Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kwo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.727 N/A HIS 2.A NE2 GLN 179.A OE1 no hydrogen 2.928 N/A SER 3.A N ASP 28.A OD1 no hydrogen 2.885 N/A LEU 4.A N CYS 100.A O no hydrogen 2.918 N/A SER 5.A N TYR 26.A O no hydrogen 2.912 N/A TYR 6.A N PHE 98.A O no hydrogen 2.858 N/A PHE 7.A N VAL 24.A O no hydrogen 2.910 N/A TYR 8.A N SER 96.A O no hydrogen 2.859 N/A THR 9.A N ILE 22.A O no hydrogen 2.891 N/A ALA 10.A N LEU 94.A O no hydrogen 2.886 N/A VAL 11.A N ARG 20.A O no hydrogen 2.872 N/A SER 12.A N HIS 92.A O no hydrogen 2.857 N/A SER 12.A OG HIS 92.A O no hydrogen 3.429 N/A ARG 13.A NH1 ASP 15.A OD1 no hydrogen 3.388 N/A GLY 17.A N ASP 15.A O no hydrogen 2.679 N/A ARG 20.A N VAL 11.A O no hydrogen 2.899 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 2.900 N/A ARG 20.A NE ASP 36.A OD2 no hydrogen 3.451 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.782 N/A PHE 21.A N ASN 37.A OD1 no hydrogen 2.790 N/A ILE 22.A N THR 9.A O no hydrogen 2.893 N/A ALA 23.A N PHE 35.A O no hydrogen 2.839 N/A VAL 24.A N PHE 7.A O no hydrogen 2.974 N/A GLY 25.A N VAL 33.A O no hydrogen 3.047 N/A TYR 26.A N SER 5.A O no hydrogen 2.841 N/A VAL 27.A N THR 30.A O no hydrogen 2.892 N/A ASP 28.A N SER 3.A O no hydrogen 2.922 N/A ASP 29.A N TYR 208.A OH no hydrogen 3.323 N/A THR 30.A N VAL 27.A O no hydrogen 2.898 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.664 N/A GLN 31.A NE2 VAL 33.A O no hydrogen 3.242 N/A PHE 32.A N GLY 25.A O no hydrogen 2.887 N/A ARG 34.A N GLU 45.A O no hydrogen 3.135 N/A ARG 34.A NE GLU 45.A OE1 no hydrogen 2.837 N/A ARG 34.A NH1 GLU 45.A OE1 no hydrogen 2.591 N/A PHE 35.A N ALA 23.A O no hydrogen 2.797 N/A ASN 37.A N PHE 21.A O no hydrogen 3.120 N/A ASN 37.A ND2 SER 19.A O no hydrogen 3.079 N/A TYR 38.A N ASP 36.A OD1 no hydrogen 2.973 N/A TYR 38.A OH ASP 18.A OD2 no hydrogen 2.979 N/A ARG 43.A NH2 ASP 60.A OD1 no hydrogen 2.366 N/A MET 44.A N THR 63.A OG1 no hydrogen 2.990 N/A GLU 45.A N ARG 34.A O no hydrogen 2.904 N/A ARG 47.A N PHE 32.A O no hydrogen 2.868 N/A GLN 52.A N PRO 49.A O no hydrogen 2.910 N/A GLN 53.A N TRP 50.A O no hydrogen 2.940 N/A GLU 54.A N ILE 51.A O no hydrogen 3.001 N/A TYR 58.A N GLY 55.A O no hydrogen 3.066 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.503 N/A ASP 60.A N GLN 56.A O no hydrogen 2.905 N/A GLU 61.A N ASP 57.A O no hydrogen 2.968 N/A GLU 62.A N TYR 58.A O no hydrogen 2.916 N/A THR 63.A N TRP 59.A O no hydrogen 2.888 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.699 N/A ARG 64.A N ASP 60.A O no hydrogen 2.946 N/A ARG 64.A NE GLU 61.A OE1 no hydrogen 3.159 N/A ARG 64.A NH2 GLU 61.A OE2 no hydrogen 2.588 N/A LYS 65.A N GLU 61.A O no hydrogen 3.017 N/A LYS 65.A NZ GLU 61.A OE2 no hydrogen 3.213 N/A VAL 66.A N GLU 62.A O no hydrogen 2.937 N/A LYS 67.A N THR 63.A O no hydrogen 2.906 N/A ASP 68.A N ARG 64.A O no hydrogen 3.054 N/A ASN 69.A N LYS 65.A O no hydrogen 2.925 N/A ASN 69.A ND2 TYR 8.A OH no hydrogen 2.870 N/A ALA 70.A N VAL 66.A O no hydrogen 2.874 N/A GLN 71.A N LYS 67.A O no hydrogen 3.053 N/A THR 72.A N ASP 68.A O no hydrogen 3.037 N/A THR 72.A OG1 ASP 68.A O no hydrogen 3.266 N/A TYR 73.A N ASN 69.A O no hydrogen 2.936 N/A TYR 73.A OH SER 96.A OG no hydrogen 2.614 N/A GLY 74.A N ALA 70.A O no hydrogen 2.925 N/A VAL 75.A N GLN 71.A O no hydrogen 3.077 N/A GLY 76.A N THR 72.A O no hydrogen 2.936 N/A LEU 77.A N TYR 73.A O no hydrogen 2.960 N/A THR 79.A N VAL 75.A O no hydrogen 3.003 N/A THR 79.A OG1 VAL 75.A O no hydrogen 3.111 N/A LEU 80.A N GLY 76.A O no hydrogen 2.907 N/A ARG 81.A N LEU 77.A O no hydrogen 2.935 N/A GLY 82.A N ASN 78.A O no hydrogen 2.973 N/A TYR 83.A N THR 79.A O no hydrogen 2.931 N/A TYR 84.A N LEU 80.A O no hydrogen 3.107 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 3.174 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.609 N/A ASN 85.A N GLY 82.A O no hydrogen 3.097 N/A GLN 86.A N ARG 81.A O no hydrogen 3.012 N/A ALA 89.A N SER 87.A OG no hydrogen 3.274 N/A SER 91.A OG SER 12.A O no hydrogen 2.859 N/A HIS 92.A N SER 12.A OG no hydrogen 2.767 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.782 N/A THR 93.A N ASP 118.A OD1 no hydrogen 3.055 N/A LEU 94.A N ALA 10.A O no hydrogen 2.849 N/A GLN 95.A N ALA 116.A O no hydrogen 2.893 N/A SER 96.A N TYR 8.A O no hydrogen 2.971 N/A SER 96.A OG TYR 73.A OH no hydrogen 2.614 N/A SER 96.A OG ASP 115.A OD1 no hydrogen 2.569 N/A MET 97.A N GLN 114.A O no hydrogen 2.924 N/A PHE 98.A N TYR 6.A O no hydrogen 3.043 N/A GLY 99.A N TYR 112.A O no hydrogen 2.968 N/A CYS 100.A N LEU 4.A O no hydrogen 2.918 N/A TYR 101.A N HIS 110.A O no hydrogen 2.856 N/A LEU 102.A N HIS 2.A O no hydrogen 2.868 N/A GLY 103.A N LEU 107.A O no hydrogen 2.684 N/A GLY 106.A N GLY 103.A O no hydrogen 3.124 N/A LEU 107.A N ASP 105.A OD1 no hydrogen 3.029 N/A LEU 109.A N TYR 101.A O no hydrogen 2.810 N/A TYR 112.A N GLY 99.A O no hydrogen 2.942 N/A ARG 113.A NE ASP 115.A OD1 no hydrogen 2.762 N/A ARG 113.A NH2 ASP 115.A OD1 no hydrogen 3.419 N/A ARG 113.A NH2 ASP 115.A OD2 no hydrogen 2.950 N/A GLN 114.A N MET 97.A O no hydrogen 2.898 N/A ASP 115.A N ILE 123.A O no hydrogen 2.864 N/A ALA 116.A N GLN 95.A O no hydrogen 2.902 N/A TYR 117.A N ALA 120.A O no hydrogen 2.990 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.541 N/A ASP 118.A N THR 93.A O no hydrogen 2.817 N/A ALA 120.A N TYR 117.A O no hydrogen 3.060 N/A TYR 122.A N ASP 115.A O no hydrogen 2.789 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.732 N/A ILE 123.A N ASP 115.A O no hydrogen 3.042 N/A ALA 124.A N THR 133.A O no hydrogen 2.980 N/A LEU 125.A N ARG 113.A O no hydrogen 2.909 N/A ASN 126.A N SER 131.A O no hydrogen 2.864 N/A ASN 126.A ND2 SER 131.A OG no hydrogen 2.815 N/A LEU 129.A N ASN 126.A O no hydrogen 3.036 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 3.034 N/A ARG 130.A NH1 ASP 128.A O no hydrogen 3.042 N/A SER 131.A OG ASP 128.A OD1 no hydrogen 3.046 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 3.282 N/A THR 133.A N ALA 124.A O no hydrogen 2.875 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.399 N/A ALA 135.A N TYR 122.A O no hydrogen 3.023 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 3.078 N/A GLN 140.A N ASP 136.A O no hydrogen 3.170 N/A ILE 141.A N MET 137.A O no hydrogen 3.400 N/A THR 142.A N ALA 138.A O no hydrogen 3.155 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.732 N/A LYS 143.A N ALA 139.A O no hydrogen 2.792 N/A LYS 143.A NZ GLU 147.A OE2 no hydrogen 2.746 N/A ARG 144.A N GLN 140.A O no hydrogen 2.910 N/A LYS 145.A N ILE 141.A O no hydrogen 3.023 N/A TRP 146.A N THR 142.A O no hydrogen 2.894 N/A GLU 147.A N LYS 143.A O no hydrogen 2.849 N/A ALA 148.A N ARG 144.A O no hydrogen 2.977 N/A ALA 149.A N LYS 145.A O no hydrogen 3.145 N/A ASN 150.A N GLU 147.A O no hydrogen 3.195 N/A VAL 151.A N TRP 146.A O no hydrogen 2.987 N/A GLU 153.A N ASN 150.A O no hydrogen 3.254 N/A ARG 155.A N VAL 151.A O no hydrogen 3.064 N/A ARG 156.A N ALA 152.A O no hydrogen 2.835 N/A ARG 156.A NH2 GLN 160.A OE1 no hydrogen 3.099 N/A SER 157.A N GLU 153.A O no hydrogen 2.850 N/A TYR 158.A N ARG 154.A O no hydrogen 3.031 N/A LEU 159.A N ARG 155.A O no hydrogen 2.911 N/A GLN 160.A N ARG 156.A O no hydrogen 2.888 N/A GLY 161.A N SER 157.A O no hydrogen 2.961 N/A GLY 161.A N TYR 158.A O no hydrogen 3.194 N/A CYS 163.A N TYR 158.A O no hydrogen 2.920 N/A CYS 163.A SG TYR 158.A OH no hydrogen 3.840 N/A GLU 165.A N GLY 161.A O no hydrogen 3.025 N/A SER 166.A N LEU 162.A O no hydrogen 2.875 N/A SER 166.A OG LEU 162.A O no hydrogen 2.861 N/A SER 166.A OG CYS 163.A O no hydrogen 2.946 N/A LEU 167.A N CYS 163.A O no hydrogen 2.945 N/A ARG 168.A N VAL 164.A O no hydrogen 2.902 N/A ARG 169.A N GLU 165.A O no hydrogen 3.007 N/A TYR 170.A N SER 166.A O no hydrogen 2.878 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.503 N/A LEU 171.A N LEU 167.A O no hydrogen 2.897 N/A GLU 172.A N ARG 168.A O no hydrogen 3.021 N/A MET 173.A N ARG 169.A O no hydrogen 2.873 N/A GLY 174.A N TYR 170.A O no hydrogen 2.793 N/A LYS 175.A N GLU 172.A O no hydrogen 3.242 N/A LYS 175.A NZ GLU 172.A OE1 no hydrogen 3.555 N/A THR 177.A N GLY 174.A O no hydrogen 3.006 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.362 N/A LEU 178.A N GLY 174.A O no hydrogen 2.785 N/A ARG 180.A N THR 177.A O no hydrogen 3.077 N/A ARG 180.A NE GLU 182.A OE2 no hydrogen 2.792 N/A ARG 180.A NH2 GLU 182.A OE1 no hydrogen 3.048 N/A ARG 180.A NH2 GLU 182.A OE2 no hydrogen 3.263 N/A GLU 182.A N TYR 208.A O no hydrogen 2.806 N/A LYS 185.A N LEU 205.A O no hydrogen 2.885 N/A HIS 187.A N TRP 203.A O no hydrogen 3.071 N/A THR 189.A N ARG 201.A O no hydrogen 2.873 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 2.823 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.470 N/A ARG 190.A NE GLU 253.A OE2 no hydrogen 2.893 N/A ARG 190.A NH2 GLU 253.A OE2 no hydrogen 3.524 N/A HIS 191.A N THR 199.A O no hydrogen 2.844 N/A HIS 191.A NE2 THR 189.A OG1 no hydrogen 2.823 N/A LEU 196.A N SER 194.A OG no hydrogen 3.419 N/A GLY 197.A N SER 194.A O no hydrogen 3.174 N/A VAL 198.A N VAL 248.A O no hydrogen 2.879 N/A THR 199.A N HIS 191.A O no hydrogen 2.913 N/A LEU 200.A N LEU 246.A O no hydrogen 2.876 N/A ARG 201.A N THR 189.A O no hydrogen 2.938 N/A ARG 201.A NH2 GLU 228.A OE1 no hydrogen 3.165 N/A CYS 202.A N ALA 244.A O no hydrogen 2.812 N/A TRP 203.A N HIS 187.A O no hydrogen 2.843 N/A TRP 203.A NE1 THR 189.A OG1 no hydrogen 2.926 N/A ALA 204.A N LYS 242.A O no hydrogen 2.916 N/A LEU 205.A N LYS 185.A O no hydrogen 2.894 N/A PHE 207.A N PHE 240.A O no hydrogen 3.150 N/A TYR 208.A N GLU 182.A O no hydrogen 3.057 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.664 N/A LYS 210.A N ASP 29.A OD2 no hydrogen 2.987 N/A LYS 210.A NZ ASP 29.A OD1 no hydrogen 2.587 N/A LYS 210.A NZ ASP 29.A OD2 no hydrogen 3.524 N/A LYS 210.A NZ GLU 211.A OE2 no hydrogen 3.058 N/A SER 213.A N GLN 261.A O no hydrogen 2.952 N/A THR 215.A N HIS 259.A O no hydrogen 2.980 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.940 N/A GLN 217.A N THR 257.A O no hydrogen 2.840 N/A GLU 219.A N SER 255.A O no hydrogen 2.917 N/A GLN 221.A N ARG 218.A O no hydrogen 3.086 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.732 N/A GLN 225.A N TRP 216.A O no hydrogen 2.867 N/A GLN 225.A NE2 GLN 221.A OE1 no hydrogen 2.863 N/A GLU 228.A N ALA 245.A O no hydrogen 2.707 N/A VAL 230.A N TRP 243.A O no hydrogen 3.399 N/A ARG 233.A N GLN 241.A O no hydrogen 3.044 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 3.017 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 2.902 N/A SER 235.A N THR 239.A O no hydrogen 2.872 N/A SER 235.A OG THR 239.A OG1 no hydrogen 2.966 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.145 N/A THR 239.A OG1 SER 235.A OG no hydrogen 2.966 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.753 N/A PHE 240.A N PHE 207.A O no hydrogen 2.792 N/A GLN 241.A N ARG 233.A O no hydrogen 2.806 N/A LYS 242.A N ALA 204.A O no hydrogen 2.930 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.885 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.169 N/A ALA 244.A N CYS 202.A O no hydrogen 2.963 N/A ALA 245.A N GLU 228.A O no hydrogen 2.713 N/A LEU 246.A N LEU 200.A O no hydrogen 2.976 N/A VAL 248.A N VAL 198.A O no hydrogen 2.872 N/A GLU 252.A N PRO 249.A O no hydrogen 3.065 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.934 N/A SER 255.A N GLU 252.A O no hydrogen 3.174 N/A SER 255.A OG GLU 252.A O no hydrogen 2.912 N/A TYR 256.A N GLU 253.A O no hydrogen 3.275 N/A THR 257.A N GLN 217.A O no hydrogen 2.898 N/A THR 257.A OG1 HIS 259.A NE2 no hydrogen 2.866 N/A CYS 258.A N LEU 271.A O no hydrogen 2.861 N/A HIS 259.A N THR 215.A O no hydrogen 2.801 N/A HIS 259.A NE2 THR 257.A OG1 no hydrogen 2.866 N/A VAL 260.A N LEU 269.A O no hydrogen 2.887 N/A GLN 261.A N SER 213.A O no hydrogen 2.928 N/A HIS 262.A NE2 PRO 209.A O no hydrogen 2.912 N/A GLY 264.A N HIS 262.A ND1 no hydrogen 2.958 N/A LEU 265.A N HIS 262.A O no hydrogen 3.052 N/A LEU 269.A N VAL 260.A O no hydrogen 3.037 N/A THR 270.A OG1 HIS 259.A ND1 no hydrogen 3.313 N/A LEU 271.A N CYS 258.A O no hydrogen 2.847 N/A ARG 272.A NE GLN 254.A OE1 no hydrogen 3.318 N/A ARG 272.A NH2 GLN 254.A O no hydrogen 2.835 N/A