Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8fig_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASN 214.A OD1 no hydrogen 2.788 N/A ARG 4.A N GLN 299.A OE1 no hydrogen 2.928 N/A PHE 8.A N SER 113.A OG no hydrogen 2.837 N/A SER 10.A OG GLU 14.A OE2 no hydrogen 2.493 N/A VAL 13.A N SER 10.A O no hydrogen 2.934 N/A GLU 14.A N SER 10.A O no hydrogen 2.947 N/A CYS 16.A N VAL 13.A O no hydrogen 2.839 N/A CYS 16.A SG LYS 12.A O no hydrogen 3.628 N/A MET 17.A N GLU 14.A O no hydrogen 3.459 N/A VAL 18.A N GLY 29.A O no hydrogen 2.915 N/A GLN 19.A N GLN 69.A O no hydrogen 2.909 N/A VAL 20.A N LEU 27.A O no hydrogen 2.925 N/A THR 21.A N LEU 67.A O no hydrogen 2.714 N/A THR 21.A OG1 THR 26.A OG1 no hydrogen 2.703 N/A CYS 22.A N THR 25.A O no hydrogen 2.984 N/A CYS 22.A SG ASN 65.A O no hydrogen 3.878 N/A THR 25.A N CYS 22.A O no hydrogen 3.231 N/A THR 25.A OG1 CYS 44.A O no hydrogen 3.028 N/A THR 26.A OG1 THR 21.A OG1 no hydrogen 2.703 N/A LEU 27.A N VAL 20.A O no hydrogen 2.995 N/A ASN 28.A N CYS 145.A O no hydrogen 2.935 N/A ASN 28.A ND2 CYS 117.A O no hydrogen 3.080 N/A ASN 28.A ND2 GLY 143.A O no hydrogen 3.050 N/A ASN 28.A ND2 CYS 145.A O no hydrogen 3.006 N/A GLY 29.A N VAL 18.A O no hydrogen 2.860 N/A LEU 30.A N TYR 37.A O no hydrogen 2.854 N/A TRP 31.A N CYS 16.A O no hydrogen 2.643 N/A TRP 31.A NE1 THR 93.A O no hydrogen 3.175 N/A LEU 32.A N VAL 35.A O no hydrogen 2.950 N/A ASP 33.A N THR 98.A OG1 no hydrogen 3.057 N/A VAL 35.A N LEU 32.A O no hydrogen 3.035 N/A VAL 36.A N LEU 89.A O no hydrogen 2.779 N/A TYR 37.A N LEU 30.A O no hydrogen 2.891 N/A CYS 38.A N LEU 87.A O no hydrogen 3.150 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.819 N/A ARG 40.A N CYS 85.A O no hydrogen 3.074 N/A ARG 40.A NE ASP 187.A OD2 no hydrogen 2.791 N/A ARG 40.A NH2 ASP 187.A OD1 no hydrogen 2.958 N/A VAL 42.A N PRO 39.A O no hydrogen 3.304 N/A ILE 43.A N ARG 40.A O no hydrogen 3.168 N/A CYS 44.A N HIS 41.A O no hydrogen 3.075 N/A THR 45.A N ASP 48.A OD2 no hydrogen 3.009 N/A THR 45.A OG1 ASP 48.A OD2 no hydrogen 2.727 N/A MET 49.A N SER 46.A O no hydrogen 3.248 N/A TYR 54.A OH ASP 187.A O no hydrogen 2.737 N/A GLU 55.A N.A GLU 55.A OE1.A no hydrogen 2.774 N/A ASP 56.A N ASN 53.A OD1 no hydrogen 3.062 N/A LEU 57.A N ASN 53.A O no hydrogen 2.948 N/A LEU 58.A N TYR 54.A O no hydrogen 2.857 N/A ILE 59.A N GLU 55.A O.A no hydrogen 3.221 N/A ILE 59.A N GLU 55.A O.B no hydrogen 3.209 N/A LYS 61.A N LEU 58.A O no hydrogen 3.110 N/A SER 62.A N ASN 65.A OD1 no hydrogen 2.736 N/A SER 62.A OG ASN 65.A OD1 no hydrogen 3.210 N/A ASN 65.A N SER 62.A O no hydrogen 2.907 N/A PHE 66.A N ASN 63.A O no hydrogen 3.163 N/A LEU 67.A N THR 21.A O no hydrogen 2.784 N/A GLN 69.A N GLN 19.A O no hydrogen 2.929 N/A GLN 69.A NE2 ASN 72.A O no hydrogen 3.456 N/A ALA 70.A N VAL 73.A O no hydrogen 2.780 N/A LEU 75.A N VAL 68.A O no hydrogen 2.886 N/A ILE 78.A N LYS 90.A O no hydrogen 2.857 N/A HIS 80.A ND1 ASN 63.A OD1 no hydrogen 2.653 N/A SER 81.A N LYS 88.A O no hydrogen 2.920 N/A GLN 83.A N VAL 86.A O no hydrogen 2.825 N/A GLN 83.A NE2 GLU 178.A O no hydrogen 3.453 N/A GLN 83.A NE2 GLU 178.A OE1 no hydrogen 2.562 N/A ASN 84.A ND2 GLU 178.A O no hydrogen 2.944 N/A CYS 85.A N GLY 179.A O no hydrogen 2.957 N/A CYS 85.A SG ASP 187.A OD1 no hydrogen 3.842 N/A CYS 85.A SG ASP 187.A OD2 no hydrogen 3.901 N/A VAL 86.A N GLN 83.A O no hydrogen 2.983 N/A LEU 87.A N CYS 38.A O no hydrogen 2.803 N/A LYS 88.A N SER 81.A O no hydrogen 2.759 N/A LYS 88.A NZ GLN 83.A OE1 no hydrogen 3.385 N/A LEU 89.A N VAL 36.A O no hydrogen 2.870 N/A LYS 90.A N GLY 79.A O no hydrogen 2.856 N/A LYS 90.A NZ ASP 34.A OD2 no hydrogen 3.527 N/A VAL 91.A N ASP 34.A O no hydrogen 2.931 N/A ASP 92.A N ARG 76.A O no hydrogen 3.082 N/A THR 93.A OG1 ASP 92.A OD1 no hydrogen 2.799 N/A ASN 95.A N ASP 33.A O no hydrogen 2.813 N/A ASN 95.A ND2 GLY 15.A O no hydrogen 3.331 N/A ASN 95.A ND2 TRP 31.A O no hydrogen 2.816 N/A LYS 97.A N ASN 95.A OD1 no hydrogen 3.000 N/A THR 98.A N ASN 95.A O no hydrogen 3.292 N/A THR 98.A OG1 ASN 95.A O no hydrogen 2.621 N/A LYS 100.A NZ ASP 155.A OD2 no hydrogen 3.238 N/A LYS 102.A N VAL 157.A O no hydrogen 2.960 N/A VAL 104.A N PHE 159.A O no hydrogen 3.020 N/A ARG 105.A NH1 ASP 176.A OD2 no hydrogen 2.959 N/A ARG 105.A NH1 ASN 180.A O no hydrogen 3.135 N/A ARG 105.A NH1 PHE 181.A O no hydrogen 3.465 N/A ARG 105.A NH2 PHE 181.A O no hydrogen 2.922 N/A ILE 106.A N TYR 182.A OH no hydrogen 3.098 N/A GLN 107.A N GLN 110.A OE1.A no hydrogen 2.934 N/A GLY 109.A N MET 130.A O no hydrogen 2.748 N/A GLN 110.A N.A GLN 107.A O no hydrogen 3.126 N/A GLN 110.A N.B GLN 107.A O no hydrogen 3.143 N/A THR 111.A OG1 ASP 295.A OD1 no hydrogen 3.406 N/A THR 111.A OG1 ASP 295.A OD2 no hydrogen 2.791 N/A PHE 112.A N CYS 128.A O no hydrogen 2.954 N/A SER 113.A N PHE 150.A O no hydrogen 2.908 N/A SER 113.A OG GLN 127.A OE1.A no hydrogen 2.726 N/A VAL 114.A N TYR 126.A O no hydrogen 2.729 N/A LEU 115.A N VAL 148.A O no hydrogen 3.085 N/A ALA 116.A N GLY 124.A O no hydrogen 2.852 N/A CYS 117.A N SER 147.A OG no hydrogen 2.989 N/A CYS 117.A SG LEU 115.A O no hydrogen 3.675 N/A TYR 118.A N SER 121.A O no hydrogen 3.044 N/A GLY 120.A N ASN 28.A OD1 no hydrogen 2.779 N/A SER 121.A N TYR 118.A O no hydrogen 2.808 N/A SER 123.A N ALA 116.A O no hydrogen 2.769 N/A GLY 124.A N ALA 116.A O no hydrogen 3.385 N/A TYR 126.A N VAL 114.A O no hydrogen 3.097 N/A TYR 126.A OH SER 139.A O no hydrogen 3.028 N/A CYS 128.A N PHE 112.A O no hydrogen 2.799 N/A CYS 128.A SG LYS 137.A O no hydrogen 3.884 N/A MET 130.A N GLN 110.A O.A no hydrogen 2.936 N/A MET 130.A N GLN 110.A O.B no hydrogen 3.067 N/A ARG 131.A N THR 135.A O no hydrogen 2.979 N/A ARG 131.A NE ASP 197.A OD2 no hydrogen 2.811 N/A ARG 131.A NH1 ASP 289.A OD1 no hydrogen 3.013 N/A ARG 131.A NH1 ASP 289.A OD2 no hydrogen 3.392 N/A ARG 131.A NH2 THR 198.A O no hydrogen 3.030 N/A ARG 131.A NH2 ASP 289.A OD2 no hydrogen 2.750 N/A ASN 133.A ND2 GLY 195.A O no hydrogen 2.881 N/A PHE 134.A N ARG 131.A O no hydrogen 2.839 N/A THR 135.A N ASN 133.A OD1 no hydrogen 3.309 N/A THR 135.A OG1 ASN 133.A OD1 no hydrogen 2.751 N/A ILE 136.A N HIS 172.A O no hydrogen 2.954 N/A GLY 138.A N HIS 172.A ND1 no hydrogen 3.090 N/A SER 139.A N TYR 126.A OH no hydrogen 3.000 N/A LEU 141.A N TYR 118.A OH no hydrogen 2.961 N/A SER 144.A N LEU 141.A O no hydrogen 3.141 N/A SER 144.A OG LEU 141.A O no hydrogen 2.697 N/A CYS 145.A SG HIS 41.A NE2 no hydrogen 3.811 N/A CYS 145.A SG HIS 164.A O no hydrogen 3.199 N/A GLY 146.A N HIS 163.A O no hydrogen 3.037 N/A SER 147.A N SER 144.A O no hydrogen 3.040 N/A SER 147.A OG SER 144.A O no hydrogen 2.649 N/A GLY 149.A N TYR 161.A O no hydrogen 2.836 N/A PHE 150.A N SER 113.A O no hydrogen 2.801 N/A ASN 151.A N SER 158.A O no hydrogen 2.935 N/A ASN 151.A ND2 THR 111.A O no hydrogen 3.117 N/A ASP 153.A N CYS 156.A O no hydrogen 2.998 N/A CYS 156.A N ASP 153.A O no hydrogen 2.776 N/A CYS 156.A SG VAL 157.A O no hydrogen 4.005 N/A VAL 157.A N LYS 100.A O no hydrogen 2.875 N/A SER 158.A N ASN 151.A O no hydrogen 2.839 N/A SER 158.A OG ASP 153.A OD1 no hydrogen 3.517 N/A SER 158.A OG ASP 153.A OD2 no hydrogen 3.029 N/A PHE 159.A N LYS 102.A O no hydrogen 2.929 N/A CYS 160.A N GLY 149.A O no hydrogen 2.969 N/A TYR 161.A OH HIS 163.A ND1 no hydrogen 2.946 N/A MET 162.A N THR 175.A O no hydrogen 2.810 N/A HIS 163.A N SER 147.A O no hydrogen 2.923 N/A HIS 163.A ND1 TYR 161.A OH no hydrogen 2.946 N/A HIS 164.A N ALA 173.A O no hydrogen 3.246 N/A HIS 164.A NE2 THR 175.A OG1 no hydrogen 2.953 N/A MET 165.A N.A ALA 173.A O no hydrogen 3.128 N/A MET 165.A N.B ALA 173.A O no hydrogen 3.133 N/A LEU 167.A N VAL 171.A O no hydrogen 2.771 N/A GLY 170.A N LEU 167.A O no hydrogen 2.907 N/A HIS 172.A N ILE 136.A O no hydrogen 2.902 N/A HIS 172.A NE2 GLU 166.A OE1 no hydrogen 2.932 N/A ALA 173.A N MET 165.A O.A no hydrogen 2.955 N/A ALA 173.A N MET 165.A O.B no hydrogen 3.016 N/A THR 175.A N MET 162.A O no hydrogen 3.020 N/A THR 175.A OG1 HIS 164.A NE2 no hydrogen 2.953 N/A THR 175.A OG1 ASP 176.A O no hydrogen 2.851 N/A ASP 176.A N ASN 180.A O no hydrogen 2.938 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 2.982 N/A GLY 179.A N ASP 176.A O no hydrogen 3.119 N/A ASN 180.A N ASP 176.A OD1 no hydrogen 2.986 N/A TYR 182.A N GLY 174.A O no hydrogen 2.990 N/A TYR 182.A OH CYS 160.A O no hydrogen 2.646 N/A VAL 186.A N GLN 192.A OE1 no hydrogen 3.086 N/A ASP 187.A N ASP 187.A OD1 no hydrogen 2.625 N/A ARG 188.A N VAL 186.A O no hydrogen 2.903 N/A GLN 189.A N MET 49.A O no hydrogen 2.744 N/A GLN 192.A NE2 VAL 186.A O no hydrogen 2.920 N/A GLN 192.A NE2 ARG 188.A O no hydrogen 3.247 N/A GLN 192.A NE2 THR 190.A O no hydrogen 3.690 N/A THR 198.A OG1 GLU 240.A OE2 no hydrogen 2.728 N/A THR 199.A N ASN 238.A O no hydrogen 3.010 N/A ILE 200.A N ASP 289.A OD2 no hydrogen 2.898 N/A THR 201.A OG1 GLU 240.A O no hydrogen 2.531 N/A ASN 203.A ND2 GLY 109.A O no hydrogen 3.171 N/A ASN 203.A ND2 ASP 289.A O no hydrogen 2.922 N/A VAL 204.A N ILE 200.A O no hydrogen 3.177 N/A LEU 205.A N THR 201.A O no hydrogen 3.009 N/A ALA 206.A N VAL 202.A O no hydrogen 3.020 N/A TRP 207.A N ASN 203.A O no hydrogen 2.956 N/A LEU 208.A N VAL 204.A O no hydrogen 2.934 N/A TYR 209.A N LEU 205.A O no hydrogen 3.022 N/A TYR 209.A OH ILE 259.A O no hydrogen 2.764 N/A ALA 210.A N ALA 206.A O no hydrogen 2.984 N/A ALA 211.A N TRP 207.A O no hydrogen 2.961 N/A VAL 212.A N LEU 208.A O no hydrogen 3.052 N/A ILE 213.A N TYR 209.A O no hydrogen 2.914 N/A ASN 214.A N ALA 210.A O no hydrogen 3.064 N/A ASN 214.A N ALA 211.A O no hydrogen 3.095 N/A ASN 214.A ND2 ALA 210.A O no hydrogen 3.021 N/A GLY 215.A N VAL 212.A O no hydrogen 2.983 N/A ASP 216.A N ALA 211.A O no hydrogen 2.852 N/A TRP 218.A NE1 THR 280.A O no hydrogen 2.989 N/A LEU 220.A N ARG 217.A O no hydrogen 3.239 N/A THR 224.A OG1 ASP 263.A OD1 no hydrogen 2.858 N/A THR 225.A OG1 THR 226.A O no hydrogen 3.267 N/A THR 226.A OG1 ASP 229.A OD2 no hydrogen 2.716 N/A ASP 229.A N THR 226.A OG1 no hydrogen 3.325 N/A PHE 230.A N THR 226.A O no hydrogen 2.867 N/A ASN 231.A N LEU 227.A O no hydrogen 2.779 N/A ASN 231.A ND2 LEU 242.A O no hydrogen 3.014 N/A LEU 232.A N ASN 228.A O no hydrogen 3.060 N/A ALA 234.A N PHE 230.A O no hydrogen 2.803 N/A MET 235.A N ASN 231.A O no hydrogen 3.152 N/A LYS 236.A N VAL 233.A O no hydrogen 3.139 N/A TYR 237.A N ALA 234.A O no hydrogen 2.994 N/A ASN 238.A ND2 ASP 197.A O no hydrogen 2.656 N/A TYR 239.A N ALA 234.A O no hydrogen 3.069 N/A GLU 240.A N THR 199.A O no hydrogen 2.941 N/A LEU 242.A N ASN 231.A OD1 no hydrogen 2.592 N/A THR 243.A N HIS 246.A ND1 no hydrogen 3.099 N/A GLN 244.A NE2 ASP 248.A OD1 no hydrogen 2.677 N/A HIS 246.A N THR 243.A OG1 no hydrogen 3.156 N/A VAL 247.A N THR 243.A O no hydrogen 3.181 N/A ASP 248.A N GLN 244.A O no hydrogen 2.977 N/A ILE 249.A N ASP 245.A O no hydrogen 2.958 N/A LEU 250.A N HIS 246.A O no hydrogen 3.135 N/A LEU 250.A N VAL 247.A O no hydrogen 3.256 N/A GLY 251.A N ASP 248.A O no hydrogen 3.035 N/A LEU 253.A N LEU 250.A O no hydrogen 2.929 N/A SER 254.A N.A LEU 250.A O no hydrogen 3.038 N/A SER 254.A N.B LEU 250.A O no hydrogen 3.041 N/A SER 254.A OG.A ILE 259.A O no hydrogen 2.859 N/A SER 254.A OG.B GLY 251.A O no hydrogen 2.595 N/A ALA 255.A N GLY 251.A O no hydrogen 2.875 N/A GLN 256.A N PRO 252.A O no hydrogen 3.051 N/A GLN 256.A NE2 CYS 300.A O no hydrogen 2.995 N/A THR 257.A N LEU 253.A O no hydrogen 3.220 N/A THR 257.A OG1 LEU 253.A O no hydrogen 2.964 N/A ILE 259.A N THR 257.A OG1 no hydrogen 3.353 N/A MET 264.A N ALA 260.A O no hydrogen 3.042 N/A CYS 265.A N VAL 261.A O no hydrogen 2.948 N/A CYS 265.A SG VAL 261.A O no hydrogen 3.527 N/A ALA 266.A N LEU 262.A O no hydrogen 3.261 N/A SER 267.A N ASP 263.A O no hydrogen 3.246 N/A SER 267.A OG PHE 219.A O no hydrogen 3.134 N/A LEU 268.A N MET 264.A O no hydrogen 2.860 N/A LYS 269.A N CYS 265.A O no hydrogen 2.680 N/A LYS 269.A NZ GLN 273.A OE1 no hydrogen 3.097 N/A GLU 270.A N ALA 266.A O no hydrogen 3.093 N/A LEU 271.A N SER 267.A O no hydrogen 3.049 N/A LEU 272.A N LEU 268.A O no hydrogen 2.913 N/A GLN 273.A N LYS 269.A O no hydrogen 3.152 N/A ASN 274.A N GLU 270.A O no hydrogen 2.784 N/A GLY 275.A N LEU 271.A O no hydrogen 2.849 N/A ARG 279.A N MET 276.A O no hydrogen 3.030 N/A ILE 281.A N SER 284.A O no hydrogen 2.879 N/A LEU 282.A N ASP 216.A OD2 no hydrogen 2.923 N/A SER 284.A N ILE 281.A O no hydrogen 2.825 N/A SER 284.A OG LEU 286.A O no hydrogen 2.869 N/A SER 284.A OG GLU 288.A OE2 no hydrogen 2.788 N/A LEU 286.A N SER 284.A OG no hydrogen 3.029 N/A THR 292.A N ASP 295.A OD2 no hydrogen 3.070 N/A ASP 295.A N THR 292.A OG1 no hydrogen 3.014 N/A VAL 296.A N THR 292.A O no hydrogen 3.102 N/A VAL 297.A N PRO 293.A O no hydrogen 2.976 N/A ALA 298.A N PHE 294.A O no hydrogen 3.096 N/A GLN 299.A N VAL 296.A O no hydrogen 3.191 N/A GLN 299.A NE2 ARG 4.A O no hydrogen 2.686 N/A CYS 300.A N VAL 296.A O no hydrogen 2.924 N/A SER 301.A N VAL 297.A O no hydrogen 2.992 N/A SER 301.A OG VAL 297.A O no hydrogen 2.970 N/A VAL 303.A N CYS 300.A O no hydrogen 3.076 N/A