Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i79_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N VAL 310.A O no hydrogen 3.065 N/A TYR 2.A OH HIS 50.A ND1 no hydrogen 2.947 N/A LYS 4.A N ILE 308.A O no hydrogen 2.852 N/A VAL 6.A N GLU 306.A O no hydrogen 2.751 N/A GLN 8.A NE2.B GLU 38.A O no hydrogen 2.560 N/A LYS 9.A NZ ASP 35.A OD2 no hydrogen 2.739 N/A ILE 10.A N THR 303.A O no hydrogen 3.377 N/A SER 11.A N GLY 32.A O no hydrogen 2.857 N/A SER 11.A OG GLY 32.A O no hydrogen 3.060 N/A SER 11.A OG VAL 62.A O no hydrogen 2.784 N/A LYS 12.A N GLY 32.A O no hydrogen 3.308 N/A LYS 12.A NZ GLU 244.A OE2 no hydrogen 2.701 N/A THR 13.A N THR 291.A OG1 no hydrogen 3.067 N/A ARG 14.A N ALA 30.A O no hydrogen 2.932 N/A ARG 14.A NE LEU 65.A O no hydrogen 2.828 N/A ARG 14.A NH1 THR 13.A O no hydrogen 3.067 N/A ARG 14.A NH1 GLU 244.A OE1 no hydrogen 2.924 N/A ARG 14.A NH1 GLU 244.A OE2 no hydrogen 3.427 N/A ARG 14.A NH2 ASP 64.A OD1 no hydrogen 3.286 N/A ARG 14.A NH2 GLU 244.A OE2 no hydrogen 2.985 N/A TRP 15.A N ASP 293.A OD2 no hydrogen 2.709 N/A TRP 15.A NE1 ASP 293.A O no hydrogen 3.090 N/A ARG 16.A N THR 28.A O no hydrogen 2.891 N/A ARG 16.A NH2 GLU 27.A OE2 no hydrogen 2.809 N/A GLN 24.A N SER 22.A OG no hydrogen 3.265 N/A THR 28.A OG1 GLU 27.A OE2 no hydrogen 2.944 N/A THR 28.A OG1 SER 45.A OG no hydrogen 3.255 N/A PHE 29.A N TRP 44.A O no hydrogen 2.961 N/A ALA 30.A N ARG 14.A O no hydrogen 2.762 N/A THR 31.A N SER 42.A O no hydrogen 2.815 N/A GLY 32.A N LYS 12.A O no hydrogen 2.913 N/A SER 33.A N TYR 40.A O no hydrogen 3.149 N/A SER 33.A OG GLN 8.A OE1.B no hydrogen 2.847 N/A SER 33.A OG ASN 39.A OD1 no hydrogen 3.354 N/A TRP 34.A N LYS 9.A O no hydrogen 3.015 N/A TRP 34.A NE1 ASP 304.A OD1 no hydrogen 3.003 N/A ASP 35.A N ASP 61.A OD1 no hydrogen 2.791 N/A ASN 36.A N ASN 39.A OD1 no hydrogen 3.280 N/A ASN 36.A ND2.A ASN 39.A OD1 no hydrogen 2.852 N/A GLU 38.A N ASN 36.A OD1.B no hydrogen 2.936 N/A ASN 39.A ND2 GLY 60.A O no hydrogen 3.053 N/A ASN 39.A ND2 ASP 61.A OD1 no hydrogen 3.106 N/A TYR 40.A N SER 33.A OG no hydrogen 2.948 N/A ILE 41.A N ILE 56.A O no hydrogen 2.903 N/A SER 42.A N THR 31.A O no hydrogen 2.916 N/A LEU 43.A N CYS 54.A O no hydrogen 2.834 N/A TRP 44.A N PHE 29.A O no hydrogen 2.771 N/A TRP 44.A NE1 THR 31.A OG1 no hydrogen 2.954 N/A SER 45.A N GLN 51.A O no hydrogen 2.948 N/A SER 45.A OG THR 28.A OG1 no hydrogen 3.255 N/A ILE 46.A N GLU 27.A O no hydrogen 2.829 N/A HIS 50.A ND1 TYR 2.A OH no hydrogen 2.947 N/A GLN 51.A N SER 45.A O no hydrogen 2.817 N/A LEU 53.A N LEU 43.A O no hydrogen 2.808 N/A ILE 56.A N ILE 41.A O no hydrogen 2.803 N/A HIS 58.A N ASN 39.A O no hydrogen 2.842 N/A HIS 58.A ND1 GLY 60.A O no hydrogen 2.830 N/A ASP 61.A N SER 78.A OG no hydrogen 2.912 N/A VAL 62.A N SER 33.A O no hydrogen 3.054 N/A MET 63.A N ALA 76.A O no hydrogen 2.846 N/A LEU 65.A N ASP 64.A OD1 no hydrogen 2.906 N/A GLN 66.A N VAL 74.A O no hydrogen 2.992 N/A PHE 68.A N ARG 72.A O no hydrogen 2.787 N/A ASP 69.A N ARG 72.A O no hydrogen 3.360 N/A GLU 71.A N ASP 69.A OD1 no hydrogen 3.096 N/A ARG 72.A N ASP 69.A OD1 no hydrogen 2.884 N/A ARG 72.A NH1 ASP 69.A OD2 no hydrogen 2.835 N/A ILE 73.A N PHE 85.A O no hydrogen 2.898 N/A VAL 74.A N GLN 66.A O no hydrogen 2.724 N/A ALA 75.A N THR 83.A O no hydrogen 2.809 N/A ALA 76.A N ASP 64.A O no hydrogen 2.955 N/A SER 77.A N CYS 81.A O no hydrogen 2.881 N/A SER 77.A OG HIS 59.A O no hydrogen 2.772 N/A SER 77.A OG THR 79.A OG1 no hydrogen 3.197 N/A SER 78.A N ASP 61.A O no hydrogen 3.138 N/A THR 79.A N SER 77.A OG no hydrogen 3.167 N/A THR 79.A OG1 SER 77.A OG no hydrogen 3.197 N/A GLY 80.A N SER 77.A O no hydrogen 3.054 N/A CYS 81.A N THR 79.A OG1 no hydrogen 3.248 N/A CYS 81.A SG THR 83.A OG1 no hydrogen 3.433 N/A CYS 81.A SG GLN 99.A OE1 no hydrogen 3.350 N/A VAL 82.A N TRP 100.A O no hydrogen 3.116 N/A THR 83.A N ALA 75.A O no hydrogen 2.941 N/A VAL 84.A N GLN 98.A O no hydrogen 2.789 N/A PHE 85.A N ILE 73.A O no hydrogen 2.777 N/A LEU 86.A N SER 95.A O no hydrogen 2.753 N/A HIS 87.A N GLU 71.A O no hydrogen 2.721 N/A HIS 88.A N THR 93.A O no hydrogen 2.943 N/A ASN 90.A N.A HIS 88.A ND1 no hydrogen 3.124 N/A ASN 91.A N.A HIS 88.A ND1 no hydrogen 3.148 N/A GLN 92.A N.A HIS 88.A O no hydrogen 3.106 N/A THR 93.A OG1 ASN 91.A OD1.A no hydrogen 2.796 N/A SER 95.A N LEU 86.A O no hydrogen 2.966 N/A ASN 97.A N VAL 84.A O no hydrogen 2.758 N/A GLN 98.A N VAL 84.A O no hydrogen 3.288 N/A GLN 98.A NE2 ASN 97.A OD1 no hydrogen 3.041 N/A GLN 98.A NE2 ASP 137.A OD1 no hydrogen 2.883 N/A TRP 100.A N VAL 82.A O no hydrogen 2.871 N/A TRP 100.A NE1 HIS 138.A O no hydrogen 3.042 N/A ALA 103.A N TRP 100.A O no hydrogen 3.298 N/A HIS 104.A N GLY 80.A O no hydrogen 3.262 N/A HIS 104.A ND1 ASP 128.A OD1 no hydrogen 2.865 N/A HIS 104.A NE2 THR 124.A OG1 no hydrogen 2.682 N/A TYR 105.A N ASP 128.A OD2 no hydrogen 2.984 N/A HIS 106.A N SER 108.A O no hydrogen 2.718 N/A CYS 112.A N SER 77.A O no hydrogen 3.091 N/A CYS 112.A SG GLY 114.A O no hydrogen 3.705 N/A CYS 112.A SG VAL 125.A O no hydrogen 3.414 N/A THR 113.A N VAL 125.A O no hydrogen 2.873 N/A THR 113.A OG1 VAL 125.A O no hydrogen 3.270 N/A THR 113.A OG1 LEU 153.A O no hydrogen 2.835 N/A GLY 114.A N VAL 125.A O no hydrogen 3.337 N/A VAL 115.A N ASP 64.A OD2 no hydrogen 2.961 N/A VAL 116.A N VAL 123.A O no hydrogen 2.926 N/A ASN 118.A N GLU 121.A O no hydrogen 2.805 N/A GLU 121.A N ASN 118.A O no hydrogen 2.877 N/A ILE 122.A N PHE 134.A O no hydrogen 2.880 N/A VAL 123.A N VAL 116.A O no hydrogen 2.917 N/A THR 124.A N ASN 132.A O no hydrogen 3.001 N/A THR 124.A OG1 HIS 104.A NE2 no hydrogen 2.682 N/A VAL 125.A N GLY 114.A O no hydrogen 2.929 N/A GLU 127.A N PRO 111.A O no hydrogen 2.906 N/A GLY 129.A N GLY 126.A O no hydrogen 3.080 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 2.996 N/A ARG 130.A NH1 ASP 128.A OD2 no hydrogen 2.978 N/A ILE 131.A N ILE 145.A O no hydrogen 2.950 N/A ASN 132.A N THR 124.A O no hydrogen 2.898 N/A ASN 132.A ND2 ALA 103.A O no hydrogen 2.915 N/A ASN 132.A ND2 THR 124.A OG1 no hydrogen 3.120 N/A LEU 133.A N ARG 143.A O no hydrogen 2.803 N/A PHE 134.A N ILE 122.A O no hydrogen 2.757 N/A ALA 136.A N PRO 120.A O no hydrogen 3.305 N/A ASP 137.A N GLN 98.A OE1 no hydrogen 2.630 N/A HIS 138.A N ARG 135.A O no hydrogen 3.059 N/A HIS 138.A ND1 ALA 136.A O no hydrogen 3.193 N/A VAL 142.A N LEU 133.A O no hydrogen 2.692 N/A ARG 143.A N LEU 133.A O no hydrogen 3.366 N/A ARG 143.A NE.B THR 144.A O no hydrogen 3.381 N/A ARG 143.A NH1.A THR 144.A O no hydrogen 2.785 N/A ARG 143.A NH1.B GLN 180.A O no hydrogen 3.246 N/A ARG 143.A NH2.A GLN 180.A O no hydrogen 2.716 N/A ARG 143.A NH2.A GLY 182.A O no hydrogen 3.127 N/A ARG 143.A NH2.B PHE 178.A O no hydrogen 3.095 N/A ARG 143.A NH2.B GLN 180.A O no hydrogen 2.605 N/A THR 144.A OG1 ASN 132.A OD1 no hydrogen 2.766 N/A ILE 145.A N ILE 131.A O no hydrogen 2.788 N/A ASP 146.A N ASN 183.A OD1 no hydrogen 2.932 N/A ASN 147.A N GLY 129.A O no hydrogen 2.951 N/A ASN 147.A ND2 ASP 149.A OD2 no hydrogen 2.948 N/A ASP 149.A N ASN 147.A OD1 no hydrogen 3.237 N/A THR 152.A N SER 169.A OG no hydrogen 2.916 N/A HIS 154.A N VAL 167.A O no hydrogen 2.866 N/A THR 157.A N LEU 165.A O no hydrogen 2.854 N/A THR 157.A OG1 PHE 158.A O no hydrogen 2.965 N/A LEU 159.A N GLU 163.A O no hydrogen 2.879 N/A THR 161.A OG1 GLU 121.A OE1 no hydrogen 2.765 N/A GLU 163.A N ARG 160.A O no hydrogen 2.886 N/A ILE 164.A N TRP 176.A O no hydrogen 2.904 N/A LEU 165.A N THR 157.A O no hydrogen 2.845 N/A THR 166.A N LYS 174.A O no hydrogen 2.835 N/A THR 166.A OG1 LYS 174.A O no hydrogen 3.454 N/A VAL 167.A N ALA 155.A O no hydrogen 2.964 N/A ASN 168.A N GLN 172.A O no hydrogen 3.191 N/A ASN 168.A ND2 GLN 172.A OE1 no hydrogen 2.936 N/A SER 169.A N THR 152.A O no hydrogen 2.884 N/A ILE 170.A N ASN 168.A OD1 no hydrogen 2.982 N/A GLY 171.A N ASN 168.A O no hydrogen 3.114 N/A GLN 172.A N ASN 168.A OD1 no hydrogen 2.980 N/A LEU 173.A N LEU 189.A O no hydrogen 2.682 N/A LYS 174.A N THR 166.A O no hydrogen 2.939 N/A LYS 174.A NZ ASP 149.A OD1 no hydrogen 3.031 N/A LYS 174.A NZ ASP 149.A OD2 no hydrogen 2.399 N/A ILE 175.A N GLN 187.A O no hydrogen 3.144 N/A TRP 176.A N ILE 164.A O no hydrogen 2.961 N/A TRP 176.A NE1 THR 166.A OG1 no hydrogen 2.969 N/A ASP 177.A N GLN 180.A OE1 no hydrogen 3.014 N/A PHE 178.A N PRO 162.A O no hydrogen 3.280 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 2.989 N/A ARG 179.A NE ASP 177.A OD1 no hydrogen 3.327 N/A GLN 180.A N ASP 177.A O no hydrogen 3.023 N/A GLN 180.A NE2 GLY 182.A O no hydrogen 3.190 N/A GLN 180.A NE2 GLU 184.A O no hydrogen 2.824 N/A SER 186.A N ILE 175.A O no hydrogen 2.839 N/A SER 186.A OG ILE 175.A O no hydrogen 3.328 N/A GLN 187.A NE2 VAL 225.A O no hydrogen 2.578 N/A LEU 189.A N LEU 173.A O no hydrogen 2.852 N/A SER 190.A N THR 229.A O no hydrogen 2.791 N/A SER 190.A OG LEU 191.A O no hydrogen 3.095 N/A LEU 191.A N GLY 171.A O no hydrogen 3.112 N/A LEU 198.A N ASN 168.A O no hydrogen 3.045 N/A HIS 199.A N GLY 214.A O no hydrogen 2.831 N/A HIS 199.A NE2 GLN 216.A OE1.A no hydrogen 2.851 N/A CYS 200.A SG GLY 214.A O no hydrogen 3.894 N/A CYS 200.A SG MET 242.A O no hydrogen 3.661 N/A ASP 202.A N ALA 212.A O no hydrogen 2.913 N/A ARG 203.A NE HIS 204.A O no hydrogen 2.735 N/A ARG 203.A NH1 HIS 204.A O no hydrogen 3.211 N/A ARG 203.A NH1 PRO 205.A O no hydrogen 2.911 N/A ARG 203.A NH2 LEU 159.A O no hydrogen 2.649 N/A HIS 204.A N VAL 210.A O no hydrogen 2.913 N/A ASN 206.A N HIS 204.A ND1 no hydrogen 3.134 N/A GLN 207.A N HIS 204.A ND1 no hydrogen 3.171 N/A VAL 210.A N GLN 207.A O no hydrogen 3.085 N/A VAL 211.A N TRP 223.A O no hydrogen 3.065 N/A ALA 212.A N ASP 202.A O no hydrogen 2.898 N/A THR 213.A N SER 221.A O no hydrogen 2.845 N/A GLY 214.A N CYS 200.A O no hydrogen 3.137 N/A GLY 215.A N MET 219.A O no hydrogen 3.308 N/A GLN 216.A N PRO 197.A O no hydrogen 2.800 N/A GLN 216.A NE2.A GLU 241.A OE2 no hydrogen 3.026 N/A GLY 218.A N GLY 215.A O no hydrogen 2.961 N/A MET 219.A N ASP 217.A OD1 no hydrogen 3.210 N/A LEU 220.A N LEU 235.A O no hydrogen 2.950 N/A SER 221.A N THR 213.A O no hydrogen 2.975 N/A ILE 222.A N SER 233.A O no hydrogen 2.908 N/A TRP 223.A N VAL 211.A O no hydrogen 2.889 N/A TRP 223.A NE1 THR 213.A OG1 no hydrogen 2.872 N/A VAL 225.A N HIS 209.A O no hydrogen 2.849 N/A ARG 226.A N ASP 224.A OD1 no hydrogen 2.788 N/A ARG 226.A NE ASP 224.A OD1 no hydrogen 3.263 N/A ARG 226.A NH2 ASP 224.A OD2 no hydrogen 3.152 N/A GLN 227.A N ASP 224.A O no hydrogen 2.930 N/A VAL 232.A N ILE 222.A O no hydrogen 2.815 N/A SER 233.A N ILE 222.A O no hydrogen 3.224 N/A SER 233.A OG TRP 272.A O no hydrogen 3.470 N/A LEU 235.A N LEU 220.A O no hydrogen 2.729 N/A HIS 238.A N GLY 218.A O no hydrogen 2.996 N/A HIS 238.A NE2 THR 257.A OG1 no hydrogen 2.761 N/A GLU 239.A N ASP 261.A OD2 no hydrogen 2.816 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.847 N/A MET 242.A N GLY 215.A O no hydrogen 2.962 N/A TRP 243.A N CYS 258.A O no hydrogen 2.910 N/A TRP 243.A NE1 GLU 260.A OE1 no hydrogen 2.998 N/A TRP 243.A NE1 SER 288.A OG no hydrogen 3.033 N/A HIS 246.A N PHE 256.A O no hydrogen 2.848 N/A HIS 246.A NE2 GLU 244.A OE1 no hydrogen 2.696 N/A PHE 247.A N ASP 202.A OD2 no hydrogen 2.816 N/A HIS 248.A N HIS 254.A O no hydrogen 2.829 N/A HIS 248.A NE2 GLY 296.A O no hydrogen 2.762 N/A SER 250.A N HIS 248.A ND1 no hydrogen 3.323 N/A ASN 251.A N HIS 248.A ND1 no hydrogen 3.151 N/A GLU 253.A N ASN 251.A OD1 no hydrogen 3.341 N/A HIS 254.A N ASN 251.A O no hydrogen 3.051 N/A HIS 254.A ND1 HIS 266.A NE2 no hydrogen 2.875 N/A LEU 255.A N TRP 267.A O no hydrogen 2.922 N/A PHE 256.A N HIS 246.A O no hydrogen 2.856 N/A THR 257.A N TRP 265.A O no hydrogen 2.980 N/A THR 257.A OG1 HIS 238.A NE2 no hydrogen 2.761 N/A CYS 258.A N GLU 244.A O no hydrogen 3.111 N/A CYS 258.A SG VAL 289.A O no hydrogen 3.437 N/A SER 259.A N SER 263.A O no hydrogen 2.978 N/A SER 259.A OG ALA 240.A O no hydrogen 3.303 N/A SER 259.A OG GLU 241.A O no hydrogen 2.890 N/A GLU 260.A N GLU 241.A O no hydrogen 2.982 N/A ASP 261.A N SER 259.A OG no hydrogen 2.972 N/A GLY 262.A N SER 259.A O no hydrogen 3.002 N/A SER 263.A N ASP 261.A OD1 no hydrogen 3.062 N/A SER 263.A OG.A ASP 261.A OD1 no hydrogen 3.117 N/A SER 263.A OG.B HIS 238.A ND1 no hydrogen 2.876 N/A SER 263.A OG.B ASP 261.A OD1 no hydrogen 2.535 N/A TRP 265.A N THR 257.A O no hydrogen 2.835 N/A HIS 266.A N THR 279.A O no hydrogen 2.789 N/A HIS 266.A NE2 HIS 254.A ND1 no hydrogen 2.875 N/A TRP 267.A N LEU 255.A O no hydrogen 2.756 N/A TRP 267.A NE1 THR 257.A OG1 no hydrogen 3.014 N/A ASP 268.A N GLU 277.A O no hydrogen 2.782 N/A ALA 269.A N GLU 253.A O no hydrogen 2.848 N/A SER 270.A N ASP 268.A OD1 no hydrogen 2.953 N/A SER 270.A OG ASP 268.A OD1 no hydrogen 2.684 N/A TRP 272.A NE1 PRO 252.A O no hydrogen 2.888 N/A GLU 277.A N ASP 268.A O no hydrogen 2.952 N/A THR 279.A N HIS 266.A O no hydrogen 2.897 N/A LEU 281.A N LEU 264.A O no hydrogen 2.875 N/A SER 286.A OG LEU 287.A O no hydrogen 3.007 N/A SER 288.A OG GLU 260.A OE1 no hydrogen 3.049 N/A SER 288.A OG ASN 290.A OD1 no hydrogen 2.811 N/A VAL 289.A N SER 259.A O no hydrogen 3.009 N/A ASN 290.A N GLY 302.A O no hydrogen 2.953 N/A ASN 290.A ND2 ILE 10.A O no hydrogen 2.784 N/A ASN 290.A ND2 ASP 304.A OD1 no hydrogen 2.909 N/A THR 291.A OG1 GLU 244.A OE1 no hydrogen 3.283 N/A THR 291.A OG1 GLU 244.A OE2 no hydrogen 2.737 N/A LEU 292.A N GLU 244.A OE1 no hydrogen 3.099 N/A ASP 293.A N VAL 300.A O no hydrogen 2.857 N/A LEU 295.A N CYS 298.A O no hydrogen 2.928 N/A CYS 298.A N LEU 295.A O no hydrogen 2.934 N/A CYS 298.A SG THR 25.A OG1 no hydrogen 3.673 N/A CYS 298.A SG ALA 26.A O no hydrogen 3.554 N/A LEU 299.A N THR 311.A O no hydrogen 2.859 N/A VAL 300.A N ASP 293.A O no hydrogen 2.982 N/A CYS 301.A N TYR 309.A O no hydrogen 2.888 N/A CYS 301.A SG TYR 309.A O no hydrogen 4.009 N/A GLY 302.A N THR 291.A O no hydrogen 3.232 N/A THR 303.A N ALA 307.A O no hydrogen 2.956 N/A ASP 304.A N SER 288.A O no hydrogen 2.909 N/A ALA 305.A N THR 303.A OG1 no hydrogen 2.987 N/A GLU 306.A N THR 303.A O no hydrogen 3.213 N/A ILE 308.A N LYS 4.A O no hydrogen 2.964 N/A TYR 309.A N CYS 301.A O no hydrogen 3.003 N/A VAL 310.A N TYR 2.A O no hydrogen 2.954 N/A THR 311.A N LEU 299.A O no hydrogen 2.909 N/A ARG 312.A NE ALA 26.A O no hydrogen 2.974 N/A ARG 312.A NH2 THR 25.A O no hydrogen 3.451 N/A ARG 312.A NH2 THR 25.A OG1 no hydrogen 2.999 N/A ARG 312.A NH2 ALA 26.A O no hydrogen 3.244 N/A HIS 313.A N THR 311.A OG1 no hydrogen 3.003 N/A LEU 314.A N PRO 297.A O no hydrogen 2.912 N/A SER 316.A N HIS 313.A O no hydrogen 3.429 N/A