Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3no0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 32.A O no hydrogen 3.088 N/A VAL 5.A N LEU 30.A O no hydrogen 2.862 N/A ALA 6.A N ILE 14.A O no hydrogen 2.844 N/A VAL 7.A N ASN 28.A O no hydrogen 2.884 N/A LEU 8.A N SER 12.A O no hydrogen 2.874 N/A GLN 9.A N PRO 25.A O no hydrogen 2.853 N/A GLY 11.A N LEU 8.A O no hydrogen 3.001 N/A SER 12.A N ASP 10.A OD1 no hydrogen 2.956 N/A SER 12.A OG ASP 10.A OD1 no hydrogen 2.760 N/A SER 12.A OG ASP 10.A OD2 no hydrogen 3.295 N/A ILE 13.A N SER 59.A O no hydrogen 2.863 N/A ILE 14.A N ALA 6.A O no hydrogen 2.974 N/A VAL 16.A N THR 4.A O no hydrogen 3.058 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.734 N/A GLU 18.A N PRO 15.A O no hydrogen 2.837 N/A LEU 19.A N VAL 16.A O no hydrogen 3.431 N/A LYS 23.A NZ GLY 235.A O no hydrogen 2.856 N/A VAL 27.A N VAL 7.A O no hydrogen 2.760 N/A ASN 28.A N VAL 7.A O no hydrogen 3.471 N/A ASN 28.A ND2 ALA 73.A O no hydrogen 3.273 N/A ILE 29.A N ASN 28.A OD1 no hydrogen 2.796 N/A LEU 30.A N VAL 5.A O no hydrogen 2.875 N/A VAL 32.A N ILE 3.A O no hydrogen 2.867 N/A PHE 34.A N GLY 1.A O no hydrogen 2.976 N/A GLU 36.A N PRO 33.A O no hydrogen 3.053 N/A GLY 37.A N GLU 77.A OE1 no hydrogen 2.995 N/A LEU 38.A N ILE 50.A O no hydrogen 2.947 N/A PHE 39.A N PHE 74.A O no hydrogen 2.834 N/A LEU 40.A N TYR 48.A O no hydrogen 2.827 N/A VAL 41.A N GLY 72.A O no hydrogen 2.950 N/A SER 42.A N ARG 46.A O no hydrogen 2.912 N/A SER 42.A OG GLU 68.A OE1 no hydrogen 2.649 N/A ASN 43.A N LYS 69.A O no hydrogen 2.863 N/A ASN 43.A ND2 GLU 117.A OE1 no hydrogen 3.146 N/A ARG 44.A N SER 42.A OG no hydrogen 3.120 N/A ARG 44.A NE.A SER 65.A OG.A no hydrogen 3.034 N/A ARG 44.A NH1.B ASP 116.A O no hydrogen 2.899 N/A ARG 44.A NH2.A ARG 66.A O no hydrogen 3.164 N/A GLY 45.A N SER 42.A O no hydrogen 2.876 N/A ARG 46.A N SER 42.A OG no hydrogen 3.308 N/A ARG 46.A NH1 GLY 106.A O no hydrogen 2.786 N/A VAL 47.A N MET 107.A O no hydrogen 2.977 N/A TYR 48.A N LEU 40.A O no hydrogen 2.881 N/A TYR 48.A OH GLU 68.A OE1 no hydrogen 2.641 N/A TYR 48.A OH GLU 68.A OE2 no hydrogen 3.149 N/A TRP 49.A N GLN 105.A OE1 no hydrogen 2.933 N/A TRP 49.A NE1 LYS 103.A O no hydrogen 2.954 N/A ILE 50.A N LEU 38.A O no hydrogen 3.003 N/A LEU 56.A N GLY 52.A O no hydrogen 3.033 N/A GLN 57.A N SER 53.A O no hydrogen 2.948 N/A GLY 58.A N ALA 55.A O no hydrogen 3.110 N/A SER 59.A N ILE 13.A O no hydrogen 3.034 N/A SER 59.A OG ALA 55.A O no hydrogen 2.665 N/A VAL 61.A N GLY 11.A O no hydrogen 3.031 N/A LYS 64.A N TYR 48.A OH no hydrogen 3.103 N/A LYS 64.A N GLU 68.A OE2 no hydrogen 2.949 N/A SER 65.A N GLU 68.A OE2 no hydrogen 2.925 N/A SER 65.A OG.A ARG 66.A O no hydrogen 3.207 N/A SER 65.A OG.B GLU 68.A OE2 no hydrogen 2.702 N/A GLU 68.A N SER 65.A O no hydrogen 3.348 N/A LYS 69.A N ASN 43.A OD1 no hydrogen 2.893 N/A ILE 70.A N GLN 9.A O no hydrogen 2.825 N/A VAL 71.A N VAL 41.A O no hydrogen 2.832 N/A GLY 72.A N VAL 41.A O no hydrogen 3.324 N/A PHE 74.A N PHE 39.A O no hydrogen 2.906 N/A ARG 76.A N GLY 37.A O no hydrogen 2.896 N/A ARG 76.A NE GLU 101.A OE2 no hydrogen 2.662 N/A ARG 76.A NH1 ARG 76.A O no hydrogen 2.879 N/A ARG 76.A NH1 PHE 79.A O no hydrogen 3.409 N/A ARG 76.A NH2 ASN 81.A OD1 no hydrogen 3.193 N/A LYS 78.A N ILE 75.A O no hydrogen 3.013 N/A PHE 79.A N ARG 76.A O no hydrogen 2.969 N/A GLY 80.A N SER 123.A OG no hydrogen 2.880 N/A LEU 83.A N ILE 95.A O no hydrogen 2.891 N/A LEU 84.A N ALA 122.A O no hydrogen 2.856 N/A LEU 85.A N LYS 93.A O no hydrogen 2.887 N/A ALA 86.A N SER 120.A O no hydrogen 2.962 N/A THR 87.A N TYR 91.A O.A no hydrogen 2.965 N/A THR 87.A N TYR 91.A O.B no hydrogen 2.811 N/A THR 87.A OG1 ASP 116.A OD1 no hydrogen 3.266 N/A THR 87.A OG1 ASP 116.A OD2 no hydrogen 2.668 N/A LYS 88.A N GLU 117.A O no hydrogen 2.825 N/A LYS 88.A NZ GLY 115.A O no hydrogen 3.091 N/A LYS 88.A NZ GLU 117.A OE2 no hydrogen 3.070 N/A LYS 89.A N ASP 116.A OD1 no hydrogen 2.867 N/A LYS 89.A NZ THR 113.A OG1 no hydrogen 2.793 N/A GLY 90.A N THR 87.A O no hydrogen 2.898 N/A TYR 91.A N.A THR 87.A OG1 no hydrogen 3.056 N/A TYR 91.A N.B THR 87.A OG1 no hydrogen 3.031 N/A VAL 92.A N VAL 157.A O no hydrogen 2.848 N/A LYS 93.A N LEU 85.A O no hydrogen 2.954 N/A LYS 93.A NZ ILE 109.A O no hydrogen 2.749 N/A LYS 93.A NZ THR 151.A O no hydrogen 2.852 N/A LYS 93.A NZ ALA 154.A O no hydrogen 2.811 N/A LYS 94.A NZ VAL 144.A O no hydrogen 2.887 N/A LYS 94.A NZ VAL 147.A O no hydrogen 2.909 N/A ILE 95.A N LEU 83.A O no hydrogen 2.862 N/A LEU 97.A N ASN 81.A O no hydrogen 2.909 N/A GLU 99.A N PRO 96.A O no hydrogen 2.994 N/A PHE 100.A N LEU 97.A O no hydrogen 3.063 N/A GLU 101.A N LEU 97.A O no hydrogen 2.916 N/A TYR 102.A OH GLU 77.A OE2 no hydrogen 2.754 N/A GLN 105.A NE2 TRP 49.A O no hydrogen 3.006 N/A GLY 106.A N VAL 47.A O no hydrogen 2.816 N/A MET 107.A N ALA 104.A O no hydrogen 3.206 N/A ILE 109.A N GLY 45.A O no hydrogen 2.888 N/A LYS 111.A N ALA 154.A O no hydrogen 3.124 N/A ASP 116.A N THR 113.A O no hydrogen 2.992 N/A GLU 117.A N ASP 116.A OD1 no hydrogen 2.864 N/A VAL 118.A N ASN 43.A O no hydrogen 2.831 N/A VAL 119.A N ALA 86.A O no hydrogen 2.827 N/A SER 120.A N ALA 86.A O no hydrogen 3.412 N/A ALA 122.A N LEU 84.A O no hydrogen 2.961 N/A SER 124.A N ARG 82.A O no hydrogen 2.917 N/A GLU 127.A N ASP 126.A OD1 no hydrogen 2.874 N/A THR 128.A OG1 VAL 125.A O no hydrogen 2.765 N/A HIS 129.A N TRP 174.A O no hydrogen 3.028 N/A ILE 130.A N PHE 142.A O no hydrogen 2.778 N/A LEU 131.A N ARG 172.A O no hydrogen 2.799 N/A LEU 132.A N ALA 140.A O no hydrogen 2.870 N/A PHE 133.A N GLY 170.A O no hydrogen 2.937 N/A THR 134.A N ARG 138.A O no hydrogen 2.871 N/A THR 134.A OG1 ASP 166.A OD1 no hydrogen 3.370 N/A THR 134.A OG1 ASP 166.A OD2 no hydrogen 2.705 N/A LYS 135.A N.A GLU 167.A O no hydrogen 2.898 N/A LYS 135.A N.B GLU 167.A O no hydrogen 2.926 N/A LYS 135.A NZ.B GLU 167.A OE2 no hydrogen 3.097 N/A LYS 136.A N.A ASP 166.A OD1 no hydrogen 3.072 N/A LYS 136.A N.B ASP 166.A OD1 no hydrogen 2.975 N/A LYS 136.A NZ.B ASN 165.A O no hydrogen 3.546 N/A GLY 137.A N THR 134.A O no hydrogen 2.974 N/A ARG 138.A N THR 134.A OG1 no hydrogen 3.023 N/A ARG 138.A NH1 GLY 206.A O no hydrogen 2.810 N/A VAL 139.A N THR 207.A O no hydrogen 2.832 N/A ALA 140.A N LEU 132.A O no hydrogen 2.817 N/A ARG 141.A NE HIS 129.A ND1 no hydrogen 2.922 N/A ARG 141.A NH1 HIS 194.A ND1 no hydrogen 3.057 N/A ARG 141.A NH1 ILE 197.A O no hydrogen 2.850 N/A ARG 141.A NH2 HIS 129.A ND1 no hydrogen 3.346 N/A ARG 141.A NH2 HIS 194.A ND1 no hydrogen 2.882 N/A PHE 142.A N ILE 130.A O no hydrogen 3.060 N/A VAL 144.A N THR 128.A O no hydrogen 2.957 N/A ARG 145.A N SER 143.A OG no hydrogen 3.015 N/A ARG 145.A NE ASP 126.A OD1 no hydrogen 3.037 N/A ARG 145.A NH2 ASP 126.A OD2 no hydrogen 2.905 N/A GLU 146.A N SER 143.A O no hydrogen 3.049 N/A VAL 147.A N VAL 144.A O no hydrogen 3.269 N/A SER 150.A N LYS 94.A O no hydrogen 2.917 N/A SER 150.A OG LYS 94.A O no hydrogen 3.315 N/A ALA 154.A N THR 151.A O no hydrogen 3.040 N/A VAL 157.A N VAL 92.A O no hydrogen 2.891 N/A GLY 159.A N GLY 90.A O no hydrogen 2.745 N/A LYS 161.A N VAL 204.A O no hydrogen 2.937 N/A ASP 166.A N GLU 163.A O no hydrogen 3.110 N/A GLU 167.A N ASP 166.A OD1 no hydrogen 2.878 N/A THR 168.A N LYS 88.A O no hydrogen 2.915 N/A THR 168.A OG1 THR 87.A O no hydrogen 3.232 N/A THR 168.A OG1 LYS 88.A O no hydrogen 3.192 N/A SER 169.A N PHE 133.A O no hydrogen 2.827 N/A SER 169.A OG.A LEU 216.A O no hydrogen 2.722 N/A SER 169.A OG.B PHE 133.A O no hydrogen 3.368 N/A SER 169.A OG.B LEU 216.A O no hydrogen 2.900 N/A GLY 170.A N PHE 133.A O no hydrogen 3.265 N/A ARG 172.A N LEU 131.A O no hydrogen 2.899 N/A ARG 172.A NE ASP 218.A OD1 no hydrogen 2.873 N/A ARG 172.A NH2 ASP 218.A OD2 no hydrogen 2.743 N/A TRP 174.A N HIS 129.A O no hydrogen 2.824 N/A TRP 174.A NE1 GLU 177.A O no hydrogen 2.811 N/A ASN 175.A N GLU 177.A OE1 no hydrogen 2.763 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.812 N/A TYR 179.A N ILE 222.A O no hydrogen 3.174 N/A LEU 180.A N ILE 192.A O no hydrogen 2.805 N/A LEU 181.A N ILE 220.A O no hydrogen 2.817 N/A VAL 182.A N LYS 190.A O no hydrogen 2.865 N/A ILE 183.A N ASP 218.A O no hydrogen 2.980 N/A THR 184.A N.A ARG 188.A O no hydrogen 2.892 N/A THR 184.A N.B ARG 188.A O no hydrogen 2.935 N/A THR 184.A OG1.A ARG 188.A O no hydrogen 3.550 N/A THR 184.A OG1.A ASP 214.A OD2.A no hydrogen 2.419 N/A THR 184.A OG1.B ARG 188.A O no hydrogen 3.191 N/A THR 184.A OG1.B ASP 214.A OD2.A no hydrogen 3.088 N/A ALA 185.A N THR 215.A O no hydrogen 2.869 N/A LYS 186.A N ASP 214.A OD2.A no hydrogen 2.907 N/A LYS 186.A NZ GLU 263.A O no hydrogen 3.117 N/A LYS 186.A NZ ASP 265.A O no hydrogen 2.953 N/A GLY 187.A N THR 184.A O.A no hydrogen 3.098 N/A GLY 187.A N THR 184.A O.B no hydrogen 2.861 N/A ARG 188.A N THR 184.A OG1.A no hydrogen 3.162 N/A ARG 188.A NE ASP 214.A OD2.B no hydrogen 2.883 N/A ARG 188.A NH1 ASP 214.A OD2.B no hydrogen 2.868 N/A VAL 189.A N ARG 257.A O no hydrogen 2.866 N/A LYS 190.A N VAL 182.A O no hydrogen 3.154 N/A LYS 190.A NZ VAL 209.A O no hydrogen 2.689 N/A LYS 190.A NZ SER 210.A O no hydrogen 3.547 N/A LYS 190.A NZ THR 251.A O no hydrogen 2.874 N/A LYS 190.A NZ LYS 252.A O no hydrogen 3.049 N/A LYS 190.A NZ SER 254.A O no hydrogen 2.773 N/A LYS 191.A NZ GLN 244.A O no hydrogen 2.818 N/A LYS 191.A NZ GLN 244.A OE1 no hydrogen 2.926 N/A LYS 191.A NZ ILE 247.A O no hydrogen 2.805 N/A ILE 192.A N LEU 180.A O no hydrogen 2.948 N/A HIS 194.A N PRO 178.A O no hydrogen 3.011 N/A GLU 195.A N SER 193.A OG no hydrogen 3.037 N/A GLU 196.A N SER 193.A O no hydrogen 3.096 N/A ILE 197.A N HIS 194.A O no hydrogen 3.077 N/A LYS 199.A NZ HIS 129.A NE2 no hydrogen 3.533 N/A THR 200.A N ARG 141.A O no hydrogen 2.835 N/A THR 200.A OG1 ARG 141.A O no hydrogen 3.517 N/A THR 200.A OG1 ASN 201.A O no hydrogen 2.849 N/A ASN 201.A ND2 GLU 146.A OE2 no hydrogen 2.881 N/A ARG 202.A N GLU 146.A OE1 no hydrogen 2.934 N/A ARG 202.A NH1.A GLN 158.A O no hydrogen 2.885 N/A ARG 202.A NH1.B GLU 146.A O no hydrogen 2.965 N/A GLY 203.A N GLY 159.A O no hydrogen 2.852 N/A THR 207.A N VAL 139.A O no hydrogen 2.887 N/A VAL 209.A N GLY 137.A O no hydrogen 2.921 N/A SER 210.A N GLU 208.A OE2.B no hydrogen 3.293 N/A SER 210.A OG LYS 136.A O.A no hydrogen 3.406 N/A SER 210.A OG GLU 208.A OE2.B no hydrogen 3.213 N/A SER 210.A OG THR 212.A O no hydrogen 3.186 N/A GLY 211.A N GLU 208.A OE1.B no hydrogen 3.507 N/A ASP 214.A N THR 212.A OG1 no hydrogen 2.993 N/A LEU 216.A N LYS 135.A O.A no hydrogen 2.860 N/A LEU 216.A N LYS 135.A O.B no hydrogen 3.002 N/A VAL 217.A N ILE 183.A O no hydrogen 2.899 N/A ASP 218.A N ILE 183.A O no hydrogen 3.223 N/A LEU 219.A N ASP 218.A OD1 no hydrogen 2.796 N/A ILE 220.A N LEU 181.A O no hydrogen 2.866 N/A ILE 222.A N TYR 179.A O no hydrogen 2.942 N/A GLU 224.A N GLU 276.A OXT no hydrogen 2.882 N/A GLU 225.A N GLU 276.A OXT no hydrogen 3.021 N/A VAL 226.A N.A ILE 242.A O no hydrogen 2.947 N/A VAL 226.A N.B ILE 242.A O no hydrogen 2.942 N/A GLU 227.A N LYS 274.A O no hydrogen 2.932 N/A LEU 228.A N ASP 240.A O no hydrogen 2.817 N/A LEU 229.A N VAL 271.A O no hydrogen 2.899 N/A ILE 230.A N PHE 238.A O no hydrogen 2.794 N/A THR 231.A N LYS 269.A O no hydrogen 2.905 N/A THR 231.A OG1 VAL 26.A O no hydrogen 2.812 N/A THR 232.A N LYS 236.A O no hydrogen 3.035 N/A THR 232.A OG1 ASP 265.A OD1 no hydrogen 3.311 N/A THR 232.A OG1 ASP 265.A OD2 no hydrogen 2.682 N/A LYS 233.A N GLU 266.A O no hydrogen 2.846 N/A LYS 233.A NZ ASN 234.A OD1 no hydrogen 3.274 N/A LYS 233.A NZ ASP 264.A O no hydrogen 3.309 N/A ASN 234.A N ASP 265.A OD1 no hydrogen 2.850 N/A GLY 235.A N THR 232.A O no hydrogen 3.144 N/A LYS 236.A N THR 232.A OG1 no hydrogen 2.957 N/A LYS 236.A NZ ASP 265.A OD2 no hydrogen 2.884 N/A PHE 238.A N ILE 230.A O no hydrogen 2.886 N/A TYR 239.A OH GLU 227.A OE1 no hydrogen 2.606 N/A ASP 240.A N LEU 228.A O no hydrogen 2.885 N/A LYS 241.A N ASP 240.A OD1.A no hydrogen 2.784 N/A ILE 242.A N VAL 226.A O.A no hydrogen 2.904 N/A ILE 242.A N VAL 226.A O.B no hydrogen 2.865 N/A ASN 243.A ND2 GLU 225.A OE1 no hydrogen 3.034 N/A GLN 244.A N GLU 224.A O no hydrogen 2.819 N/A LYS 245.A N ASN 243.A OD1 no hydrogen 2.950 N/A LYS 245.A NZ ASN 243.A OD1 no hydrogen 3.166 N/A ASP 246.A N ASN 243.A O no hydrogen 2.922 N/A ILE 247.A N GLN 244.A O no hydrogen 3.174 N/A SER 250.A N LYS 191.A O no hydrogen 2.692 N/A THR 251.A N SER 254.A OG no hydrogen 2.967 N/A LYS 252.A N GLU 196.A OE1 no hydrogen 2.895 N/A LYS 253.A N THR 251.A OG1 no hydrogen 3.107 N/A SER 254.A N THR 251.A O no hydrogen 3.160 N/A SER 254.A OG THR 251.A O no hydrogen 3.409 N/A ARG 257.A N VAL 189.A O no hydrogen 3.181 N/A THR 258.A OG1.C TRP 260.A O no hydrogen 3.611 N/A ARG 259.A N GLY 187.A O no hydrogen 2.893 N/A ARG 259.A NE ASP 240.A OD2.A no hydrogen 2.859 N/A ARG 259.A NE ASP 240.A OD2.B no hydrogen 2.970 N/A ARG 259.A NH2 ASP 240.A OD1.A no hydrogen 3.506 N/A ARG 259.A NH2 ASP 240.A OD2.A no hydrogen 2.919 N/A ARG 259.A NH2 ASP 240.A OD2.B no hydrogen 2.970 N/A TRP 260.A N GLY 187.A O no hydrogen 3.157 N/A TRP 260.A NE1 ASP 240.A OD1.B no hydrogen 2.958 N/A TRP 260.A NE1 ASP 240.A OD2.A no hydrogen 2.885 N/A ASP 265.A N LEU 262.A O no hydrogen 2.686 N/A GLU 266.A N ASP 265.A OD1 no hydrogen 2.863 N/A ILE 267.A N ALA 185.A O no hydrogen 2.850 N/A ILE 268.A N THR 231.A O no hydrogen 2.865 N/A LYS 269.A N THR 231.A O no hydrogen 3.439 N/A LYS 269.A NZ.A VAL 71.A O no hydrogen 3.362 N/A LYS 269.A NZ.A VAL 119.A O no hydrogen 2.937 N/A LYS 269.A NZ.B VAL 71.A O no hydrogen 3.232 N/A VAL 271.A N LEU 229.A O no hydrogen 2.761 N/A LYS 273.A N GLU 227.A O no hydrogen 2.846 N/A LYS 273.A NZ ASN 28.A OD1 no hydrogen 3.025 N/A LYS 273.A NZ ILE 29.A O no hydrogen 2.834 N/A LYS 274.A N GLU 227.A O no hydrogen 3.238 N/A GLU 276.A N GLU 225.A O no hydrogen 2.982 N/A