Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5wkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N SER 3.A OG no hydrogen 2.979 N/A VAL 6.A N GLN 296.A OE1 no hydrogen 2.981 N/A LYS 7.A NZ GLU 287.A OE1 no hydrogen 2.719 N/A HIS 10.A N SER 113.A OG no hydrogen 2.875 N/A SER 12.A OG GLU 16.A OE2 no hydrogen 2.601 N/A VAL 15.A N SER 12.A O no hydrogen 3.058 N/A GLU 16.A N SER 12.A O no hydrogen 2.895 N/A ALA 17.A N GLY 13.A O no hydrogen 3.318 N/A CYS 18.A N VAL 15.A O no hydrogen 2.860 N/A CYS 18.A SG ASP 14.A O no hydrogen 3.553 N/A MET 19.A N GLU 16.A O no hydrogen 3.277 N/A VAL 20.A N GLY 30.A O no hydrogen 2.945 N/A GLN 21.A N GLN 70.A O no hydrogen 2.765 N/A GLN 21.A NE2 ASN 119.A O no hydrogen 3.298 N/A VAL 22.A N LEU 28.A O no hydrogen 2.870 N/A THR 23.A N SER 68.A O no hydrogen 2.829 N/A THR 23.A OG1 THR 27.A OG1 no hydrogen 2.979 N/A CYS 24.A SG SER 66.A O no hydrogen 3.976 N/A THR 27.A OG1 THR 23.A OG1 no hydrogen 2.979 N/A LEU 28.A N VAL 22.A O no hydrogen 2.958 N/A ASN 29.A N CYS 145.A O no hydrogen 2.946 N/A ASN 29.A ND2 CYS 117.A O no hydrogen 2.995 N/A ASN 29.A ND2 GLY 143.A O no hydrogen 3.119 N/A ASN 29.A ND2 CYS 145.A O no hydrogen 2.914 N/A GLY 30.A N VAL 20.A O no hydrogen 2.825 N/A LEU 31.A N TRP 38.A O no hydrogen 2.932 N/A TRP 32.A N CYS 18.A O no hydrogen 2.768 N/A TRP 32.A NE1 VAL 93.A O no hydrogen 3.141 N/A LEU 33.A N THR 36.A O no hydrogen 2.840 N/A ASP 34.A N THR 98.A OG1 no hydrogen 2.940 N/A ASN 35.A ND2 VAL 91.A O no hydrogen 2.997 N/A THR 36.A N LEU 33.A O no hydrogen 2.926 N/A VAL 37.A N LEU 89.A O no hydrogen 2.717 N/A TRP 38.A N LEU 31.A O no hydrogen 2.921 N/A CYS 39.A N LEU 87.A O no hydrogen 3.115 N/A CYS 39.A SG PRO 40.A O no hydrogen 3.698 N/A ARG 41.A N THR 85.A O no hydrogen 3.105 N/A ARG 41.A NE ASP 187.A OD2 no hydrogen 2.797 N/A ARG 41.A NH2 ASP 187.A OD1 no hydrogen 2.892 N/A VAL 43.A N PRO 40.A O no hydrogen 3.245 N/A MET 44.A N ARG 41.A O no hydrogen 3.043 N/A CYS 45.A N HIS 42.A O no hydrogen 2.988 N/A CYS 45.A SG.A PRO 46.A O no hydrogen 3.406 N/A CYS 45.A SG.B TYR 55.A OH no hydrogen 3.714 N/A GLN 49.A N PRO 46.A O no hydrogen 2.924 N/A SER 51.A OG.A GLN 189.A O no hydrogen 2.708 N/A ASP 52.A N GLN 49.A O no hydrogen 3.239 N/A TYR 55.A OH ASP 187.A O no hydrogen 2.732 N/A ALA 57.A N ASN 54.A OD1 no hydrogen 3.064 N/A LEU 58.A N ASN 54.A O no hydrogen 3.024 N/A LEU 59.A N TYR 55.A O no hydrogen 2.898 N/A ILE 60.A N ASP 56.A O no hydrogen 3.207 N/A SER 61.A N ALA 57.A O no hydrogen 3.010 N/A SER 61.A OG LEU 58.A O no hydrogen 2.686 N/A MET 62.A N LEU 59.A O no hydrogen 3.144 N/A THR 63.A N SER 66.A OG no hydrogen 2.967 N/A SER 66.A N THR 63.A O no hydrogen 3.024 N/A SER 66.A OG THR 63.A O no hydrogen 3.287 N/A PHE 67.A N ASN 64.A O no hydrogen 3.345 N/A SER 68.A N THR 23.A O no hydrogen 2.788 N/A GLN 70.A N GLN 21.A O no hydrogen 2.921 N/A LYS 71.A N ALA 73.A O no hydrogen 3.042 N/A LEU 75.A N VAL 69.A O no hydrogen 2.861 N/A VAL 78.A N THR 90.A O no hydrogen 2.733 N/A HIS 80.A ND1 ASN 64.A OD1 no hydrogen 2.696 N/A ALA 81.A N LYS 88.A O no hydrogen 3.058 N/A GLN 83.A N LEU 86.A O no hydrogen 2.812 N/A THR 85.A N GLY 179.A O no hydrogen 2.799 N/A THR 85.A OG1 SER 175.A OG no hydrogen 2.601 N/A THR 85.A OG1 GLY 179.A O no hydrogen 2.893 N/A LEU 86.A N GLN 83.A O no hydrogen 3.028 N/A LEU 87.A N CYS 39.A O no hydrogen 2.740 N/A LYS 88.A N ALA 81.A O no hydrogen 2.802 N/A LEU 89.A N VAL 37.A O no hydrogen 2.809 N/A THR 90.A N GLY 79.A O no hydrogen 2.826 N/A VAL 91.A N ASN 35.A O no hydrogen 2.850 N/A ASP 92.A N ARG 76.A O no hydrogen 3.009 N/A ASN 95.A N ASP 34.A O no hydrogen 2.912 N/A ASN 95.A ND2 ALA 17.A O no hydrogen 3.272 N/A ASN 95.A ND2 TRP 32.A O no hydrogen 2.899 N/A SER 97.A N ASN 95.A OD1 no hydrogen 2.920 N/A THR 98.A N ASN 95.A O no hydrogen 3.231 N/A THR 98.A OG1 ASN 95.A O no hydrogen 2.726 N/A THR 102.A N ILE 157.A O no hydrogen 2.896 N/A THR 102.A OG1 ASN 158.A OD1 no hydrogen 2.856 N/A THR 104.A N PHE 159.A O no hydrogen 2.977 N/A VAL 106.A N TYR 182.A OH no hydrogen 3.030 N/A GLY 109.A N MET 130.A O no hydrogen 2.708 N/A ALA 110.A N LYS 107.A O no hydrogen 2.996 N/A PHE 112.A N VAL 128.A O no hydrogen 2.909 N/A SER 113.A N TYR 150.A O no hydrogen 2.886 N/A VAL 114.A N PHE 126.A O no hydrogen 2.716 N/A LEU 115.A N VAL 148.A O no hydrogen 2.963 N/A ALA 116.A N GLY 124.A O no hydrogen 2.836 N/A CYS 117.A N SER 147.A OG no hydrogen 2.912 N/A CYS 117.A SG LEU 115.A O no hydrogen 3.671 N/A TYR 118.A N ARG 121.A O no hydrogen 3.019 N/A GLY 120.A N ASN 29.A OD1 no hydrogen 2.765 N/A ARG 121.A N TYR 118.A O no hydrogen 2.876 N/A THR 123.A N ALA 116.A O no hydrogen 2.806 N/A THR 123.A OG1.A ALA 116.A O no hydrogen 3.039 N/A THR 123.A OG1.B ARG 121.A O no hydrogen 2.924 N/A GLY 124.A N ALA 116.A O no hydrogen 3.279 N/A THR 125.A OG1 VAL 114.A O no hydrogen 2.687 N/A PHE 126.A N VAL 114.A O no hydrogen 3.100 N/A THR 127.A OG1 PHE 112.A O no hydrogen 2.956 N/A VAL 128.A N PHE 112.A O no hydrogen 3.073 N/A MET 130.A N ALA 110.A O no hydrogen 2.903 N/A ARG 131.A N THR 135.A O no hydrogen 2.906 N/A ARG 131.A NE ASP 197.A OD1 no hydrogen 3.150 N/A ARG 131.A NE ASP 197.A OD2 no hydrogen 3.155 N/A ARG 131.A NH1 ASP 286.A OD1 no hydrogen 3.106 N/A ARG 131.A NH1 ASP 286.A OD2 no hydrogen 3.487 N/A ARG 131.A NH2 ASP 197.A OD1 no hydrogen 3.196 N/A ARG 131.A NH2 LYS 198.A O no hydrogen 2.853 N/A ARG 131.A NH2 ASP 286.A OD2 no hydrogen 2.813 N/A ASN 133.A ND2 LEU 195.A O no hydrogen 3.069 N/A TYR 134.A N ARG 131.A O no hydrogen 2.867 N/A THR 135.A N ASN 133.A OD1 no hydrogen 3.332 N/A THR 135.A OG1 ASN 133.A OD1 no hydrogen 2.807 N/A ILE 136.A N HIS 172.A O no hydrogen 2.779 N/A GLY 138.A N HIS 172.A ND1 no hydrogen 3.157 N/A LEU 141.A N TYR 118.A OH no hydrogen 2.942 N/A SER 144.A N LEU 141.A O no hydrogen 3.079 N/A SER 144.A OG LEU 141.A O no hydrogen 2.749 N/A CYS 145.A SG HIS 42.A NE2 no hydrogen 3.708 N/A CYS 145.A SG GLN 164.A O no hydrogen 3.139 N/A GLY 146.A N HIS 163.A O no hydrogen 3.032 N/A SER 147.A N SER 144.A O no hydrogen 2.992 N/A SER 147.A OG SER 144.A O no hydrogen 2.701 N/A GLY 149.A N TYR 161.A O no hydrogen 2.780 N/A TYR 150.A N SER 113.A O no hydrogen 2.803 N/A THR 151.A N ASN 158.A O no hydrogen 2.950 N/A LYS 152.A NZ ASP 14.A OD2 no hydrogen 3.496 N/A GLU 153.A N VAL 156.A O no hydrogen 2.911 N/A VAL 156.A N GLU 153.A O no hydrogen 3.004 N/A ILE 157.A N ALA 100.A O no hydrogen 2.960 N/A ASN 158.A N THR 151.A O no hydrogen 2.792 N/A ASN 158.A ND2 THR 151.A OG1 no hydrogen 3.153 N/A PHE 159.A N THR 102.A O no hydrogen 2.875 N/A CYS 160.A N GLY 149.A O no hydrogen 2.943 N/A TYR 161.A N GLY 149.A O no hydrogen 3.291 N/A TYR 161.A OH HIS 163.A ND1 no hydrogen 2.818 N/A MET 162.A N SER 175.A O no hydrogen 2.824 N/A HIS 163.A N SER 147.A O no hydrogen 2.810 N/A HIS 163.A ND1 TYR 161.A OH no hydrogen 2.818 N/A GLN 164.A N THR 173.A O no hydrogen 3.147 N/A GLN 164.A NE2 THR 85.A O no hydrogen 3.094 N/A GLN 164.A NE2 SER 175.A OG no hydrogen 2.837 N/A MET 165.A N THR 173.A O no hydrogen 3.056 N/A LEU 167.A N THR 171.A O no hydrogen 2.729 N/A GLY 170.A N LEU 167.A O no hydrogen 2.975 N/A THR 171.A N ASN 169.A OD1 no hydrogen 3.132 N/A THR 171.A OG1 ASN 169.A OD1 no hydrogen 2.744 N/A HIS 172.A N ILE 136.A O no hydrogen 2.901 N/A HIS 172.A NE2 GLU 166.A OE1 no hydrogen 3.068 N/A THR 173.A N MET 165.A O no hydrogen 3.000 N/A THR 173.A OG1 TYR 134.A O no hydrogen 2.917 N/A GLY 174.A N THR 173.A OG1 no hydrogen 2.848 N/A SER 175.A N MET 162.A O no hydrogen 2.930 N/A SER 175.A OG THR 85.A OG1 no hydrogen 2.601 N/A ALA 176.A N THR 180.A O no hydrogen 2.869 N/A GLY 179.A N ALA 176.A O no hydrogen 2.815 N/A THR 180.A N ASP 178.A OD1 no hydrogen 2.917 N/A THR 180.A OG1 ASP 178.A OD1 no hydrogen 2.637 N/A TYR 182.A N GLY 174.A O no hydrogen 3.008 N/A TYR 182.A OH CYS 160.A O no hydrogen 2.614 N/A MET 186.A N GLN 192.A OE1 no hydrogen 2.887 N/A LYS 188.A N MET 186.A O no hydrogen 2.871 N/A GLN 189.A N LEU 50.A O no hydrogen 2.861 N/A VAL 190.A N LYS 188.A O no hydrogen 2.901 N/A GLN 192.A NE2 MET 186.A O no hydrogen 2.913 N/A GLN 192.A NE2 LYS 188.A O no hydrogen 3.239 N/A GLN 192.A NE2 VAL 190.A O no hydrogen 3.641 N/A GLN 194.A NE2 ASN 169.A OD1 no hydrogen 3.557 N/A THR 196.A OG1 ASP 197.A O no hydrogen 3.014 N/A LYS 198.A N ASP 197.A OD1 no hydrogen 2.740 N/A TYR 199.A N GLN 238.A O no hydrogen 2.940 N/A CYS 200.A N ASP 286.A OD2 no hydrogen 2.848 N/A CYS 200.A SG.A ASP 286.A OD2 no hydrogen 3.909 N/A SER 201.A N THR 240.A OG1 no hydrogen 2.837 N/A SER 201.A OG THR 240.A O no hydrogen 2.618 N/A SER 201.A OG THR 240.A OG1 no hydrogen 3.373 N/A ASN 203.A N CYS 200.A O no hydrogen 2.971 N/A ASN 203.A ND2 GLY 109.A O no hydrogen 2.881 N/A ASN 203.A ND2 ASP 286.A O no hydrogen 3.006 N/A VAL 204.A N CYS 200.A O no hydrogen 3.026 N/A VAL 205.A N SER 201.A O no hydrogen 2.913 N/A ALA 206.A N VAL 202.A O no hydrogen 2.994 N/A TRP 207.A N ASN 203.A O no hydrogen 2.986 N/A LEU 208.A N VAL 204.A O no hydrogen 2.994 N/A TYR 209.A N VAL 205.A O no hydrogen 2.961 N/A TYR 209.A OH VAL 257.A O no hydrogen 2.735 N/A ALA 210.A N ALA 206.A O no hydrogen 2.861 N/A ALA 211.A N TRP 207.A O no hydrogen 2.872 N/A ILE 212.A N LEU 208.A O no hydrogen 3.029 N/A LEU 213.A N TYR 209.A O no hydrogen 2.918 N/A ASN 214.A N ALA 211.A O no hydrogen 2.941 N/A ASN 214.A ND2 SER 3.A O no hydrogen 3.097 N/A ASN 214.A ND2 ALA 210.A O no hydrogen 2.924 N/A GLY 215.A N ILE 212.A O no hydrogen 2.926 N/A CYS 216.A N ALA 211.A O no hydrogen 2.916 N/A TRP 218.A NE1 GLN 277.A O no hydrogen 3.004 N/A VAL 220.A N ALA 217.A O no hydrogen 2.994 N/A THR 225.A N GLU 260.A O no hydrogen 2.955 N/A THR 225.A OG1 GLN 267.A OE1 no hydrogen 2.625 N/A SER 226.A OG SER 229.A OG no hydrogen 2.506 N/A SER 229.A N SER 226.A OG no hydrogen 2.948 N/A SER 229.A OG SER 226.A OG no hydrogen 2.506 N/A PHE 230.A N SER 226.A O no hydrogen 2.809 N/A ASN 231.A N VAL 227.A O no hydrogen 2.946 N/A ASN 231.A ND2 PHE 242.A O no hydrogen 3.178 N/A GLU 232.A N VAL 228.A O no hydrogen 3.205 N/A TRP 233.A N SER 229.A O no hydrogen 3.118 N/A ALA 234.A N PHE 230.A O no hydrogen 2.671 N/A LEU 235.A N ASN 231.A O no hydrogen 3.270 N/A ALA 236.A N TRP 233.A O no hydrogen 3.006 N/A ASN 237.A N ALA 234.A O no hydrogen 3.009 N/A ASN 237.A ND2 TRP 233.A O no hydrogen 2.812 N/A PHE 239.A N ALA 234.A O no hydrogen 3.230 N/A THR 240.A N TYR 199.A O no hydrogen 2.845 N/A THR 240.A OG1 TYR 199.A O no hydrogen 3.250 N/A THR 240.A OG1 SER 201.A OG no hydrogen 3.373 N/A PHE 242.A N ASN 231.A OD1 no hydrogen 2.737 N/A SER 247.A OG.B GLU 291.A OE2 no hydrogen 3.297 N/A VAL 248.A N THR 245.A OG1 no hydrogen 3.247 N/A ASP 249.A N THR 245.A O no hydrogen 2.984 N/A MET 250.A N GLN 246.A O no hydrogen 2.954 N/A LEU 251.A N SER 247.A O no hydrogen 3.418 N/A ALA 252.A N VAL 248.A O no hydrogen 3.016 N/A VAL 253.A N ASP 249.A O no hydrogen 2.952 N/A LYS 254.A N MET 250.A O no hydrogen 2.993 N/A THR 255.A N LEU 251.A O no hydrogen 3.053 N/A THR 255.A OG1 LEU 251.A O no hydrogen 2.841 N/A GLY 256.A N ALA 252.A O no hydrogen 2.871 N/A VAL 257.A N THR 255.A OG1 no hydrogen 3.252 N/A ALA 258.A N GLN 261.A OE1 no hydrogen 2.864 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.783 N/A GLN 261.A N ALA 258.A O no hydrogen 2.990 N/A GLN 261.A NE2 LYS 221.A O no hydrogen 2.839 N/A LEU 262.A N ALA 258.A O no hydrogen 3.424 N/A LEU 263.A N ILE 259.A O no hydrogen 2.952 N/A TYR 264.A N GLU 260.A O no hydrogen 3.183 N/A ALA 265.A N GLN 261.A O no hydrogen 3.052 N/A ILE 266.A N LEU 262.A O no hydrogen 2.887 N/A GLN 267.A N LEU 263.A O no hydrogen 3.253 N/A GLN 268.A N TYR 264.A O no hydrogen 3.157 N/A LEU 269.A N ALA 265.A O no hydrogen 2.714 N/A TYR 270.A N ILE 266.A O no hydrogen 2.827 N/A THR 271.A N GLN 268.A O no hydrogen 2.987 N/A THR 271.A OG1 GLN 268.A O no hydrogen 2.536 N/A GLY 272.A N LEU 269.A O no hydrogen 2.878 N/A LYS 276.A N PHE 273.A O no hydrogen 3.146 N/A ILE 278.A N SER 281.A O no hydrogen 2.852 N/A SER 281.A N ILE 278.A O no hydrogen 2.900 N/A SER 281.A OG MET 283.A O no hydrogen 2.767 N/A MET 283.A N SER 281.A OG no hydrogen 3.071 N/A GLU 287.A N GLU 285.A OE2 no hydrogen 2.921 N/A THR 289.A N ASP 292.A OD2 no hydrogen 2.922 N/A THR 289.A OG1 GLU 291.A OE1 no hydrogen 3.524 N/A GLU 291.A N GLU 291.A OE1 no hydrogen 2.835 N/A ASP 292.A N THR 289.A OG1 no hydrogen 2.917 N/A VAL 293.A N THR 289.A O no hydrogen 3.152 N/A ASN 294.A N PRO 290.A O no hydrogen 2.938 N/A ASN 294.A ND2 SER 247.A O no hydrogen 3.047 N/A ASN 294.A ND2 PRO 290.A O no hydrogen 3.054 N/A MET 295.A N GLU 291.A O no hydrogen 2.876 N/A GLN 296.A N ASP 292.A O no hydrogen 2.822 N/A GLN 296.A NE2 VAL 6.A O no hydrogen 2.934 N/A ILE 297.A N VAL 293.A O no hydrogen 3.054 N/A MET 298.A N ASN 294.A O no hydrogen 3.137 N/A GLY 299.A N MET 295.A O no hydrogen 3.089 N/A VAL 300.A N ASN 294.A O no hydrogen 3.020 N/A