 66.A O no hydrogen 2.817 N/A SER 82.A OG ARG 66.A O no hydrogen 2.358 N/A LYS 87.A NZ ARG 50.A O no hydrogen 2.986 N/A HIS 89.A N ILE 79.A O no hydrogen 2.977 N/A ILE 91.A N LEU 77.A O no hydrogen 2.886 N/A LEU 93.A N GLY 75.A O no hydrogen 2.683 N/A SER 96.A OG GLN 73.A O no hydrogen 2.719 N/A MET 99.A N GLY 113.A O no hydrogen 2.901 N/A THR 100.A N GLY 113.A O no hydrogen 3.291 N/A THR 100.A OG1 SER 145.A O no hydrogen 3.469 N/A CYS 101.A SG VAL 69.A O no hydrogen 4.000 N/A ALA 102.A N ALA 111.A O no hydrogen 3.069 N/A ALA 104.A N TYR 109.A O no hydrogen 2.979 N/A SER 106.A OG ASP 152.A OD1 no hydrogen 2.710 N/A SER 106.A OG ASP 152.A OD2 no hydrogen 3.327 N/A GLY 107.A N ALA 104.A O no hydrogen 3.011 N/A VAL 110.A N TYR 122.A O no hydrogen 2.935 N/A ALA 111.A N ALA 102.A O no hydrogen 2.925 N/A CYS 112.A N SER 120.A O no hydrogen 2.928 N/A CYS 112.A SG SER 120.A O no hydrogen 4.047 N/A CYS 112.A SG TYR 122.A OH no hydrogen 3.857 N/A GLY 113.A N THR 100.A O no hydrogen 3.429 N/A LEU 115.A N TRP 97.A O no hydrogen 3.159 N/A ASN 117.A N GLY 114.A O no hydrogen 3.388 N/A ILE 118.A N ASP 116.A OD1 no hydrogen 3.152 N/A CYS 119.A N LEU 137.A O no hydrogen 2.924 N/A CYS 119.A SG CYS 112.A O no hydrogen 3.723 N/A SER 120.A N CYS 112.A O no hydrogen 2.892 N/A ILE 121.A N ARG 135.A O no hydrogen 2.881 N/A TYR 122.A N VAL 110.A O no hydrogen 2.860 N/A ASN 123.A N ARG 132.A O no hydrogen 3.316 N/A ASN 123.A ND2 LYS 125.A O no hydrogen 3.363 N/A LEU 124.A N ASN 108.A O no hydrogen 2.913 N/A LYS 125.A NZ ASN 108.A OD1 no hydrogen 3.261 N/A THR 126.A OG1 GLU 128.A OE2 no hydrogen 3.135 N/A SER 134.A N ILE 121.A O no hydrogen 2.793 N/A ARG 135.A N ILE 121.A O no hydrogen 2.957 N/A ARG 135.A NE ILE 169.A O no hydrogen 2.853 N/A LEU 137.A N CYS 119.A O no hydrogen 2.875 N/A HIS 140.A NE2 THR 157.A OG1 no hydrogen 2.862 N/A THR 141.A OG1 ASP 161.A OD2 no hydrogen 3.002 N/A TYR 143.A OH ASP 184.A OD2 no hydrogen 3.393 N/A LEU 144.A N GLY 114.A O no hydrogen 3.283 N/A SER 145.A N SER 158.A O no hydrogen 2.912 N/A SER 145.A OG VAL 185.A O no hydrogen 2.740 N/A ARG 148.A N VAL 156.A O no hydrogen 3.023 N/A ARG 148.A NH1 CYS 101.A O no hydrogen 3.421 N/A ARG 148.A NH1 CYS 147.A O no hydrogen 2.577 N/A LEU 150.A N GLN 154.A O no hydrogen 3.269 N/A ASN 153.A N ASP 151.A OD1 no hydrogen 2.465 N/A ILE 155.A N TRP 167.A O no hydrogen 2.941 N/A VAL 156.A N ARG 148.A O no hydrogen 3.145 N/A THR 157.A N ALA 165.A O no hydrogen 2.926 N/A THR 157.A OG1 HIS 140.A NE2 no hydrogen 2.862 N/A SER 158.A N CYS 146.A O no hydrogen 3.163 N/A SER 159.A N THR 163.A O no hydrogen 2.944 N/A SER 159.A OG HIS 140.A ND1 no hydrogen 2.867 N/A SER 159.A OG ASP 161.A OD1 no hydrogen 2.234 N/A SER 159.A OG THR 163.A O no hydrogen 3.242 N/A GLY 160.A N TYR 143.A O no hydrogen 2.651 N/A THR 162.A OG1 ASP 161.A O no hydrogen 2.438 N/A THR 163.A OG1 ASP 161.A O no hydrogen 3.103 N/A THR 163.A OG1 ASP 161.A OD2 no hydrogen 3.468 N/A CYS 164.A N PHE 178.A O no hydrogen 2.944 N/A ALA 165.A N THR 157.A O no hydrogen 2.873 N/A LEU 166.A N THR 176.A O no hydrogen 2.912 N/A TRP 167.A N ILE 155.A O no hydrogen 2.868 N/A TRP 167.A NE1 THR 157.A OG1 no hydrogen 2.505 N/A ASP 168.A N GLN 173.A O no hydrogen 3.491 N/A ILE 169.A N ASN 153.A O no hydrogen 2.727 N/A GLY 172.A N ASP 168.A O no hydrogen 2.764 N/A GLN 173.A N THR 171.A OG1 no hydrogen 3.300 N/A THR 175.A N LEU 166.A O no hydrogen 2.806 N/A THR 177.A OG1 GLN 174.A OE1 no hydrogen 3.095 N/A PHE 178.A N CYS 164.A O no hydrogen 2.864 N/A HIS 181.A NE2 SER 199.A OG no hydrogen 3.163 N/A MET 186.A N GLY 200.A O no hydrogen 2.911 N/A SER 187.A OG MET 186.A O no hydrogen 2.845 N/A SER 187.A OG ASN 228.A O no hydrogen 2.746 N/A SER 189.A N VAL 198.A O no hydrogen 3.350 N/A ALA 191.A N LEU 196.A O no hydrogen 3.048 N/A ASP 193.A N ASP 193.A OD2 no hydrogen 2.482 N/A THR 194.A N ALA 191.A O no hydrogen 2.935 N/A PHE 197.A N TRP 209.A O no hydrogen 2.953 N/A VAL 198.A N SER 189.A O no hydrogen 3.371 N/A SER 199.A N LYS 207.A O no hydrogen 2.893 N/A SER 199.A OG HIS 181.A NE2 no hydrogen 3.163 N/A GLY 200.A N SER 187.A O no hydrogen 3.118 N/A ALA 201.A N SER 205.A O no hydrogen 3.240 N/A CYS 202.A SG ASP 184.A O no hydrogen 3.262 N/A CYS 202.A SG ASP 226.A OD1 no hydrogen 3.192 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 3.098 N/A SER 205.A OG ASP 203.A OD2 no hydrogen 3.153 N/A ALA 206.A N PHE 220.A O no hydrogen 2.909 N/A LYS 207.A N SER 199.A O no hydrogen 2.924 N/A LEU 208.A N GLN 218.A O no hydrogen 2.907 N/A TRP 209.A N PHE 197.A O no hydrogen 2.871 N/A TRP 209.A NE1 SER 199.A OG no hydrogen 2.343 N/A GLU 213.A N ASP 210.A OD1 no hydrogen 2.400 N/A GLY 214.A N ASP 210.A O no hydrogen 2.838 N/A CYS 216.A SG LEU 208.A O no hydrogen 3.882 N/A CYS 216.A SG GLN 218.A O no hydrogen 3.725 N/A ARG 217.A N LEU 208.A O no hydrogen 2.796 N/A GLN 218.A NE2 LEU 253.A O no hydrogen 3.609 N/A THR 219.A OG1 ALA 206.A O no hydrogen 3.457 N/A PHE 220.A N ALA 206.A O no hydrogen 2.881 N/A THR 221.A OG1 ALA 204.A O no hydrogen 3.397 N/A HIS 223.A NE2 THR 241.A OG1 no hydrogen 3.073 N/A ASP 226.A N SER 225.A OG no hydrogen 2.522 N/A ASN 228.A N GLY 242.A O no hydrogen 2.907 N/A ASN 228.A ND2 ILE 271.A O no hydrogen 2.948 N/A ALA 229.A N GLY 242.A O no hydrogen 3.282 N/A CYS 231.A N ALA 240.A O no hydrogen 3.200 N/A CYS 231.A SG PHE 232.A O no hydrogen 3.278 N/A PHE 233.A N ALA 238.A O no hydrogen 2.617 N/A GLY 236.A N PHE 233.A O no hydrogen 2.877 N/A ASN 237.A ND2 ASN 235.A OD1 no hydrogen 2.794 N/A PHE 239.A N PHE 251.A O no hydrogen 2.927 N/A ALA 240.A N CYS 231.A O no hydrogen 2.927 N/A THR 241.A N ARG 249.A O no hydrogen 2.888 N/A THR 241.A OG1 HIS 223.A NE2 no hydrogen 3.073 N/A THR 241.A OG1 ARG 249.A O no hydrogen 3.224 N/A GLY 242.A N ALA 229.A O no hydrogen 3.114 N/A SER 243.A N THR 247.A O no hydrogen 3.263 N/A SER 243.A OG HIS 223.A ND1 no hydrogen 2.873 N/A SER 243.A OG ASP 245.A OD1 no hydrogen 2.309 N/A SER 243.A OG THR 247.A O no hydrogen 2.878 N/A ASP 244.A N ASP 226.A O no hydrogen 2.746 N/A ASP 245.A N ASP 245.A OD1 no hydrogen 2.430 N/A THR 247.A OG1 SER 243.A OG no hydrogen 2.992 N/A THR 247.A OG1 ASP 245.A OD1 no hydrogen 2.838 N/A CYS 248.A N TYR 262.A O no hydrogen 2.934 N/A ARG 249.A N THR 241.A O no hydrogen 2.930 N/A ARG 249.A NH1 GLU 258.A OE1 no hydrogen 3.417 N/A LEU 250.A N MET 260.A O no hydrogen 2.924 N/A PHE 251.A N PHE 239.A O no hydrogen 2.889 N/A ASP 252.A N GLN 257.A O no hydrogen 3.323 N/A LEU 253.A N ASN 237.A O no hydrogen 3.089 N/A ARG 254.A N ASP 252.A OD1 no hydrogen 3.112 N/A ALA 255.A N ASP 252.A OD1 no hydrogen 3.197 N/A ASP 256.A N ASP 252.A O no hydrogen 2.881 N/A LEU 259.A N LEU 250.A O no hydrogen 2.730 N/A THR 261.A OG1 CYS 248.A O no hydrogen 3.171 N/A TYR 262.A N CYS 248.A O no hydrogen 2.857 N/A TYR 262.A OH ALA 297.A O no hydrogen 2.910 N/A ASN 266.A N HIS 264.A ND1 no hydrogen 3.130 N/A CYS 269.A SG ASP 289.A OD2 no hydrogen 3.119 N/A ILE 271.A N SER 243.A O no hydrogen 3.129 N/A THR 272.A N GLY 286.A O no hydrogen 3.397 N/A THR 272.A OG1 VAL 313.A O no hydrogen 2.713 N/A SER 275.A N LEU 284.A O no hydrogen 2.916 N/A SER 275.A OG PHE 276.A O no hydrogen 3.243 N/A SER 277.A N LEU 282.A O no hydrogen 3.364 N/A SER 277.A OG LYS 278.A O no hydrogen 3.244 N/A LYS 278.A NZ ASP 320.A O no hydrogen 3.553 N/A SER 279.A OG LYS 278.A O no hydrogen 2.456 N/A GLY 280.A N SER 277.A O no hydrogen 3.206 N/A ARG 281.A NE ASP 296.A OD1 no hydrogen 2.543 N/A ARG 281.A NE ASP 296.A OD2 no hydrogen 3.236 N/A ARG 281.A NH2 ASP 36.A O no hydrogen 3.441 N/A ARG 281.A NH2 ASP 296.A OD2 no hydrogen 2.942 N/A LEU 283.A N TRP 295.A O no hydrogen 2.902 N/A LEU 284.A N SER 275.A O no hydrogen 2.897 N/A ALA 285.A N ASN 293.A O no hydrogen 2.915 N/A GLY 286.A N SER 273.A O no hydrogen 2.814 N/A TYR 287.A N ASN 291.A O no hydrogen 3.165 N/A ASP 288.A N GLY 270.A O no hydrogen 3.318 N/A ASN 291.A N ASP 289.A OD1 no hydrogen 3.212 N/A ASN 291.A ND2 ASP 289.A OD1 no hydrogen 2.892 N/A CYS 292.A N LEU 306.A O no hydrogen 2.937 N/A CYS 292.A SG ALA 285.A O no hydrogen 3.644 N/A CYS 292.A SG ASN 293.A O no hydrogen 3.879 N/A ASN 293.A N ALA 285.A O no hydrogen 2.913 N/A VAL 294.A N GLY 304.A O no hydrogen 2.916 N/A TRP 295.A N LEU 283.A O no hydrogen 2.887 N/A ALA 297.A N ARG 281.A O no hydrogen 2.813 N/A LEU 298.A N ASP 296.A OD1 no hydrogen 3.366 N/A LYS 299.A NZ THR 32.A O no hydrogen 2.433 N/A LYS 299.A NZ ILE 35.A O no hydrogen 3.388 N/A ALA 303.A N VAL 294.A O no hydrogen 2.974 N/A LEU 306.A N CYS 292.A O no hydrogen 2.854 N/A HIS 309.A NE2 THR 327.A OG1 no hydrogen 3.153 N/A ARG 312.A N ASN 311.A OD1 no hydrogen 2.639 N/A SER 314.A N GLY 328.A O no hydrogen 2.905 N/A SER 314.A OG ILE 56.A O no hydrogen 2.343 N/A SER 314.A OG GLY 328.A O no hydrogen 3.150 N/A CYS 315.A N GLY 328.A O no hydrogen 2.933 N/A CYS 315.A SG GLY 328.A O no hydrogen 3.558 N/A GLY 317.A N ALA 326.A O no hydrogen 2.898 N/A THR 319.A N ALA 324.A O no hydrogen 3.269 N/A THR 319.A OG1 ASP 321.A OD1 no hydrogen 3.023 N/A THR 319.A OG1 ALA 324.A O no hydrogen 3.405 N/A GLY 322.A N THR 319.A O no hydrogen 3.109 N/A ALA 324.A N THR 319.A OG1 no hydrogen 3.384 N/A VAL 325.A N TRP 337.A O no hydrogen 2.925 N/A ALA 326.A N GLY 317.A O no hydrogen 2.900 N/A THR 327.A N LYS 335.A O no hydrogen 2.891 N/A THR 327.A OG1 HIS 309.A NE2 no hydrogen 3.153 N/A GLY 328.A N CYS 315.A O no hydrogen 2.876 N/A SER 329.A OG HIS 309.A ND1 no hydrogen 3.002 N/A SER 329.A OG ASP 331.A O no hydrogen 3.013 N/A TRP 330.A N ARG 312.A O no hydrogen 2.504 N/A ASP 331.A N SER 329.A OG no hydrogen 3.007 N/A SER 332.A OG HIS 52.A O no hydrogen 3.154 N/A PHE 333.A N ASP 331.A O no hydrogen 2.571 N/A LEU 334.A N LEU 49.A O no hydrogen 3.015 N/A LYS 335.A N THR 327.A O no hydrogen 2.925 N/A LYS 335.A NZ GLY 308.A O no hydrogen 3.439 N/A ILE 336.A N ARG 47.A O no hydrogen 3.125 N/A TRP 337.A N VAL 325.A O no hydrogen 2.848 N/A TRP 337.A NE1 THR 327.A OG1 no hydrogen 2.661 N/A ASN 338.A N ARG 44.A O no hydrogen 2.902 N/A