==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN,HYDROLASE 23-DEC-09 3L6P . COMPND 2 MOLECULE: FUSION PROTEIN OF NONSTRUCTURAL PROTEIN 2B AND . SOURCE 2 ORGANISM_SCIENTIFIC: DENGUE VIRUS 1; . AUTHOR S.CHANDRAMOULI,J.S.JOSEPH,S.DAUDENARDE,J.GATCHALIAN, . 192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 23 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 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 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 3 5 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 2 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 3 A H 0 0 232 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.0 -20.1 -39.1 42.5 2 4 A M + 0 0 53 84,-0.1 83,-0.0 3,-0.0 0, 0.0 0.283 360.0 43.6-112.4-140.7 -19.6 -36.2 42.7 3 5 A A + 0 0 34 -2,-0.1 84,-0.1 1,-0.1 85,-0.0 0.938 61.0 153.1 57.8 43.8 -17.5 -33.9 40.8 4 6 A D + 0 0 79 82,-0.1 53,-1.1 52,-0.1 2,-0.4 0.518 49.1 73.0 -78.6 -7.8 -18.6 -35.4 37.5 5 7 A L E +Ab 56 87A 6 81,-0.5 83,-2.2 51,-0.2 2,-0.3 -0.908 54.8 171.7-114.1 140.6 -18.0 -32.2 35.5 6 8 A S E -Ab 55 88A 26 49,-2.0 49,-3.0 -2,-0.4 2,-0.3 -0.939 22.5-124.2-140.1 161.9 -14.7 -30.7 34.4 7 9 A L E -A 54 0A 10 81,-1.8 2,-0.4 -2,-0.3 83,-0.3 -0.822 16.9-176.2-113.2 148.6 -13.5 -27.9 32.2 8 10 A E E -A 53 0A 85 45,-1.6 45,-2.9 -2,-0.3 -2,-0.0 -0.983 29.8-117.3-139.9 127.6 -11.2 -27.7 29.3 9 11 A K E +A 52 0A 62 -2,-0.4 43,-0.3 43,-0.3 3,-0.1 -0.329 35.5 164.9 -65.8 142.7 -10.2 -24.5 27.5 10 12 A A E - 0 0 29 41,-3.5 2,-0.3 1,-0.4 42,-0.2 0.578 53.9 -14.7-128.7 -25.7 -11.1 -24.2 23.9 11 13 A A E -A 51 0A 21 40,-1.4 40,-2.9 123,-0.1 -1,-0.4 -0.984 54.5-107.6-166.1 172.4 -10.8 -20.6 22.6 12 14 A E - 0 0 116 -2,-0.3 2,-0.5 38,-0.2 38,-0.1 -0.787 42.2-102.9-108.4 159.9 -10.5 -16.9 23.4 13 15 A V + 0 0 41 -2,-0.3 2,-0.3 158,-0.0 160,-0.0 -0.714 57.7 126.7 -89.2 124.3 -13.2 -14.4 22.9 14 16 A S - 0 0 46 -2,-0.5 2,-0.4 111,-0.0 153,-0.1 -0.952 55.8-109.7-165.2 158.4 -13.1 -12.1 20.0 15 17 A W - 0 0 41 -2,-0.3 2,-0.6 154,-0.2 153,-0.1 -0.759 33.2-147.5 -83.3 132.8 -15.1 -10.8 17.0 16 18 A E > - 0 0 103 -2,-0.4 3,-1.2 4,-0.1 2,-0.2 -0.926 6.0-142.2-105.7 113.0 -13.7 -12.1 13.8 17 19 A E T 3 S+ 0 0 61 -2,-0.6 152,-0.0 1,-0.3 0, 0.0 -0.477 93.6 26.1 -64.5 137.6 -14.0 -9.6 10.9 18 20 A E T 3 S+ 0 0 107 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.896 87.8 153.5 75.6 24.7 -14.7 -11.8 7.9 19 21 A A < - 0 0 14 -3,-1.2 -1,-0.2 1,-0.1 119,-0.1 -0.537 56.2 -82.7 -76.0 158.1 -16.3 -14.6 9.9 20 22 A E E -h 138 0B 120 117,-0.7 119,-2.8 -2,-0.2 2,-0.4 -0.404 42.8-141.6 -63.6 138.1 -18.9 -16.7 8.2 21 23 A H E +h 139 0B 84 117,-0.2 2,-0.4 -2,-0.1 119,-0.2 -0.811 22.4 177.4 -96.9 140.7 -22.4 -15.3 8.1 22 24 A S + 0 0 51 117,-2.7 119,-0.3 -2,-0.4 2,-0.2 -0.998 26.3 76.1-145.1 148.2 -25.4 -17.5 8.6 23 25 A G S S- 0 0 37 -2,-0.4 132,-0.1 117,-0.1 -2,-0.0 -0.644 79.9 -79.9 140.5 163.6 -29.1 -16.9 8.7 24 26 A A S S+ 0 0 115 -2,-0.2 2,-0.3 130,-0.2 -1,-0.1 0.765 105.8 11.1 -60.1 -32.8 -32.2 -16.1 6.7 25 27 A S - 0 0 66 116,-0.1 116,-0.4 -3,-0.1 2,-0.4 -0.927 64.1-129.7-148.3 163.3 -31.3 -12.4 6.4 26 28 A H - 0 0 100 -2,-0.3 2,-0.5 114,-0.1 -3,-0.0 -0.952 8.8-149.0-120.9 143.3 -28.7 -9.6 6.9 27 29 A N - 0 0 69 -2,-0.4 2,-0.5 2,-0.0 96,-0.2 -0.975 23.7-179.0-109.5 116.2 -29.0 -6.3 8.7 28 30 A I - 0 0 114 -2,-0.5 2,-0.6 94,-0.1 94,-0.0 -0.976 20.1-144.5-127.0 120.5 -26.7 -3.8 7.1 29 31 A L - 0 0 162 -2,-0.5 2,-0.4 92,-0.0 -2,-0.0 -0.787 20.1-162.8 -86.3 120.7 -26.2 -0.2 8.2 30 32 A V - 0 0 63 -2,-0.6 2,-0.6 10,-0.2 10,-0.2 -0.889 10.7-150.6-113.0 129.2 -25.7 2.2 5.3 31 33 A E E -O 39 0C 107 8,-3.0 8,-3.0 -2,-0.4 2,-0.5 -0.891 15.7-167.5 -95.0 119.2 -24.3 5.7 5.5 32 34 A V E -O 38 0C 91 -2,-0.6 2,-0.3 6,-0.2 6,-0.2 -0.921 2.0-161.6-103.5 131.6 -25.6 8.0 2.8 33 35 A Q > - 0 0 73 4,-3.0 3,-1.6 -2,-0.5 4,-0.1 -0.865 27.8-124.1-110.3 149.8 -24.0 11.4 2.1 34 36 A D T 3 S+ 0 0 172 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.755 106.7 69.5 -54.0 -29.5 -25.4 14.4 0.3 35 37 A D T 3 S- 0 0 123 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.303 122.7 -98.5 -78.9 13.7 -22.4 14.4 -2.1 36 38 A G S < S+ 0 0 72 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.445 82.0 130.9 89.6 1.5 -23.7 11.1 -3.7 37 39 A T - 0 0 63 -4,-0.1 -4,-3.0 2,-0.0 2,-0.4 -0.665 36.3-167.8 -92.3 142.8 -21.5 8.7 -1.8 38 40 A M E -O 32 0C 134 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -1.000 8.5-171.5-130.4 128.7 -22.9 5.7 -0.1 39 41 A K E O 31 0C 105 -8,-3.0 -8,-3.0 -2,-0.4 -2,-0.0 -0.940 360.0 360.0-125.4 137.3 -20.8 3.8 2.4 40 42 A I 0 0 159 -2,-0.4 -10,-0.2 -10,-0.2 -2,-0.0 -0.874 360.0 360.0 -83.4 360.0 -21.3 0.5 4.1 41 ! 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 42 63 A V 0 0 153 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.6 2.6 -10.9 34.9 43 64 A L - 0 0 175 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.731 360.0-146.7 -78.2 120.3 1.0 -14.2 35.4 44 65 A W - 0 0 186 -2,-0.6 2,-1.4 2,-0.1 4,-0.0 -0.669 15.5-125.3 -81.4 149.3 -2.3 -13.8 37.4 45 66 A D S S+ 0 0 162 -2,-0.3 -1,-0.0 2,-0.0 -2,-0.0 -0.621 78.5 97.4 -89.5 68.7 -3.4 -16.5 39.8 46 67 A T S S- 0 0 60 -2,-1.4 -2,-0.1 28,-0.0 2,-0.1 -0.962 88.9 -80.5-149.6 158.8 -6.8 -16.8 38.2 47 68 A P - 0 0 32 0, 0.0 26,-0.4 0, 0.0 27,-0.1 -0.434 61.6 -98.7 -63.0 138.9 -8.3 -19.2 35.7 48 69 A S - 0 0 56 1,-0.1 22,-0.2 24,-0.1 -3,-0.0 -0.416 41.3-110.1 -64.0 125.0 -7.2 -18.1 32.2 49 70 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.284 71.7 85.2 -56.0 135.2 -9.9 -16.0 30.5 50 71 A G E S- C 0 70A 1 20,-1.3 20,-2.0 -38,-0.1 2,-0.5 -0.985 77.6 -53.3 163.5-169.8 -11.5 -17.9 27.6 51 72 A I E -AC 11 69A 0 -40,-2.9 -41,-3.5 -2,-0.3 -40,-1.4 -0.885 49.7-169.7-105.3 132.7 -14.1 -20.3 26.4 52 73 A Y E -AC 9 68A 0 16,-2.7 16,-2.2 -2,-0.5 -43,-0.3 -0.950 21.3-125.7-128.1 146.9 -14.2 -23.7 28.0 53 74 A R E -AC 8 67A 27 -45,-2.9 -45,-1.6 -2,-0.3 2,-0.6 -0.601 21.0-140.3 -86.6 142.0 -16.0 -27.0 27.3 54 75 A I E -AC 7 66A 0 12,-3.1 11,-1.9 106,-0.3 12,-1.1 -0.959 28.2-166.1-106.7 126.4 -17.9 -28.4 30.1 55 76 A L E -AC 6 64A 16 -49,-3.0 -49,-2.0 -2,-0.6 2,-0.4 -0.876 18.6-162.0-126.9 139.5 -17.4 -32.2 30.2 56 77 A Q E -AC 5 63A 79 7,-3.1 7,-3.0 -2,-0.4 2,-0.5 -0.965 29.1-119.6-117.1 132.2 -19.0 -35.1 31.8 57 78 A R E + C 0 62A 182 -53,-1.1 5,-0.2 -2,-0.4 2,-0.1 -0.631 47.0 164.3 -76.0 118.3 -17.2 -38.5 32.2 58 79 A G - 0 0 41 3,-1.1 3,-0.3 -2,-0.5 4,-0.1 -0.326 50.7 -88.7-116.2-161.8 -19.4 -41.1 30.3 59 80 A L S S+ 0 0 186 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.807 123.7 42.9 -86.2 -32.5 -18.9 -44.7 29.0 60 81 A L S S- 0 0 183 1,-0.5 2,-0.2 0, 0.0 -1,-0.2 0.270 131.6 -76.9 -89.8 10.7 -17.6 -43.8 25.5 61 82 A G S S- 0 0 38 -3,-0.3 -3,-1.1 2,-0.0 -1,-0.5 -0.684 79.5 -27.2 112.8 179.3 -15.4 -41.1 27.0 62 83 A R E -C 57 0A 116 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.3 -0.530 61.0-154.9 -74.5 121.0 -16.0 -37.5 28.2 63 84 A S E -C 56 0A 63 -7,-3.0 -7,-3.1 -2,-0.4 2,-0.6 -0.822 16.0-121.9-101.8 147.8 -19.0 -36.0 26.6 64 85 A Q E +C 55 0A 22 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.699 29.4 174.6 -80.8 116.0 -19.5 -32.2 26.3 65 86 A V E - 0 0 46 -11,-1.9 95,-0.3 -2,-0.6 2,-0.3 0.508 64.7 -32.7 -99.0 -6.4 -22.8 -31.1 28.0 66 87 A G E -C 54 0A 0 -12,-1.1 -12,-3.1 94,-0.2 2,-0.3 -0.976 57.5-109.0 174.1-173.7 -22.3 -27.4 27.5 67 88 A V E +C 53 0A 0 95,-2.2 11,-0.4 -2,-0.3 2,-0.3 -0.919 26.6 176.4-135.8 152.6 -19.8 -24.4 27.2 68 89 A G E -C 52 0A 0 -16,-2.2 -16,-2.7 -2,-0.3 2,-0.4 -0.933 21.0-122.8-152.3-174.9 -18.9 -21.4 29.4 69 90 A V E -CD 51 76A 0 7,-2.0 7,-2.4 -2,-0.3 2,-0.5 -0.987 7.2-146.5-134.8 123.7 -16.6 -18.5 29.7 70 91 A F E +CD 50 75A 5 -20,-2.0 -20,-1.3 -2,-0.4 2,-0.3 -0.787 28.2 167.6 -80.0 130.8 -14.1 -17.3 32.3 71 92 A Q E > - D 0 74A 50 3,-2.7 3,-2.3 -2,-0.5 42,-0.1 -0.981 68.4 -10.1-142.8 130.4 -13.9 -13.5 32.5 72 93 A E T 3 S- 0 0 129 -2,-0.3 3,-0.1 1,-0.3 -24,-0.1 0.884 131.1 -53.0 48.5 44.6 -12.2 -11.6 35.4 73 94 A G T 3 S+ 0 0 22 -26,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.451 116.3 114.4 78.1 2.3 -11.9 -14.9 37.3 74 95 A V E < -D 71 0A 0 -3,-2.3 -3,-2.7 -27,-0.1 2,-0.5 -0.892 57.8-144.0-110.2 132.4 -15.6 -15.7 37.0 75 96 A F E -DE 70 108A 0 33,-2.6 33,-2.3 -2,-0.5 2,-0.5 -0.844 17.4-167.4 -96.0 125.2 -16.9 -18.7 35.1 76 97 A H E +DE 69 107A 0 -7,-2.4 -7,-2.0 -2,-0.5 31,-0.2 -0.957 21.8 137.9-115.3 126.8 -20.2 -18.0 33.3 77 98 A T E - E 0 106A 0 29,-2.6 29,-2.4 -2,-0.5 2,-0.4 -0.679 52.0 -67.4-146.4-165.8 -22.4 -20.8 31.8 78 99 A M E >> - E 0 105A 0 -11,-0.4 4,-1.3 27,-0.3 3,-0.9 -0.775 30.7-132.5 -95.4 141.2 -26.1 -21.8 31.5 79 100 A W H 3> S+ 0 0 47 25,-0.7 4,-2.4 -2,-0.4 26,-0.1 0.823 106.3 54.6 -60.0 -39.7 -28.2 -23.0 34.4 80 101 A H H 34 S+ 0 0 62 24,-0.3 -1,-0.2 1,-0.2 25,-0.1 0.693 101.2 60.1 -70.1 -18.8 -29.5 -26.0 32.5 81 102 A V H <4 S+ 0 0 18 -3,-0.9 -2,-0.2 -14,-0.1 -1,-0.2 0.938 128.7 4.7 -75.1 -47.7 -26.0 -27.3 31.7 82 103 A T H >< S- 0 0 9 -4,-1.3 3,-1.9 3,-0.0 -2,-0.2 0.678 73.6-148.8-111.1 -22.1 -24.9 -27.7 35.4 83 104 A R T 3< S- 0 0 169 -4,-2.4 -3,-0.1 -5,-0.3 -4,-0.1 0.824 81.3 -49.7 49.5 38.4 -27.8 -26.9 37.7 84 105 A G T 3 S+ 0 0 24 1,-0.2 -1,-0.3 -5,-0.1 3,-0.1 0.537 95.4 156.6 85.2 6.2 -25.4 -25.6 40.3 85 106 A A < - 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