Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ure_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N GLU 28.A OE1 no hydrogen 2.780 N/A LEU 3.A N GLU 28.A O no hydrogen 2.858 N/A GLY 5.A N GLY 29.A O no hydrogen 3.423 N/A LYS 6.A N.A LEU 3.A O no hydrogen 3.047 N/A LYS 6.A N.B LEU 3.A O no hydrogen 3.019 N/A LYS 6.A NZ.A ASP 229.A OD2 no hydrogen 2.708 N/A LYS 6.A NZ.B ASP 229.A OD2 no hydrogen 3.520 N/A THR 7.A N ASP 84.A OD2 no hydrogen 2.885 N/A ALA 8.A N ASN 31.A O no hydrogen 2.843 N/A LEU 9.A N ILE 85.A O no hydrogen 2.854 N/A VAL 10.A N VAL 33.A O no hydrogen 3.046 N/A THR 11.A N CYS 87.A O no hydrogen 3.100 N/A THR 11.A OG1 CYS 87.A O no hydrogen 3.538 N/A THR 11.A OG1 ASN 89.A O no hydrogen 2.939 N/A ALA 13.A N SER 35.A O no hydrogen 2.846 N/A GLY 14.A N ASP 36.A OD1 no hydrogen 2.829 N/A ARG 19.A N ASN 15.A O no hydrogen 3.053 N/A ARG 19.A NE THR 45.A OG1 no hydrogen 2.916 N/A ARG 19.A NH1 GLU 44.A OE1 no hydrogen 3.250 N/A ARG 19.A NH2 TRP 41.A O no hydrogen 3.232 N/A ARG 19.A NH2 GLU 44.A OE1 no hydrogen 3.010 N/A ARG 19.A NH2 THR 45.A OG1 no hydrogen 3.307 N/A THR 20.A N GLY 16.A O no hydrogen 3.258 N/A THR 20.A OG1 GLY 16.A O no hydrogen 3.392 N/A THR 20.A OG1 THR 216.A OG1 no hydrogen 2.682 N/A ILE 21.A N ILE 17.A O no hydrogen 2.921 N/A ALA 22.A N GLY 18.A O no hydrogen 2.933 N/A LEU 23.A N ARG 19.A O no hydrogen 2.922 N/A THR 24.A N THR 20.A O no hydrogen 2.856 N/A THR 24.A OG1 THR 20.A O no hydrogen 2.814 N/A TYR 25.A N ILE 21.A O no hydrogen 2.832 N/A TYR 25.A OH SER 227.A OG no hydrogen 2.736 N/A ALA 26.A N ALA 22.A O no hydrogen 3.097 N/A ALA 27.A N LEU 23.A O no hydrogen 2.864 N/A GLU 28.A N THR 24.A O no hydrogen 2.974 N/A GLU 28.A N TYR 25.A O no hydrogen 3.143 N/A GLY 29.A N ALA 26.A O no hydrogen 2.930 N/A ALA 30.A N TYR 25.A O no hydrogen 3.037 N/A ASN 31.A N LYS 6.A O.A no hydrogen 2.843 N/A ASN 31.A N LYS 6.A O.B no hydrogen 2.718 N/A VAL 32.A N LYS 55.A O no hydrogen 2.925 N/A VAL 33.A N ALA 8.A O no hydrogen 2.916 N/A VAL 34.A N VAL 57.A O no hydrogen 2.877 N/A SER 35.A N VAL 10.A O no hydrogen 2.895 N/A SER 35.A OG GLN 59.A O no hydrogen 2.941 N/A SER 38.A N ASP 36.A OD2 no hydrogen 2.958 N/A TRP 41.A N SER 38.A OG no hydrogen 3.072 N/A GLY 42.A N SER 38.A O no hydrogen 2.843 N/A ARG 43.A N.A ASP 39.A O no hydrogen 2.816 N/A ARG 43.A N.B ASP 39.A O no hydrogen 2.825 N/A GLU 44.A N GLU 40.A O no hydrogen 3.052 N/A THR 45.A N TRP 41.A O no hydrogen 3.031 N/A THR 45.A OG1 ALA 13.A O no hydrogen 2.662 N/A THR 45.A OG1 TRP 41.A O no hydrogen 3.366 N/A LEU 46.A N GLY 42.A O no hydrogen 3.046 N/A ALA 47.A N ARG 43.A O.A no hydrogen 2.899 N/A ALA 47.A N ARG 43.A O.B no hydrogen 2.929 N/A LEU 48.A N GLU 44.A O no hydrogen 2.913 N/A ILE 49.A N THR 45.A O no hydrogen 3.037 N/A GLU 50.A N LEU 46.A O no hydrogen 2.951 N/A GLY 51.A N ALA 47.A O no hydrogen 2.870 N/A LYS 52.A N ILE 49.A O no hydrogen 3.151 N/A GLY 53.A N GLU 50.A O no hydrogen 2.998 N/A GLY 54.A N ILE 49.A O no hydrogen 2.986 N/A LYS 55.A NZ ASN 31.A OD1 no hydrogen 2.910 N/A VAL 57.A N VAL 32.A O no hydrogen 2.941 N/A GLN 59.A N VAL 34.A O no hydrogen 2.947 N/A ALA 61.A N ASP 36.A O no hydrogen 3.193 N/A ASP 62.A N ASP 68.A OD2 no hydrogen 2.833 N/A ALA 64.A N ASP 62.A OD1 no hydrogen 2.977 N/A HIS 65.A N ASP 62.A O no hydrogen 2.947 N/A GLU 67.A N.A GLU 67.A OE1.A no hydrogen 2.913 N/A ASP 68.A N HIS 65.A O no hydrogen 3.045 N/A HIS 69.A N PRO 66.A O no hydrogen 3.156 N/A HIS 69.A NE2 THR 63.A O no hydrogen 2.848 N/A ASP 70.A N GLU 67.A O.A no hydrogen 3.094 N/A ASP 70.A N GLU 67.A O.B no hydrogen 3.107 N/A LEU 72.A N ASP 68.A O no hydrogen 3.176 N/A ILE 73.A N HIS 69.A O no hydrogen 3.063 N/A ALA 74.A N ASP 70.A O no hydrogen 2.920 N/A ALA 75.A N GLU 71.A O no hydrogen 2.899 N/A ALA 76.A N LEU 72.A O no hydrogen 3.091 N/A LYS 77.A N ILE 73.A O no hydrogen 3.016 N/A LYS 77.A NZ GLU 131.A OE1 no hydrogen 2.719 N/A LYS 77.A NZ GLU 131.A OE2 no hydrogen 2.776 N/A ARG 78.A N ALA 74.A O no hydrogen 2.861 N/A ALA 79.A N ALA 75.A O no hydrogen 2.876 N/A PHE 80.A N ALA 76.A O no hydrogen 2.943 N/A GLY 81.A N LYS 77.A O no hydrogen 2.862 N/A ARG 82.A NE ASP 84.A OD1 no hydrogen 2.767 N/A ASP 84.A N THR 7.A O no hydrogen 2.868 N/A ILE 85.A N THR 7.A O no hydrogen 2.946 N/A ALA 86.A N ALA 136.A O no hydrogen 2.936 N/A CYS 87.A N LEU 9.A O no hydrogen 2.855 N/A CYS 87.A SG VAL 138.A O no hydrogen 3.658 N/A ASN 88.A N VAL 138.A O no hydrogen 2.910 N/A ASN 88.A ND2 GLN 125.A OE1 no hydrogen 2.921 N/A ASN 88.A ND2 ASN 139.A OD1 no hydrogen 2.920 N/A ASN 89.A N THR 11.A OG1 no hydrogen 2.891 N/A ASN 89.A ND2 THR 11.A O no hydrogen 3.374 N/A ASN 89.A ND2 GLY 12.A O no hydrogen 3.190 N/A SER 93.A OG GLY 94.A O no hydrogen 2.839 N/A THR 97.A N GLY 151.A O no hydrogen 2.759 N/A THR 97.A OG1 GLU 95.A O no hydrogen 3.210 N/A THR 99.A OG1 THR 153.A OG1 no hydrogen 2.706 N/A GLU 101.A N PRO 98.A O no hydrogen 2.913 N/A THR 102.A N THR 99.A O no hydrogen 3.029 N/A THR 102.A OG1 PRO 98.A O no hydrogen 2.871 N/A THR 103.A N GLN 106.A OE1 no hydrogen 2.867 N/A THR 103.A OG1 GLN 106.A OE1 no hydrogen 3.471 N/A GLN 106.A N THR 103.A OG1 no hydrogen 3.058 N/A GLN 106.A NE2 THR 97.A OG1 no hydrogen 2.764 N/A TRP 107.A N THR 103.A O no hydrogen 3.047 N/A GLN 108.A N ASP 104.A O no hydrogen 2.857 N/A ARG 109.A N ALA 105.A O no hydrogen 2.923 N/A VAL 110.A N GLN 106.A O no hydrogen 3.183 N/A ILE 111.A N TRP 107.A O no hydrogen 3.003 N/A GLY 112.A N GLN 108.A O no hydrogen 2.902 N/A ILE 113.A N ARG 109.A O no hydrogen 2.981 N/A ASN 114.A N VAL 110.A O no hydrogen 2.889 N/A ASN 114.A ND2 ILE 92.A O no hydrogen 3.229 N/A ASN 114.A ND2 VAL 110.A O no hydrogen 3.091 N/A LEU 115.A N ILE 111.A O no hydrogen 3.031 N/A SER 116.A N ILE 111.A O no hydrogen 2.855 N/A GLY 117.A N GLY 112.A O no hydrogen 2.821 N/A PHE 119.A N LEU 115.A O no hydrogen 3.011 N/A TYR 120.A N SER 116.A O no hydrogen 2.857 N/A GLY 121.A N GLY 117.A O no hydrogen 3.059 N/A VAL 122.A N VAL 118.A O no hydrogen 2.808 N/A ARG 123.A N PHE 119.A O no hydrogen 2.779 N/A ALA 124.A N TYR 120.A O no hydrogen 3.155 N/A GLN 125.A N GLY 121.A O no hydrogen 2.793 N/A GLN 125.A NE2 ASN 88.A OD1 no hydrogen 2.945 N/A ILE 126.A N VAL 122.A O no hydrogen 2.952 N/A ARG 127.A N.A ARG 123.A O no hydrogen 3.306 N/A ARG 127.A N.B ARG 123.A O no hydrogen 3.346 N/A ALA 128.A N ALA 124.A O no hydrogen 3.083 N/A MET 129.A N GLN 125.A O no hydrogen 2.921 N/A MET 129.A N ILE 126.A O no hydrogen 3.022 N/A LEU 130.A N ILE 126.A O no hydrogen 2.939 N/A GLU 131.A N ALA 128.A O no hydrogen 3.276 N/A THR 132.A N MET 129.A O no hydrogen 3.109 N/A GLY 134.A N MET 129.A O no hydrogen 2.799 N/A GLY 135.A N GLY 177.A O no hydrogen 3.010 N/A ALA 136.A N ASP 84.A O no hydrogen 2.917 N/A ILE 137.A N ARG 179.A O no hydrogen 2.792 N/A VAL 138.A N ALA 86.A O no hydrogen 2.794 N/A ASN 139.A N ASN 181.A O no hydrogen 2.872 N/A ASN 139.A ND2 THR 166.A OG1 no hydrogen 3.101 N/A ILE 140.A N ASN 88.A O no hydrogen 2.920 N/A SER 141.A N VAL 183.A O no hydrogen 2.712 N/A SER 141.A OG SER 142.A O no hydrogen 3.549 N/A SER 141.A OG LYS 159.A O no hydrogen 2.953 N/A ILE 143.A N PRO 185.A O no hydrogen 2.986 N/A ALA 144.A N SER 142.A OG no hydrogen 2.934 N/A GLY 145.A N SER 142.A O no hydrogen 2.852 N/A GLN 146.A N ILE 143.A O no hydrogen 2.973 N/A ILE 147.A N ILE 143.A O no hydrogen 2.975 N/A ILE 152.A N ILE 149.A O no hydrogen 3.266 N/A THR 153.A OG1 THR 99.A OG1 no hydrogen 2.706 N/A THR 156.A N ILE 152.A O no hydrogen 2.892 N/A THR 156.A OG1 ILE 152.A O no hydrogen 2.936 N/A ALA 157.A N THR 153.A O no hydrogen 2.933 N/A ALA 158.A N PRO 154.A O no hydrogen 2.850 N/A LYS 159.A N TYR 155.A O no hydrogen 2.673 N/A LYS 159.A NZ ILE 140.A O no hydrogen 2.906 N/A LYS 159.A NZ SER 141.A O no hydrogen 3.413 N/A HIS 160.A N THR 156.A O no hydrogen 2.918 N/A HIS 160.A ND1 ALA 144.A O no hydrogen 2.819 N/A HIS 160.A ND1 THR 156.A O no hydrogen 3.045 N/A GLY 161.A N ALA 157.A O no hydrogen 2.935 N/A VAL 162.A N ALA 158.A O no hydrogen 2.923 N/A VAL 163.A N LYS 159.A O no hydrogen 3.295 N/A GLY 164.A N HIS 160.A O no hydrogen 3.097 N/A LEU 165.A N.A GLY 161.A O no hydrogen 2.967 N/A LEU 165.A N.B GLY 161.A O no hydrogen 2.915 N/A THR 166.A N VAL 162.A O no hydrogen 3.131 N/A THR 166.A OG1 VAL 162.A O no hydrogen 2.834 N/A THR 168.A N.A GLY 164.A O no hydrogen 3.324 N/A THR 168.A N.B GLY 164.A O no hydrogen 3.275 N/A THR 168.A N.B LEU 165.A O.B no hydrogen 3.050 N/A THR 168.A OG1.B LEU 165.A O.A no hydrogen 2.938 N/A THR 168.A OG1.B LEU 165.A O.B no hydrogen 2.570 N/A VAL 169.A N LEU 165.A O.A no hydrogen 3.168 N/A VAL 169.A N LEU 165.A O.B no hydrogen 3.042 N/A ALA 170.A N THR 166.A O no hydrogen 3.090 N/A TRP 171.A N THR 168.A O.B no hydrogen 3.005 N/A GLU 172.A N THR 168.A O.A no hydrogen 2.920 N/A GLU 172.A N THR 168.A O.B no hydrogen 2.934 N/A TYR 173.A N VAL 169.A O no hydrogen 2.906 N/A LYS 176.A N TYR 173.A O no hydrogen 2.985 N/A GLY 177.A N GLY 174.A O no hydrogen 3.306 N/A ILE 178.A N TYR 173.A O no hydrogen 3.304 N/A ARG 179.A N GLY 135.A O no hydrogen 2.927 N/A ARG 179.A NH1 LEU 226.A O no hydrogen 3.043 N/A ARG 179.A NH1 VAL 234.A O no hydrogen 3.014 N/A ARG 179.A NH2 LEU 226.A O no hydrogen 2.967 N/A ILE 180.A N THR 235.A OG1 no hydrogen 3.024 N/A ASN 181.A N ILE 137.A O no hydrogen 3.105 N/A ASN 181.A ND2 VAL 234.A O no hydrogen 2.992 N/A SER 182.A N SER 237.A O no hydrogen 2.870 N/A SER 182.A OG SER 237.A O no hydrogen 3.556 N/A VAL 183.A N ASN 139.A O no hydrogen 2.938 N/A GLY 184.A N TYR 239.A O.A no hydrogen 2.718 N/A GLY 184.A N TYR 239.A O.B no hydrogen 2.974 N/A ALA 186.A N VAL 241.A O.A no hydrogen 3.277 N/A ALA 186.A N VAL 241.A O.B no hydrogen 3.005 N/A PHE 187.A N HIS 208.A NE2 no hydrogen 3.329 N/A ASN 189.A N GLY 214.A O no hydrogen 2.736 N/A ASN 189.A ND2 GLU 215.A OE1 no hydrogen 2.955 N/A THR 190.A N ILE 188.A O no hydrogen 2.881 N/A THR 190.A OG1 ILE 188.A O no hydrogen 3.551 N/A GLN 194.A N THR 190.A O no hydrogen 2.928 N/A GLN 194.A NE2 ASN 189.A OD1 no hydrogen 3.051 N/A ASN 195.A N LEU 192.A O no hydrogen 3.212 N/A ARG 201.A N PRO 197.A O no hydrogen 2.918 N/A ARG 201.A NE GLU 205.A OE2 no hydrogen 2.983 N/A ARG 202.A N LEU 198.A O no hydrogen 2.789 N/A ARG 202.A NH1 GLU 205.A OE1 no hydrogen 2.905 N/A GLN 203.A N GLU 199.A O no hydrogen 3.032 N/A LEU 204.A N THR 200.A O no hydrogen 2.957 N/A GLU 205.A N ARG 201.A O no hydrogen 2.765 N/A GLN 206.A N ARG 202.A O no hydrogen 3.020 N/A MET 207.A N LEU 204.A O no hydrogen 2.937 N/A HIS 208.A N GLU 205.A O no hydrogen 3.103 N/A HIS 208.A ND1 LEU 204.A O no hydrogen 2.856 N/A LEU 210.A N GLY 243.A O no hydrogen 3.161 N/A ARG 211.A N HIS 208.A O no hydrogen 2.922 N/A ARG 211.A NH1 GLN 206.A OE1 no hydrogen 2.831 N/A ARG 212.A NH1 LEU 213.A O no hydrogen 3.045 N/A ARG 212.A NH1 GLU 218.A OE1 no hydrogen 2.942 N/A ARG 212.A NH1 GLU 218.A OE2 no hydrogen 3.466 N/A ARG 212.A NH2 GLU 218.A OE2 no hydrogen 2.808 N/A GLY 214.A N PHE 187.A O no hydrogen 3.010 N/A GLU 215.A N GLU 218.A OE1 no hydrogen 2.811 N/A THR 216.A OG1 THR 20.A OG1 no hydrogen 2.682 N/A THR 216.A OG1 GLU 217.A OE1 no hydrogen 3.458 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.838 N/A GLU 218.A N GLU 215.A O no hydrogen 2.941 N/A VAL 219.A N GLU 215.A O no hydrogen 3.434 N/A VAL 219.A N THR 216.A O no hydrogen 3.178 N/A ALA 220.A N THR 216.A O no hydrogen 2.968 N/A ASN 221.A N GLU 217.A O no hydrogen 2.795 N/A LEU 222.A N.B VAL 219.A O no hydrogen 3.164 N/A VAL 223.A N VAL 219.A O no hydrogen 3.165 N/A ALA 224.A N ALA 220.A O no hydrogen 2.815 N/A TRP 225.A N ASN 221.A O no hydrogen 3.087 N/A LEU 226.A N LEU 222.A O.A no hydrogen 2.880 N/A LEU 226.A N LEU 222.A O.B no hydrogen 2.904 N/A SER 227.A N VAL 223.A O no hydrogen 3.018 N/A SER 227.A N ALA 224.A O no hydrogen 3.205 N/A SER 227.A OG TYR 25.A OH no hydrogen 2.736 N/A SER 227.A OG VAL 223.A O no hydrogen 2.782 N/A SER 228.A N TRP 225.A O no hydrogen 2.979 N/A SER 228.A OG TRP 225.A O no hydrogen 2.759 N/A LYS 230.A N SER 228.A OG no hydrogen 3.074 N/A ALA 231.A N SER 228.A O no hydrogen 3.059 N/A SER 232.A OG ASP 229.A O no hydrogen 3.190 N/A VAL 234.A N ALA 231.A O no hydrogen 2.935 N/A THR 235.A OG1 ILE 180.A O no hydrogen 3.365 N/A GLY 236.A N ILE 180.A O no hydrogen 2.764 N/A SER 237.A N ASN 181.A OD1 no hydrogen 2.992 N/A SER 237.A OG THR 235.A O no hydrogen 3.079 N/A TYR 238.A OH SER 142.A O no hydrogen 2.878 N/A TYR 239.A N.A SER 182.A O no hydrogen 2.852 N/A TYR 239.A N.B SER 182.A O no hydrogen 2.854 N/A VAL 241.A N.A GLY 184.A O no hydrogen 2.966 N/A VAL 241.A N.B GLY 184.A O no hydrogen 2.961 N/A GLY 244.A N ASP 242.A OD1 no hydrogen 2.821 N/A TYR 245.A N ASP 242.A O no hydrogen 2.974 N/A LEU 246.A N ASP 242.A OD2 no hydrogen 3.110 N/A ALA 247.A N GLY 244.A O no hydrogen 2.974 N/A