Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pyi_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N ASP 5.A OD1 no hydrogen 2.637 N/A GLU 8.A N ASP 5.A O no hydrogen 2.759 N/A VAL 9.A N VAL 83.A O no hydrogen 2.916 N/A ARG 11.A NH1 PRO 89.A O no hydrogen 2.625 N/A ARG 11.A NH2 GLN 86.A O no hydrogen 2.803 N/A ARG 11.A NH2 PRO 89.A O no hydrogen 3.055 N/A LYS 13.A N ALA 10.A O no hydrogen 2.800 N/A ILE 14.A N ARG 11.A O no hydrogen 3.171 N/A THR 15.A N VAL 32.A O no hydrogen 2.803 N/A SER 17.A N GLU 30.A O no hydrogen 2.915 N/A LEU 20.A N VAL 28.A O no hydrogen 2.793 N/A GLY 23.A N GLY 26.A O no hydrogen 3.028 N/A SER 24.A OG ASP 160.A OD1 no hydrogen 2.952 N/A SER 24.A OG ASP 160.A OD2 no hydrogen 3.338 N/A VAL 28.A N GLY 21.A O no hydrogen 3.095 N/A TYR 29.A N ILE 47.A O no hydrogen 2.676 N/A GLU 30.A N ARG 18.A O no hydrogen 2.868 N/A VAL 32.A N THR 15.A O no hydrogen 2.811 N/A ALA 33.A N THR 43.A O no hydrogen 2.917 N/A LYS 34.A N LYS 13.A O no hydrogen 3.097 N/A GLY 35.A N PRO 41.A O no hydrogen 2.763 N/A THR 43.A N ALA 33.A O no hydrogen 2.940 N/A THR 43.A OG1 GLU 40.A OE2 no hydrogen 3.231 N/A ARG 44.A NE GLU 30.A OE2 no hydrogen 3.239 N/A ARG 44.A NH2 GLU 30.A OE2 no hydrogen 2.675 N/A VAL 45.A N GLY 31.A O no hydrogen 3.228 N/A ALA 46.A N MET 94.A O no hydrogen 2.816 N/A ILE 47.A N TYR 29.A O no hydrogen 2.708 N/A LYS 48.A N VAL 92.A O no hydrogen 2.875 N/A LYS 48.A NZ SER 24.A OG no hydrogen 3.049 N/A LYS 48.A NZ ASP 160.A OD2 no hydrogen 3.467 N/A THR 49.A N MET 27.A O no hydrogen 3.016 N/A THR 49.A OG1 MET 27.A O no hydrogen 3.458 N/A VAL 50.A N THR 90.A O no hydrogen 3.274 N/A GLU 58.A N SER 55.A O no hydrogen 2.948 N/A ARG 59.A N SER 55.A O no hydrogen 2.937 N/A ARG 59.A NH1 ALA 54.A O no hydrogen 3.023 N/A ILE 60.A N MET 56.A O no hydrogen 2.999 N/A GLU 61.A N ARG 57.A O no hydrogen 3.244 N/A PHE 62.A N GLU 58.A O no hydrogen 2.925 N/A ASN 64.A N ILE 60.A O no hydrogen 3.022 N/A GLU 65.A N GLU 61.A O no hydrogen 2.876 N/A ALA 66.A N PHE 62.A O no hydrogen 3.038 N/A SER 67.A N LEU 63.A O no hydrogen 2.768 N/A SER 67.A OG LEU 63.A O no hydrogen 2.714 N/A VAL 68.A N ASN 64.A O no hydrogen 3.328 N/A VAL 68.A N GLU 65.A O no hydrogen 3.277 N/A MET 69.A N ALA 66.A O no hydrogen 2.819 N/A LYS 70.A N SER 67.A O no hydrogen 3.070 N/A LYS 70.A NZ TYR 2.A OH no hydrogen 2.940 N/A LYS 70.A NZ ASP 5.A OD2 no hydrogen 3.160 N/A LYS 70.A NZ SER 67.A OG no hydrogen 3.381 N/A GLU 71.A N VAL 68.A O no hydrogen 3.319 N/A PHE 72.A N MET 69.A O no hydrogen 3.165 N/A ASN 73.A N TYR 132.A OH no hydrogen 2.878 N/A HIS 76.A ND1 ASP 128.A OD2 no hydrogen 2.738 N/A VAL 77.A N CYS 74.A O no hydrogen 3.156 N/A VAL 78.A N ILE 158.A O no hydrogen 3.112 N/A ARG 79.A N GLU 95.A OE1 no hydrogen 3.147 N/A LEU 81.A N ILE 93.A O no hydrogen 3.090 N/A GLY 82.A N ILE 93.A O no hydrogen 3.340 N/A VAL 83.A N TRP 7.A O no hydrogen 3.025 N/A VAL 84.A N LEU 91.A O no hydrogen 2.831 N/A SER 85.A N GLU 8.A OE2 no hydrogen 2.800 N/A SER 85.A OG GLU 8.A OE2 no hydrogen 2.250 N/A LEU 91.A N VAL 84.A O no hydrogen 3.035 N/A VAL 92.A N LYS 48.A O no hydrogen 2.915 N/A ILE 93.A N GLY 82.A O no hydrogen 2.832 N/A MET 94.A N ALA 46.A O no hydrogen 2.767 N/A GLU 95.A N ARG 79.A O no hydrogen 2.892 N/A THR 98.A OG1 GLU 152.A OE1 no hydrogen 2.968 N/A ARG 99.A N VAL 150.A O no hydrogen 3.128 N/A ARG 99.A NE GLU 152.A O no hydrogen 2.852 N/A ARG 99.A NH2 GLU 152.A O no hydrogen 3.218 N/A GLY 100.A N MET 97.A O no hydrogen 3.301 N/A LEU 102.A N CYS 148.A O no hydrogen 2.742 N/A SER 104.A N ASP 101.A OD2 no hydrogen 2.877 N/A SER 104.A OG ASP 101.A OD1 no hydrogen 2.977 N/A SER 104.A OG ASP 101.A OD2 no hydrogen 3.009 N/A TYR 105.A N ASP 101.A O no hydrogen 3.082 N/A LEU 106.A N LEU 102.A O no hydrogen 2.803 N/A ARG 107.A N LYS 103.A O no hydrogen 2.866 N/A ARG 107.A NE ALA 211.A O no hydrogen 2.850 N/A SER 108.A N SER 104.A O no hydrogen 2.922 N/A SER 108.A OG TYR 105.A O no hydrogen 2.521 N/A LEU 109.A N LEU 106.A O no hydrogen 3.254 N/A ARG 110.A N ARG 107.A O no hydrogen 3.210 N/A SER 117.A OG GLU 271.A OE1 no hydrogen 3.490 N/A LYS 118.A N SER 115.A OG no hydrogen 3.004 N/A LYS 118.A NZ TYR 105.A OH no hydrogen 3.139 N/A MET 119.A N SER 115.A O no hydrogen 3.172 N/A MET 119.A N LEU 116.A O no hydrogen 3.249 N/A ILE 120.A N LEU 116.A O no hydrogen 2.960 N/A GLN 121.A N SER 117.A O no hydrogen 3.279 N/A MET 122.A N LYS 118.A O no hydrogen 3.422 N/A ALA 123.A N MET 119.A O no hydrogen 2.928 N/A GLY 124.A N ILE 120.A O no hydrogen 2.963 N/A GLU 125.A N GLN 121.A O no hydrogen 3.037 N/A ILE 126.A N MET 122.A O no hydrogen 2.960 N/A ALA 127.A N ALA 123.A O no hydrogen 2.778 N/A ASP 128.A N GLY 124.A O no hydrogen 2.782 N/A GLY 129.A N GLU 125.A O no hydrogen 2.978 N/A MET 130.A N ILE 126.A O no hydrogen 2.945 N/A ALA 131.A N ALA 127.A O no hydrogen 2.836 N/A TYR 132.A N ASP 128.A O no hydrogen 2.904 N/A LEU 133.A N GLY 129.A O no hydrogen 2.962 N/A ASN 134.A N MET 130.A O no hydrogen 2.926 N/A ALA 135.A N ALA 131.A O no hydrogen 2.953 N/A ASN 136.A N TYR 132.A O no hydrogen 3.107 N/A ASN 136.A ND2 TYR 132.A O no hydrogen 2.773 N/A LYS 137.A N ASN 134.A O no hydrogen 3.165 N/A PHE 138.A N LEU 133.A O no hydrogen 2.920 N/A HIS 140.A N ASP 196.A OD2 no hydrogen 2.767 N/A HIS 140.A NE2 GLY 159.A O no hydrogen 2.920 N/A ARG 141.A N ASP 196.A OD1 no hydrogen 2.982 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.198 N/A ALA 145.A N GLU 206.A OE1 no hydrogen 2.860 N/A ARG 146.A NH2 ASP 142.A OD1 no hydrogen 2.849 N/A ASN 147.A N ALA 144.A O no hydrogen 2.800 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.887 N/A CYS 148.A N ALA 145.A O no hydrogen 3.106 N/A CYS 148.A SG ALA 144.A O no hydrogen 3.630 N/A MET 149.A N LYS 157.A O no hydrogen 2.809 N/A VAL 150.A N GLY 100.A O no hydrogen 2.845 N/A ALA 151.A N THR 155.A O no hydrogen 2.867 N/A PHE 154.A N ALA 151.A O no hydrogen 3.048 N/A THR 155.A OG1 ASP 153.A OD1 no hydrogen 3.130 N/A THR 155.A OG1 ASP 153.A OD2 no hydrogen 3.128 N/A VAL 156.A N GLU 125.A OE1 no hydrogen 3.011 N/A LYS 157.A N MET 149.A O no hydrogen 2.817 N/A LYS 157.A NZ HIS 75.A O no hydrogen 2.910 N/A LYS 157.A NZ GLU 95.A OE2 no hydrogen 2.709 N/A ILE 158.A N HIS 76.A O no hydrogen 2.877 N/A GLY 159.A N ASN 147.A O no hydrogen 2.720 N/A THR 164.A N PHE 161.A O no hydrogen 3.524 N/A THR 164.A OG1 PHE 161.A O no hydrogen 3.296 N/A ARG 165.A N GLY 162.A O no hydrogen 3.074 N/A ARG 165.A NH1 VAL 139.A O no hydrogen 2.913 N/A ARG 165.A NH1 HIS 140.A O no hydrogen 2.974 N/A ASP 166.A N GLU 169.A OE2 no hydrogen 3.236 N/A THR 170.A OG1 GLU 169.A O no hydrogen 2.347 N/A ASP 171.A N THR 170.A OG1 no hydrogen 2.796 N/A ARG 179.A NE ASN 220.A OD1 no hydrogen 3.026 N/A ARG 179.A NH1 PRO 214.A O no hydrogen 2.781 N/A ARG 179.A NH1 TYR 215.A O no hydrogen 3.100 N/A ARG 179.A NH1 LEU 218.A O no hydrogen 3.527 N/A ARG 179.A NH2 LEU 218.A O no hydrogen 2.849 N/A ARG 179.A NH2 ASN 220.A OD1 no hydrogen 3.295 N/A TRP 180.A N PRO 177.A O no hydrogen 2.888 N/A TRP 180.A NE1 GLU 206.A OE1 no hydrogen 2.946 N/A MET 181.A N VAL 178.A O no hydrogen 3.230 N/A SER 182.A OG SER 185.A OG no hydrogen 2.908 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.879 N/A SER 185.A N SER 182.A OG no hydrogen 3.160 N/A SER 185.A OG SER 182.A OG no hydrogen 2.908 N/A SER 185.A OG VAL 190.A O no hydrogen 2.653 N/A LEU 186.A N SER 182.A O no hydrogen 2.955 N/A LYS 187.A N PRO 183.A O no hydrogen 2.829 N/A ASP 188.A N GLU 184.A O no hydrogen 2.989 N/A GLY 189.A N SER 185.A O no hydrogen 2.991 N/A VAL 190.A N GLU 184.A O no hydrogen 3.481 N/A THR 192.A N SER 195.A OG no hydrogen 3.066 N/A TYR 194.A N THR 192.A OG1 no hydrogen 2.997 N/A SER 195.A N THR 192.A OG1 no hydrogen 3.332 N/A SER 195.A OG THR 192.A O no hydrogen 2.746 N/A ASP 196.A N THR 192.A O no hydrogen 3.100 N/A VAL 197.A N THR 193.A O no hydrogen 2.946 N/A TRP 198.A N TYR 194.A O no hydrogen 3.267 N/A SER 199.A N SER 195.A O no hydrogen 3.200 N/A SER 199.A OG TRP 180.A O no hydrogen 2.853 N/A SER 199.A OG SER 195.A O no hydrogen 3.219 N/A PHE 200.A N ASP 196.A O no hydrogen 2.937 N/A GLY 201.A N VAL 197.A O no hydrogen 3.095 N/A VAL 202.A N TRP 198.A O no hydrogen 3.239 N/A VAL 203.A N SER 199.A O no hydrogen 2.924 N/A LEU 204.A N PHE 200.A O no hydrogen 2.944 N/A TRP 205.A N GLY 201.A O no hydrogen 3.138 N/A TRP 205.A NE1 ASP 234.A O no hydrogen 3.057 N/A GLU 206.A N VAL 202.A O no hydrogen 2.875 N/A ILE 207.A N VAL 203.A O no hydrogen 2.852 N/A ALA 208.A N LEU 204.A O no hydrogen 2.884 N/A THR 209.A N TRP 205.A O no hydrogen 2.996 N/A THR 209.A N GLU 206.A O no hydrogen 3.271 N/A THR 209.A OG1 TRP 205.A O no hydrogen 2.949 N/A THR 209.A OG1 GLU 206.A O no hydrogen 3.187 N/A LEU 210.A N ILE 207.A O no hydrogen 3.439 N/A ALA 211.A N GLU 206.A O no hydrogen 2.638 N/A GLU 212.A N THR 209.A OG1 no hydrogen 3.161 N/A LEU 218.A N TYR 215.A O no hydrogen 3.088 N/A SER 219.A N GLN 222.A OE1 no hydrogen 3.124 N/A GLN 222.A N SER 219.A OG no hydrogen 3.244 N/A VAL 223.A N SER 219.A O no hydrogen 2.981 N/A LEU 224.A N ASN 220.A O no hydrogen 3.093 N/A ARG 225.A N GLU 221.A O no hydrogen 3.342 N/A PHE 226.A N GLN 222.A O no hydrogen 2.888 N/A VAL 227.A N VAL 223.A O no hydrogen 2.925 N/A MET 228.A N LEU 224.A O no hydrogen 3.234 N/A GLU 229.A N ARG 225.A O no hydrogen 2.952 N/A GLY 230.A N VAL 227.A O no hydrogen 3.005 N/A GLY 231.A N PHE 226.A O no hydrogen 2.784 N/A LYS 235.A NZ ASP 241.A OD1 no hydrogen 3.545 N/A CYS 239.A N PRO 236.A O no hydrogen 3.077 N/A CYS 239.A SG PRO 240.A O no hydrogen 3.366 N/A LEU 243.A N PRO 240.A O no hydrogen 3.206 N/A PHE 244.A N PRO 240.A O no hydrogen 3.230 N/A GLU 245.A N ASP 241.A O no hydrogen 2.951 N/A MET 247.A N LEU 243.A O no hydrogen 3.002 N/A ARG 248.A N PHE 244.A O no hydrogen 2.997 N/A MET 249.A N GLU 245.A O no hydrogen 3.205 N/A CYS 250.A N LEU 246.A O no hydrogen 3.061 N/A CYS 250.A SG LEU 246.A O no hydrogen 3.338 N/A TRP 251.A N MET 247.A O no hydrogen 2.936 N/A TYR 253.A OH MET 228.A O no hydrogen 2.491 N/A LYS 256.A N ASN 254.A OD1 no hydrogen 3.004 N/A MET 257.A N ASN 254.A O no hydrogen 3.120 N/A ARG 258.A N PRO 255.A O no hydrogen 2.873 N/A ARG 258.A NE GLN 252.A O no hydrogen 2.765 N/A ARG 258.A NH1 GLU 184.A OE2 no hydrogen 2.743 N/A ARG 258.A NH1 TYR 194.A O no hydrogen 2.970 N/A ARG 258.A NH2 GLU 184.A OE1 no hydrogen 2.810 N/A ARG 258.A NH2 GLU 184.A OE2 no hydrogen 3.560 N/A ARG 258.A NH2 GLN 252.A O no hydrogen 3.210 N/A SER 260.A OG GLU 263.A OE1 no hydrogen 3.458 N/A GLU 263.A N SER 260.A OG no hydrogen 3.166 N/A ILE 264.A N SER 260.A O no hydrogen 3.052 N/A ILE 265.A N PHE 261.A O no hydrogen 2.956 N/A SER 266.A N LEU 262.A O no hydrogen 2.889 N/A SER 266.A OG LEU 262.A O no hydrogen 3.306 N/A SER 266.A OG TYR 282.A OH no hydrogen 2.652 N/A SER 267.A N GLU 263.A O no hydrogen 3.126 N/A SER 267.A N ILE 264.A O no hydrogen 3.215 N/A SER 267.A OG ILE 264.A O no hydrogen 2.711 N/A ILE 268.A N ILE 265.A O no hydrogen 2.874 N/A LYS 269.A NZ TYR 282.A OH no hydrogen 3.177 N/A GLU 271.A N ILE 268.A O no hydrogen 2.954 N/A MET 272.A N LYS 269.A O no hydrogen 3.303 N/A GLU 273.A N GLN 121.A OE1 no hydrogen 3.016 N/A ARG 277.A N PRO 274.A O no hydrogen 3.303 N/A GLU 278.A N GLY 275.A O no hydrogen 2.853 N/A SER 280.A N PHE 276.A O no hydrogen 2.995 N/A PHE 281.A N ASP 128.A OD2 no hydrogen 2.856 N/A TYR 282.A N ASP 128.A OD1 no hydrogen 2.749 N/A TYR 282.A OH SER 266.A OG no hydrogen 2.652 N/A TYR 283.A N SER 280.A OG no hydrogen 3.060 N/A SER 284.A N PHE 281.A O no hydrogen 3.093 N/A SER 284.A OG PHE 281.A O no hydrogen 2.975 N/A GLU 286.A N SER 284.A OG no hydrogen 3.103 N/A ASN 287.A N SER 284.A O no hydrogen 3.341 N/A ASN 287.A ND2 TYR 282.A O no hydrogen 2.747 N/A