Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3apt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 101.A OE1 no hydrogen 2.820 N/A LYS 2.A NZ GLU 101.A OE2 no hydrogen 3.456 N/A ILE 3.A N ASN 102.A OD1 no hydrogen 2.669 N/A ARG 4.A N SER 143.A OG no hydrogen 3.156 N/A ARG 4.A NH1 VAL 142.A O no hydrogen 3.067 N/A ARG 4.A NH1 ASP 175.A OD2 no hydrogen 3.383 N/A ARG 4.A NH2 ASP 140.A O no hydrogen 3.094 N/A ASP 5.A N LYS 2.A O no hydrogen 2.994 N/A LEU 6.A N LYS 2.A O no hydrogen 3.180 N/A LEU 7.A N ILE 3.A O no hydrogen 2.866 N/A LYS 8.A N ARG 4.A O no hydrogen 2.906 N/A ALA 9.A N ASP 5.A O no hydrogen 3.109 N/A ARG 10.A N LEU 7.A O no hydrogen 3.199 N/A LEU 14.A N GLU 267.A O no hydrogen 2.898 N/A SER 16.A N VAL 269.A O no hydrogen 3.062 N/A SER 16.A OG HIS 270.A ND1 no hydrogen 2.666 N/A PHE 17.A N PHE 45.A O no hydrogen 3.298 N/A GLU 18.A N PHE 271.A O no hydrogen 2.860 N/A PHE 19.A N SER 47.A O no hydrogen 2.851 N/A GLY 27.A N ASP 24.A OD1 no hydrogen 2.932 N/A GLU 28.A N ASP 24.A O no hydrogen 2.915 N/A GLU 29.A N PRO 25.A O no hydrogen 2.954 N/A ALA 30.A N GLU 26.A O no hydrogen 2.711 N/A LEU 31.A N GLY 27.A O no hydrogen 2.826 N/A PHE 32.A N GLU 28.A O no hydrogen 2.950 N/A ARG 33.A N GLU 29.A O no hydrogen 2.930 N/A ARG 33.A NH2 GLU 36.A OE2 no hydrogen 3.061 N/A THR 34.A N ALA 30.A O no hydrogen 2.872 N/A LEU 35.A N LEU 31.A O no hydrogen 2.825 N/A GLU 36.A N PHE 32.A O no hydrogen 2.930 N/A GLU 37.A N ARG 33.A O no hydrogen 3.039 N/A LEU 38.A N THR 34.A O no hydrogen 2.962 N/A LYS 39.A N LEU 35.A O no hydrogen 3.266 N/A LYS 39.A N GLU 36.A O no hydrogen 3.346 N/A LYS 39.A NZ LEU 70.A O no hydrogen 3.160 N/A ALA 40.A N GLU 37.A O no hydrogen 3.295 N/A PHE 41.A N LEU 38.A O no hydrogen 2.846 N/A ARG 42.A N LYS 39.A O no hydrogen 2.926 N/A ALA 44.A N PHE 15.A O no hydrogen 2.868 N/A VAL 46.A N ASN 73.A O no hydrogen 3.010 N/A SER 47.A N PHE 17.A O no hydrogen 2.982 N/A THR 49.A N PHE 19.A O no hydrogen 2.869 N/A TYR 50.A OH GLN 83.A OE1 no hydrogen 3.400 N/A GLY 51.A N SER 55.A OG no hydrogen 2.846 N/A SER 55.A OG GLY 54.A O no hydrogen 2.239 N/A ARG 57.A NH1 GLN 83.A OE1 no hydrogen 3.502 N/A ARG 59.A NH2 GLU 28.A OE1 no hydrogen 2.920 N/A SER 60.A N THR 56.A O no hydrogen 2.865 N/A SER 60.A OG THR 56.A O no hydrogen 2.832 N/A SER 60.A OG ARG 57.A O no hydrogen 3.073 N/A VAL 61.A N ARG 57.A O no hydrogen 3.244 N/A ALA 62.A N GLU 58.A O no hydrogen 3.030 N/A TRP 63.A N ARG 59.A O no hydrogen 2.884 N/A TRP 63.A NE1 GLU 28.A OE1 no hydrogen 2.674 N/A ALA 64.A N SER 60.A O no hydrogen 3.098 N/A GLN 65.A N VAL 61.A O no hydrogen 3.066 N/A ARG 66.A N ALA 62.A O no hydrogen 2.862 N/A ARG 66.A NH2 GLU 29.A OE1 no hydrogen 2.901 N/A ILE 67.A N TRP 63.A O no hydrogen 2.848 N/A GLN 68.A N ALA 64.A O no hydrogen 3.066 N/A GLN 68.A NE2 ALA 64.A O no hydrogen 3.501 N/A GLN 68.A NE2 SER 98.A O no hydrogen 3.219 N/A SER 69.A N GLN 65.A O no hydrogen 2.923 N/A SER 69.A OG ARG 66.A O no hydrogen 2.483 N/A LEU 70.A N ARG 66.A O no hydrogen 3.154 N/A LEU 70.A N ILE 67.A O no hydrogen 3.120 N/A GLY 71.A N GLN 68.A O no hydrogen 2.877 N/A LEU 72.A N ILE 67.A O no hydrogen 3.277 N/A ASN 73.A ND2 MET 1.A O no hydrogen 2.989 N/A ASN 73.A ND2 ALA 44.A O no hydrogen 3.272 N/A LEU 75.A N VAL 46.A O no hydrogen 2.930 N/A ALA 76.A N ASN 102.A O no hydrogen 2.973 N/A LEU 78.A N LEU 104.A O no hydrogen 2.884 N/A VAL 80.A N LEU 106.A O no hydrogen 3.232 N/A VAL 80.A N ARG 107.A O no hydrogen 3.004 N/A ALA 81.A N ARG 107.A O no hydrogen 2.848 N/A GLN 83.A NE2 THR 79.A O no hydrogen 2.910 N/A GLN 83.A NE2 THR 79.A OG1 no hydrogen 3.298 N/A GLN 83.A NE2 ALA 81.A O no hydrogen 2.960 N/A SER 84.A N GLU 87.A OE1 no hydrogen 2.913 N/A ARG 85.A N GLU 122.A O no hydrogen 2.845 N/A GLU 87.A N SER 84.A OG no hydrogen 2.978 N/A VAL 88.A N SER 84.A O no hydrogen 3.006 N/A ALA 89.A N ARG 85.A O no hydrogen 3.000 N/A GLU 90.A N LYS 86.A O no hydrogen 2.985 N/A VAL 91.A N GLU 87.A O no hydrogen 3.112 N/A LEU 92.A N VAL 88.A O no hydrogen 2.953 N/A HIS 93.A N ALA 89.A O no hydrogen 3.032 N/A ARG 94.A N GLU 90.A O no hydrogen 2.963 N/A PHE 95.A N VAL 91.A O no hydrogen 2.941 N/A VAL 96.A N LEU 92.A O no hydrogen 2.911 N/A GLU 97.A N HIS 93.A O no hydrogen 2.784 N/A SER 98.A N ARG 94.A O no hydrogen 3.156 N/A SER 98.A N PHE 95.A O no hydrogen 3.166 N/A SER 98.A OG ARG 94.A O no hydrogen 2.456 N/A GLY 99.A N VAL 96.A O no hydrogen 2.960 N/A VAL 100.A N PHE 95.A O no hydrogen 3.033 N/A ASN 102.A ND2 MET 1.A O no hydrogen 2.833 N/A ASN 102.A ND2 ASN 73.A OD1 no hydrogen 3.033 N/A LEU 103.A N SER 143.A O no hydrogen 3.002 N/A LEU 104.A N ALA 76.A O no hydrogen 2.777 N/A ALA 105.A N GLY 145.A O no hydrogen 2.909 N/A LEU 106.A N LEU 78.A O no hydrogen 2.942 N/A ARG 107.A NH1 ARG 125.A O no hydrogen 2.564 N/A GLU 114.A N PRO 111.A O no hydrogen 3.003 N/A GLU 122.A N HIS 120.A ND1 no hydrogen 3.137 N/A GLY 123.A N HIS 120.A O no hydrogen 2.900 N/A ARG 125.A N GLU 129.A OE1 no hydrogen 2.691 N/A TYR 126.A N GLU 129.A OE1 no hydrogen 3.283 N/A GLU 129.A N TYR 126.A O no hydrogen 2.919 N/A VAL 131.A N ALA 127.A O no hydrogen 2.957 N/A ALA 132.A N ALA 128.A O no hydrogen 3.064 N/A LEU 133.A N GLU 129.A O no hydrogen 3.048 N/A ILE 134.A N LEU 130.A O no hydrogen 2.925 N/A ARG 135.A N VAL 131.A O no hydrogen 2.964 N/A ARG 135.A NE GLY 173.A O no hydrogen 2.949 N/A ARG 135.A NH1 GLY 139.A O no hydrogen 2.889 N/A ARG 135.A NH1 VAL 142.A O no hydrogen 2.863 N/A ARG 135.A NH2 GLY 173.A O no hydrogen 3.021 N/A ARG 135.A NH2 ASP 175.A OD2 no hydrogen 3.070 N/A GLU 136.A N ALA 132.A O no hydrogen 2.935 N/A ARG 137.A N LEU 133.A O no hydrogen 2.884 N/A ARG 137.A NH1 ARG 137.A O no hydrogen 2.973 N/A TYR 138.A N ILE 134.A O no hydrogen 2.807 N/A GLY 139.A N ARG 135.A O no hydrogen 2.929 N/A ARG 141.A N TYR 138.A O no hydrogen 3.019 N/A ARG 141.A NH2 GLU 97.A OE1 no hydrogen 3.401 N/A SER 143.A N GLU 101.A O no hydrogen 2.847 N/A SER 143.A OG ASP 175.A OD2 no hydrogen 2.730 N/A VAL 144.A N ASP 175.A OD2 no hydrogen 3.314 N/A GLY 145.A N LEU 103.A O no hydrogen 2.823 N/A GLY 146.A N PHE 176.A O no hydrogen 3.229 N/A ALA 148.A N ILE 178.A O no hydrogen 2.954 N/A GLY 152.A N TYR 149.A O no hydrogen 2.848 N/A HIS 153.A N ASP 162.A OD1 no hydrogen 2.920 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.950 N/A SER 156.A N HIS 153.A O no hydrogen 3.052 N/A SER 156.A OG ASP 162.A OD1 no hydrogen 2.599 N/A SER 158.A OG GLU 157.A OE2 no hydrogen 3.097 N/A ALA 161.A N SER 158.A OG no hydrogen 2.961 N/A ASP 162.A N SER 158.A O no hydrogen 3.073 N/A LEU 163.A N LEU 159.A O no hydrogen 2.857 N/A ARG 164.A N GLU 160.A O no hydrogen 3.013 N/A HIS 165.A N ALA 161.A O no hydrogen 2.918 N/A PHE 166.A N ASP 162.A O no hydrogen 2.936 N/A LYS 167.A N LEU 163.A O no hydrogen 2.854 N/A LYS 167.A NZ ALA 198.A O no hydrogen 3.013 N/A ALA 168.A N ARG 164.A O no hydrogen 3.115 N/A LYS 169.A N HIS 165.A O no hydrogen 2.925 N/A LYS 169.A NZ ALA 147.A O no hydrogen 3.010 N/A VAL 170.A N PHE 166.A O no hydrogen 2.897 N/A GLU 171.A N LYS 167.A O no hydrogen 2.944 N/A ALA 172.A N ALA 168.A O no hydrogen 3.024 N/A ALA 172.A N LYS 169.A O no hydrogen 3.204 N/A GLY 173.A N VAL 170.A O no hydrogen 2.935 N/A LEU 174.A N VAL 170.A O no hydrogen 2.985 N/A ASP 175.A N VAL 144.A O no hydrogen 2.731 N/A ALA 177.A N PRO 203.A O no hydrogen 2.964 N/A ILE 178.A N GLY 146.A O no hydrogen 3.007 N/A THR 179.A N LEU 205.A O no hydrogen 2.888 N/A THR 179.A OG1 GLN 180.A O no hydrogen 2.860 N/A GLN 180.A N ALA 148.A O no hydrogen 2.865 N/A LEU 181.A N GLN 180.A OE1 no hydrogen 2.854 N/A ASN 185.A ND2 GLN 257.A O no hydrogen 2.997 N/A ASN 185.A ND2 GLU 260.A OE1 no hydrogen 2.906 N/A ALA 186.A N ASN 184.A OD1 no hydrogen 2.943 N/A HIS 187.A N ASN 184.A O no hydrogen 3.037 N/A HIS 187.A ND1 GLU 151.A OE1 no hydrogen 2.699 N/A TYR 188.A OH ILE 204.A O no hydrogen 2.698 N/A PHE 189.A N ASN 185.A O no hydrogen 2.924 N/A GLY 190.A N ALA 186.A O no hydrogen 2.833 N/A PHE 191.A N HIS 187.A O no hydrogen 3.022 N/A LEU 192.A N TYR 188.A O no hydrogen 2.922 N/A GLU 193.A N PHE 189.A O no hydrogen 3.004 N/A ARG 194.A N GLY 190.A O no hydrogen 3.018 N/A ARG 194.A NH1 PRO 150.A O no hydrogen 3.209 N/A ALA 195.A N PHE 191.A O no hydrogen 2.828 N/A ARG 196.A N LEU 192.A O no hydrogen 2.794 N/A ARG 196.A NE GLU 193.A OE2 no hydrogen 3.259 N/A ARG 196.A NH1 GLU 193.A OE1 no hydrogen 3.249 N/A ARG 196.A NH1 GLU 193.A OE2 no hydrogen 3.179 N/A ARG 197.A N GLU 193.A O no hydrogen 2.885 N/A ALA 198.A N ARG 194.A O no hydrogen 3.146 N/A ALA 198.A N ALA 195.A O no hydrogen 3.083 N/A GLY 199.A N ARG 196.A O no hydrogen 3.099 N/A ILE 200.A N ALA 195.A O no hydrogen 2.903 N/A ILE 204.A N GLU 267.A OE1 no hydrogen 3.084 N/A LEU 205.A N ALA 177.A O no hydrogen 2.856 N/A GLY 207.A N THR 179.A OG1 no hydrogen 2.841 N/A ILE 208.A N HIS 270.A O no hydrogen 2.778 N/A THR 212.A N GLN 216.A OE1 no hydrogen 2.711 N/A THR 212.A OG1 GLN 216.A OE1 no hydrogen 3.240 N/A SER 213.A N GLN 216.A OE1 no hydrogen 3.231 N/A GLN 216.A N SER 213.A O no hydrogen 3.161 N/A LEU 217.A N TYR 214.A O no hydrogen 3.119 N/A PHE 220.A N GLN 216.A O no hydrogen 2.866 N/A THR 221.A N LEU 217.A O no hydrogen 2.721 N/A THR 221.A OG1 LEU 217.A O no hydrogen 2.952 N/A GLU 222.A N ARG 218.A O no hydrogen 2.963 N/A VAL 223.A N ARG 219.A O no hydrogen 3.010 N/A CYS 224.A N ARG 219.A O no hydrogen 3.000 N/A CYS 224.A SG ARG 219.A O no hydrogen 3.789 N/A ALA 226.A N PHE 220.A O no hydrogen 2.885 N/A SER 227.A N GLU 151.A OE1 no hydrogen 3.405 N/A SER 227.A N GLU 151.A OE2 no hydrogen 3.273 N/A SER 227.A OG GLU 151.A OE1 no hydrogen 2.587 N/A LEU 233.A N PRO 229.A O no hydrogen 2.953 N/A ALA 234.A N GLY 230.A O no hydrogen 3.002 N/A LYS 235.A N PRO 231.A O no hydrogen 3.382 N/A LEU 236.A N LEU 232.A O no hydrogen 3.037 N/A GLU 237.A N LEU 233.A O no hydrogen 3.073 N/A ARG 238.A N ALA 234.A O no hydrogen 3.181 N/A ARG 238.A N LYS 235.A O no hydrogen 3.268 N/A HIS 239.A N LEU 236.A O no hydrogen 2.764 N/A HIS 239.A ND1 LYS 235.A O no hydrogen 2.772 N/A GLN 240.A NE2 GLU 237.A O no hydrogen 2.832 N/A ASP 242.A N HIS 239.A O no hydrogen 2.856 N/A ALA 245.A N ASP 242.A OD1 no hydrogen 3.274 N/A VAL 246.A N ASP 242.A O no hydrogen 2.937 N/A LEU 247.A N PRO 243.A O no hydrogen 3.057 N/A GLU 248.A N LYS 244.A O no hydrogen 3.136 N/A ILE 249.A N ALA 245.A O no hydrogen 2.923 N/A GLY 250.A N VAL 246.A O no hydrogen 2.859 N/A VAL 251.A N LEU 247.A O no hydrogen 2.871 N/A GLU 252.A N GLU 248.A O no hydrogen 3.008 N/A HIS 253.A N ILE 249.A O no hydrogen 3.007 N/A HIS 253.A NE2 PHE 183.A O no hydrogen 2.657 N/A ALA 254.A N GLY 250.A O no hydrogen 2.940 N/A VAL 255.A N VAL 251.A O no hydrogen 2.905 N/A ARG 256.A N GLU 252.A O no hydrogen 3.000 N/A GLN 257.A N HIS 253.A O no hydrogen 2.846 N/A GLN 257.A NE2 PHE 182.A O no hydrogen 3.014 N/A GLN 257.A NE2 ASN 185.A OD1 no hydrogen 3.033 N/A VAL 258.A N ALA 254.A O no hydrogen 2.860 N/A ALA 259.A N VAL 255.A O no hydrogen 2.924 N/A GLU 260.A N ARG 256.A O no hydrogen 3.285 N/A LEU 261.A N GLN 257.A O no hydrogen 3.005 N/A LEU 262.A N VAL 258.A O no hydrogen 2.919 N/A GLU 263.A N ALA 259.A O no hydrogen 3.006 N/A ALA 264.A N GLU 260.A O no hydrogen 2.881 N/A GLY 265.A N LEU 262.A O no hydrogen 3.022 N/A VAL 266.A N LEU 261.A O no hydrogen 3.272 N/A VAL 269.A N LEU 14.A O no hydrogen 2.863 N/A HIS 270.A N PRO 206.A O no hydrogen 2.901 N/A HIS 270.A ND1 SER 16.A OG no hydrogen 2.666 N/A HIS 270.A NE2 GLU 18.A OE1 no hydrogen 2.841 N/A PHE 271.A N SER 16.A O no hydrogen 2.855 N/A TYR 272.A N ILE 208.A O no hydrogen 2.886 N/A TYR 272.A OH THR 179.A O no hydrogen 2.625 N/A THR 273.A N GLU 18.A O no hydrogen 2.905 N/A THR 273.A OG1 PHE 271.A O no hydrogen 3.499 N/A THR 273.A OG1 THR 280.A OG1 no hydrogen 3.330 N/A ASN 275.A ND2 PHE 20.A O no hydrogen 3.301 N/A SER 277.A N LEU 274.A O no hydrogen 3.132 N/A ALA 279.A N SER 277.A OG no hydrogen 3.142 N/A THR 280.A OG1 THR 273.A OG1 no hydrogen 3.330 N/A MET 282.A N PRO 278.A O no hydrogen 2.957 N/A VAL 283.A N ALA 279.A O no hydrogen 2.966 N/A LEU 284.A N THR 280.A O no hydrogen 2.936 N/A GLU 285.A N ARG 281.A O no hydrogen 2.996 N/A ARG 286.A N MET 282.A O no hydrogen 2.997 N/A ARG 286.A NH1 GLU 248.A OE2 no hydrogen 2.898 N/A ARG 286.A NH2 GLU 248.A OE1 no hydrogen 2.834 N/A ARG 286.A NH2 GLU 248.A OE2 no hydrogen 3.532 N/A LEU 287.A N VAL 283.A O no hydrogen 3.097 N/A GLY 288.A N GLU 285.A O no hydrogen 2.978 N/A LEU 289.A N LEU 284.A O no hydrogen 2.953 N/A ARG 290.A NH1 GLU 37.A O no hydrogen 3.389 N/A