Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ube_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG VAL 4.A O no hydrogen 3.941 N/A TYR 6.A OH VAL 194.A O no hydrogen 2.644 N/A GLY 7.A N SER 5.A OG no hydrogen 3.343 N/A GLN 10.A N TYR 6.A O no hydrogen 3.046 N/A GLN 10.A NE2 ASP 172.A O no hydrogen 3.071 N/A GLN 10.A NE2 ASN 175.A OD1 no hydrogen 2.785 N/A ILE 11.A N GLY 7.A O no hydrogen 3.311 N/A LYS 12.A N ALA 9.A O no hydrogen 2.952 N/A ALA 13.A N VAL 8.A O no hydrogen 3.266 N/A HIS 17.A N ALA 13.A O no hydrogen 3.091 N/A HIS 17.A NE2 VAL 75.A O no hydrogen 2.858 N/A SER 18.A N PRO 14.A O no hydrogen 2.805 N/A SER 18.A OG.A PRO 14.A O no hydrogen 3.169 N/A SER 18.A OG.B ALA 15.A O no hydrogen 3.244 N/A GLN 19.A N ALA 15.A O no hydrogen 3.143 N/A GLY 20.A N HIS 17.A O no hydrogen 2.931 N/A TYR 21.A N LEU 16.A O no hydrogen 2.915 N/A THR 22.A OG1 SER 78.A OG no hydrogen 2.665 N/A GLY 23.A N SER 227.A OG no hydrogen 3.112 N/A LYS 27.A N ASP 111.A OD2 no hydrogen 2.826 N/A VAL 28.A N SER 80.A O no hydrogen 2.835 N/A ALA 29.A N VAL 112.A O no hydrogen 2.854 N/A ILE 30.A N TYR 82.A O no hydrogen 2.844 N/A LEU 31.A N ASN 114.A O no hydrogen 3.018 N/A GLY 32.A N VAL 84.A O no hydrogen 2.955 N/A THR 33.A OG1 ASP 60.A OD1 no hydrogen 2.780 N/A ILE 35.A N PRO 57.A O no hydrogen 2.987 N/A ASP 36.A N THR 66.A OG1 no hydrogen 2.920 N/A SER 37.A N PHE 58.A O no hydrogen 3.105 N/A SER 37.A OG PHE 58.A O no hydrogen 3.349 N/A SER 38.A N ASP 36.A OD1 no hydrogen 3.067 N/A SER 38.A OG ASP 36.A OD1 no hydrogen 2.582 N/A SER 38.A OG ASP 36.A OD2 no hydrogen 3.380 N/A HIS 39.A N ASP 36.A O no hydrogen 2.994 N/A HIS 39.A NE2 LYS 204.A O no hydrogen 2.938 N/A ASP 41.A N HIS 39.A ND1 no hydrogen 3.186 N/A LEU 42.A N HIS 39.A O no hydrogen 3.152 N/A ALA 45.A N LEU 81.A O no hydrogen 2.817 N/A ALA 48.A N ALA 83.A O no hydrogen 2.952 N/A SER 49.A OG GLU 54.A O no hydrogen 2.732 N/A PHE 50.A N LYS 85.A O no hydrogen 2.858 N/A VAL 51.A N SER 49.A OG no hydrogen 3.197 N/A GLU 54.A N VAL 51.A O no hydrogen 2.887 N/A ASN 56.A ND2 GLN 59.A OE1 no hydrogen 2.873 N/A PHE 58.A N ASN 56.A OD1 no hydrogen 3.073 N/A GLN 59.A N ASN 56.A O no hydrogen 3.437 N/A GLN 59.A NE2 ASN 61.A OD1 no hydrogen 2.980 N/A SER 62.A N ASP 60.A OD1 no hydrogen 3.002 N/A SER 63.A N ASP 60.A OD1 no hydrogen 2.940 N/A SER 63.A OG.A SER 62.A O no hydrogen 2.541 N/A SER 63.A OG.B SER 62.A O no hydrogen 2.909 N/A HIS 64.A N.A SER 62.A OG no hydrogen 3.187 N/A HIS 64.A N.B SER 62.A OG no hydrogen 3.137 N/A GLY 65.A N THR 33.A OG1 no hydrogen 2.944 N/A THR 66.A N ASP 60.A OD2 no hydrogen 2.884 N/A THR 66.A OG1 ASP 60.A OD2 no hydrogen 2.629 N/A HIS 67.A N SER 63.A O no hydrogen 3.098 N/A HIS 67.A NE2 GLY 206.A O no hydrogen 2.926 N/A ILE 68.A N HIS 64.A O.A no hydrogen 2.919 N/A ILE 68.A N HIS 64.A O.B no hydrogen 3.004 N/A ALA 69.A N GLY 65.A O no hydrogen 2.889 N/A GLY 70.A N THR 66.A O no hydrogen 3.052 N/A THR 71.A N HIS 67.A O no hydrogen 3.023 N/A THR 71.A OG1 HIS 67.A O no hydrogen 3.427 N/A VAL 72.A N ILE 68.A O no hydrogen 3.016 N/A LEU 73.A N ALA 69.A O no hydrogen 3.093 N/A ALA 74.A N GLY 70.A O no hydrogen 2.795 N/A VAL 75.A N THR 71.A O no hydrogen 3.074 N/A ALA 76.A N VAL 72.A O no hydrogen 2.723 N/A SER 78.A N THR 22.A O no hydrogen 2.872 N/A SER 78.A OG THR 22.A OG1 no hydrogen 2.665 N/A ALA 79.A N ALA 76.A O no hydrogen 3.041 N/A SER 80.A N VAL 26.A O no hydrogen 2.847 N/A TYR 82.A N VAL 28.A O no hydrogen 2.875 N/A ALA 83.A N GLY 46.A O no hydrogen 3.005 N/A VAL 84.A N ILE 30.A O no hydrogen 3.046 N/A LYS 85.A N ALA 48.A O no hydrogen 2.918 N/A LYS 85.A NZ THR 33.A O no hydrogen 2.977 N/A LYS 85.A NZ ASN 56.A O no hydrogen 2.864 N/A LYS 85.A NZ GLN 59.A O no hydrogen 2.797 N/A VAL 86.A N GLY 32.A O no hydrogen 2.805 N/A LEU 87.A N GLY 32.A O no hydrogen 3.061 N/A GLY 88.A N SER 92.A O no hydrogen 2.808 N/A ALA 89.A N GLU 54.A OE2 no hydrogen 2.785 N/A GLY 91.A N GLY 88.A O no hydrogen 2.826 N/A SER 92.A N ASP 90.A OD1 no hydrogen 3.023 N/A SER 92.A OG ASP 90.A OD1 no hydrogen 2.703 N/A SER 92.A OG ASP 90.A OD2 no hydrogen 3.484 N/A VAL 98.A N GLN 94.A O no hydrogen 3.220 N/A ILE 99.A N ALA 95.A O no hydrogen 3.070 N/A ASN 100.A N SER 96.A O no hydrogen 2.843 N/A GLY 101.A N TRP 97.A O no hydrogen 2.985 N/A ILE 102.A N VAL 98.A O no hydrogen 2.940 N/A GLU 103.A N.A ILE 99.A O no hydrogen 2.858 N/A GLU 103.A N.B ILE 99.A O no hydrogen 2.852 N/A TRP 104.A N ASN 100.A O no hydrogen 2.923 N/A ALA 105.A N GLY 101.A O no hydrogen 2.958 N/A ILE 106.A N ILE 102.A O no hydrogen 3.015 N/A ALA 107.A N GLU 103.A O.A no hydrogen 2.990 N/A ALA 107.A N GLU 103.A O.B no hydrogen 3.002 N/A ASN 108.A N TRP 104.A O no hydrogen 2.954 N/A ASN 108.A ND2 TRP 104.A O no hydrogen 2.930 N/A ASN 109.A N ILE 106.A O no hydrogen 3.058 N/A MET 110.A N ALA 105.A O no hydrogen 3.044 N/A ASP 111.A N LYS 27.A O no hydrogen 2.865 N/A VAL 112.A N LYS 27.A O no hydrogen 3.053 N/A ILE 113.A N VAL 139.A O no hydrogen 2.842 N/A ASN 114.A N ALA 29.A O no hydrogen 2.891 N/A ASN 114.A ND2 SER 116.A OG.A no hydrogen 3.007 N/A MET 115.A N VAL 141.A O no hydrogen 2.810 N/A SER 116.A OG.A SER 212.A O no hydrogen 2.803 N/A SER 119.A N TYR 158.A O no hydrogen 2.937 N/A SER 119.A OG SER 121.A O no hydrogen 3.004 N/A SER 121.A N SER 119.A OG no hydrogen 3.301 N/A SER 123.A N TYR 162.A OH no hydrogen 2.954 N/A LEU 126.A N SER 123.A OG no hydrogen 2.950 N/A LYS 127.A N SER 123.A O no hydrogen 2.942 N/A LYS 127.A NZ ASP 131.A OD2 no hydrogen 2.762 N/A ALA 128.A N ALA 124.A O no hydrogen 2.791 N/A ALA 129.A N ALA 125.A O no hydrogen 2.976 N/A VAL 130.A N LEU 126.A O no hydrogen 2.983 N/A ASP 131.A N LYS 127.A O no hydrogen 2.897 N/A LYS 132.A N ALA 128.A O no hydrogen 2.889 N/A LYS 132.A NZ GLU 103.A OE1.A no hydrogen 3.037 N/A ALA 133.A N ALA 129.A O no hydrogen 2.892 N/A VAL 134.A N VAL 130.A O no hydrogen 2.960 N/A ALA 135.A N ASP 131.A O no hydrogen 2.818 N/A SER 136.A N LYS 132.A O no hydrogen 2.903 N/A SER 136.A N ALA 133.A O no hydrogen 3.203 N/A SER 136.A OG LYS 132.A O no hydrogen 2.830 N/A GLY 137.A N VAL 134.A O no hydrogen 3.014 N/A VAL 138.A N ALA 133.A O no hydrogen 2.977 N/A VAL 139.A N ASP 111.A O no hydrogen 2.950 N/A VAL 141.A N ILE 113.A O no hydrogen 2.925 N/A ALA 142.A N ILE 166.A O no hydrogen 2.916 N/A ALA 143.A N MET 115.A O no hydrogen 3.063 N/A ALA 144.A N VAL 168.A O no hydrogen 2.861 N/A GLY 145.A N THR 211.A OG1 no hydrogen 3.089 N/A SER 147.A N SER 182.A OG no hydrogen 3.062 N/A GLY 148.A N PHE 180.A O no hydrogen 2.910 N/A SER 153.A N SER 150.A O no hydrogen 3.000 N/A SER 153.A OG SER 150.A O no hydrogen 3.497 N/A SER 154.A OG VAL 183.A O no hydrogen 3.450 N/A SER 154.A OG GLU 186.A OE1 no hydrogen 2.657 N/A THR 155.A N VAL 183.A O no hydrogen 2.752 N/A THR 155.A OG1 GLY 148.A O no hydrogen 2.692 N/A THR 155.A OG1 VAL 183.A O no hydrogen 3.541 N/A VAL 156.A N SER 154.A OG no hydrogen 3.295 N/A THR 157.A N ALA 144.A O no hydrogen 2.870 N/A THR 157.A OG1 ALA 144.A O no hydrogen 3.235 N/A TYR 158.A N SER 119.A O no hydrogen 2.896 N/A LYS 161.A N THR 157.A O no hydrogen 2.776 N/A TYR 162.A N PRO 159.A O no hydrogen 3.004 N/A SER 164.A OG ASP 131.A OD1 no hydrogen 2.735 N/A VAL 165.A N TYR 162.A O no hydrogen 3.085 N/A ILE 166.A N VAL 140.A O no hydrogen 2.933 N/A ALA 167.A N ASP 188.A OD2 no hydrogen 2.937 N/A VAL 168.A N ALA 142.A O no hydrogen 2.962 N/A GLY 169.A N VAL 189.A O no hydrogen 2.937 N/A ALA 170.A N SER 181.A OG no hydrogen 2.967 N/A VAL 171.A N ALA 191.A O no hydrogen 2.997 N/A ASP 172.A N GLN 176.A O no hydrogen 2.930 N/A SER 174.A N ASP 172.A OD1 no hydrogen 2.876 N/A ASN 175.A N ASP 172.A O no hydrogen 2.986 N/A GLN 176.A N ASP 172.A OD1 no hydrogen 3.002 N/A ARG 177.A N TYR 254.A OH no hydrogen 3.028 N/A ARG 177.A NE SER 181.A O no hydrogen 3.049 N/A ARG 177.A NH2 SER 181.A O no hydrogen 2.793 N/A ALA 178.A N ALA 170.A O no hydrogen 2.925 N/A SER 181.A N ALA 178.A O no hydrogen 2.940 N/A SER 182.A N GLY 145.A O no hydrogen 2.879 N/A SER 182.A OG THR 155.A O no hydrogen 2.884 N/A SER 182.A OG THR 155.A OG1 no hydrogen 3.407 N/A VAL 183.A N THR 155.A OG1 no hydrogen 2.975 N/A GLY 184.A N PHE 252.A O no hydrogen 2.860 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.883 N/A LEU 187.A N GLY 184.A O no hydrogen 3.089 N/A ASP 188.A N ALA 167.A O no hydrogen 2.996 N/A VAL 189.A N ALA 167.A O no hydrogen 3.237 N/A MET 190.A N GLY 257.A O no hydrogen 2.804 N/A ALA 191.A N GLY 169.A O no hydrogen 2.986 N/A GLY 193.A N VAL 171.A O no hydrogen 2.899 N/A SER 195.A N SER 209.A OG no hydrogen 2.834 N/A ILE 196.A N LEU 208.A O no hydrogen 2.917 N/A SER 198.A N GLY 206.A O no hydrogen 2.989 N/A SER 198.A OG HIS 67.A O no hydrogen 2.731 N/A THR 199.A OG1 THR 66.A O no hydrogen 2.784 N/A LEU 200.A N LYS 204.A O no hydrogen 2.850 N/A GLY 202.A N ASP 36.A OD2 no hydrogen 2.798 N/A LYS 204.A N LEU 200.A O no hydrogen 3.123 N/A TYR 205.A OH ASP 41.A OD2 no hydrogen 2.467 N/A GLY 206.A N SER 198.A O no hydrogen 2.950 N/A LEU 208.A N ILE 196.A O no hydrogen 3.011 N/A GLY 210.A N GLY 193.A O no hydrogen 2.889 N/A THR 211.A N ASN 146.A OD1 no hydrogen 2.928 N/A THR 211.A OG1 ASN 146.A OD1 no hydrogen 2.834 N/A SER 212.A OG.A HIS 64.A NE2.B no hydrogen 2.671 N/A SER 212.A OG.A SER 116.A O no hydrogen 2.872 N/A SER 212.A OG.B HIS 64.A NE2.B no hydrogen 3.297 N/A MET 213.A N GLY 210.A O no hydrogen 2.913 N/A SER 215.A N THR 211.A O no hydrogen 3.034 N/A SER 215.A OG ASN 114.A OD1 no hydrogen 2.696 N/A HIS 217.A N ALA 214.A O no hydrogen 2.981 N/A HIS 217.A ND1 MET 213.A O no hydrogen 2.769 N/A VAL 218.A N SER 215.A O no hydrogen 2.941 N/A ALA 219.A N SER 215.A O no hydrogen 2.919 N/A GLY 220.A N PRO 216.A O no hydrogen 2.826 N/A ALA 221.A N HIS 217.A O no hydrogen 2.896 N/A ALA 222.A N VAL 218.A O no hydrogen 2.902 N/A ALA 223.A N ALA 219.A O no hydrogen 3.082 N/A LEU 224.A N GLY 220.A O no hydrogen 2.958 N/A ILE 225.A N ALA 221.A O no hydrogen 2.883 N/A LEU 226.A N ALA 222.A O no hydrogen 2.896 N/A SER 227.A N ALA 223.A O no hydrogen 2.949 N/A SER 227.A OG LEU 224.A O no hydrogen 2.802 N/A LYS 228.A N LEU 224.A O no hydrogen 3.177 N/A LYS 228.A NZ GLN 19.A OE1 no hydrogen 2.654 N/A LYS 228.A NZ ALA 265.A O no hydrogen 3.480 N/A HIS 229.A N ILE 225.A O no hydrogen 2.757 N/A HIS 229.A NE2 ALA 265.A O no hydrogen 2.745 N/A TRP 232.A N HIS 229.A O no hydrogen 2.993 N/A THR 233.A N GLN 236.A OE1 no hydrogen 2.854 N/A THR 233.A OG1 GLN 236.A OE1 no hydrogen 3.416 N/A ASN 234.A ND2 VAL 134.A O no hydrogen 2.928 N/A ASN 234.A ND2 VAL 138.A O no hydrogen 2.864 N/A THR 235.A N ASN 234.A OD1 no hydrogen 2.902 N/A THR 235.A OG1 ASN 234.A OD1 no hydrogen 3.528 N/A GLN 236.A N THR 233.A OG1 no hydrogen 3.106 N/A VAL 237.A N THR 233.A O no hydrogen 2.912 N/A ARG 238.A N ASN 234.A O no hydrogen 2.917 N/A ARG 238.A NE GLU 242.A OE2 no hydrogen 2.801 N/A ARG 238.A NH1 PRO 163.A O no hydrogen 2.803 N/A ARG 238.A NH2 PRO 163.A O no hydrogen 3.141 N/A ARG 238.A NH2 ASP 188.A OD1 no hydrogen 3.558 N/A ARG 238.A NH2 ASP 188.A OD2 no hydrogen 2.923 N/A SER 239.A N THR 235.A O no hydrogen 2.846 N/A SER 239.A OG.A ASN 243.A OD1 no hydrogen 2.731 N/A SER 239.A OG.B THR 235.A O no hydrogen 3.044 N/A SER 240.A N GLN 236.A O no hydrogen 2.896 N/A SER 240.A OG.A VAL 237.A O no hydrogen 2.808 N/A SER 240.A OG.B ALA 264.A O no hydrogen 2.512 N/A LEU 241.A N VAL 237.A O no hydrogen 3.080 N/A GLU 242.A N ARG 238.A O no hydrogen 2.970 N/A ASN 243.A N SER 239.A O no hydrogen 2.791 N/A THR 244.A N SER 240.A O no hydrogen 3.294 N/A THR 244.A OG1 SER 240.A O no hydrogen 2.667 N/A THR 246.A N LEU 258.A O no hydrogen 2.803 N/A LYS 247.A NZ GLY 249.A O no hydrogen 3.275 N/A PHE 252.A N ASP 250.A OD1 no hydrogen 2.879 N/A TYR 253.A N ASP 250.A O no hydrogen 2.903 N/A TYR 254.A N ASP 250.A O no hydrogen 2.990 N/A GLY 255.A N SER 251.A O no hydrogen 2.867 N/A LYS 256.A N ASP 188.A O no hydrogen 2.866 N/A GLY 257.A N TYR 254.A O no hydrogen 2.950 N/A LEU 258.A N THR 246.A O no hydrogen 2.924 N/A ILE 259.A N MET 190.A O no hydrogen 3.155 N/A VAL 261.A N ILE 11.A O no hydrogen 2.907 N/A ALA 263.A N ASN 260.A OD1 no hydrogen 2.999 N/A ALA 264.A N ASN 260.A O no hydrogen 2.932 N/A ALA 265.A N VAL 261.A O no hydrogen 2.942 N/A GLN 266.A N ALA 263.A O no hydrogen 3.159 N/A