==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 08-OCT-01 1K4R . COMPND 2 MOLECULE: MAJOR ENVELOPE PROTEIN E; . SOURCE 2 ORGANISM_SCIENTIFIC: CHIMERIC TICK-BORNE ENCEPHALITIS . AUTHOR R.J.KUHN,W.ZHANG,M.G.ROSSMANN,S.V.PLETNEV,J.CORVER, . 1185 3 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 740 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 432 36.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 21 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 111 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 15 15 12 9 15 3 6 6 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 12 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S > 0 0 7 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 131.3 -41.8 -20.5 234.5 2 2 A R G > + 0 0 52 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.864 360.0 61.1 -54.7 -44.2 -38.1 -20.0 234.5 3 3 A a G > S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.736 91.3 68.5 -58.6 -21.3 -37.7 -19.5 230.8 4 4 A T G < S+ 0 0 26 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.620 87.2 71.2 -72.6 -10.2 -40.0 -16.4 231.0 5 5 A H G < S+ 0 0 54 -3,-2.3 2,-0.3 -4,-0.3 -1,-0.2 0.624 96.8 54.2 -77.6 -20.1 -37.2 -14.7 232.9 6 6 A L < - 0 0 33 -3,-1.2 23,-0.0 -4,-0.2 3,-0.0 -0.814 69.6-136.6-120.0 164.7 -34.9 -14.3 229.8 7 7 A E S S+ 0 0 187 -2,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.840 92.8 74.3 -81.5 -36.3 -35.0 -13.0 226.3 8 8 A N + 0 0 60 20,-0.3 22,-0.4 21,-0.0 2,-0.4 -0.638 67.2 144.6 -83.5 94.4 -33.2 -16.0 224.8 9 9 A R - 0 0 17 -2,-1.3 2,-0.3 20,-0.2 22,-0.2 -0.991 29.0-165.3-135.9 138.7 -35.9 -18.7 224.8 10 10 A D E -a 31 0A 75 20,-2.5 22,-2.9 -2,-0.4 2,-0.5 -0.878 12.5-142.3-119.8 154.2 -36.8 -21.6 222.5 11 11 A F E -a 32 0A 85 -2,-0.3 2,-0.4 20,-0.2 22,-0.2 -0.969 14.6-171.9-118.2 126.9 -39.9 -23.7 222.2 12 12 A V E -a 33 0A 42 20,-2.8 22,-2.2 -2,-0.5 2,-0.4 -0.984 7.4-166.4-118.3 133.6 -39.6 -27.4 221.4 13 13 A T E -a 34 0A 101 -2,-0.4 2,-0.5 20,-0.2 22,-0.2 -0.972 10.9-159.8-130.6 126.5 -42.7 -29.4 220.8 14 14 A G E -a 35 0A 2 20,-2.2 22,-1.0 -2,-0.4 3,-0.1 -0.868 15.2-164.2-101.3 131.4 -43.3 -33.1 220.6 15 15 A T - 0 0 91 -2,-0.5 3,-0.4 1,-0.2 2,-0.3 0.212 49.2 -26.8 -90.3-147.1 -46.4 -34.4 218.8 16 16 A Q S S+ 0 0 156 1,-0.2 -1,-0.2 19,-0.1 3,-0.1 -0.526 132.9 5.1 -70.9 128.0 -48.2 -37.8 218.8 17 17 A G S S+ 0 0 63 -2,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.018 89.0 135.6 89.5 -29.7 -45.7 -40.6 219.6 18 18 A T + 0 0 52 -3,-0.4 -1,-0.3 1,-0.2 -4,-0.1 -0.381 13.8 154.7 -56.9 108.4 -42.8 -38.3 220.3 19 19 A T + 0 0 61 -2,-0.4 275,-3.0 1,-0.2 276,-0.6 0.646 59.2 49.2-109.3 -24.9 -41.4 -39.8 223.5 20 20 A R E -G 293 0B 124 273,-0.2 2,-0.4 274,-0.1 273,-0.2 -0.878 64.0-165.7-119.9 146.0 -37.8 -38.5 223.1 21 21 A V E -G 292 0B 10 271,-2.1 271,-3.4 -2,-0.3 2,-0.5 -0.998 8.8-151.9-136.3 130.5 -36.6 -35.0 222.4 22 22 A T E +G 291 0B 94 -2,-0.4 2,-0.3 269,-0.2 269,-0.2 -0.909 22.8 179.1-104.2 123.7 -33.1 -33.8 221.3 23 23 A L E -G 290 0B 7 267,-2.7 267,-2.5 -2,-0.5 2,-0.7 -0.899 29.8-141.1-124.3 154.1 -32.1 -30.3 222.3 24 24 A V E -G 289 0B 83 -2,-0.3 2,-0.4 265,-0.2 265,-0.2 -0.946 28.6-162.1-114.2 102.5 -29.1 -28.1 221.8 25 25 A L E -G 288 0B 2 263,-2.6 263,-2.3 -2,-0.7 2,-0.4 -0.742 5.1-165.7 -88.2 134.9 -28.8 -26.2 225.1 26 26 A E E > -G 287 0B 80 -2,-0.4 3,-2.3 261,-0.2 19,-0.4 -0.942 30.4-101.1-125.2 144.9 -26.7 -23.1 225.2 27 27 A L T 3 S+ 0 0 31 259,-2.8 259,-0.3 -2,-0.4 19,-0.1 -0.436 114.1 22.3 -59.2 129.9 -25.4 -21.1 228.2 28 28 A G T 3 S+ 0 0 57 17,-0.6 -20,-0.3 1,-0.4 -1,-0.3 0.453 109.6 98.1 87.9 -1.0 -27.7 -18.0 228.6 29 29 A G < - 0 0 4 -3,-2.3 -1,-0.4 16,-0.3 2,-0.3 -0.552 54.4-158.3-109.3-179.3 -30.6 -19.8 226.7 30 30 A a - 0 0 2 -22,-0.4 -20,-2.5 -2,-0.2 2,-0.5 -0.950 4.8-149.2-161.1 137.0 -33.6 -21.6 228.0 31 31 A V E -aB 10 43A 5 12,-2.8 12,-2.6 -2,-0.3 2,-0.6 -0.956 0.7-157.2-118.3 129.2 -35.9 -24.2 226.4 32 32 A T E -aB 11 42A 0 -22,-2.9 -20,-2.8 -2,-0.5 2,-0.5 -0.908 14.6-161.1-100.8 120.1 -39.6 -24.7 227.0 33 33 A I E +aB 12 41A 3 8,-3.4 8,-2.2 -2,-0.6 2,-0.4 -0.911 11.5 177.9-103.3 128.2 -40.7 -28.3 226.1 34 34 A T E +a 13 0A 28 -22,-2.2 -20,-2.2 -2,-0.5 2,-0.3 -0.947 3.8 169.2-125.4 145.4 -44.4 -29.0 225.5 35 35 A A E > -aB 14 38A 15 3,-0.5 3,-2.3 -2,-0.4 -20,-0.2 -0.956 42.5 -89.1-158.2 140.7 -45.9 -32.3 224.5 36 36 A E T 3 S+ 0 0 118 -22,-1.0 -19,-0.1 -2,-0.3 -2,-0.0 -0.232 111.7 2.3 -51.8 127.0 -49.4 -33.8 224.2 37 37 A G T 3 S+ 0 0 56 1,-0.2 262,-0.4 261,-0.0 -1,-0.3 0.515 111.9 104.5 72.4 6.6 -50.4 -35.5 227.5 38 38 A K E < S-B 35 0A 45 -3,-2.3 -3,-0.5 260,-0.1 -1,-0.2 -0.887 77.4-111.2-120.1 146.3 -47.2 -34.5 229.2 39 39 A P E - 0 0 5 0, 0.0 2,-0.1 0, 0.0 108,-0.1 -0.540 46.1-106.1 -71.5 143.6 -46.6 -31.7 231.8 40 40 A S E - 0 0 4 106,-0.2 106,-2.4 318,-0.2 2,-0.4 -0.447 36.4-156.5 -70.9 150.3 -44.5 -28.9 230.2 41 41 A M E -BC 33 145A 3 -8,-2.2 -8,-3.4 104,-0.2 2,-0.5 -0.971 13.4-148.6-133.3 139.4 -40.8 -28.6 231.2 42 42 A D E +BC 32 144A 0 102,-3.0 102,-2.3 -2,-0.4 2,-0.4 -0.938 25.5 179.4-104.9 127.1 -38.3 -25.8 231.2 43 43 A V E +BC 31 143A 2 -12,-2.6 -12,-2.8 -2,-0.5 2,-0.3 -0.980 4.6 165.0-130.1 140.7 -34.7 -27.0 230.6 44 44 A W E - C 0 142A 4 98,-2.1 98,-2.8 -2,-0.4 2,-0.6 -0.994 41.5-113.6-157.2 149.7 -31.4 -25.1 230.4 45 45 A L E - C 0 141A 2 -19,-0.4 -17,-0.6 -2,-0.3 -16,-0.3 -0.748 35.5-178.9 -80.4 119.0 -27.7 -25.4 230.5 46 46 A D E - 0 0 71 94,-3.0 2,-0.3 -2,-0.6 95,-0.2 0.776 53.1 -5.6 -94.1 -32.5 -26.7 -23.6 233.7 47 47 A A E - C 0 140A 12 93,-1.2 93,-2.3 2,-0.0 2,-0.4 -0.991 41.6-159.1-161.3 157.4 -22.9 -23.8 233.9 48 48 A I E + C 0 139A 0 235,-0.5 235,-2.5 -2,-0.3 2,-0.3 -0.959 40.7 132.3-140.3 119.8 -19.7 -25.3 232.3 49 49 A Y E -DC 282 138A 28 89,-2.2 89,-3.3 -2,-0.4 2,-0.4 -0.985 42.1-140.9-160.4 170.5 -16.7 -25.4 234.5 50 50 A Q E -D 281 0A 7 231,-1.4 231,-2.7 -2,-0.3 2,-0.4 -0.993 25.4-127.2-139.0 137.4 -13.8 -27.4 235.9 51 51 A E E S-D 280 0A 98 85,-0.4 229,-0.2 -2,-0.4 227,-0.0 -0.734 85.6 -7.5 -84.6 138.5 -12.5 -27.3 239.5 52 52 A N S S- 0 0 111 227,-2.6 -1,-0.2 -2,-0.4 228,-0.1 0.891 81.8-162.3 46.0 54.9 -8.8 -26.6 239.9 53 53 A P - 0 0 9 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.267 32.4 -85.5 -61.8 159.1 -7.7 -26.7 236.2 54 54 A A E -J 131 0C 61 77,-0.8 77,-2.4 76,-0.1 2,-0.4 -0.357 42.7-129.5 -65.0 142.2 -4.0 -27.2 235.5 55 55 A K E -J 130 0C 80 75,-0.2 75,-0.3 -3,-0.1 3,-0.1 -0.747 21.1-171.2 -95.2 136.8 -2.0 -24.0 235.5 56 56 A T E - 0 0 35 73,-2.4 174,-0.5 -2,-0.4 -1,-0.1 0.106 57.2 -19.2 -95.2-137.7 0.3 -23.4 232.5 57 57 A R E - 0 0 64 172,-0.1 72,-2.1 71,-0.1 2,-0.4 -0.222 54.2-143.1 -67.3 159.7 2.7 -20.4 232.8 58 58 A E E -JK 128 228C 5 170,-2.5 170,-2.0 70,-0.2 2,-0.3 -0.925 17.9-156.5-115.9 139.3 2.4 -17.4 235.2 59 59 A Y E -JK 127 227C 0 68,-2.6 68,-2.0 -2,-0.4 2,-0.5 -0.889 12.0-129.7-116.2 151.9 3.5 -14.1 233.7 60 60 A b E -J 126 0C 2 166,-2.5 66,-0.2 -2,-0.3 3,-0.2 -0.896 19.0-177.2-103.8 126.2 4.6 -11.0 235.7 61 61 A L S S+ 0 0 3 64,-3.3 199,-3.2 -2,-0.5 2,-0.3 0.622 76.2 30.5 -93.4 -18.7 2.9 -7.7 234.9 62 62 A H S S- 0 0 48 63,-0.6 60,-2.6 197,-0.2 -1,-0.3 -0.851 76.5-143.3-147.4 109.0 5.0 -5.5 237.2 63 63 A A E -P 121 0D 6 -2,-0.3 2,-0.6 195,-0.3 58,-0.3 -0.444 3.9-150.6 -74.4 140.5 8.6 -6.2 238.2 64 64 A K E -P 120 0D 112 56,-2.3 56,-2.1 -2,-0.1 2,-0.4 -0.972 22.0-166.9-109.6 108.8 9.7 -5.4 241.8 65 65 A L E +P 119 0D 42 -2,-0.6 2,-0.3 54,-0.2 54,-0.2 -0.821 14.2 157.9-102.8 144.4 13.4 -4.6 241.5 66 66 A S E +P 118 0D 49 52,-1.8 52,-3.0 -2,-0.4 -2,-0.0 -0.975 42.2 35.8-157.8 167.6 15.8 -4.3 244.4 67 67 A D E - 0 0 93 -2,-0.3 -1,-0.1 50,-0.2 2,-0.1 0.879 64.5-160.5 51.7 54.3 19.4 -4.4 245.6 68 68 A T E - 0 0 81 49,-0.1 2,-0.4 -3,-0.1 49,-0.2 -0.404 11.1-172.2 -62.8 128.4 21.0 -2.8 242.6 69 69 A K E -P 116 0D 92 47,-2.6 47,-2.6 -2,-0.1 2,-0.4 -0.993 9.3-170.3-130.6 138.3 24.8 -3.6 242.5 70 70 A V E -P 115 0D 59 -2,-0.4 2,-0.4 45,-0.2 45,-0.2 -0.975 4.4-173.8-128.6 139.4 27.5 -2.2 240.2 71 71 A A E +P 114 0D 22 43,-2.5 43,-2.5 -2,-0.4 2,-0.3 -0.999 10.7 179.3-131.5 131.3 31.1 -3.3 239.8 72 72 A A E -P 113 0D 33 -2,-0.4 2,-0.4 41,-0.2 41,-0.2 -0.993 8.8-162.3-135.4 144.6 33.6 -1.4 237.6 73 73 A R - 0 0 107 39,-3.0 39,-0.3 -2,-0.3 7,-0.1 -0.961 25.5-110.3-127.5 147.9 37.3 -1.9 236.7 74 74 A c > - 0 0 24 -2,-0.4 3,-1.3 37,-0.2 38,-0.3 -0.236 48.0 -89.8 -68.2 162.3 39.9 0.5 235.3 75 75 A P T 3 S+ 0 0 40 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.698 125.6 35.5 -45.8 -32.0 41.1 -0.1 231.7 76 76 A T T 3 S+ 0 0 105 1,-0.1 35,-0.1 31,-0.1 -2,-0.0 0.569 98.3 82.6-102.0 -8.4 44.0 -2.5 232.7 77 77 A M S < S- 0 0 113 -3,-1.3 -1,-0.1 1,-0.2 -3,-0.1 0.302 89.8-127.8 -80.8 8.4 42.3 -4.2 235.6 78 78 A G - 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