Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4puu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1.A LYS 12.A O no hydrogen 3.467 N/A ARG 4.A NH2.A GLU 72.A O no hydrogen 2.743 N/A ILE 5.A N MET 13.A O no hydrogen 2.839 N/A LEU 7.A N ALA 11.A O no hydrogen 2.807 N/A ASN 8.A ND2 PRO 180.A O no hydrogen 3.145 N/A ASN 9.A ND2 LYS 155.A O no hydrogen 2.926 N/A GLY 10.A N LEU 7.A O no hydrogen 2.991 N/A ALA 11.A N ASN 9.A OD1 no hydrogen 2.916 N/A MET 13.A N ILE 5.A O no hydrogen 2.832 N/A ILE 15.A N SER 3.A O no hydrogen 2.917 N/A GLY 17.A N VAL 260.A O no hydrogen 2.952 N/A LEU 18.A N HIS 42.A O no hydrogen 2.887 N/A GLY 19.A N PRO 262.A O no hydrogen 2.960 N/A THR 20.A OG1 ASP 44.A O no hydrogen 2.682 N/A LYS 22.A NZ TRP 21.A O no hydrogen 2.858 N/A LYS 22.A NZ ASP 217.A OD1 no hydrogen 2.906 N/A LYS 22.A NZ ASP 217.A OD2 no hydrogen 3.200 N/A SER 23.A N THR 20.A O no hydrogen 3.246 N/A GLN 27.A N PRO 24.A O no hydrogen 2.907 N/A VAL 28.A N PRO 24.A O no hydrogen 2.880 N/A THR 29.A OG1 GLU 54.A O no hydrogen 2.752 N/A ALA 31.A N GLN 27.A O no hydrogen 3.055 N/A VAL 32.A N VAL 28.A O no hydrogen 2.964 N/A LYS 33.A N THR 29.A O no hydrogen 3.018 N/A VAL 34.A N GLU 30.A O no hydrogen 2.860 N/A ALA 35.A N ALA 31.A O no hydrogen 2.880 N/A ILE 36.A N VAL 32.A O no hydrogen 2.952 N/A ASP 37.A N LYS 33.A O no hydrogen 2.909 N/A VAL 38.A N VAL 34.A O no hydrogen 2.918 N/A VAL 38.A N ALA 35.A O no hydrogen 3.198 N/A GLY 39.A N ILE 36.A O no hydrogen 3.179 N/A TYR 40.A N ALA 35.A O no hydrogen 2.888 N/A TYR 40.A OH ILE 270.A O no hydrogen 2.744 N/A ARG 41.A NH1 ILE 36.A O no hydrogen 3.092 N/A ARG 41.A NH1 TYR 40.A O no hydrogen 2.821 N/A HIS 42.A ND1 PRO 14.A O no hydrogen 3.028 N/A ILE 43.A N PHE 74.A O no hydrogen 3.169 N/A ASP 44.A N LEU 18.A O no hydrogen 2.854 N/A CYS 45.A N VAL 76.A O no hydrogen 2.838 N/A CYS 45.A SG ILE 43.A O no hydrogen 4.048 N/A TYR 49.A N ALA 46.A O no hydrogen 3.050 N/A GLN 50.A N HIS 47.A O no hydrogen 3.098 N/A ASN 51.A ND2 THR 20.A O no hydrogen 2.939 N/A ASN 51.A ND2 SER 23.A O no hydrogen 3.055 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.761 N/A VAL 55.A N ASN 51.A O no hydrogen 3.009 N/A GLY 56.A N GLU 52.A O no hydrogen 2.866 N/A VAL 57.A N ASN 53.A O no hydrogen 3.014 N/A ILE 59.A N VAL 55.A O no hydrogen 3.101 N/A GLN 60.A N GLY 56.A O no hydrogen 2.892 N/A GLU 61.A N VAL 57.A O no hydrogen 3.014 N/A LYS 62.A N ALA 58.A O no hydrogen 3.055 N/A LYS 62.A NZ ASP 37.A OD1 no hydrogen 2.770 N/A LYS 62.A NZ ASP 37.A OD2 no hydrogen 3.024 N/A LYS 62.A NZ GLU 65.A OE1 no hydrogen 2.886 N/A LEU 63.A N ILE 59.A O no hydrogen 2.942 N/A ARG 64.A N GLN 60.A O no hydrogen 2.838 N/A GLU 65.A N GLU 61.A O no hydrogen 2.750 N/A GLN 66.A N LEU 63.A O no hydrogen 3.038 N/A VAL 67.A N LYS 62.A O no hydrogen 2.983 N/A LYS 69.A N GLU 72.A OE1 no hydrogen 2.933 N/A ARG 70.A NH1 ARG 70.A O no hydrogen 2.941 N/A ARG 70.A NH1 LEU 73.A O no hydrogen 3.189 N/A ARG 70.A NH1 ASP 106.A OD2 no hydrogen 2.966 N/A ARG 70.A NH2 TYR 104.A O no hydrogen 2.856 N/A ARG 70.A NH2 ASP 106.A OD2 no hydrogen 2.919 N/A GLU 72.A N LYS 69.A O no hydrogen 2.916 N/A LEU 73.A N ARG 70.A O no hydrogen 3.027 N/A PHE 74.A N ARG 41.A O no hydrogen 2.693 N/A ILE 75.A N ASP 106.A OD2 no hydrogen 2.849 N/A VAL 76.A N ILE 43.A O no hydrogen 3.068 N/A SER 77.A N LEU 107.A O no hydrogen 3.102 N/A SER 77.A OG GLU 52.A OE2 no hydrogen 2.597 N/A LYS 78.A N SER 77.A OG no hydrogen 2.689 N/A LYS 78.A NZ ASP 44.A OD1 no hydrogen 3.361 N/A LYS 78.A NZ ASP 44.A OD2 no hydrogen 2.660 N/A LYS 78.A NZ CYS 45.A O no hydrogen 2.884 N/A LYS 78.A NZ TYR 49.A OH no hydrogen 3.121 N/A LEU 79.A N LEU 109.A O no hydrogen 2.769 N/A TRP 80.A NE1 PHE 122.A O no hydrogen 2.871 N/A CYS 81.A SG THR 114.A O no hydrogen 3.207 N/A TYR 83.A N TRP 80.A O no hydrogen 2.980 N/A LEU 88.A N GLU 85.A O no hydrogen 2.924 N/A LYS 90.A NZ GLU 151.A OE2 no hydrogen 3.138 N/A ALA 92.A N LEU 88.A O no hydrogen 3.058 N/A CYS 93.A N VAL 89.A O no hydrogen 3.009 N/A GLN 94.A N LYS 90.A O no hydrogen 2.828 N/A LYS 95.A N GLY 91.A O no hydrogen 2.904 N/A LYS 95.A NZ ASP 99.A OD1 no hydrogen 2.850 N/A LYS 95.A NZ ASP 99.A OD2 no hydrogen 3.347 N/A THR 96.A N ALA 92.A O no hydrogen 3.151 N/A THR 96.A OG1 GLU 52.A OE1 no hydrogen 2.690 N/A LEU 97.A N CYS 93.A O no hydrogen 2.859 N/A SER 98.A N GLN 94.A O no hydrogen 2.867 N/A SER 98.A OG.B GLN 94.A O no hydrogen 3.049 N/A ASP 99.A N LYS 95.A O no hydrogen 2.920 N/A LEU 100.A N THR 96.A O no hydrogen 2.849 N/A LYS 101.A N SER 98.A O no hydrogen 3.217 N/A LYS 101.A NZ ASN 53.A O no hydrogen 2.976 N/A LYS 101.A NZ ASP 99.A O no hydrogen 2.692 N/A LEU 102.A N LEU 97.A O no hydrogen 3.002 N/A LEU 105.A N LEU 153.A O no hydrogen 2.952 N/A ASP 106.A N ILE 75.A O no hydrogen 2.966 N/A LEU 107.A N ILE 75.A O no hydrogen 3.343 N/A TYR 108.A N ALA 156.A O no hydrogen 3.021 N/A LEU 109.A N SER 77.A O no hydrogen 2.934 N/A ILE 110.A N GLY 158.A O no hydrogen 2.936 N/A HIS 111.A N LEU 79.A O no hydrogen 3.146 N/A PHE 116.A N CYS 81.A O no hydrogen 2.841 N/A LYS 117.A N VAL 132.A O no hydrogen 2.869 N/A ASP 126.A N ASN 130.A O no hydrogen 2.806 N/A SER 128.A N ASP 126.A OD1 no hydrogen 3.023 N/A GLY 129.A N ASP 126.A O no hydrogen 2.966 N/A ASN 130.A N ASP 126.A OD1 no hydrogen 2.976 N/A ASN 130.A ND2 ASP 126.A OD2 no hydrogen 3.506 N/A VAL 132.A N PRO 124.A O no hydrogen 2.846 N/A SER 134.A N GLY 115.A O no hydrogen 2.990 N/A THR 136.A N SER 134.A OG no hydrogen 3.068 N/A LEU 139.A N ASN 137.A OD1 no hydrogen 2.820 N/A ASP 140.A N ASN 137.A O no hydrogen 2.869 N/A THR 141.A N ASN 137.A O no hydrogen 3.112 N/A THR 141.A OG1 HIS 84.A O no hydrogen 2.855 N/A THR 141.A OG1 ASN 137.A O no hydrogen 3.544 N/A TRP 142.A N ILE 138.A O no hydrogen 2.831 N/A TRP 142.A NE1 TYR 178.A O no hydrogen 2.930 N/A ALA 143.A N LEU 139.A O no hydrogen 3.042 N/A ALA 144.A N ASP 140.A O no hydrogen 3.081 N/A MET 145.A N THR 141.A O no hydrogen 2.959 N/A GLU 146.A N TRP 142.A O no hydrogen 2.888 N/A GLU 147.A N ALA 143.A O no hydrogen 3.143 N/A LEU 148.A N MET 145.A O no hydrogen 2.999 N/A ASP 150.A N GLU 146.A O no hydrogen 3.211 N/A GLU 151.A N GLU 147.A O no hydrogen 2.918 N/A GLY 152.A N VAL 149.A O no hydrogen 3.108 N/A LEU 153.A N LEU 148.A O no hydrogen 3.036 N/A LYS 155.A N LEU 105.A O no hydrogen 2.845 N/A GLY 158.A N TYR 108.A O no hydrogen 2.965 N/A ILE 159.A N VAL 182.A O no hydrogen 2.904 N/A SER 160.A OG HIS 111.A O no hydrogen 3.459 N/A SER 160.A OG GLN 184.A O no hydrogen 2.761 N/A ASN 161.A N GLN 184.A O no hydrogen 2.976 N/A ASN 161.A ND2 HIS 111.A O no hydrogen 2.990 N/A ASN 163.A N GLN 166.A OE1 no hydrogen 2.922 N/A ASN 163.A ND2 PRO 311.A O no hydrogen 2.965 N/A HIS 164.A N PHE 316.A O no hydrogen 3.367 N/A HIS 164.A N PHE 316.A OXT no hydrogen 2.789 N/A HIS 164.A ND1 PHE 316.A O no hydrogen 2.648 N/A GLN 166.A N ASN 163.A OD1 no hydrogen 2.878 N/A GLN 166.A NE2 ASP 309.A O no hydrogen 2.880 N/A VAL 167.A N ASN 163.A O no hydrogen 2.915 N/A GLU 168.A N HIS 164.A O no hydrogen 2.886 N/A MET 169.A N LEU 165.A O no hydrogen 2.942 N/A ILE 170.A N.A GLN 166.A O no hydrogen 3.275 N/A ILE 170.A N.B GLN 166.A O no hydrogen 3.296 N/A ILE 170.A N.B VAL 167.A O no hydrogen 3.122 N/A LEU 171.A N VAL 167.A O no hydrogen 2.946 N/A ASN 172.A N GLU 168.A O no hydrogen 2.803 N/A LYS 173.A N ILE 170.A O.A no hydrogen 2.956 N/A LYS 173.A N ILE 170.A O.B no hydrogen 3.051 N/A LYS 173.A NZ PRO 174.A O no hydrogen 3.039 N/A LEU 176.A N LYS 173.A O no hydrogen 3.078 N/A LYS 177.A N GLU 146.A OE2 no hydrogen 2.746 N/A LYS 177.A NZ ASP 150.A OD2 no hydrogen 2.747 N/A TYR 178.A N GLU 146.A OE2 no hydrogen 2.878 N/A TYR 178.A OH ASP 150.A OD1 no hydrogen 2.596 N/A ALA 181.A N ILE 157.A O no hydrogen 2.854 N/A ASN 183.A N VAL 206.A O no hydrogen 2.961 N/A ASN 183.A ND2 PHE 162.A O no hydrogen 3.166 N/A GLN 184.A N ILE 159.A O no hydrogen 2.959 N/A GLN 184.A NE2 ASP 44.A OD1 no hydrogen 3.000 N/A ILE 185.A N THR 208.A O no hydrogen 2.880 N/A CYS 187.A N TYR 210.A O no hydrogen 3.153 N/A CYS 187.A SG LEU 191.A O no hydrogen 3.821 N/A CYS 187.A SG THR 192.A O no hydrogen 3.650 N/A HIS 188.A N LEU 191.A O no hydrogen 3.163 N/A HIS 188.A NE2 GLU 186.A OE2 no hydrogen 2.799 N/A TYR 190.A N HIS 188.A ND1 no hydrogen 3.127 N/A TYR 190.A OH ASP 231.A OD2 no hydrogen 2.570 N/A LEU 191.A N HIS 188.A O no hydrogen 2.936 N/A THR 192.A N ASN 293.A OD1 no hydrogen 2.987 N/A THR 192.A OG1 GLU 194.A OE1 no hydrogen 2.628 N/A THR 192.A OG1 GLU 194.A OE2 no hydrogen 3.542 N/A GLN 193.A NE2 GLU 186.A O no hydrogen 2.847 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.818 N/A ILE 197.A N GLN 193.A O no hydrogen 2.934 N/A GLN 198.A N.A GLU 194.A O no hydrogen 3.054 N/A GLN 198.A N.B GLU 194.A O no hydrogen 3.031 N/A TYR 199.A N LYS 195.A O no hydrogen 3.124 N/A CYS 200.A N LEU 196.A O no hydrogen 3.003 N/A CYS 200.A SG LEU 196.A O no hydrogen 3.436 N/A GLN 201.A N ILE 197.A O no hydrogen 2.913 N/A GLN 201.A NE2 ARG 256.A O no hydrogen 3.129 N/A GLN 201.A NE2 ASN 257.A O no hydrogen 3.583 N/A SER 202.A N GLN 198.A O.A no hydrogen 2.931 N/A SER 202.A N GLN 198.A O.B no hydrogen 2.972 N/A SER 202.A OG GLN 198.A O.A no hydrogen 3.437 N/A SER 202.A OG TYR 199.A O no hydrogen 2.769 N/A LYS 203.A N CYS 200.A O no hydrogen 2.969 N/A GLY 204.A N GLN 201.A O no hydrogen 3.033 N/A ILE 205.A N CYS 200.A O no hydrogen 2.963 N/A VAL 206.A N ALA 181.A O no hydrogen 3.013 N/A THR 208.A N ASN 183.A O no hydrogen 3.163 N/A ALA 209.A N VAL 259.A O no hydrogen 2.744 N/A TYR 210.A N ILE 185.A O no hydrogen 2.855 N/A TYR 210.A OH ASN 161.A OD1 no hydrogen 2.619 N/A GLY 214.A N SER 211.A O no hydrogen 2.953 N/A ARG 218.A N SER 215.A O no hydrogen 2.953 N/A ARG 218.A NH1 SER 215.A O no hydrogen 2.978 N/A ARG 218.A NH2 ASP 225.A OD2 no hydrogen 2.881 N/A TRP 220.A NE1 VAL 298.A O no hydrogen 2.722 N/A ALA 221.A N ARG 218.A O no hydrogen 3.330 N/A LYS 222.A N ASP 225.A OD2 no hydrogen 3.061 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.653 N/A ASP 225.A N LYS 222.A O no hydrogen 3.039 N/A SER 227.A OG GLU 230.A OE1 no hydrogen 3.007 N/A GLU 230.A N SER 227.A O no hydrogen 3.189 N/A ASP 231.A N LEU 228.A O no hydrogen 3.157 N/A ARG 233.A N ASP 231.A OD1 no hydrogen 2.923 N/A ARG 233.A NE ASP 231.A OD1 no hydrogen 2.999 N/A ARG 233.A NH2 ASP 231.A OD2 no hydrogen 2.805 N/A ILE 234.A N ASP 231.A O no hydrogen 3.012 N/A LYS 235.A N ASP 231.A O no hydrogen 2.957 N/A ALA 236.A N PRO 232.A O no hydrogen 2.959 N/A ILE 237.A N ARG 233.A O no hydrogen 3.391 N/A ALA 238.A N ILE 234.A O no hydrogen 2.999 N/A ALA 239.A N LYS 235.A O no hydrogen 2.878 N/A LYS 240.A N ALA 236.A O no hydrogen 3.069 N/A LYS 240.A NZ ASP 285.A OD1 no hydrogen 2.827 N/A HIS 241.A N ILE 237.A O no hydrogen 3.282 N/A HIS 241.A N ALA 238.A O no hydrogen 3.038 N/A HIS 241.A NE2 ASP 285.A OD2 no hydrogen 2.779 N/A ASN 242.A N.A ALA 239.A O no hydrogen 3.080 N/A ASN 242.A N.B ALA 239.A O no hydrogen 3.083 N/A LYS 243.A N ALA 238.A O no hydrogen 2.983 N/A LYS 243.A NZ LYS 275.A O no hydrogen 2.819 N/A LYS 243.A NZ ASP 278.A OD1 no hydrogen 3.240 N/A LYS 243.A NZ ASP 278.A OD2 no hydrogen 2.907 N/A THR 244.A N GLN 247.A OE1 no hydrogen 2.849 N/A THR 244.A OG1 GLU 272.A OE2 no hydrogen 2.732 N/A GLN 247.A N THR 244.A OG1 no hydrogen 3.105 N/A GLN 247.A NE2 GLU 272.A O no hydrogen 2.912 N/A VAL 248.A N THR 244.A O no hydrogen 3.111 N/A LEU 249.A N THR 245.A O no hydrogen 2.949 N/A ILE 250.A N ALA 246.A O no hydrogen 2.953 N/A ARG 251.A N GLN 247.A O no hydrogen 2.914 N/A ARG 251.A NE GLN 255.A OE1 no hydrogen 2.817 N/A ARG 251.A NH1 VAL 276.A O no hydrogen 2.879 N/A ARG 251.A NH2 GLN 255.A OE1 no hydrogen 3.547 N/A PHE 252.A N VAL 248.A O no hydrogen 2.973 N/A GLN 255.A N ARG 251.A O no hydrogen 3.107 N/A GLN 255.A N PHE 252.A O no hydrogen 3.197 N/A GLN 255.A NE2 LEU 281.A O no hydrogen 2.895 N/A ARG 256.A N PRO 253.A O no hydrogen 2.925 N/A ARG 256.A NH1 THR 192.A O no hydrogen 2.905 N/A ARG 256.A NH2 THR 192.A O no hydrogen 2.881 N/A ASN 257.A N MET 254.A O no hydrogen 3.117 N/A LEU 258.A N PRO 253.A O no hydrogen 3.117 N/A VAL 259.A N VAL 207.A O no hydrogen 2.993 N/A VAL 260.A N ILE 15.A O no hydrogen 2.801 N/A LYS 263.A NZ ASP 217.A OD2 no hydrogen 2.819 N/A SER 264.A OG THR 266.A O no hydrogen 3.456 N/A THR 266.A N SER 264.A OG no hydrogen 2.920 N/A ILE 270.A N THR 266.A O no hydrogen 2.875 N/A ALA 271.A N PRO 267.A O no hydrogen 3.113 N/A GLU 272.A N GLU 268.A O no hydrogen 2.954 N/A ASN 273.A N ARG 269.A O no hydrogen 2.803 N/A PHE 274.A N ALA 271.A O no hydrogen 3.130 N/A LYS 275.A N GLU 272.A O no hydrogen 3.044 N/A VAL 276.A N PHE 274.A O no hydrogen 2.927 N/A LEU 281.A N GLN 255.A OE1 no hydrogen 2.836 N/A SER 282.A N ASP 285.A OD2 no hydrogen 2.996 N/A ASP 285.A N SER 282.A OG no hydrogen 2.854 N/A MET 286.A N SER 282.A O no hydrogen 2.872 N/A THR 287.A N SER 283.A O.A no hydrogen 2.872 N/A THR 287.A N SER 283.A O.B no hydrogen 2.925 N/A THR 287.A OG1 SER 283.A O.A no hydrogen 3.297 N/A THR 287.A OG1 SER 283.A O.B no hydrogen 3.162 N/A THR 288.A N GLN 284.A O no hydrogen 2.845 N/A THR 288.A OG1 GLN 284.A O no hydrogen 2.717 N/A LEU 289.A N ASP 285.A O no hydrogen 2.885 N/A LEU 290.A N MET 286.A O no hydrogen 2.908 N/A SER 291.A N THR 287.A O no hydrogen 2.968 N/A SER 291.A N THR 288.A O no hydrogen 3.091 N/A SER 291.A OG THR 288.A O no hydrogen 2.656 N/A TYR 292.A N LEU 289.A O no hydrogen 3.137 N/A ASN 293.A N LEU 290.A O no hydrogen 3.241 N/A ASN 293.A ND2 ASN 295.A OD1 no hydrogen 2.937 N/A ARG 294.A N TYR 190.A O no hydrogen 2.990 N/A ASN 295.A N ASN 293.A OD1 no hydrogen 3.323 N/A TRP 296.A N TYR 190.A O no hydrogen 3.010 N/A VAL 298.A N GLU 186.A OE2 no hydrogen 2.611 N/A CYS 299.A N.A GLU 186.A OE1 no hydrogen 2.957 N/A CYS 299.A N.B GLU 186.A OE1 no hydrogen 2.930 N/A CYS 304.A N LEU 301.A O no hydrogen 2.935 N/A CYS 304.A SG SER 303.A OG no hydrogen 3.762 N/A HIS 307.A N CYS 304.A O no hydrogen 2.920 N/A HIS 307.A NE2 GLY 115.A O no hydrogen 2.840 N/A LYS 308.A NZ ASP 309.A OD2 no hydrogen 3.043 N/A ASP 309.A N HIS 307.A ND1 no hydrogen 2.929 N/A TYR 310.A N HIS 307.A O no hydrogen 3.075 N/A TYR 310.A OH ALA 300.A O no hydrogen 2.533 N/A HIS 313.A NE2 THR 305.A O no hydrogen 2.921 N/A