Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kwn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.811 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.962 N/A LEU 5.A N CYS 101.A O no hydrogen 2.950 N/A SER 6.A N TYR 27.A O no hydrogen 2.915 N/A SER 6.A OG TYR 113.A OH no hydrogen 3.172 N/A TYR 7.A N TYR 99.A O no hydrogen 2.880 N/A PHE 8.A N VAL 25.A O no hydrogen 2.974 N/A TYR 9.A N SER 97.A O no hydrogen 2.862 N/A THR 10.A N ILE 23.A O no hydrogen 2.859 N/A ALA 11.A N LEU 95.A O no hydrogen 2.861 N/A VAL 12.A N ARG 21.A O no hydrogen 3.066 N/A SER 13.A N HIS 93.A O no hydrogen 2.832 N/A SER 13.A OG HIS 93.A O no hydrogen 3.235 N/A ASP 16.A N GLU 89.A O no hydrogen 2.900 N/A ASP 19.A N ARG 17.A O no hydrogen 2.850 N/A ARG 21.A N VAL 12.A O no hydrogen 2.998 N/A ARG 21.A NH1 ASP 37.A OD1 no hydrogen 2.547 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.080 N/A PHE 22.A N ASN 38.A OD1 no hydrogen 2.629 N/A ILE 23.A N THR 10.A O no hydrogen 2.933 N/A ALA 24.A N PHE 36.A O no hydrogen 3.052 N/A VAL 25.A N PHE 8.A O no hydrogen 2.927 N/A GLY 26.A N VAL 34.A O no hydrogen 3.289 N/A TYR 27.A N SER 6.A O no hydrogen 2.843 N/A VAL 28.A N THR 31.A O no hydrogen 3.079 N/A ASP 29.A N SER 4.A O no hydrogen 2.810 N/A THR 31.A N VAL 28.A O no hydrogen 3.090 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.535 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.259 N/A PHE 33.A N GLY 26.A O no hydrogen 2.770 N/A ARG 35.A N GLU 46.A O no hydrogen 2.939 N/A ARG 35.A NE GLU 46.A OE2 no hydrogen 3.223 N/A ARG 35.A NH2 GLU 46.A OE2 no hydrogen 3.163 N/A PHE 36.A N ALA 24.A O no hydrogen 3.155 N/A ASN 38.A N PHE 22.A O no hydrogen 3.281 N/A ASN 38.A ND2 SER 20.A O no hydrogen 3.155 N/A TYR 39.A N ASP 37.A OD1 no hydrogen 2.932 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 2.756 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.810 N/A GLU 46.A N ARG 35.A O no hydrogen 2.891 N/A ARG 48.A N PHE 33.A O no hydrogen 2.848 N/A GLN 53.A N PRO 50.A O no hydrogen 3.161 N/A GLN 54.A N TRP 51.A O no hydrogen 2.946 N/A GLU 55.A N ILE 52.A O no hydrogen 2.986 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.376 N/A TRP 60.A N GLY 56.A O no hydrogen 3.462 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.832 N/A ASP 61.A N GLN 57.A O no hydrogen 2.862 N/A GLU 62.A N ASP 58.A O no hydrogen 2.983 N/A GLU 63.A N TYR 59.A O no hydrogen 2.866 N/A THR 64.A N TRP 60.A O no hydrogen 2.913 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.845 N/A ARG 65.A N ASP 61.A O no hydrogen 2.918 N/A LYS 66.A N GLU 62.A O no hydrogen 2.959 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 2.906 N/A VAL 67.A N GLU 63.A O no hydrogen 2.940 N/A LYS 68.A N THR 64.A O no hydrogen 2.936 N/A LYS 68.A NZ PRO 43.A O no hydrogen 3.493 N/A ASP 69.A N ARG 65.A O no hydrogen 3.041 N/A ASN 70.A N LYS 66.A O no hydrogen 2.922 N/A ASN 70.A ND2 TYR 9.A OH no hydrogen 3.171 N/A ALA 71.A N VAL 67.A O no hydrogen 2.900 N/A GLN 72.A N LYS 68.A O no hydrogen 3.085 N/A THR 73.A N ASP 69.A O no hydrogen 3.003 N/A THR 73.A OG1 ASP 69.A O no hydrogen 3.265 N/A TYR 74.A N ASN 70.A O no hydrogen 2.964 N/A TYR 74.A OH SER 97.A OG no hydrogen 2.701 N/A GLY 75.A N ALA 71.A O no hydrogen 3.026 N/A VAL 76.A N GLN 72.A O no hydrogen 3.027 N/A GLY 77.A N THR 73.A O no hydrogen 2.916 N/A LEU 78.A N TYR 74.A O no hydrogen 2.894 N/A ASN 79.A N GLY 75.A O no hydrogen 3.124 N/A THR 80.A N VAL 76.A O no hydrogen 2.870 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.885 N/A LEU 81.A N GLY 77.A O no hydrogen 2.903 N/A ARG 82.A N LEU 78.A O no hydrogen 2.971 N/A GLY 83.A N ASN 79.A O no hydrogen 3.005 N/A TYR 84.A N THR 80.A O no hydrogen 2.921 N/A TYR 85.A N LEU 81.A O no hydrogen 3.053 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.333 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.447 N/A ASN 86.A N GLY 83.A O no hydrogen 3.121 N/A GLN 87.A N ARG 82.A O no hydrogen 3.263 N/A ALA 90.A N SER 88.A OG no hydrogen 2.709 N/A SER 92.A OG SER 13.A O no hydrogen 2.880 N/A HIS 93.A N SER 13.A OG no hydrogen 2.519 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.865 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.808 N/A LEU 95.A N ALA 11.A O no hydrogen 2.812 N/A GLN 96.A N ALA 117.A O no hydrogen 2.883 N/A SER 97.A N TYR 9.A O no hydrogen 2.931 N/A SER 97.A OG TYR 74.A OH no hydrogen 2.701 N/A SER 97.A OG ASP 116.A OD1 no hydrogen 2.592 N/A MET 98.A N GLN 115.A O no hydrogen 2.925 N/A TYR 99.A N TYR 7.A O no hydrogen 3.050 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.725 N/A GLY 100.A N TYR 113.A O no hydrogen 3.008 N/A CYS 101.A N LEU 5.A O no hydrogen 2.930 N/A TYR 102.A N HIS 111.A O no hydrogen 2.936 N/A LEU 103.A N HIS 3.A O no hydrogen 2.959 N/A GLY 104.A N LEU 108.A O no hydrogen 2.624 N/A GLY 107.A N GLY 104.A O no hydrogen 2.999 N/A LEU 110.A N TYR 102.A O no hydrogen 2.648 N/A TYR 113.A N GLY 100.A O no hydrogen 2.936 N/A TYR 113.A OH SER 6.A OG no hydrogen 3.172 N/A ARG 114.A NE ASP 116.A OD1 no hydrogen 3.084 N/A ARG 114.A NH2 ASP 116.A OD1 no hydrogen 3.566 N/A ARG 114.A NH2 ASP 116.A OD2 no hydrogen 3.101 N/A GLN 115.A N MET 98.A O no hydrogen 2.896 N/A ASP 116.A N ILE 124.A O no hydrogen 2.844 N/A ALA 117.A N GLN 96.A O no hydrogen 2.904 N/A TYR 118.A N ALA 121.A O no hydrogen 2.866 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.708 N/A ASP 119.A N THR 94.A O no hydrogen 2.681 N/A ALA 121.A N TYR 118.A O no hydrogen 2.864 N/A TYR 123.A N ASP 116.A O no hydrogen 2.722 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.558 N/A ILE 124.A N ASP 116.A O no hydrogen 3.021 N/A ALA 125.A N THR 134.A O no hydrogen 2.971 N/A LEU 126.A N ARG 114.A O no hydrogen 2.874 N/A ASN 127.A N SER 132.A O no hydrogen 2.915 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 3.165 N/A LEU 130.A N ASN 127.A O no hydrogen 2.858 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.921 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.908 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.990 N/A THR 134.A N ALA 125.A O no hydrogen 2.860 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.459 N/A ALA 136.A N TYR 123.A O no hydrogen 2.879 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.060 N/A GLN 141.A N MET 138.A O no hydrogen 3.219 N/A THR 143.A N ALA 139.A O no hydrogen 3.175 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.558 N/A LYS 144.A N ALA 140.A O no hydrogen 2.826 N/A LYS 144.A NZ GLN 141.A OE1 no hydrogen 3.248 N/A ARG 145.A N GLN 141.A O no hydrogen 2.947 N/A LYS 146.A N ILE 142.A O no hydrogen 3.092 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 3.223 N/A TRP 147.A N THR 143.A O no hydrogen 2.912 N/A GLU 148.A N LYS 144.A O no hydrogen 2.844 N/A ALA 149.A N ARG 145.A O no hydrogen 3.016 N/A ALA 150.A N LYS 146.A O no hydrogen 3.163 N/A ASN 151.A N GLU 148.A O no hydrogen 2.993 N/A VAL 152.A N TRP 147.A O no hydrogen 2.927 N/A GLU 154.A N ASN 151.A O no hydrogen 3.216 N/A ARG 156.A N VAL 152.A O no hydrogen 3.098 N/A ARG 157.A N ALA 153.A O no hydrogen 2.824 N/A ARG 157.A NE LEU 130.A O no hydrogen 3.296 N/A SER 158.A N GLU 154.A O no hydrogen 2.878 N/A SER 158.A OG GLU 154.A O no hydrogen 3.303 N/A SER 158.A OG ARG 155.A O no hydrogen 3.237 N/A TYR 159.A N ARG 155.A O no hydrogen 3.079 N/A LEU 160.A N ARG 156.A O no hydrogen 2.940 N/A GLN 161.A N ARG 157.A O no hydrogen 2.842 N/A GLY 162.A N SER 158.A O no hydrogen 2.941 N/A GLY 162.A N TYR 159.A O no hydrogen 3.229 N/A CYS 164.A N TYR 159.A O no hydrogen 2.896 N/A CYS 164.A SG TYR 159.A OH no hydrogen 3.909 N/A GLU 166.A N GLY 162.A O no hydrogen 3.271 N/A SER 167.A N LEU 163.A O no hydrogen 2.907 N/A SER 167.A OG LEU 163.A O no hydrogen 3.304 N/A SER 167.A OG CYS 164.A O no hydrogen 2.873 N/A LEU 168.A N CYS 164.A O no hydrogen 2.920 N/A ARG 169.A N VAL 165.A O no hydrogen 2.921 N/A ARG 169.A NH2 GLU 166.A OE1 no hydrogen 3.349 N/A ARG 170.A N GLU 166.A O no hydrogen 3.055 N/A ARG 170.A NE GLU 55.A OE1 no hydrogen 2.946 N/A ARG 170.A NH1 GLU 55.A OE1 no hydrogen 2.886 N/A TYR 171.A N SER 167.A O no hydrogen 2.806 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.376 N/A LEU 172.A N LEU 168.A O no hydrogen 2.930 N/A GLU 173.A N ARG 169.A O no hydrogen 3.024 N/A MET 174.A N ARG 170.A O no hydrogen 2.907 N/A GLY 175.A N TYR 171.A O no hydrogen 3.054 N/A LYS 176.A N GLU 173.A O no hydrogen 3.133 N/A THR 178.A N GLY 175.A O no hydrogen 3.013 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.143 N/A LEU 179.A N GLY 175.A O no hydrogen 2.829 N/A ARG 181.A NH1 ASP 177.A O no hydrogen 2.824 N/A GLU 183.A N TYR 209.A O no hydrogen 2.715 N/A LYS 186.A N LEU 206.A O no hydrogen 2.931 N/A THR 190.A N ARG 202.A O no hydrogen 2.859 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 3.187 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.508 N/A ARG 191.A NE GLU 254.A OE2 no hydrogen 2.874 N/A ARG 191.A NH2 GLU 254.A OE2 no hydrogen 3.464 N/A HIS 192.A N THR 200.A O no hydrogen 2.773 N/A SER 194.A N GLY 198.A O no hydrogen 3.318 N/A SER 194.A OG HIS 192.A O no hydrogen 3.332 N/A SER 195.A N GLY 198.A O no hydrogen 3.146 N/A SER 195.A OG SER 195.A O no hydrogen 2.093 N/A GLY 198.A N SER 195.A O no hydrogen 3.159 N/A VAL 199.A N VAL 249.A O no hydrogen 2.928 N/A THR 200.A N HIS 192.A O no hydrogen 2.859 N/A LEU 201.A N LEU 247.A O no hydrogen 2.888 N/A ARG 202.A N THR 190.A O no hydrogen 2.972 N/A ARG 202.A NH2 GLU 229.A OE1 no hydrogen 3.267 N/A CYS 203.A N ALA 245.A O no hydrogen 2.867 N/A TRP 204.A N HIS 188.A O no hydrogen 2.928 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 3.001 N/A ALA 205.A N LYS 243.A O no hydrogen 2.879 N/A LEU 206.A N LYS 186.A O no hydrogen 2.957 N/A GLY 207.A N PHE 241.A O no hydrogen 2.960 N/A PHE 208.A N PHE 241.A O no hydrogen 3.299 N/A TYR 209.A N GLU 183.A O no hydrogen 2.977 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.535 N/A LYS 211.A N ASP 30.A OD2 no hydrogen 2.869 N/A SER 214.A N GLN 262.A O no hydrogen 2.947 N/A THR 216.A N HIS 260.A O no hydrogen 2.999 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.812 N/A GLN 218.A N THR 258.A O no hydrogen 2.891 N/A GLU 220.A N SER 256.A O no hydrogen 3.158 N/A GLN 222.A N ARG 219.A O no hydrogen 3.025 N/A GLN 224.A N GLN 224.A OE1 no hydrogen 2.792 N/A GLN 226.A N TRP 217.A O no hydrogen 2.848 N/A GLN 226.A NE2 GLN 222.A OE1 no hydrogen 2.779 N/A GLU 229.A N ALA 246.A O no hydrogen 2.885 N/A VAL 231.A N TRP 244.A O no hydrogen 3.406 N/A ARG 234.A N GLN 242.A O no hydrogen 2.992 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.085 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 2.934 N/A SER 236.A N THR 240.A O no hydrogen 2.952 N/A SER 236.A OG THR 240.A OG1 no hydrogen 2.737 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.174 N/A THR 240.A OG1 SER 236.A OG no hydrogen 2.737 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.924 N/A PHE 241.A N PHE 208.A O no hydrogen 2.811 N/A GLN 242.A N ARG 234.A O no hydrogen 2.849 N/A LYS 243.A N ALA 205.A O no hydrogen 2.920 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.733 N/A ALA 245.A N CYS 203.A O no hydrogen 2.982 N/A ALA 246.A N GLU 229.A O no hydrogen 3.006 N/A LEU 247.A N LEU 201.A O no hydrogen 2.993 N/A VAL 249.A N VAL 199.A O no hydrogen 2.840 N/A GLU 253.A N PRO 250.A O no hydrogen 3.232 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.465 N/A SER 256.A N GLU 253.A O no hydrogen 3.064 N/A SER 256.A OG GLU 253.A O no hydrogen 3.031 N/A TYR 257.A N GLU 254.A O no hydrogen 3.187 N/A THR 258.A N GLN 218.A O no hydrogen 2.913 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.664 N/A CYS 259.A N LEU 272.A O no hydrogen 2.807 N/A HIS 260.A N THR 216.A O no hydrogen 2.841 N/A VAL 261.A N LEU 270.A O no hydrogen 2.905 N/A GLN 262.A N SER 214.A O no hydrogen 2.907 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.964 N/A GLU 264.A N GLU 264.A OE1 no hydrogen 3.072 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.203 N/A LEU 266.A N HIS 263.A O no hydrogen 2.844 N/A LEU 270.A N VAL 261.A O no hydrogen 2.961 N/A LEU 272.A N CYS 259.A O no hydrogen 2.931 N/A ARG 273.A NH1 GLN 255.A OE1 no hydrogen 2.902 N/A