Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ako_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N GLU 75.A OE2 no hydrogen 3.231 N/A GLU 6.A N PRO 3.A O no hydrogen 2.926 N/A ASP 7.A N PHE 4.A O no hydrogen 3.138 N/A TRP 8.A N PHE 4.A O no hydrogen 3.015 N/A ARG 9.A N VAL 26.A O no hydrogen 2.842 N/A VAL 11.A N LEU 24.A O no hydrogen 2.813 N/A THR 13.A OG1 GLN 23.A OE1 no hydrogen 3.023 N/A LEU 14.A N VAL 22.A O no hydrogen 2.656 N/A GLY 15.A N VAL 22.A O no hydrogen 3.131 N/A GLY 17.A N GLY 20.A O no hydrogen 2.892 N/A GLY 20.A N GLY 17.A O no hydrogen 3.191 N/A GLU 21.A N ILE 38.A O no hydrogen 2.987 N/A VAL 22.A N GLY 15.A O no hydrogen 2.676 N/A GLN 23.A N VAL 36.A O no hydrogen 2.899 N/A LEU 24.A N GLN 12.A O no hydrogen 2.844 N/A ALA 25.A N VAL 34.A O no hydrogen 2.874 N/A VAL 26.A N ARG 9.A O no hydrogen 2.874 N/A ASN 27.A N GLU 32.A O no hydrogen 2.915 N/A ARG 28.A N ASP 7.A O no hydrogen 3.072 N/A ARG 28.A NE VAL 5.A O no hydrogen 2.715 N/A ARG 28.A NH2 VAL 5.A O no hydrogen 2.751 N/A VAL 29.A N ASN 27.A OD1 no hydrogen 3.180 N/A THR 30.A N ASN 27.A OD1 no hydrogen 3.057 N/A GLU 31.A N ASN 27.A O no hydrogen 2.825 N/A GLU 32.A N THR 30.A OG1 no hydrogen 3.220 N/A VAL 34.A N ALA 25.A O no hydrogen 2.899 N/A ALA 35.A N LEU 83.A O no hydrogen 2.893 N/A VAL 36.A N GLN 23.A O no hydrogen 2.823 N/A LYS 37.A N LEU 81.A O no hydrogen 2.883 N/A LYS 37.A NZ GLU 54.A OE1 no hydrogen 3.283 N/A LYS 37.A NZ GLU 54.A OE2 no hydrogen 2.687 N/A ILE 38.A N GLU 21.A O no hydrogen 2.774 N/A VAL 39.A N GLN 79.A O no hydrogen 2.896 N/A MET 41.A N ASN 77.A O no hydrogen 2.761 N/A LYS 42.A N ASP 40.A OD1 no hydrogen 3.130 N/A LYS 42.A NZ ASP 40.A OD1 no hydrogen 3.138 N/A ARG 43.A N ASP 40.A O no hydrogen 3.159 N/A ARG 43.A NE ALA 18.A O no hydrogen 3.321 N/A ARG 43.A NH1 ASP 40.A OD2 no hydrogen 3.266 N/A ARG 43.A NH2 ALA 18.A O no hydrogen 3.235 N/A CYS 47.A N ALA 44.A O no hydrogen 3.416 N/A CYS 47.A SG ASP 40.A O no hydrogen 3.894 N/A CYS 47.A SG ARG 43.A O no hydrogen 3.098 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.642 N/A ASN 50.A N ASP 46.A O no hydrogen 3.155 N/A ILE 51.A N CYS 47.A O no hydrogen 3.188 N/A LYS 52.A N PRO 48.A O no hydrogen 2.954 N/A LYS 53.A N GLU 49.A O no hydrogen 2.947 N/A GLU 54.A N ASN 50.A O no hydrogen 2.959 N/A ILE 55.A N ILE 51.A O no hydrogen 2.863 N/A CYS 56.A N LYS 52.A O no hydrogen 2.961 N/A ILE 57.A N LYS 53.A O no hydrogen 2.936 N/A ASN 58.A N GLU 54.A O no hydrogen 2.885 N/A ASN 58.A ND2 GLU 54.A O no hydrogen 2.943 N/A LYS 59.A N ILE 55.A O no hydrogen 2.868 N/A MET 60.A N CYS 56.A O no hydrogen 3.171 N/A MET 60.A N ILE 57.A O no hydrogen 2.748 N/A LEU 61.A N ASN 58.A O no hydrogen 3.156 N/A ASN 62.A N TYR 119.A OH no hydrogen 2.734 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.959 N/A ASN 65.A ND2 LEU 143.A O no hydrogen 2.880 N/A VAL 66.A N HIS 63.A O no hydrogen 3.119 N/A VAL 67.A N ILE 145.A O no hydrogen 3.001 N/A LYS 68.A N GLU 84.A OE1 no hydrogen 3.089 N/A LYS 68.A NZ GLU 64.A OE2 no hydrogen 3.367 N/A TYR 70.A N PHE 82.A O no hydrogen 2.827 N/A ARG 73.A N TYR 80.A O no hydrogen 3.022 N/A ARG 74.A NE GLY 76.A O no hydrogen 2.981 N/A ARG 74.A NH2 ASN 77.A OD1 no hydrogen 3.256 N/A GLU 75.A N ILE 78.A O no hydrogen 2.859 N/A ILE 78.A N GLU 75.A O no hydrogen 3.017 N/A GLN 79.A N VAL 39.A O no hydrogen 2.870 N/A TYR 80.A N ARG 73.A O no hydrogen 2.613 N/A LEU 81.A N LYS 37.A O no hydrogen 2.863 N/A PHE 82.A N GLY 71.A O no hydrogen 2.828 N/A LEU 83.A N ALA 35.A O no hydrogen 2.807 N/A GLU 84.A N LYS 68.A O no hydrogen 2.882 N/A CYS 86.A SG GLU 84.A O no hydrogen 4.034 N/A GLY 88.A N LEU 137.A O no hydrogen 2.676 N/A GLY 89.A N CYS 86.A O no hydrogen 3.178 N/A LEU 91.A N LEU 135.A O no hydrogen 2.670 N/A PHE 92.A N PRO 132.A O no hydrogen 3.133 N/A ASP 93.A N GLU 90.A O no hydrogen 3.103 N/A ARG 94.A N LEU 91.A O no hydrogen 2.855 N/A ARG 94.A NH1 ASP 141.A OD1 no hydrogen 3.138 N/A ARG 94.A NH1 ASP 141.A OD2 no hydrogen 3.073 N/A ARG 94.A NH2 GLY 88.A O no hydrogen 3.229 N/A ARG 94.A NH2 ASP 141.A OD1 no hydrogen 2.953 N/A ILE 95.A N PHE 92.A O no hydrogen 3.187 N/A GLU 96.A N GLY 100.A O no hydrogen 2.989 N/A ASP 98.A N GLY 203.A O no hydrogen 2.645 N/A ILE 99.A N GLU 96.A O no hydrogen 2.916 N/A GLY 100.A N GLU 96.A O no hydrogen 2.753 N/A ALA 106.A N PRO 102.A O no hydrogen 3.085 N/A GLN 107.A N GLU 103.A O no hydrogen 2.908 N/A GLN 107.A NE2 TRP 263.A O no hydrogen 2.886 N/A GLN 107.A NE2 LYS 266.A O no hydrogen 2.748 N/A ARG 108.A N PRO 104.A O no hydrogen 2.949 N/A ARG 108.A NH1 ASP 141.A O no hydrogen 2.789 N/A ARG 108.A NH2 ARG 140.A O no hydrogen 3.552 N/A ARG 108.A NH2 ASP 141.A O no hydrogen 3.427 N/A PHE 109.A N ASP 105.A O no hydrogen 2.950 N/A PHE 110.A N ALA 106.A O no hydrogen 2.891 N/A HIS 111.A N GLN 107.A O no hydrogen 2.873 N/A GLN 112.A N ARG 108.A O no hydrogen 3.032 N/A GLN 112.A NE2 ASN 142.A OD1 no hydrogen 3.131 N/A LEU 113.A N PHE 109.A O no hydrogen 2.849 N/A MET 114.A N PHE 110.A O no hydrogen 2.854 N/A ALA 115.A N HIS 111.A O no hydrogen 2.932 N/A GLY 116.A N GLN 112.A O no hydrogen 2.985 N/A VAL 117.A N LEU 113.A O no hydrogen 2.854 N/A VAL 118.A N MET 114.A O no hydrogen 2.867 N/A TYR 119.A N ALA 115.A O no hydrogen 2.975 N/A TYR 119.A OH MET 60.A O no hydrogen 3.366 N/A LEU 120.A N GLY 116.A O no hydrogen 2.960 N/A HIS 121.A N VAL 117.A O no hydrogen 2.865 N/A HIS 121.A NE2 ASP 189.A OD2 no hydrogen 2.845 N/A GLY 122.A N VAL 118.A O no hydrogen 2.884 N/A ILE 123.A N TYR 119.A O no hydrogen 3.193 N/A ILE 123.A N LEU 120.A O no hydrogen 3.173 N/A GLY 124.A N HIS 121.A O no hydrogen 3.021 N/A ILE 125.A N LEU 120.A O no hydrogen 2.838 N/A THR 126.A N THR 152.A O no hydrogen 2.999 N/A THR 126.A OG1 ASP 189.A OD2 no hydrogen 2.642 N/A HIS 127.A NE2 SER 146.A O no hydrogen 2.809 N/A ARG 128.A N ASP 189.A OD1 no hydrogen 3.362 N/A ARG 128.A NE LEU 150.A O no hydrogen 2.845 N/A ARG 128.A NH2 LEU 150.A O no hydrogen 2.898 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.052 N/A LYS 131.A NZ THR 169.A OG1 no hydrogen 2.851 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.580 N/A ASN 134.A N LYS 131.A O no hydrogen 2.945 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.908 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 3.539 N/A LEU 135.A N PRO 132.A O no hydrogen 3.405 N/A LEU 136.A N LYS 144.A O no hydrogen 2.877 N/A LEU 137.A N GLY 89.A O no hydrogen 2.780 N/A ASP 138.A N ASN 142.A O no hydrogen 2.991 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.714 N/A ARG 140.A N ASP 138.A OD1 no hydrogen 2.733 N/A ASP 141.A N ASP 138.A O no hydrogen 3.012 N/A ASN 142.A N ASP 138.A OD1 no hydrogen 2.865 N/A ASN 142.A ND2 ASP 138.A OD2 no hydrogen 3.315 N/A LEU 143.A N GLN 112.A OE1 no hydrogen 2.952 N/A LYS 144.A N LEU 136.A O no hydrogen 2.773 N/A LYS 144.A NZ GLU 64.A O no hydrogen 2.976 N/A LYS 144.A NZ GLU 84.A OE2 no hydrogen 2.779 N/A ILE 145.A N ASN 65.A O no hydrogen 2.896 N/A SER 146.A N ASN 134.A O no hydrogen 3.070 N/A SER 146.A OG.A ASN 134.A O no hydrogen 2.713 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 2.941 N/A ALA 151.A N PHE 148.A O no hydrogen 3.160 N/A THR 152.A N THR 126.A O no hydrogen 3.193 N/A PHE 154.A N GLY 124.A O no hydrogen 2.853 N/A ARG 155.A NH2 GLU 186.A OE1 no hydrogen 2.695 N/A TYR 156.A N ARG 159.A O no hydrogen 3.042 N/A ARG 159.A N TYR 156.A O no hydrogen 2.978 N/A ARG 161.A N PHE 154.A O no hydrogen 2.922 N/A ARG 161.A NE VAL 153.A O no hydrogen 3.100 N/A ARG 161.A NH2 VAL 153.A O no hydrogen 2.986 N/A LEU 163.A N PHE 183.A O no hydrogen 2.851 N/A THR 169.A OG1 ASP 129.A OD1 no hydrogen 2.864 N/A TYR 172.A N THR 169.A O no hydrogen 2.790 N/A VAL 173.A N LEU 170.A O no hydrogen 3.096 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.680 N/A LEU 177.A N ALA 174.A O no hydrogen 3.162 N/A LEU 178.A N PRO 175.A O no hydrogen 2.877 N/A LYS 179.A N PRO 175.A O no hydrogen 2.935 N/A LYS 179.A NZ GLU 247.A OE1 no hydrogen 3.421 N/A ARG 180.A N GLU 176.A O no hydrogen 2.717 N/A PHE 183.A N LEU 163.A O no hydrogen 2.919 N/A HIS 184.A ND1 GLU 160.A OE2 no hydrogen 2.775 N/A ASP 189.A N ALA 185.A O no hydrogen 3.130 N/A VAL 190.A N GLU 186.A O no hydrogen 2.962 N/A TRP 191.A N PRO 187.A O no hydrogen 2.909 N/A SER 192.A N.A VAL 188.A O no hydrogen 3.062 N/A SER 192.A N.B VAL 188.A O no hydrogen 3.056 N/A SER 192.A OG.A VAL 188.A O no hydrogen 3.219 N/A SER 192.A OG.A ASP 189.A O no hydrogen 2.764 N/A SER 192.A OG.B TYR 172.A O no hydrogen 2.801 N/A SER 192.A OG.B VAL 188.A O no hydrogen 3.240 N/A CYS 193.A N ASP 189.A O no hydrogen 3.034 N/A CYS 193.A SG ASP 189.A O no hydrogen 3.249 N/A GLY 194.A N VAL 190.A O no hydrogen 3.030 N/A ILE 195.A N TRP 191.A O no hydrogen 3.030 N/A VAL 196.A N SER 192.A O.A no hydrogen 2.960 N/A VAL 196.A N SER 192.A O.B no hydrogen 2.959 N/A LEU 197.A N CYS 193.A O no hydrogen 2.926 N/A THR 198.A N GLY 194.A O no hydrogen 2.962 N/A THR 198.A OG1 GLY 194.A O no hydrogen 2.987 N/A ALA 199.A N ILE 195.A O no hydrogen 2.957 N/A MET 200.A N VAL 196.A O no hydrogen 2.935 N/A LEU 201.A N LEU 197.A O no hydrogen 2.955 N/A ALA 202.A N THR 198.A O no hydrogen 2.933 N/A GLY 203.A N ALA 199.A O no hydrogen 2.806 N/A SER 211.A N GLN 209.A O no hydrogen 2.800 N/A SER 211.A OG SER 213.A OG no hydrogen 2.626 N/A SER 213.A N SER 211.A OG no hydrogen 2.975 N/A SER 213.A OG SER 211.A OG no hydrogen 2.626 N/A CYS 214.A N SER 211.A O no hydrogen 2.791 N/A CYS 214.A SG GLN 209.A OE1 no hydrogen 3.965 N/A CYS 214.A SG GLU 216.A OE2 no hydrogen 3.720 N/A TYR 217.A OH GLU 247.A OE1 no hydrogen 2.570 N/A SER 218.A N CYS 214.A O no hydrogen 3.124 N/A SER 218.A OG CYS 214.A O no hydrogen 3.376 N/A ASP 219.A N GLN 215.A O no hydrogen 2.888 N/A TRP 220.A N GLU 216.A O no hydrogen 3.000 N/A TRP 220.A NE1 LEU 245.A O no hydrogen 3.035 N/A LYS 221.A N TYR 217.A O no hydrogen 2.973 N/A LYS 221.A NZ ASP 212.A OD1 no hydrogen 2.900 N/A LYS 221.A NZ GLU 247.A OE1 no hydrogen 2.868 N/A LYS 221.A NZ GLU 247.A OE2 no hydrogen 3.476 N/A GLU 222.A N SER 218.A O no hydrogen 2.864 N/A LYS 223.A N TRP 220.A O no hydrogen 2.895 N/A LYS 224.A N ASP 219.A O no hydrogen 3.032 N/A LYS 224.A NZ ASP 219.A OD2 no hydrogen 3.241 N/A THR 225.A N LYS 223.A O no hydrogen 2.845 N/A LEU 227.A N LYS 224.A O no hydrogen 3.099 N/A LYS 231.A N LEU 227.A O no hydrogen 2.930 N/A LYS 231.A NZ ASN 228.A OD1 no hydrogen 3.226 N/A LYS 232.A N PRO 229.A O no hydrogen 2.951 N/A LYS 232.A NZ ASP 98.A O no hydrogen 3.147 N/A LYS 232.A NZ ASP 98.A OD1 no hydrogen 3.416 N/A LYS 232.A NZ ALA 202.A O no hydrogen 2.959 N/A LYS 232.A NZ GLU 204.A OE2 no hydrogen 2.612 N/A ILE 233.A N TRP 230.A O no hydrogen 2.899 N/A ALA 236.A N ASP 234.A OD1 no hydrogen 3.106 N/A LEU 238.A N ASP 234.A O no hydrogen 2.955 N/A ALA 239.A N SER 235.A O no hydrogen 2.900 N/A LEU 240.A N ALA 236.A O no hydrogen 3.226 N/A LEU 241.A N PRO 237.A O no hydrogen 2.908 N/A HIS 242.A N LEU 238.A O no hydrogen 2.840 N/A LYS 243.A N ALA 239.A O no hydrogen 3.141 N/A LYS 243.A NZ ASP 261.A OD1 no hydrogen 2.709 N/A ILE 244.A N LEU 240.A O no hydrogen 2.984 N/A LEU 245.A N LEU 241.A O no hydrogen 2.894 N/A VAL 246.A N ILE 244.A O no hydrogen 2.745 N/A SER 250.A N ASN 248.A OD1 no hydrogen 3.393 N/A SER 250.A OG ASN 248.A OD1 no hydrogen 3.054 N/A ALA 251.A N ASN 248.A O no hydrogen 2.922 N/A ARG 252.A N PRO 249.A O no hydrogen 3.262 N/A ARG 252.A NE VAL 246.A O no hydrogen 2.878 N/A ARG 252.A NH1 GLU 176.A OE1 no hydrogen 3.518 N/A ARG 252.A NH1 GLU 176.A OE2 no hydrogen 2.835 N/A ARG 252.A NH1 PRO 187.A O no hydrogen 2.840 N/A ARG 252.A NH2 GLU 176.A OE1 no hydrogen 2.809 N/A ARG 252.A NH2 VAL 246.A O no hydrogen 2.976 N/A ARG 252.A NH2 GLU 247.A O no hydrogen 3.056 N/A ILE 253.A N LYS 243.A O no hydrogen 3.346 N/A ILE 258.A N THR 254.A O no hydrogen 2.892 N/A LYS 259.A N ILE 255.A O no hydrogen 2.946 N/A LYS 260.A N ASP 257.A O no hydrogen 3.173 N/A LYS 260.A NZ ASP 257.A OD2 no hydrogen 3.256 N/A ASP 261.A N ILE 258.A O no hydrogen 2.955 N/A TRP 263.A NE1 GLU 103.A OE2 no hydrogen 2.754 N/A TYR 264.A N ASP 261.A OD2 no hydrogen 2.867 N/A ASN 265.A N ASP 261.A O no hydrogen 3.156 N/A ASN 265.A N ARG 262.A O no hydrogen 3.189 N/A ASN 265.A ND2 LYS 259.A O no hydrogen 2.761 N/A ASN 265.A ND2 ASP 261.A O no hydrogen 2.900 N/A LYS 266.A N TRP 263.A O no hydrogen 2.995 N/A