==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 07-MAR-12 4E27 . COMPND 2 MOLECULE: CAPSID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR T.K.CRAIG,J.ABENDROTH,D.LORIMER,A.B.BURGIN JR,A.SEGALL,F.ROH . 793 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 272 34.3 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 70 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 9 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 8 5 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 0 0 PARALLEL BRIDGES PER LADDER . 11 1 1 2 8 10 0 5 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 3 5 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 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 4 A Q 0 0 114 0, 0.0 23,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 152.6 56.2 -9.6 60.4 2 5 A F E -A 23 0A 107 21,-2.4 21,-3.3 0, 0.0 2,-0.4 -0.821 360.0 -93.2-144.1-179.5 53.3 -10.2 62.8 3 6 A R E -A 22 0A 84 19,-0.3 2,-0.3 -2,-0.2 19,-0.3 -0.847 31.9-138.8-108.0 142.3 50.9 -12.9 64.0 4 7 A I - 0 0 45 17,-2.2 2,-0.5 -2,-0.4 19,-0.0 -0.770 5.6-157.9-103.5 143.3 47.5 -13.6 62.5 5 8 A D + 0 0 108 -2,-0.3 2,-0.3 4,-0.0 17,-0.0 -0.857 47.2 110.4-121.2 95.1 44.2 -14.5 64.3 6 9 A S > - 0 0 47 -2,-0.5 4,-1.3 1,-0.1 5,-0.1 -0.837 43.1-163.3-166.5 122.0 41.8 -16.3 62.1 7 10 A E H > S+ 0 0 159 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.854 92.0 58.9 -79.7 -34.8 40.6 -19.9 62.2 8 11 A S H > S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.927 107.6 46.6 -58.4 -46.3 39.2 -19.9 58.7 9 12 A I H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 111.1 51.0 -66.7 -41.0 42.6 -19.0 57.2 10 13 A R H X S+ 0 0 42 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.888 113.5 47.2 -62.4 -38.9 44.4 -21.6 59.3 11 14 A D H X S+ 0 0 52 -4,-2.5 4,-1.6 2,-0.2 5,-0.2 0.924 110.2 50.8 -68.8 -42.8 41.8 -24.1 58.0 12 15 A K H X S+ 0 0 58 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.937 113.8 45.8 -58.4 -43.8 42.1 -23.1 54.4 13 16 A L H X S+ 0 0 24 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.778 106.9 59.9 -69.1 -27.3 45.9 -23.4 54.6 14 17 A N H < S+ 0 0 62 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.885 114.8 33.2 -65.8 -39.9 45.5 -26.7 56.4 15 18 A T H < S+ 0 0 90 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.1 0.858 117.6 51.8 -87.6 -40.6 43.7 -28.3 53.5 16 19 A L H < S+ 0 0 10 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.936 125.6 26.1 -62.3 -47.2 45.4 -26.5 50.6 17 20 A L S < S- 0 0 18 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.773 89.9-167.3-120.9 86.0 48.8 -27.4 51.9 18 21 A P 0 0 60 0, 0.0 306,-0.3 0, 0.0 -3,-0.1 0.075 360.0 360.0 -66.7 176.1 48.5 -30.6 53.9 19 22 A S 0 0 111 304,-0.2 304,-0.2 -5,-0.1 320,-0.0 -0.957 360.0 360.0-125.3 360.0 51.1 -32.2 56.2 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 32 A L 0 0 84 0, 0.0 -17,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 135.1 50.7 -18.5 61.6 22 33 A S E -Ab 3 343A 30 320,-1.3 322,-2.6 -19,-0.3 2,-0.3 -0.576 360.0-148.0-115.0 170.1 52.3 -15.2 60.7 23 34 A G E -Ab 2 344A 3 -21,-3.3 -21,-2.4 320,-0.3 2,-0.3 -0.889 12.5-137.4-130.9 166.1 51.7 -12.2 58.5 24 35 A S - 0 0 22 320,-1.4 -21,-0.0 -2,-0.3 3,-0.0 -0.943 8.7-156.9-128.1 150.3 54.1 -9.8 56.7 25 36 A T + 0 0 61 -2,-0.3 637,-1.2 1,-0.1 2,-0.5 0.053 69.4 92.8-112.8 24.5 54.0 -6.0 56.2 26 37 A T E -c 662 0B 40 635,-0.1 637,-0.3 637,-0.1 2,-0.2 -0.862 69.6-142.1-122.1 98.3 56.2 -5.8 53.1 27 38 A I E -c 663 0B 32 635,-2.0 637,-1.2 -2,-0.5 320,-0.3 -0.369 15.3-151.4 -59.1 121.9 54.1 -5.8 49.9 28 39 A I E -e 347 0C 33 318,-2.6 320,-1.0 -2,-0.2 2,-0.5 -0.866 7.3-138.3-103.7 116.5 55.9 -7.9 47.2 29 40 A P E -e 348 0C 24 0, 0.0 639,-1.7 0, 0.0 2,-0.3 -0.592 33.1-179.0 -71.1 119.5 55.3 -7.0 43.5 30 41 A V E -ef 349 668C 20 318,-3.0 320,-2.1 -2,-0.5 2,-0.4 -0.723 25.0-147.3-112.7 164.8 55.0 -10.2 41.6 31 42 A V E - f 0 669C 22 637,-2.3 639,-2.4 -2,-0.3 2,-0.6 -0.991 24.2-129.4-125.6 143.4 54.4 -11.3 38.0 32 43 A D E + f 0 670C 60 -2,-0.4 639,-0.2 637,-0.2 3,-0.1 -0.808 29.2 170.7-101.4 122.8 52.4 -14.4 37.3 33 44 A L > + 0 0 13 637,-2.9 4,-2.0 -2,-0.6 3,-0.3 0.147 47.0 111.4-109.0 15.7 53.8 -17.1 35.0 34 45 A T H > S+ 0 0 13 1,-0.2 4,-1.3 636,-0.2 5,-0.3 0.925 75.1 49.3 -61.2 -49.8 51.2 -19.7 35.7 35 46 A E H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.798 114.1 48.1 -61.7 -28.1 49.4 -19.7 32.3 36 47 A T H 4 S+ 0 0 28 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.813 105.4 55.8 -82.7 -32.7 52.8 -20.0 30.6 37 48 A A H < S+ 0 0 19 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.721 116.5 38.6 -73.2 -21.9 54.1 -22.9 32.7 38 49 A E H < S- 0 0 125 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.776 110.3-145.0 -92.2 -36.6 51.0 -24.8 31.7 39 50 A G < + 0 0 45 -4,-1.7 -3,-0.2 -5,-0.3 438,-0.1 0.885 38.7 1.4 76.9 106.1 51.1 -23.5 28.2 40 51 A G S S+ 0 0 17 -5,-0.3 437,-0.2 437,-0.1 438,-0.1 0.638 101.1 41.8 77.5 144.0 48.3 -22.6 25.8 41 52 A A + 0 0 11 1,-0.1 436,-0.1 123,-0.1 437,-0.1 0.939 66.9 147.1 49.7 50.8 44.5 -22.5 25.7 42 53 A Q + 0 0 86 435,-0.3 2,-0.4 4,-0.0 -1,-0.1 0.470 47.8 73.3 -94.1 -5.7 44.6 -21.1 29.2 43 54 A R S >> S- 0 0 37 1,-0.1 4,-2.4 434,-0.1 3,-0.9 -0.899 88.9-117.6-113.3 145.8 41.5 -18.9 28.7 44 55 A E H 3> S+ 0 0 71 -2,-0.4 4,-1.4 1,-0.3 -1,-0.1 0.830 111.3 51.0 -47.5 -44.6 38.0 -20.3 28.6 45 56 A D H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 400,-0.0 0.828 113.7 43.2 -70.2 -33.3 37.3 -19.2 25.1 46 57 A L H X4 S+ 0 0 2 -3,-0.9 3,-1.5 1,-0.2 -1,-0.2 0.888 110.8 55.1 -76.2 -41.6 40.4 -20.7 23.6 47 58 A Q H 3< S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.794 107.4 50.8 -61.9 -28.6 40.1 -24.0 25.6 48 59 A K T 3< S+ 0 0 31 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.329 84.2 137.5 -94.2 7.7 36.5 -24.5 24.2 49 60 A A < - 0 0 0 -3,-1.5 2,-0.4 1,-0.1 397,-0.2 -0.097 53.7-122.0 -54.3 146.6 37.6 -24.0 20.5 50 61 A F B -j 446 0D 2 395,-2.6 397,-2.5 115,-0.1 2,-0.3 -0.732 31.2-176.8 -87.4 138.7 36.3 -26.2 17.8 51 62 A T > - 0 0 11 -2,-0.4 4,-1.8 395,-0.2 397,-0.1 -0.894 41.3-108.4-126.9 163.6 38.8 -28.1 15.7 52 63 A L T 4 S+ 0 0 7 395,-0.4 362,-0.1 -2,-0.3 396,-0.1 0.838 120.5 45.5 -55.0 -35.6 38.4 -30.3 12.6 53 64 A I T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.828 117.8 38.4 -81.2 -32.5 39.4 -33.3 14.9 54 65 A N T 4 S+ 0 0 35 2,-0.0 100,-0.3 99,-0.0 2,-0.3 0.628 87.8 109.8 -97.6 -12.2 37.2 -32.6 17.9 55 66 A T < - 0 0 4 -4,-1.8 2,-0.9 98,-0.1 98,-0.2 -0.477 53.2-157.0 -73.2 124.8 34.1 -31.3 16.2 56 67 A I E -O 152 0E 51 96,-3.3 96,-1.2 -2,-0.3 2,-0.3 -0.854 20.7-167.3 -97.0 92.2 31.0 -33.6 16.3 57 68 A D E +O 151 0E 76 -2,-0.9 2,-0.3 94,-0.2 94,-0.2 -0.626 8.4 179.2 -83.2 140.9 29.1 -32.3 13.2 58 69 A F E +O 150 0E 19 92,-1.9 92,-2.0 -2,-0.3 2,-0.2 -0.999 23.1 175.8-145.0 147.2 25.5 -33.4 12.8 59 70 A D E -O 149 0E 67 -2,-0.3 2,-0.5 90,-0.2 90,-0.2 -0.769 25.2-166.8-148.9 90.9 22.8 -32.8 10.2 60 71 A V E +O 148 0E 3 88,-3.1 88,-1.7 -2,-0.2 2,-0.4 -0.750 17.3 162.7-106.2 127.6 19.8 -34.9 11.2 61 72 A E E S-O 147 0E 78 -2,-0.5 83,-0.2 86,-0.2 86,-0.1 -0.986 70.5 -14.8-141.3 119.6 16.8 -35.6 9.0 62 73 A N S S+ 0 0 98 81,-1.1 2,-0.3 84,-0.5 80,-0.2 0.866 117.3 67.3 57.8 44.2 14.2 -38.4 9.6 63 74 A T E S-T 141 0F 73 78,-1.1 78,-2.5 80,-0.2 2,-0.5 -0.955 82.8-102.8-172.9 170.0 16.3 -40.4 12.0 64 75 A T E -T 140 0F 67 -2,-0.3 2,-0.5 76,-0.2 76,-0.2 -0.932 36.0-168.5-107.0 130.5 17.8 -40.4 15.5 65 76 A T E -T 139 0F 54 74,-3.7 74,-2.6 -2,-0.5 2,-0.2 -0.957 18.3-132.1-130.6 120.0 21.5 -39.6 15.7 66 77 A T E -T 138 0F 68 -2,-0.5 72,-0.2 72,-0.2 3,-0.1 -0.453 18.9-178.3 -64.2 129.2 23.7 -39.9 18.8 67 78 A I E S- 0 0 9 70,-3.2 2,-0.3 1,-0.4 71,-0.2 0.802 74.2 -11.6 -93.1 -44.6 25.9 -36.8 19.4 68 79 A A E +T 137 0F 8 69,-1.7 69,-3.2 1,-0.0 -1,-0.4 -0.988 50.3 173.5-153.2 151.1 27.6 -38.4 22.4 69 80 A N + 0 0 95 -2,-0.3 65,-0.3 67,-0.2 67,-0.1 0.151 58.9 81.9-147.5 25.2 27.2 -41.4 24.6 70 81 A T S S- 0 0 72 63,-0.1 61,-0.2 64,-0.1 63,-0.1 -0.922 90.0 -82.4-125.2 154.0 30.2 -41.5 27.0 71 82 A P S S+ 0 0 52 0, 0.0 2,-0.2 0, 0.0 87,-0.2 -0.161 77.2 90.5 -57.0 149.1 30.6 -39.5 30.2 72 83 A G E S-P 131 0E 0 59,-2.0 59,-2.9 85,-0.2 2,-0.5 -0.837 75.0 -75.4 150.6 173.1 31.8 -35.9 29.9 73 84 A F E -PQ 130 156E 9 83,-2.5 82,-2.8 57,-0.2 83,-1.2 -0.911 48.2-165.4-102.0 129.8 30.8 -32.3 29.6 74 85 A Y E -PQ 129 154E 7 55,-4.2 55,-3.0 -2,-0.5 2,-0.5 -0.924 18.1-149.8-120.8 140.3 29.7 -31.4 26.1 75 86 A K E +PQ 128 153E 47 78,-2.4 78,-1.7 -2,-0.4 2,-0.4 -0.918 23.5 178.8 -98.0 130.3 29.2 -28.1 24.4 76 87 A V E +PQ 127 152E 0 51,-2.3 51,-2.9 -2,-0.5 2,-0.3 -0.972 4.1 167.9-137.4 121.7 26.5 -28.3 21.7 77 88 A V E +PQ 126 151E 25 74,-2.3 74,-2.3 -2,-0.4 2,-0.3 -0.921 22.7 84.1-131.2 156.2 25.2 -25.4 19.5 78 89 A G E -PQ 125 150E 16 47,-2.1 47,-2.3 -2,-0.3 2,-0.3 -1.000 57.1 -63.7 153.9-156.4 23.1 -25.1 16.4 79 90 A N E -PQ 124 149E 24 70,-2.5 70,-2.8 -2,-0.3 2,-0.3 -0.971 17.7-154.0-141.4 153.6 19.6 -24.9 15.0 80 91 A L E -PQ 123 148E 0 43,-1.3 43,-2.2 -2,-0.3 2,-0.6 -0.843 36.3-106.3-115.1 154.6 16.2 -26.7 14.6 81 92 A S E -P 122 0E 0 66,-1.5 10,-0.2 -2,-0.3 2,-0.1 -0.745 40.1-131.1 -79.2 116.7 13.7 -26.2 11.9 82 93 A S + 0 0 0 39,-2.1 346,-0.4 -2,-0.6 2,-0.3 -0.472 33.1 174.7 -70.9 141.5 10.8 -24.3 13.5 83 94 A R E -w 108 0G 16 24,-2.0 27,-1.7 -2,-0.1 26,-1.0 -0.904 41.2 -72.8-136.2 168.0 7.4 -25.7 12.9 84 95 A D E > -w 110 0G 39 -2,-0.3 3,-1.8 25,-0.2 27,-0.2 -0.249 41.6-121.4 -55.9 144.2 3.9 -24.9 14.1 85 96 A E T 3 S+ 0 0 15 25,-2.6 -1,-0.1 1,-0.3 23,-0.1 0.724 116.4 53.1 -62.0 -20.4 3.3 -26.0 17.7 86 97 A A T 3 S+ 0 0 75 24,-0.3 -1,-0.3 699,-0.1 -2,-0.1 0.441 88.3 115.4 -92.8 -1.6 0.5 -28.2 16.3 87 98 A S < - 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