Protein Data Bank File : 1g2ca Title : VIRUS/VIRAL PROTEIN 18-OCT-00 1G2C Number of Amino Acid Residues : 50 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 LEU GLU GLY GLU VAL ASN LYS ILE LYS SER 10 ALA LEU LEU SER THR ASN LYS ALA VAL VAL 20 SER LEU SER ASN GLY VAL SER VAL LEU THR 30 SER LYS VAL LEU ASP LEU LYS ASN TYR ILE 40 ASP LYS GLN LEU LEU PRO ILE VAL ASN LYS Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 LEU 0.0 -31.9 178.2 -171.7 61.7 2 GLU -68.8 -60.9 179.4 164.4 55.0 63.9 3 GLY -62.1 -7.8 -179.9 4 GLU -101.8 -21.0 178.1 -59.0 -33.7 71.9 5 VAL -80.9 -12.4 179.4 160.7 6 ASN -96.1 -29.3 179.4 64.8 44.8 7 LYS -65.4 -52.9 179.1 -68.9 -168.4 171.5 174.3 8 ILE -54.5 -33.3 -180.0 -68.7 -179.3 9 LYS -65.4 -47.0 179.3 -174.3 175.1 171.7 -64.1 10 SER -66.7 -28.3 -180.0 -77.8 11 ALA -73.5 -44.2 179.7 12 LEU -62.6 -42.0 180.0 -142.3 -166.0 13 LEU -57.4 -37.7 179.0 -73.3 176.7 14 SER -73.5 -34.9 179.6 -87.4 15 THR -68.7 -35.6 179.8 -64.2 16 ASN -67.4 -40.0 179.2 -76.6 -18.5 17 LYS -65.3 -31.3 179.7 -73.4 -177.8 -168.1 173.5 18 ALA -63.8 -39.0 -180.0 19 VAL -74.8 -35.4 178.9 179.1 20 VAL -63.8 -46.3 178.6 167.2 21 SER -58.3 -52.9 -179.4 -73.4 22 LEU -60.1 -38.4 179.2 -170.2 58.2 23 SER -62.7 -42.9 179.2 -60.1 24 ASN -66.4 -35.9 179.2 -66.9 -36.3 25 GLY -64.5 -40.6 179.7 26 VAL -70.7 -34.9 179.2 176.5 27 SER -59.6 -47.1 178.9 -170.3 28 VAL -68.4 -37.0 179.9 175.1 29 LEU -64.2 -41.3 179.8 -177.8 63.0 30 THR -59.3 -44.9 -179.3 -59.5 31 SER -66.8 -28.7 178.9 81.0 32 LYS -73.4 -39.2 179.6 -76.0 -48.7 85.2 171.0 33 VAL -62.5 -44.3 178.3 165.1 34 LEU -60.1 -41.8 179.1 -172.6 61.1 35 ASP -55.1 -48.8 178.9 -80.3 16.1 36 LEU -55.6 -55.3 -179.7 -88.1 168.1 37 LYS -51.8 -48.7 -179.7 168.4 -84.5 -167.7 175.4 38 ASN -63.2 -33.6 179.1 -74.7 -25.3 39 TYR -65.1 -50.2 179.7 -171.7 77.6 40 ILE -58.8 -50.2 -179.1 -62.1 172.7 41 ASP -63.3 -54.4 -177.7 -178.8 -56.9 42 LYS -90.6 -15.1 -179.0 -60.3 -63.3 177.2 -175.1 43 GLN -115.9 -47.9 -177.5 -68.1 -74.8 -61.2 44 LEU -75.9 -55.7 -178.8 -158.1 57.6 45 LEU -51.2 -50.3 -179.7 -66.6 -167.8 46 PRO -52.8 -31.8 179.0 -27.5 42.2 47 ILE -85.6 -39.9 178.7 -70.3 177.9 48 VAL -65.0 -0.4 -177.4 167.2 49 ASN -117.3 -55.3 -178.8 -77.0 163.2 50 LYS -69.9 0.3 0.0 -161.6 61.2 178.0 -174.2 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 LEU 15.329 81.669 17.863 2 GLU 15.871 79.415 20.865 3 GLY 14.075 76.491 19.268 4 GLU 15.878 77.487 16.075 5 VAL 19.368 77.569 17.562 6 ASN 18.611 73.951 18.434 7 LYS 17.282 72.957 15.007 8 ILE 20.487 74.095 13.379 9 LYS 22.277 72.071 16.050 10 SER 20.480 68.869 15.053 11 ALA 21.121 69.670 11.380 12 LEU 24.851 70.170 11.843 13 LEU 24.961 66.911 13.793 14 SER 23.444 65.163 10.770 15 THR 25.851 66.962 8.468 16 ASN 28.769 65.783 10.568 17 LYS 27.565 62.201 10.309 18 ALA 27.331 62.750 6.544 19 VAL 31.022 63.602 6.512 20 VAL 32.020 60.677 8.748 21 SER 30.217 58.329 6.369 22 LEU 31.748 59.781 3.183 23 SER 35.131 59.692 4.890 24 ASN 34.767 55.962 5.672 25 GLY 33.665 55.416 2.084 26 VAL 36.775 57.165 0.754 27 SER 38.965 55.243 3.216 28 VAL 37.814 51.915 1.757 29 LEU 38.111 53.255 -1.804 30 THR 41.669 54.274 -1.025 31 SER 42.579 50.760 0.147 32 LYS 41.099 49.238 -3.014 33 VAL 43.093 51.576 -5.218 34 LEU 46.252 50.586 -3.350 35 ASP 45.106 46.993 -3.898 36 LEU 44.892 47.508 -7.656 37 LYS 48.342 49.056 -7.748 38 ASN 49.840 46.192 -5.704 39 TYR 48.189 43.618 -7.937 40 ILE 49.654 45.121 -11.116 41 ASP 53.037 45.610 -9.459 42 LYS 53.414 42.317 -7.565 43 GLN 51.273 39.974 -9.651 44 LEU 50.880 41.198 -13.226 45 LEU 54.225 42.777 -14.120 46 PRO 56.434 39.813 -13.063 47 ILE 54.568 37.600 -15.537 48 VAL 54.318 40.297 -18.199 49 ASN 58.109 40.168 -17.906 50 LYS 59.883 36.816 -17.470 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 H H H H H H H H H H 10 H H H H H H H H H H 20 H H H H H H H H H H 30 H H H H H H H H H H 40 H H H H H H H S S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 h H H H H h H H H H 10 H H H H H H H H H H 20 H H H H H H H H H H 30 H H H H H H H H H H 40 H H h H H H H H H h Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 LEU 8.4 5.7 80.9 2 GLU 3.3 2.4 84.1 3 GLY 11.6 33.3 78.8 4 GLU 67.4 48.6 69.6 5 VAL 29.2 24.6 73.7 6 ASN 55.5 45.9 67.1 7 LYS 46.6 26.8 85.9 8 ILE 22.8 15.9 76.3 9 LYS 43.5 25.1 73.4 10 SER 18.6 22.3 75.0 11 ALA 16.4 22.6 77.0 12 LEU 49.5 33.5 79.0 13 LEU 61.0 41.3 79.1 14 SER 20.2 24.2 77.0 15 THR 33.0 30.9 68.1 16 ASN 48.3 39.9 62.7 17 LYS 24.6 14.2 81.1 18 ALA 20.0 27.6 73.4 19 VAL 30.6 25.8 77.0 20 VAL 28.3 23.8 78.7 21 SER 19.6 23.5 81.6 22 LEU 19.1 12.9 79.5 23 SER 30.5 36.4 69.0 24 ASN 33.5 27.7 70.6 25 GLY 2.5 7.1 75.7 26 VAL 41.1 34.6 69.4 27 SER 19.6 23.4 78.3 28 VAL 23.0 19.3 80.3 29 LEU 34.5 23.3 71.6 30 THR 24.9 23.3 72.3 31 SER 34.9 41.8 66.5 32 LYS 64.7 37.3 78.3 33 VAL 32.9 27.7 67.8 34 LEU 47.4 32.1 78.0 35 ASP 49.4 44.7 76.2 36 LEU 30.0 20.3 75.7 37 LYS 65.2 37.6 71.5 38 ASN 65.4 54.1 64.3 39 TYR 53.5 29.6 71.3 40 ILE 61.5 42.8 58.3 41 ASP 61.8 55.9 59.6 42 LYS 37.1 21.4 83.2 43 GLN 46.4 31.2 70.8 44 LEU 62.5 42.3 58.3 45 LEU 64.4 43.6 65.0 46 PRO 62.4 50.2 75.0 47 ILE 12.0 8.3 86.8 48 VAL 39.5 33.2 68.4 49 ASN 37.3 30.9 76.3 50 LYS 0.0 0.0 93.9