Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8iq6_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N LEU 1.A O no hydrogen 3.002 N/A GLU 6.A N ARG 2.A O no hydrogen 2.911 N/A GLN 7.A N GLN 3.A O no hydrogen 2.890 N/A LEU 8.A N GLU 4.A O no hydrogen 2.945 N/A LYS 9.A N ALA 5.A O no hydrogen 2.901 N/A ASN 10.A N GLU 6.A O no hydrogen 2.881 N/A GLN 11.A N GLN 7.A O no hydrogen 2.927 N/A ILE 12.A N LEU 8.A O no hydrogen 2.883 N/A ARG 13.A N LYS 9.A O no hydrogen 2.927 N/A ASP 14.A N ASN 10.A O no hydrogen 2.893 N/A ALA 15.A N GLN 11.A O no hydrogen 2.914 N/A ARG 16.A N ILE 12.A O no hydrogen 2.902 N/A ARG 16.A NE ASP 247.A O no hydrogen 2.685 N/A LYS 17.A N ARG 13.A O no hydrogen 2.910 N/A ALA 18.A N ASP 14.A O no hydrogen 2.904 N/A CYS 19.A N ALA 15.A O no hydrogen 2.902 N/A ALA 20.A N ARG 16.A O no hydrogen 3.113 N/A GLN 26.A N THR 23.A OG1 no hydrogen 3.048 N/A ILE 27.A N THR 23.A O no hydrogen 3.247 N/A THR 28.A N LEU 24.A O no hydrogen 2.892 N/A THR 28.A OG1 LEU 24.A O no hydrogen 2.378 N/A THR 28.A OG1 LEU 289.A O no hydrogen 3.137 N/A VAL 34.A N ASP 287.A OD2 no hydrogen 3.327 N/A ILE 37.A N ALA 294.A O no hydrogen 3.134 N/A ARG 40.A N ASN 329.A O no hydrogen 2.903 N/A ARG 42.A N ILE 327.A O no hydrogen 2.907 N/A ARG 43.A NE TYR 79.A O no hydrogen 3.002 N/A ARG 43.A NH2 TYR 79.A O no hydrogen 2.767 N/A LEU 45.A N LEU 325.A O no hydrogen 2.851 N/A HIS 48.A NE2 SER 66.A OG no hydrogen 2.402 N/A LYS 51.A NZ TYR 53.A OH no hydrogen 2.392 N/A ILE 52.A N SER 320.A O no hydrogen 3.473 N/A TYR 53.A N ALA 67.A O no hydrogen 2.918 N/A TYR 53.A OH GLN 69.A OE1 no hydrogen 3.149 N/A HIS 56.A N VAL 65.A O no hydrogen 3.067 N/A GLY 58.A N LEU 63.A O no hydrogen 2.833 N/A THR 59.A OG1 PRO 101.A O no hydrogen 2.398 N/A SER 61.A N GLY 58.A O no hydrogen 3.221 N/A SER 61.A OG ASP 312.A OD1 no hydrogen 3.275 N/A SER 61.A OG ASP 312.A OD2 no hydrogen 2.743 N/A ARG 62.A N ASP 60.A OD1 no hydrogen 3.329 N/A ARG 62.A NE ASP 77.A OD1 no hydrogen 2.560 N/A ARG 62.A NE ASP 77.A OD2 no hydrogen 3.001 N/A ARG 62.A NH2 ASP 77.A OD2 no hydrogen 2.568 N/A LEU 63.A N ASP 60.A OD1 no hydrogen 3.414 N/A LEU 64.A N TRP 76.A O no hydrogen 2.974 N/A VAL 65.A N HIS 56.A O no hydrogen 3.180 N/A SER 66.A N ILE 74.A O no hydrogen 2.902 N/A SER 66.A OG HIS 48.A NE2 no hydrogen 2.402 N/A ALA 67.A N ALA 54.A O no hydrogen 3.133 N/A SER 68.A N LYS 72.A O no hydrogen 2.966 N/A SER 68.A OG HIS 48.A ND1 no hydrogen 2.576 N/A SER 68.A OG ASP 70.A OD1 no hydrogen 2.437 N/A SER 68.A OG LYS 72.A O no hydrogen 3.308 N/A GLN 69.A N LYS 51.A O no hydrogen 2.885 N/A LEU 73.A N ILE 87.A O no hydrogen 2.930 N/A ILE 74.A N SER 66.A O no hydrogen 2.897 N/A ILE 75.A N HIS 85.A O no hydrogen 2.872 N/A TRP 76.A N LEU 64.A O no hydrogen 2.861 N/A TRP 76.A NE1 SER 66.A OG no hydrogen 2.826 N/A ASP 77.A N ASN 82.A O no hydrogen 3.033 N/A SER 78.A N ARG 62.A O no hydrogen 3.181 N/A VAL 84.A N ILE 75.A O no hydrogen 2.877 N/A HIS 85.A N ILE 75.A O no hydrogen 2.972 N/A ILE 87.A N LEU 73.A O no hydrogen 2.874 N/A LEU 89.A N GLY 71.A O no hydrogen 3.041 N/A MET 95.A N GLY 109.A O no hydrogen 2.882 N/A THR 96.A OG1 SER 136.A O no hydrogen 3.388 N/A CYS 97.A SG VAL 65.A O no hydrogen 3.829 N/A ALA 98.A N ALA 107.A O no hydrogen 2.835 N/A TYR 99.A N HIS 56.A ND1 no hydrogen 2.934 N/A ALA 100.A N TYR 105.A O no hydrogen 3.035 N/A SER 102.A OG ASP 143.A OD1 no hydrogen 2.760 N/A SER 102.A OG ASP 143.A OD2 no hydrogen 2.588 N/A GLY 103.A N ALA 100.A O no hydrogen 2.865 N/A VAL 106.A N TYR 118.A O no hydrogen 2.969 N/A ALA 107.A N ALA 98.A O no hydrogen 3.394 N/A CYS 108.A N SER 116.A O no hydrogen 2.924 N/A LEU 111.A N TRP 93.A O no hydrogen 3.255 N/A ASN 113.A N GLY 110.A O no hydrogen 3.204 N/A ILE 114.A N ASP 112.A OD1 no hydrogen 2.846 N/A CYS 115.A N LEU 128.A O no hydrogen 2.916 N/A CYS 115.A SG CYS 108.A O no hydrogen 4.013 N/A SER 116.A N CYS 108.A O no hydrogen 2.886 N/A ILE 117.A N ARG 126.A O no hydrogen 2.884 N/A TYR 118.A N VAL 106.A O no hydrogen 2.835 N/A ASN 119.A N ARG 123.A O no hydrogen 3.330 N/A LEU 120.A N ASN 104.A O no hydrogen 2.753 N/A LYS 121.A N ASN 119.A OD1 no hydrogen 2.600 N/A SER 125.A N ILE 117.A O no hydrogen 2.750 N/A ARG 126.A N ILE 117.A O no hydrogen 2.942 N/A LEU 128.A N CYS 115.A O no hydrogen 2.906 N/A HIS 131.A NE2 THR 148.A OG1 no hydrogen 3.166 N/A THR 132.A N ASP 152.A OD2 no hydrogen 3.322 N/A GLY 133.A N ASP 152.A OD2 no hydrogen 3.280 N/A LEU 135.A N GLY 110.A O no hydrogen 3.206 N/A SER 136.A N SER 149.A O no hydrogen 2.916 N/A SER 136.A OG VAL 176.A O no hydrogen 3.507 N/A SER 136.A OG MET 177.A O no hydrogen 2.267 N/A CYS 137.A SG THR 96.A OG1 no hydrogen 3.769 N/A ARG 139.A N VAL 147.A O no hydrogen 2.776 N/A ARG 139.A NH1 CYS 97.A O no hydrogen 3.130 N/A ARG 139.A NH1 CYS 138.A O no hydrogen 2.819 N/A ASP 142.A N GLN 145.A O no hydrogen 3.394 N/A ASP 143.A N ASP 142.A OD1 no hydrogen 2.307 N/A ILE 146.A N TRP 158.A O no hydrogen 2.965 N/A VAL 147.A N ARG 139.A O no hydrogen 2.916 N/A THR 148.A N ALA 156.A O no hydrogen 2.902 N/A THR 148.A OG1 HIS 131.A NE2 no hydrogen 3.166 N/A SER 149.A N CYS 137.A O no hydrogen 2.859 N/A SER 149.A OG CYS 137.A O no hydrogen 3.275 N/A SER 150.A N THR 154.A O no hydrogen 2.971 N/A SER 150.A OG ASP 152.A OD2 no hydrogen 2.463 N/A SER 150.A OG THR 154.A O no hydrogen 2.977 N/A GLY 151.A N TYR 134.A O no hydrogen 2.511 N/A THR 153.A OG1 ASP 152.A O no hydrogen 2.474 N/A THR 154.A OG1 SER 150.A OG no hydrogen 3.189 N/A THR 154.A OG1 ASP 152.A OD1 no hydrogen 2.259 N/A CYS 155.A N PHE 169.A O no hydrogen 2.965 N/A ALA 156.A N THR 148.A O no hydrogen 2.870 N/A LEU 157.A N THR 167.A O no hydrogen 2.866 N/A TRP 158.A N ILE 146.A O no hydrogen 2.855 N/A TRP 158.A NE1 THR 148.A OG1 no hydrogen 2.521 N/A ASP 159.A N GLN 164.A O no hydrogen 3.275 N/A ILE 160.A N ASN 144.A O no hydrogen 2.732 N/A GLU 161.A N ASP 159.A OD1 no hydrogen 3.359 N/A GLY 163.A N ASP 159.A O no hydrogen 2.941 N/A THR 167.A N LEU 157.A O no hydrogen 2.978 N/A PHE 169.A N CYS 155.A O no hydrogen 2.871 N/A HIS 172.A NE2 SER 190.A OG no hydrogen 2.332 N/A VAL 176.A N SER 150.A O no hydrogen 3.324 N/A MET 177.A N GLY 191.A O no hydrogen 2.893 N/A SER 178.A N GLY 191.A O no hydrogen 3.394 N/A SER 178.A OG MET 177.A O no hydrogen 2.940 N/A SER 178.A OG ASN 219.A O no hydrogen 3.230 N/A SER 180.A N VAL 189.A O no hydrogen 3.162 N/A ALA 182.A N LEU 187.A O no hydrogen 3.090 N/A THR 185.A N ALA 182.A O no hydrogen 2.872 N/A PHE 188.A N TRP 200.A O no hydrogen 2.961 N/A VAL 189.A N SER 180.A O no hydrogen 3.062 N/A SER 190.A N LYS 198.A O no hydrogen 2.912 N/A SER 190.A OG HIS 172.A NE2 no hydrogen 2.332 N/A GLY 191.A N SER 178.A O no hydrogen 2.935 N/A CYS 193.A N ASP 175.A O no hydrogen 2.612 N/A SER 196.A OG ASP 194.A OD2 no hydrogen 2.858 N/A ALA 197.A N PHE 211.A O no hydrogen 2.907 N/A LYS 198.A N SER 190.A O no hydrogen 2.911 N/A LEU 199.A N GLN 209.A O no hydrogen 2.918 N/A TRP 200.A N PHE 188.A O no hydrogen 2.863 N/A TRP 200.A NE1 SER 190.A OG no hydrogen 2.799 N/A VAL 202.A N ARG 186.A O no hydrogen 3.098 N/A GLY 205.A N ASP 201.A O no hydrogen 2.740 N/A CYS 207.A SG LEU 199.A O no hydrogen 3.643 N/A CYS 207.A SG GLN 209.A O no hydrogen 3.395 N/A ARG 208.A N LEU 199.A O no hydrogen 2.842 N/A GLN 209.A NE2 LEU 244.A O no hydrogen 3.130 N/A PHE 211.A N ALA 197.A O no hydrogen 2.870 N/A THR 212.A OG1 ALA 195.A O no hydrogen 3.214 N/A HIS 214.A NE2 THR 232.A OG1 no hydrogen 2.292 N/A ASP 217.A N SER 216.A OG no hydrogen 2.642 N/A ILE 218.A N ALA 192.A O no hydrogen 3.305 N/A ASN 219.A N GLY 233.A O no hydrogen 2.922 N/A ASN 219.A ND2 ASP 235.A OD1 no hydrogen 2.723 N/A ALA 220.A N GLY 233.A O no hydrogen 3.387 N/A CYS 222.A N ALA 231.A O no hydrogen 3.052 N/A CYS 222.A SG PHE 223.A O no hydrogen 3.740 N/A PHE 224.A N ALA 229.A O no hydrogen 2.727 N/A GLY 227.A N PHE 224.A O no hydrogen 3.039 N/A ASN 228.A ND2 ASN 226.A OD1 no hydrogen 2.864 N/A PHE 230.A N PHE 242.A O no hydrogen 2.933 N/A ALA 231.A N CYS 222.A O no hydrogen 3.008 N/A THR 232.A N ARG 240.A O no hydrogen 2.910 N/A THR 232.A OG1 HIS 214.A NE2 no hydrogen 2.292 N/A GLY 233.A N ALA 220.A O no hydrogen 3.194 N/A SER 234.A N THR 238.A O no hydrogen 3.339 N/A SER 234.A OG HIS 214.A ND1 no hydrogen 2.700 N/A SER 234.A OG ASP 236.A OD1 no hydrogen 2.341 N/A SER 234.A OG THR 238.A O no hydrogen 3.387 N/A ASP 235.A N ASP 217.A O no hydrogen 2.886 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.850 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 2.812 N/A CYS 239.A N TYR 253.A O no hydrogen 2.940 N/A ARG 240.A N THR 232.A O no hydrogen 2.917 N/A LEU 241.A N MET 251.A O no hydrogen 2.924 N/A PHE 242.A N PHE 230.A O no hydrogen 2.872 N/A ASP 243.A N GLN 248.A O no hydrogen 3.195 N/A LEU 244.A N ASN 228.A O no hydrogen 3.100 N/A LEU 250.A N LEU 241.A O no hydrogen 2.609 N/A TYR 253.A N CYS 239.A O no hydrogen 2.860 N/A TYR 253.A OH ALA 288.A O no hydrogen 2.254 N/A ILE 262.A N SER 234.A O no hydrogen 2.890 N/A THR 263.A N GLY 277.A O no hydrogen 2.887 N/A THR 263.A OG1 VAL 304.A O no hydrogen 2.311 N/A SER 266.A N LEU 275.A O no hydrogen 2.907 N/A SER 268.A N LEU 273.A O no hydrogen 3.006 N/A LYS 269.A NZ ASP 311.A O no hydrogen 3.200 N/A GLY 271.A N SER 268.A O no hydrogen 3.321 N/A ARG 272.A NE ASP 287.A OD1 no hydrogen 2.696 N/A ARG 272.A NH2 ASP 32.A O no hydrogen 3.220 N/A ARG 272.A NH2 ASP 287.A OD2 no hydrogen 3.417 N/A LEU 274.A N TRP 286.A O no hydrogen 2.917 N/A LEU 275.A N SER 266.A O no hydrogen 2.734 N/A ALA 276.A N ASN 284.A O no hydrogen 2.911 N/A GLY 277.A N SER 264.A O no hydrogen 2.758 N/A TYR 278.A N ASN 282.A O no hydrogen 3.118 N/A ASP 279.A N GLY 261.A O no hydrogen 3.280 N/A CYS 283.A N LEU 297.A O no hydrogen 2.910 N/A ASN 284.A N ALA 276.A O no hydrogen 2.905 N/A VAL 285.A N GLY 295.A O no hydrogen 2.882 N/A TRP 286.A N LEU 274.A O no hydrogen 2.871 N/A ASP 287.A N ASP 292.A O no hydrogen 2.993 N/A ALA 288.A N ARG 272.A O no hydrogen 2.732 N/A LYS 290.A NZ THR 28.A O no hydrogen 3.108 N/A ALA 291.A N ASP 287.A O no hydrogen 2.851 N/A ALA 294.A N VAL 285.A O no hydrogen 2.781 N/A GLY 295.A N VAL 285.A O no hydrogen 2.954 N/A LEU 297.A N CYS 283.A O no hydrogen 2.875 N/A HIS 300.A NE2 THR 318.A OG1 no hydrogen 2.959 N/A ARG 303.A N ASN 302.A OD1 no hydrogen 3.044 N/A SER 305.A N GLY 319.A O no hydrogen 2.880 N/A SER 305.A OG ILE 52.A O no hydrogen 2.408 N/A SER 305.A OG GLY 319.A O no hydrogen 2.737 N/A CYS 306.A N GLY 319.A O no hydrogen 2.923 N/A CYS 306.A SG SER 305.A OG no hydrogen 3.751 N/A CYS 306.A SG GLY 319.A O no hydrogen 3.335 N/A GLY 308.A N ALA 317.A O no hydrogen 2.912 N/A THR 310.A N ALA 315.A O no hydrogen 3.090 N/A THR 310.A OG1 ALA 315.A O no hydrogen 2.790 N/A GLY 313.A N THR 310.A O no hydrogen 2.968 N/A MET 314.A N ASP 312.A OD1 no hydrogen 3.213 N/A VAL 316.A N TRP 328.A O no hydrogen 2.943 N/A ALA 317.A N GLY 308.A O no hydrogen 2.894 N/A THR 318.A N LYS 326.A O no hydrogen 2.910 N/A THR 318.A OG1 HIS 300.A NE2 no hydrogen 2.959 N/A GLY 319.A N CYS 306.A O no hydrogen 2.889 N/A SER 320.A N PHE 324.A O no hydrogen 3.460 N/A TRP 321.A N ARG 303.A O no hydrogen 2.939 N/A LEU 325.A N LEU 45.A O no hydrogen 3.363 N/A LYS 326.A N THR 318.A O no hydrogen 2.915 N/A LYS 326.A NZ GLY 299.A O no hydrogen 3.035 N/A ILE 327.A N ARG 43.A O no hydrogen 2.860 N/A TRP 328.A N VAL 316.A O no hydrogen 2.850 N/A TRP 328.A NE1 THR 318.A OG1 no hydrogen 3.009 N/A ASN 329.A N ARG 40.A O no hydrogen 2.931 N/A