Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e5v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ARG 33.A O no hydrogen 2.835 N/A LYS 5.A N GLN 58.A OE1.B no hydrogen 2.973 N/A THR 6.A N ASP 35.A O no hydrogen 2.871 N/A THR 6.A OG1 ILE 4.A O no hydrogen 3.003 N/A LEU 7.A N LEU 59.A O no hydrogen 2.880 N/A LEU 8.A N ASP 37.A O no hydrogen 2.847 N/A ILE 9.A N VAL 61.A O no hydrogen 2.973 N/A THR 10.A N VAL 39.A O no hydrogen 3.003 N/A THR 10.A OG1 ASP 63.A O no hydrogen 2.834 N/A GLN 12.A NE2 PRO 42.A O no hydrogen 3.032 N/A GLN 12.A NE2 ASP 67.A OD2 no hydrogen 3.046 N/A ASN 14.A N ASN 65.A OD1 no hydrogen 2.968 N/A HIS 15.A N ASN 13.A OD1 no hydrogen 2.929 N/A HIS 15.A ND1 ASN 14.A OD1 no hydrogen 2.762 N/A ASN 16.A ND2 GLY 224.A O no hydrogen 3.033 N/A ASN 16.A ND2 ALA 225.A O no hydrogen 3.184 N/A TRP 17.A N HIS 15.A O no hydrogen 2.867 N/A GLN 18.A N GLN 18.A OE1 no hydrogen 2.804 N/A VAL 19.A N ASN 16.A O no hydrogen 3.111 N/A SER 20.A N ASN 16.A O no hydrogen 3.051 N/A SER 20.A OG TRP 17.A O no hydrogen 3.566 N/A SER 20.A OG ASP 63.A OD1 no hydrogen 3.240 N/A SER 20.A OG ASP 63.A OD2 no hydrogen 2.532 N/A HIS 21.A N TRP 17.A O no hydrogen 2.911 N/A HIS 21.A ND1 TRP 17.A O no hydrogen 2.737 N/A VAL 23.A N VAL 19.A O no hydrogen 3.123 N/A LEU 24.A N SER 20.A O no hydrogen 2.789 N/A LYS 25.A N HIS 21.A O no hydrogen 3.141 N/A LYS 25.A NZ VAL 36.A O no hydrogen 3.258 N/A GLN 26.A N VAL 22.A O.A no hydrogen 2.972 N/A GLN 26.A N VAL 22.A O.B no hydrogen 2.995 N/A ILE 27.A N VAL 23.A O no hydrogen 2.805 N/A LEU 28.A N LEU 24.A O no hydrogen 3.079 N/A GLU 29.A N LYS 25.A O no hydrogen 2.797 N/A ASN 30.A N GLN 26.A O no hydrogen 2.841 N/A ASN 30.A ND2 TYR 273.A O no hydrogen 3.093 N/A SER 31.A N LEU 28.A O no hydrogen 3.343 N/A SER 31.A OG LEU 28.A O no hydrogen 2.689 N/A GLY 32.A N GLU 29.A O no hydrogen 2.936 N/A ARG 33.A N SER 31.A OG no hydrogen 3.203 N/A ASP 35.A N ILE 4.A O no hydrogen 2.919 N/A VAL 36.A N GLU 29.A OE2 no hydrogen 2.816 N/A ASP 37.A N THR 6.A O no hydrogen 2.809 N/A VAL 39.A N LEU 8.A O no hydrogen 3.011 N/A SER 41.A N THR 10.A O no hydrogen 2.919 N/A SER 41.A OG THR 10.A O no hydrogen 3.519 N/A SER 41.A OG PRO 42.A O no hydrogen 2.868 N/A GLY 45.A N ASP 67.A OD2 no hydrogen 2.864 N/A LYS 46.A N GLU 43.A O no hydrogen 3.083 N/A SER 48.A OG ASP 47.A OD1 no hydrogen 2.711 N/A SER 48.A OG ASP 47.A OD2 no hydrogen 3.403 N/A LEU 52.A N THR 73.A OG1 no hydrogen 3.050 N/A SER 55.A N ASP 53.A OD1 no hydrogen 3.108 N/A SER 55.A OG ASP 53.A OD1 no hydrogen 2.683 N/A SER 55.A OG ASP 53.A OD2 no hydrogen 3.429 N/A TYR 57.A N PHE 54.A O no hydrogen 3.058 N/A TYR 57.A OH ASP 37.A OD2 no hydrogen 2.789 N/A GLN 58.A N LYS 5.A O no hydrogen 2.953 N/A GLN 58.A NE2.A ALA 249.A O no hydrogen 3.231 N/A LEU 59.A N LYS 5.A O no hydrogen 3.245 N/A VAL 60.A N GLY 86.A O no hydrogen 2.999 N/A VAL 61.A N LEU 7.A O no hydrogen 2.761 N/A LEU 62.A N VAL 88.A O no hydrogen 2.908 N/A ASP 63.A N ILE 9.A O no hydrogen 2.982 N/A TYR 64.A OH ASP 67.A O no hydrogen 2.626 N/A ASN 65.A N GLN 12.A O no hydrogen 3.006 N/A ASN 65.A ND2 ASN 14.A OD1 no hydrogen 3.015 N/A ASN 65.A ND2 ALA 92.A O no hydrogen 2.897 N/A ASP 67.A N GLN 12.A OE1 no hydrogen 2.911 N/A THR 73.A OG1 PHE 50.A O no hydrogen 2.637 N/A ASN 74.A N PRO 70.A O no hydrogen 3.059 N/A ASN 74.A ND2 TRP 69.A O no hydrogen 3.098 N/A ARG 75.A N GLU 71.A O no hydrogen 2.890 N/A ARG 75.A NE.A GLU 72.A OE1 no hydrogen 3.272 N/A ARG 75.A NE.A GLU 72.A OE2 no hydrogen 3.387 N/A ARG 75.A NH2.A GLU 72.A OE2 no hydrogen 2.797 N/A ARG 76.A N GLU 72.A O no hydrogen 2.930 N/A ARG 76.A NE GLU 72.A OE2 no hydrogen 2.756 N/A ARG 76.A NH1 LEU 52.A O no hydrogen 2.979 N/A PHE 77.A N THR 73.A O no hydrogen 2.790 N/A LEU 78.A N ASN 74.A O no hydrogen 3.068 N/A GLU 79.A N ARG 75.A O no hydrogen 3.014 N/A TYR 80.A N ARG 76.A O no hydrogen 2.928 N/A TYR 80.A OH GLY 86.A O no hydrogen 2.718 N/A VAL 81.A N PHE 77.A O no hydrogen 2.936 N/A GLN 82.A N LEU 78.A O no hydrogen 2.865 N/A GLN 82.A NE2 TYR 211.A OH no hydrogen 3.211 N/A ASN 83.A N GLU 79.A O no hydrogen 3.009 N/A GLY 84.A N VAL 81.A O no hydrogen 3.065 N/A GLY 85.A N VAL 81.A O no hydrogen 3.222 N/A VAL 87.A N ARG 215.A O no hydrogen 2.947 N/A VAL 88.A N VAL 60.A O no hydrogen 2.864 N/A ILE 89.A N PHE 217.A O no hydrogen 2.834 N/A TYR 90.A OH GLY 221.A O no hydrogen 2.540 N/A HIS 91.A N THR 219.A O no hydrogen 2.891 N/A ALA 93.A N TYR 90.A O no hydrogen 2.987 N/A ASP 94.A N HIS 91.A O no hydrogen 3.252 N/A ASN 95.A N ALA 92.A O no hydrogen 2.930 N/A ASN 95.A ND2 ASP 94.A OD1 no hydrogen 2.859 N/A ALA 96.A N ALA 93.A O no hydrogen 3.206 N/A SER 98.A N GLU 113.A OE1 no hydrogen 3.211 N/A SER 98.A OG GLU 113.A O no hydrogen 3.475 N/A SER 98.A OG GLU 113.A OE1 no hydrogen 3.097 N/A TRP 100.A N PHE 97.A O no hydrogen 3.034 N/A GLU 102.A N.A GLU 102.A OE1.A no hydrogen 2.746 N/A ASN 104.A N TRP 100.A O no hydrogen 3.203 N/A ASN 104.A ND2 PHE 97.A O no hydrogen 3.048 N/A ASN 104.A ND2 TRP 100.A O no hydrogen 2.892 N/A ARG 105.A N PRO 101.A O no hydrogen 3.063 N/A ILE 106.A N GLU 102.A O.A no hydrogen 3.010 N/A ILE 106.A N GLU 102.A O.B no hydrogen 2.932 N/A CYS 107.A N PHE 103.A O no hydrogen 3.040 N/A CYS 107.A SG PHE 103.A O no hydrogen 3.665 N/A ALA 108.A N ASN 104.A O no hydrogen 2.906 N/A GLY 110.A N ARG 178.A O no hydrogen 2.871 N/A TRP 112.A N GLY 139.A O no hydrogen 2.819 N/A ARG 115.A N TRP 112.A O no hydrogen 3.090 N/A ARG 115.A NH1 ASN 95.A O no hydrogen 2.732 N/A ARG 115.A NH1 TRP 112.A O no hydrogen 3.070 N/A ARG 115.A NH2 ASN 95.A O no hydrogen 3.350 N/A ARG 115.A NH2 ALA 96.A O no hydrogen 2.926 N/A ARG 115.A NH2 ASN 104.A OD1 no hydrogen 2.824 N/A ASN 116.A N SER 119.A OG no hydrogen 3.060 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.845 N/A ASN 118.A N ASN 116.A OD1 no hydrogen 2.941 N/A SER 119.A N ASN 116.A O no hydrogen 2.927 N/A SER 119.A OG ASN 116.A O no hydrogen 3.159 N/A GLY 120.A N GLU 117.A O no hydrogen 3.276 N/A TYR 122.A N ASP 133.A O no hydrogen 2.777 N/A TYR 122.A OH PRO 138.A O no hydrogen 2.692 N/A TYR 124.A N VAL 131.A O no hydrogen 3.163 N/A TYR 124.A OH ASP 133.A OD2 no hydrogen 2.617 N/A TRP 125.A N GLU 202.A O no hydrogen 2.907 N/A LYS 126.A N LYS 129.A O no hydrogen 2.783 N/A LYS 129.A N LYS 126.A O no hydrogen 3.405 N/A VAL 131.A N TYR 124.A O no hydrogen 2.883 N/A LYS 132.A NZ PRO 180.A O no hydrogen 3.175 N/A LYS 132.A NZ GLY 181.A O no hydrogen 3.386 N/A ASP 133.A N TYR 122.A O no hydrogen 2.839 N/A SER 135.A N ASP 133.A OD1 no hydrogen 3.051 N/A SER 135.A OG.A ASP 133.A OD1 no hydrogen 2.702 N/A SER 135.A OG.B ASP 133.A OD1 no hydrogen 2.688 N/A GLY 137.A N GLU 117.A OE1 no hydrogen 3.011 N/A GLY 139.A N ARG 115.A O no hydrogen 3.087 N/A GLY 140.A N ARG 177.A O no hydrogen 2.790 N/A SER 141.A N ASP 176.A O no hydrogen 2.944 N/A HIS 142.A ND1 GLY 143.A O no hydrogen 2.762 N/A ARG 144.A N THR 196.A O no hydrogen 2.913 N/A ARG 144.A NH2 GLU 195.A O no hydrogen 2.998 N/A HIS 146.A N ASP 172.A O no hydrogen 2.956 N/A TYR 148.A OH GLU 173.A O no hydrogen 2.750 N/A LEU 150.A N TRP 167.A O no hydrogen 2.837 N/A ASN 151.A N THR 189.A O no hydrogen 2.755 N/A ASN 151.A ND2 GLU 202.A OE2 no hydrogen 2.903 N/A GLY 152.A N LEU 165.A O no hydrogen 2.692 N/A ARG 153.A N LEU 187.A O no hydrogen 2.938 N/A ARG 153.A NE THR 189.A OG1 no hydrogen 2.980 N/A ARG 153.A NH2 THR 189.A OG1 no hydrogen 3.346 N/A ARG 153.A NH2 GLU 202.A OE2 no hydrogen 2.932 N/A VAL 156.A N ASP 154.A OD1 no hydrogen 2.934 N/A HIS 157.A N ASP 154.A OD1 no hydrogen 2.735 N/A VAL 159.A N HIS 157.A ND1 no hydrogen 3.096 N/A VAL 160.A N HIS 157.A O no hydrogen 2.918 N/A LYS 161.A N HIS 157.A O no hydrogen 2.894 N/A LEU 163.A N VAL 160.A O no hydrogen 2.911 N/A LYS 166.A NZ GLU 264.A OE1 no hydrogen 2.930 N/A LYS 166.A NZ GLU 264.A OE2 no hydrogen 2.789 N/A TRP 167.A N LEU 150.A O no hydrogen 3.172 N/A ARG 168.A N THR 263.A O no hydrogen 2.800 N/A ARG 168.A NE GLU 264.A O no hydrogen 3.458 N/A ARG 168.A NH1 GLU 147.A OE1 no hydrogen 3.079 N/A HIS 169.A N TYR 148.A O no hydrogen 2.907 N/A HIS 169.A NE2 ASP 172.A OD2 no hydrogen 2.595 N/A ASP 172.A N HIS 146.A O no hydrogen 3.146 N/A GLU 173.A N ASP 172.A OD1 no hydrogen 2.770 N/A ASP 176.A N SER 141.A O no hydrogen 2.767 N/A ARG 177.A N GLU 203.A OE2 no hydrogen 3.102 N/A ARG 177.A NE ASP 176.A OD1 no hydrogen 2.905 N/A ARG 178.A N GLY 110.A O no hydrogen 2.871 N/A ARG 178.A NE GLY 120.A O no hydrogen 2.811 N/A ARG 178.A NH1 SER 135.A O no hydrogen 2.937 N/A ARG 178.A NH1 GLY 137.A O no hydrogen 3.000 N/A ARG 178.A NH2 GLY 120.A O no hydrogen 3.359 N/A ARG 178.A NH2 SER 135.A O no hydrogen 2.895 N/A GLY 179.A N PRO 121.A O no hydrogen 3.315 N/A GLY 181.A N ALA 108.A O no hydrogen 2.844 N/A ASN 182.A ND2 ARG 105.A O no hydrogen 2.835 N/A ASN 182.A ND2 ASP 210.A O no hydrogen 2.859 N/A ILE 183.A N GLY 181.A O no hydrogen 2.871 N/A ARG 184.A N THR 208.A O no hydrogen 2.803 N/A ASP 185.A N THR 208.A OG1 no hydrogen 3.023 N/A LEU 187.A N VAL 206.A O no hydrogen 2.884 N/A TYR 188.A N VAL 206.A O no hydrogen 2.985 N/A THR 189.A N ASN 151.A O no hydrogen 3.073 N/A THR 189.A OG1 GLU 202.A OE2 no hydrogen 2.576 N/A ALA 190.A N GLU 203.A O no hydrogen 2.986 N/A SER 192.A N ARG 201.A O no hydrogen 2.857 N/A GLU 195.A N ASP 193.A OD1 no hydrogen 2.824 N/A THR 196.A N ASP 193.A O no hydrogen 2.965 N/A THR 196.A OG1 ASP 193.A O no hydrogen 2.717 N/A ASN 197.A N LYS 194.A O no hydrogen 2.970 N/A GLY 198.A N ASP 193.A O no hydrogen 3.039 N/A SER 199.A N SER 192.A OG no hydrogen 2.883 N/A SER 199.A OG GLU 203.A OE2 no hydrogen 2.602 N/A GLY 200.A N SER 192.A O no hydrogen 2.711 N/A ARG 201.A N SER 199.A OG no hydrogen 3.024 N/A GLU 203.A N ALA 190.A O no hydrogen 2.902 N/A LEU 205.A N TYR 188.A O no hydrogen 2.958 N/A VAL 206.A N TYR 188.A O no hydrogen 3.129 N/A PHE 207.A N HIS 218.A O no hydrogen 3.001 N/A THR 208.A N ASP 185.A O no hydrogen 2.940 N/A THR 208.A OG1 ASP 185.A O no hydrogen 3.550 N/A VAL 209.A N ILE 216.A O no hydrogen 3.113 N/A ASP 210.A N ASN 182.A O no hydrogen 2.817 N/A TYR 211.A OH GLU 102.A OE1.B no hydrogen 2.344 N/A ALA 214.A N TYR 211.A O no hydrogen 3.105 N/A ARG 215.A N GLY 85.A O no hydrogen 3.165 N/A ARG 215.A NE ALA 248.A O no hydrogen 3.239 N/A ARG 215.A NH2 ALA 249.A O no hydrogen 3.430 N/A PHE 217.A N VAL 87.A O no hydrogen 2.808 N/A HIS 218.A N PHE 207.A O no hydrogen 2.784 N/A HIS 218.A ND1 CYS 107.A O no hydrogen 2.811 N/A HIS 218.A NE2 ASP 94.A OD2 no hydrogen 2.735 N/A THR 219.A N ILE 89.A O no hydrogen 2.983 N/A GLY 221.A N ASP 172.A OD2 no hydrogen 2.786 N/A HIS 222.A N ASP 172.A OD1 no hydrogen 3.086 N/A GLY 224.A N ASN 230.A OD1 no hydrogen 2.848 N/A THR 226.A OG1 GLU 228.A OE1 no hydrogen 3.507 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.983 N/A ASP 229.A N THR 226.A OG1 no hydrogen 2.986 N/A ASN 230.A N GLN 233.A OE1 no hydrogen 3.035 N/A ASN 230.A ND2 TYR 273.A OH no hydrogen 2.935 N/A GLN 233.A NE2 GLU 228.A O no hydrogen 2.902 N/A GLN 233.A NE2 LYS 271.A O no hydrogen 3.172 N/A CYS 234.A N ILE 231.A O no hydrogen 3.056 N/A CYS 234.A SG HIS 169.A ND1 no hydrogen 3.141 N/A THR 235.A N SER 268.A O no hydrogen 2.850 N/A THR 235.A OG1 SER 268.A OG no hydrogen 2.977 N/A GLN 238.A N CYS 234.A O no hydrogen 3.162 N/A GLN 238.A NE2 ARG 270.A O no hydrogen 2.980 N/A VAL 239.A N THR 235.A O no hydrogen 2.830 N/A LEU 240.A N GLY 236.A O no hydrogen 2.961 N/A LEU 241.A N PHE 237.A O no hydrogen 2.913 N/A LEU 242.A N GLN 238.A O no hydrogen 2.882 N/A ARG 243.A N VAL 239.A O no hydrogen 2.942 N/A ARG 243.A NE.A VAL 159.A O no hydrogen 2.706 N/A ARG 243.A NH1.B VAL 159.A O no hydrogen 2.971 N/A ARG 243.A NH1.B LYS 161.A O no hydrogen 3.032 N/A ARG 243.A NH2.A PRO 158.A O no hydrogen 3.163 N/A ARG 243.A NH2.A VAL 159.A O no hydrogen 3.512 N/A ARG 243.A NH2.B LYS 161.A O no hydrogen 3.447 N/A ARG 243.A NH2.B GLN 255.A O no hydrogen 3.188 N/A GLY 244.A N LEU 240.A O no hydrogen 2.829 N/A ALA 245.A N LEU 241.A O no hydrogen 2.818 N/A GLU 246.A N LEU 242.A O no hydrogen 3.028 N/A TRP 247.A N ARG 243.A O no hydrogen 2.867 N/A ALA 248.A N GLY 244.A O no hydrogen 2.817 N/A ALA 249.A N ALA 245.A O no hydrogen 3.039 N/A THR 250.A N GLU 246.A O no hydrogen 2.928 N/A THR 250.A OG1 GLU 246.A O no hydrogen 2.821 N/A GLY 251.A N TRP 247.A O no hydrogen 2.722 N/A LYS 252.A N THR 250.A OG1 no hydrogen 3.211 N/A THR 254.A N GLU 246.A OE1 no hydrogen 2.943 N/A THR 254.A N GLU 246.A OE2 no hydrogen 3.244 N/A THR 254.A OG1 GLU 246.A OE2 no hydrogen 2.631 N/A GLN 255.A NE2 LEU 242.A O no hydrogen 3.177 N/A GLN 255.A NE2 GLU 246.A OE1 no hydrogen 2.807 N/A PHE 261.A N PRO 258.A O no hydrogen 3.401 N/A THR 263.A N THR 266.A O no hydrogen 3.078 N/A THR 263.A OG1 THR 265.A OG1 no hydrogen 3.384 N/A THR 265.A N THR 263.A OG1 no hydrogen 3.280 N/A THR 265.A OG1 THR 263.A OG1 no hydrogen 3.384 N/A THR 265.A OG1 THR 266.A OG1 no hydrogen 2.985 N/A THR 266.A N THR 263.A OG1 no hydrogen 2.952 N/A THR 266.A OG1 THR 265.A OG1 no hydrogen 2.985 N/A CYS 267.A SG ARG 168.A O no hydrogen 3.960 N/A SER 268.A OG THR 235.A OG1 no hydrogen 2.977 N/A SER 268.A OG ASP 260.A O no hydrogen 2.604 N/A ARG 270.A N GLN 233.A O no hydrogen 2.859 N/A ARG 270.A NE ASP 260.A OD2 no hydrogen 2.867 N/A ARG 270.A NH2 ASP 260.A OD1 no hydrogen 2.914 N/A ARG 270.A NH2 ASP 260.A OD2 no hydrogen 3.564 N/A TYR 273.A N ARG 270.A O no hydrogen 3.052 N/A TYR 273.A OH THR 227.A O no hydrogen 2.556 N/A LYS 274.A NZ ASN 30.A O no hydrogen 2.951 N/A ASN 276.A ND2 ASP 272.A OD1 no hydrogen 3.151 N/A ASN 276.A ND2 ASP 272.A OD2 no hydrogen 3.135 N/A