Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ois_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 8.A NZ SER 100.A O no hydrogen 3.022 N/A SER 9.A OG ARG 52.A O no hydrogen 2.410 N/A GLY 10.A N ILE 53.A O no hydrogen 3.065 N/A TYR 11.A N LYS 8.A O no hydrogen 2.862 N/A GLY 12.A N GLY 214.A O no hydrogen 3.193 N/A TYR 13.A N GLY 214.A O no hydrogen 3.017 N/A TYR 13.A OH ASP 260.A OD2 no hydrogen 2.574 N/A ILE 14.A N ALA 102.A O no hydrogen 2.968 N/A ASP 16.A N ASP 260.A OD2 no hydrogen 3.057 N/A ARG 21.A N ASP 19.A OD1 no hydrogen 2.995 N/A ARG 21.A NE ASP 19.A OD1 no hydrogen 2.867 N/A ARG 21.A NH1 ASP 19.A OD1 no hydrogen 3.549 N/A ARG 21.A NH1 ASP 19.A OD2 no hydrogen 2.704 N/A ASP 22.A N ASP 19.A O no hydrogen 3.008 N/A TYR 25.A N ARG 164.A O no hydrogen 2.844 N/A THR 26.A OG1 SER 24.A O no hydrogen 3.451 N/A VAL 31.A N GLU 28.A O no hydrogen 2.983 N/A ILE 32.A N GLU 28.A O no hydrogen 3.195 N/A ALA 33.A N LYS 29.A O no hydrogen 3.000 N/A ALA 34.A N VAL 31.A O no hydrogen 2.999 N/A LYS 38.A NZ ASP 223.A OD2 no hydrogen 2.778 N/A VAL 39.A N TYR 222.A O no hydrogen 3.027 N/A LEU 41.A N VAL 220.A O no hydrogen 2.778 N/A THR 42.A N ASP 40.A OD1 no hydrogen 3.159 N/A THR 42.A OG1 ASP 40.A OD1 no hydrogen 2.706 N/A TYR 48.A OH GLN 66.A OE1 no hydrogen 2.714 N/A GLN 50.A N SER 234.A O no hydrogen 2.705 N/A GLN 50.A NE2 HIS 215.A NE2 no hydrogen 3.416 N/A GLN 50.A NE2 SER 234.A OG no hydrogen 2.651 N/A GLY 51.A N ASP 49.A OD1 no hydrogen 2.933 N/A ARG 52.A N ASP 126.A OD2 no hydrogen 2.851 N/A ARG 52.A NE ASP 126.A OD2 no hydrogen 2.974 N/A ARG 52.A NH2 ASP 126.A OD1 no hydrogen 2.945 N/A GLY 54.A N ASP 99.A OD1 no hydrogen 2.800 N/A SER 55.A OG ASN 59.A OD1 no hydrogen 3.070 N/A SER 55.A OG TYR 124.A OH no hydrogen 2.577 N/A CYS 56.A N TYR 11.A O no hydrogen 3.134 N/A CYS 56.A SG TYR 11.A O no hydrogen 3.160 N/A THR 57.A OG1 GLU 89.A OE1 no hydrogen 3.240 N/A THR 57.A OG1 GLU 89.A OE2 no hydrogen 2.705 N/A ASN 59.A N SER 55.A O no hydrogen 2.963 N/A ALA 60.A N CYS 56.A O no hydrogen 2.854 N/A LEU 61.A N THR 57.A O no hydrogen 2.990 N/A ALA 62.A N ALA 58.A O no hydrogen 2.788 N/A ALA 63.A N ASN 59.A O no hydrogen 3.167 N/A ALA 64.A N ALA 60.A O no hydrogen 3.094 N/A ILE 65.A N LEU 61.A O no hydrogen 2.983 N/A GLN 66.A N ALA 62.A O no hydrogen 2.856 N/A GLN 66.A NE2 GLU 77.A OE2 no hydrogen 3.029 N/A PHE 67.A N ALA 63.A O no hydrogen 2.746 N/A GLU 68.A N ALA 64.A O no hydrogen 2.928 N/A ARG 69.A N ILE 65.A O no hydrogen 3.083 N/A ARG 69.A NH1.A PRO 76.A O no hydrogen 2.805 N/A ARG 69.A NH2.A PRO 76.A O no hydrogen 2.735 N/A ARG 69.A NH2.B PRO 76.A O no hydrogen 3.539 N/A ILE 70.A N GLN 66.A O no hydrogen 3.320 N/A HIS 71.A N PHE 67.A O no hydrogen 3.173 N/A ASP 72.A N GLU 68.A O no hydrogen 2.689 N/A LYS 73.A N ILE 70.A O no hydrogen 2.631 N/A GLN 74.A N ARG 69.A O no hydrogen 2.697 N/A GLN 74.A NE2 ASP 72.A O no hydrogen 3.087 N/A SER 81.A N CYS 117.A O no hydrogen 2.773 N/A SER 81.A OG TRP 122.A O no hydrogen 2.742 N/A ARG 82.A N GLU 119.A OE2 no hydrogen 3.024 N/A ARG 82.A NE GLU 119.A OE1 no hydrogen 3.478 N/A ARG 82.A NE GLU 119.A OE2 no hydrogen 3.104 N/A ARG 82.A NH1 ASP 49.A O no hydrogen 3.264 N/A ARG 82.A NH2 GLU 119.A OE1 no hydrogen 2.855 N/A PHE 84.A N SER 81.A OG no hydrogen 3.089 N/A ILE 85.A N SER 81.A O no hydrogen 3.240 N/A TYR 86.A N ARG 82.A O no hydrogen 2.901 N/A TYR 86.A OH ASP 99.A OD1 no hydrogen 2.554 N/A TYR 87.A N LEU 83.A O no hydrogen 2.812 N/A ASN 88.A N PHE 84.A O no hydrogen 3.250 N/A ASN 88.A ND2 PHE 84.A O no hydrogen 2.903 N/A GLU 89.A N ILE 85.A O no hydrogen 2.878 N/A ARG 90.A N TYR 86.A O no hydrogen 3.309 N/A ARG 90.A N TYR 87.A O no hydrogen 3.085 N/A ARG 90.A NE TYR 86.A O no hydrogen 3.063 N/A ARG 90.A NH1 HIS 95.A O no hydrogen 3.314 N/A ARG 90.A NH1 VAL 96.A O no hydrogen 2.941 N/A ARG 90.A NH1 TYR 98.A O no hydrogen 2.890 N/A ARG 90.A NH2 TYR 86.A O no hydrogen 3.454 N/A ARG 90.A NH2 ALA 142.A O no hydrogen 2.924 N/A LYS 91.A N TYR 87.A O no hydrogen 3.280 N/A LYS 91.A N ASN 88.A O no hydrogen 3.146 N/A ILE 92.A N GLU 89.A O no hydrogen 3.013 N/A GLU 93.A N GLU 89.A O no hydrogen 3.182 N/A TYR 98.A N HIS 95.A O no hydrogen 3.139 N/A SER 100.A OG GLY 101.A O no hydrogen 2.934 N/A GLY 101.A N TYR 86.A OH no hydrogen 2.948 N/A ALA 102.A N GLY 12.A O no hydrogen 2.857 N/A ARG 105.A N ASP 16.A OD1 no hydrogen 2.927 N/A ARG 105.A NH1 ILE 17.A O no hydrogen 2.933 N/A ARG 105.A NH1 ASP 22.A OD1 no hydrogen 3.395 N/A ARG 105.A NH1 ASP 22.A OD2 no hydrogen 2.996 N/A ARG 105.A NH2 ASP 22.A OD1 no hydrogen 2.881 N/A ASP 106.A N MET 103.A O no hydrogen 2.985 N/A GLY 107.A N MET 103.A O no hydrogen 3.209 N/A ILE 108.A N ILE 104.A O no hydrogen 2.832 N/A LYS 109.A N ARG 105.A O no hydrogen 2.921 N/A VAL 110.A N ASP 106.A O no hydrogen 3.007 N/A LEU 111.A N GLY 107.A O no hydrogen 3.046 N/A HIS 112.A N ILE 108.A O no hydrogen 2.922 N/A LYS 113.A N LYS 109.A O no hydrogen 2.912 N/A LEU 114.A N VAL 110.A O no hydrogen 2.804 N/A GLY 115.A N VAL 110.A O no hydrogen 2.945 N/A VAL 116.A N ALA 154.A O no hydrogen 3.198 N/A CYS 117.A SG PRO 118.A O no hydrogen 3.818 N/A GLU 119.A N ILE 79.A O no hydrogen 2.783 N/A GLU 121.A N PRO 118.A O no hydrogen 3.007 N/A TRP 122.A N PRO 118.A O no hydrogen 3.330 N/A TRP 122.A N GLU 119.A O no hydrogen 2.976 N/A TYR 124.A OH GLN 50.A O no hydrogen 2.505 N/A TYR 124.A OH SER 55.A OG no hydrogen 2.577 N/A ASP 130.A N GLU 135.A O no hydrogen 2.947 N/A THR 133.A N ASP 130.A OD2 no hydrogen 2.908 N/A THR 133.A OG1 ASP 130.A OD2 no hydrogen 3.310 N/A GLU 134.A N ASP 130.A O no hydrogen 2.686 N/A GLU 135.A N THR 133.A OG1 no hydrogen 3.117 N/A PHE 136.A N ASN 97.A O no hydrogen 2.919 N/A ALA 140.A N PRO 137.A O no hydrogen 3.082 N/A SER 143.A N ALA 140.A O no hydrogen 3.112 N/A SER 143.A OG ALA 140.A O no hydrogen 3.075 N/A LYS 144.A N PRO 141.A O no hydrogen 3.192 N/A GLN 149.A NE2 ASP 153.A OD1 no hydrogen 2.831 N/A GLN 149.A NE2 ASP 153.A OD2 no hydrogen 3.346 N/A CYS 150.A N SER 147.A OG no hydrogen 3.013 N/A CYS 150.A SG GLU 121.A O no hydrogen 3.461 N/A CYS 150.A SG SER 147.A OG no hydrogen 3.356 N/A TYR 151.A N SER 147.A O no hydrogen 3.136 N/A TYR 151.A OH ASN 88.A OD1 no hydrogen 2.703 N/A LYS 152.A N ASP 148.A O no hydrogen 3.022 N/A ASP 153.A N GLN 149.A O no hydrogen 2.919 N/A ALA 154.A N CYS 150.A O no hydrogen 2.860 N/A GLN 155.A N LYS 152.A O no hydrogen 3.241 N/A GLN 155.A NE2.A LYS 113.A O no hydrogen 3.332 N/A ASN 156.A N ASP 153.A O no hydrogen 2.948 N/A TYR 157.A N ALA 154.A O no hydrogen 3.012 N/A LYS 158.A NZ GLN 155.A OE1.A no hydrogen 2.668 N/A ILE 159.A N LEU 111.A O no hydrogen 2.944 N/A THR 160.A N LYS 265.A O no hydrogen 2.866 N/A THR 160.A OG1 LYS 265.A O no hydrogen 3.406 N/A GLU 161.A N LYS 265.A O no hydrogen 3.123 N/A SER 163.A N VAL 263.A O no hydrogen 2.991 N/A ARG 164.A N PHE 23.A O no hydrogen 2.810 N/A ARG 164.A NE ASP 22.A OD2 no hydrogen 2.823 N/A ARG 164.A NH1 ASP 260.A OD1 no hydrogen 2.914 N/A ARG 164.A NH2 ASP 22.A OD2 no hydrogen 3.187 N/A VAL 165.A N PHE 261.A O no hydrogen 2.971 N/A GLN 167.A NE2 ILE 252.A O no hydrogen 2.869 N/A GLN 167.A NE2 ASN 254.A O no hydrogen 3.162 N/A GLN 167.A NE2 ALA 258.A O no hydrogen 3.026 N/A ASP 170.A N ASP 168.A OD1 no hydrogen 2.925 N/A HIS 171.A N ASP 168.A O no hydrogen 3.005 N/A HIS 171.A N ASP 168.A OD1 no hydrogen 3.317 N/A LEU 172.A N ASP 168.A O no hydrogen 3.074 N/A LYS 173.A N ILE 169.A O no hydrogen 2.775 N/A LYS 173.A NZ ASP 224.A OD1 no hydrogen 2.778 N/A ALA 174.A N ASP 170.A O no hydrogen 2.869 N/A CYS 175.A N HIS 171.A O no hydrogen 3.003 N/A CYS 175.A SG SER 180.A O no hydrogen 3.418 N/A LEU 176.A N LEU 172.A O no hydrogen 3.269 N/A ALA 177.A N LYS 173.A O no hydrogen 2.719 N/A VAL 178.A N ALA 174.A O no hydrogen 3.269 N/A GLY 179.A N LEU 176.A O no hydrogen 2.870 N/A SER 180.A N CYS 175.A O no hydrogen 3.071 N/A VAL 183.A N TRP 262.A O no hydrogen 2.913 N/A PHE 184.A N VAL 217.A O no hydrogen 3.143 N/A GLY 185.A N ASP 259.A O no hydrogen 2.970 N/A PHE 186.A N HIS 215.A O no hydrogen 2.738 N/A SER 187.A N LEU 257.A O no hydrogen 2.879 N/A VAL 188.A N GLY 213.A O no hydrogen 2.833 N/A ASN 190.A N THR 210.A O no hydrogen 2.935 N/A SER 191.A OG ASP 209.A OD2 no hydrogen 2.606 N/A TRP 192.A N TYR 189.A O no hydrogen 3.066 N/A TRP 192.A NE1 PRO 199.A O no hydrogen 3.113 N/A VAL 193.A N TYR 189.A O no hydrogen 3.310 N/A GLY 194.A N ASN 190.A O no hydrogen 2.830 N/A ASN 196.A N VAL 193.A O no hydrogen 3.022 N/A SER 197.A N GLY 194.A O no hydrogen 2.982 N/A SER 197.A OG TRP 192.A O no hydrogen 3.290 N/A SER 197.A OG GLY 194.A O no hydrogen 2.721 N/A LEU 198.A N TRP 192.A O no hydrogen 2.930 N/A ILE 202.A N TRP 246.A O no hydrogen 2.861 N/A THR 206.A N ASP 209.A OD2 no hydrogen 3.063 N/A ASN 208.A N THR 206.A OG1 no hydrogen 3.360 N/A ASP 209.A N THR 206.A O no hydrogen 2.906 N/A THR 210.A N ASN 190.A OD1 no hydrogen 2.746 N/A THR 210.A OG1.A LEU 211.A O no hydrogen 3.363 N/A THR 210.A OG1.A GLU 212.A OE2 no hydrogen 3.210 N/A THR 210.A OG1.B GLU 212.A OE2 no hydrogen 2.512 N/A GLU 212.A N VAL 188.A O no hydrogen 2.789 N/A HIS 215.A N PHE 186.A O no hydrogen 2.844 N/A VAL 217.A N PHE 184.A O no hydrogen 3.006 N/A CYS 219.A N PHE 182.A O no hydrogen 2.749 N/A CYS 219.A SG GLY 221.A O no hydrogen 3.767 N/A CYS 219.A SG ARG 230.A O no hydrogen 3.482 N/A VAL 220.A N ARG 230.A O no hydrogen 2.849 N/A TYR 222.A N VAL 39.A O no hydrogen 2.956 N/A TYR 222.A OH PRO 36.A O no hydrogen 2.621 N/A ASP 223.A N HIS 228.A O no hydrogen 2.938 N/A ASP 224.A N PRO 37.A O no hydrogen 2.853 N/A GLU 225.A N ASP 223.A OD1 no hydrogen 2.890 N/A ILE 226.A N ASP 223.A O no hydrogen 3.172 N/A ARG 227.A NH1 GLU 250.A OE1 no hydrogen 3.217 N/A HIS 228.A N ASP 223.A O no hydrogen 3.454 N/A HIS 228.A ND1 ILE 226.A O no hydrogen 2.755 N/A PHE 229.A N MET 247.A O no hydrogen 2.801 N/A ARG 230.A N GLY 221.A O no hydrogen 2.802 N/A ARG 230.A NH1 GLU 241.A OE1 no hydrogen 2.885 N/A ARG 230.A NH2 GLU 241.A OE1 no hydrogen 2.957 N/A ILE 231.A N PHE 245.A O no hydrogen 2.806 N/A ARG 232.A N LEU 218.A O no hydrogen 2.888 N/A ARG 232.A NH1 PHE 45.A O no hydrogen 3.038 N/A ARG 232.A NH1 TYR 244.A OH no hydrogen 3.081 N/A ARG 232.A NH2 GLN 46.A O no hydrogen 2.858 N/A ASN 233.A N GLY 243.A O no hydrogen 3.050 N/A SER 234.A N ASN 233.A OD1 no hydrogen 2.825 N/A TRP 235.A NE1 GLY 10.A O no hydrogen 2.732 N/A GLY 236.A N TYR 48.A O no hydrogen 3.091 N/A GLU 241.A N TYR 244.A O no hydrogen 2.879 N/A GLY 243.A N VAL 239.A O no hydrogen 2.826 N/A TYR 244.A N GLU 241.A O no hydrogen 2.949 N/A PHE 245.A N ILE 231.A O no hydrogen 2.947 N/A TRP 246.A N VAL 200.A O no hydrogen 2.906 N/A MET 247.A N PHE 229.A O no hydrogen 2.761 N/A TYR 249.A N ARG 227.A O no hydrogen 2.960 N/A TYR 249.A OH ASP 224.A OD1 no hydrogen 2.591 N/A GLU 250.A N GLU 250.A OE2 no hydrogen 2.846 N/A TYR 251.A N PRO 248.A O no hydrogen 2.949 N/A TYR 251.A OH SER 187.A O no hydrogen 2.660 N/A ILE 252.A N PRO 248.A O no hydrogen 3.176 N/A SER 253.A N TYR 249.A O no hydrogen 3.167 N/A SER 253.A OG TYR 249.A O no hydrogen 2.916 N/A ASN 254.A N TYR 251.A O no hydrogen 3.115 N/A GLN 256.A N ASN 254.A OD1 no hydrogen 2.823 N/A LEU 257.A N ASN 254.A O no hydrogen 2.926 N/A ALA 258.A N ASN 254.A O no hydrogen 2.975 N/A ASP 259.A N GLY 185.A O no hydrogen 2.981 N/A TRP 262.A N VAL 183.A O no hydrogen 2.854 N/A TRP 262.A NE1 ASP 16.A OD2 no hydrogen 2.826 N/A VAL 263.A N SER 163.A O no hydrogen 2.899 N/A LYS 265.A N GLU 161.A O no hydrogen 2.894 N/A THR 266.A N GLU 68.A OE2.B no hydrogen 2.849 N/A THR 266.A OG1 GLU 68.A OE1.B no hydrogen 2.592 N/A VAL 267.A N THR 160.A OG1 no hydrogen 2.910 N/A