==== 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 28-JAN-10 3LKW . 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, . 211 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 55.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 25 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 6 1 2 1 0 0 1 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 1 0 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 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 0 209 0, 0.0 85,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.4 -23.1 -35.9 42.2 2 4 A M - 0 0 72 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.896 360.0 -80.4 91.7 52.7 -19.4 -36.9 42.4 3 5 A A S S+ 0 0 39 1,-0.2 -1,-0.1 85,-0.0 86,-0.1 0.748 75.8 160.0 20.4 53.4 -17.6 -34.0 40.8 4 6 A D + 0 0 54 53,-0.1 54,-1.4 83,-0.1 2,-0.4 0.535 46.1 80.1 -76.2 -9.2 -18.6 -35.6 37.4 5 7 A L E +A 57 0A 6 82,-0.5 84,-2.5 52,-0.2 2,-0.3 -0.884 54.5 170.7-104.8 137.4 -18.1 -32.3 35.5 6 8 A S E -Ab 56 89A 23 50,-2.0 50,-2.8 -2,-0.4 2,-0.3 -0.901 22.2-128.1-138.4 163.6 -14.7 -30.9 34.4 7 9 A L E -A 55 0A 10 82,-1.7 2,-0.4 -2,-0.3 84,-0.3 -0.873 15.8-174.4-117.8 148.3 -13.6 -28.0 32.2 8 10 A E E -A 54 0A 90 46,-1.7 46,-2.8 -2,-0.3 82,-0.0 -0.968 28.2-118.9-143.9 126.8 -11.3 -27.8 29.3 9 11 A K E +A 53 0A 64 -2,-0.4 44,-0.3 44,-0.2 3,-0.1 -0.290 36.5 162.8 -66.0 141.1 -10.1 -24.7 27.5 10 12 A A E - 0 0 30 42,-2.9 2,-0.3 1,-0.4 43,-0.2 0.572 54.4 -16.1-129.9 -26.9 -11.0 -24.5 23.8 11 13 A A E -A 52 0A 20 41,-1.5 41,-3.1 124,-0.1 -1,-0.4 -0.985 55.5-104.5-169.5 170.2 -10.7 -20.9 22.6 12 14 A E - 0 0 131 -2,-0.3 2,-0.5 39,-0.2 39,-0.1 -0.764 41.3-106.1-109.7 157.2 -10.4 -17.1 23.3 13 15 A V + 0 0 42 -2,-0.3 2,-0.3 161,-0.0 163,-0.0 -0.745 58.0 129.6 -86.0 126.5 -13.2 -14.6 22.9 14 16 A S - 0 0 47 -2,-0.5 2,-0.3 161,-0.0 156,-0.1 -0.955 55.4-108.3-164.9 156.1 -13.0 -12.2 19.9 15 17 A W - 0 0 33 -2,-0.3 2,-0.5 157,-0.2 156,-0.1 -0.650 32.5-144.1 -75.6 144.0 -14.9 -10.8 16.9 16 18 A E > - 0 0 97 -2,-0.3 2,-1.8 0, 0.0 3,-1.2 -0.963 3.6-144.8-118.2 113.5 -13.7 -12.2 13.6 17 19 A E T 3 S+ 0 0 121 -2,-0.5 -2,-0.0 1,-0.2 155,-0.0 -0.547 95.1 22.9 -77.8 82.2 -13.8 -9.7 10.7 18 20 A E T 3 S+ 0 0 167 -2,-1.8 -1,-0.2 1,-0.1 3,-0.1 0.148 83.9 148.2 146.8 -16.1 -14.7 -12.2 7.9 19 21 A A < - 0 0 17 -3,-1.2 -1,-0.1 1,-0.1 120,-0.1 0.036 61.2 -82.0 -42.6 153.0 -16.3 -15.1 9.9 20 22 A E E -h 139 0B 129 118,-0.6 120,-3.0 1,-0.1 2,-0.4 -0.308 41.8-139.0 -59.3 141.5 -19.0 -16.9 8.0 21 23 A H E -h 140 0B 85 118,-0.2 2,-0.4 -3,-0.1 120,-0.2 -0.820 23.2-177.1 -95.2 145.4 -22.5 -15.3 8.1 22 24 A S + 0 0 51 118,-2.8 120,-0.3 -2,-0.4 2,-0.2 -0.997 29.1 75.4-145.7 144.8 -25.5 -17.6 8.5 23 25 A G S S- 0 0 39 -2,-0.4 135,-0.1 118,-0.1 -2,-0.0 -0.620 83.1 -82.9 140.3 159.9 -29.2 -17.0 8.6 24 26 A A S S+ 0 0 116 -2,-0.2 2,-0.3 133,-0.2 -1,-0.1 0.590 107.4 15.7 -66.2 -6.7 -32.2 -16.2 6.2 25 27 A S - 0 0 73 117,-0.1 117,-0.5 -3,-0.1 2,-0.3 -0.995 62.4-134.0-171.0 164.6 -31.2 -12.5 6.2 26 28 A H - 0 0 94 -2,-0.3 2,-0.5 115,-0.1 -3,-0.0 -0.883 9.5-146.0-133.0 142.0 -28.7 -9.7 6.9 27 29 A N - 0 0 69 -2,-0.3 2,-0.4 2,-0.0 97,-0.2 -0.986 23.8-179.9-116.5 119.9 -28.9 -6.3 8.6 28 30 A I - 0 0 113 -2,-0.5 2,-0.6 95,-0.1 95,-0.0 -0.983 21.5-141.2-130.1 122.5 -26.6 -3.8 7.0 29 31 A L - 0 0 123 -2,-0.4 12,-2.4 12,-0.2 2,-0.4 -0.780 21.6-165.7 -87.4 122.9 -26.2 -0.2 8.2 30 32 A V E -M 40 0C 67 -2,-0.6 2,-0.6 10,-0.2 10,-0.2 -0.902 8.8-152.9-110.9 135.9 -25.8 2.2 5.2 31 33 A E E -M 39 0C 64 8,-2.9 8,-2.5 -2,-0.4 2,-0.5 -0.941 11.0-166.4-108.0 122.7 -24.6 5.8 5.5 32 34 A V E -M 38 0C 100 -2,-0.6 2,-0.3 6,-0.2 6,-0.2 -0.908 6.8-158.8-105.0 132.9 -25.8 8.2 2.8 33 35 A Q > - 0 0 65 4,-2.9 3,-1.7 -2,-0.5 -2,-0.0 -0.836 29.6-121.5-108.9 152.4 -24.2 11.6 2.3 34 36 A D T 3 S+ 0 0 165 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.891 110.7 66.7 -39.8 -49.2 -25.2 14.9 0.7 35 37 A D T 3 S- 0 0 110 1,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.551 122.2-104.2 -62.2 -3.2 -22.1 14.7 -1.6 36 38 A G S < S+ 0 0 68 -3,-1.7 2,-0.3 1,-0.3 -1,-0.1 0.482 77.6 135.6 93.1 3.5 -23.7 11.6 -3.2 37 39 A T - 0 0 56 2,-0.0 -4,-2.9 -4,-0.0 2,-0.4 -0.601 35.8-165.4 -81.7 141.5 -21.5 9.0 -1.5 38 40 A M E -M 32 0C 129 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.995 13.2-177.1-124.2 136.0 -23.1 5.9 -0.1 39 41 A K E -M 31 0C 104 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.5 -0.980 32.5-123.0-132.6 140.5 -21.0 3.8 2.3 40 42 A I E M 30 0C 126 -2,-0.4 -10,-0.2 -10,-0.2 -2,-0.0 -0.771 360.0 360.0 -73.5 125.2 -21.4 0.6 4.2 41 43 A K 0 0 156 -12,-2.4 -12,-0.2 -2,-0.5 -1,-0.0 -0.403 360.0 360.0 -79.4 360.0 -20.8 1.7 7.9 42 ! 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 43 63 A V 0 0 155 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.1 2.6 -11.0 34.5 44 64 A L - 0 0 177 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.828 360.0-145.3 -86.6 125.3 0.9 -14.4 35.1 45 65 A W - 0 0 183 -2,-0.5 2,-1.8 2,-0.1 4,-0.0 -0.686 15.7-125.3 -90.5 144.1 -2.3 -13.9 37.2 46 66 A D S S+ 0 0 175 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 -0.568 81.0 97.6 -81.7 69.5 -3.4 -16.5 39.7 47 67 A T S S- 0 0 66 -2,-1.8 -2,-0.1 3,-0.0 26,-0.1 -0.980 88.3 -82.8-158.3 145.0 -6.8 -16.7 38.1 48 68 A P - 0 0 39 0, 0.0 26,-0.3 0, 0.0 27,-0.1 -0.260 60.5 -93.6 -54.3 138.3 -8.2 -19.2 35.5 49 69 A S - 0 0 50 1,-0.1 22,-0.2 24,-0.1 -3,-0.0 -0.335 44.7-113.3 -60.0 130.6 -7.2 -18.3 32.1 50 70 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.360 69.9 68.0 -63.3 138.0 -9.8 -16.2 30.4 51 71 A G E S- C 0 71A 3 20,-1.8 20,-1.9 -39,-0.1 2,-0.4 -0.994 81.7 -36.4 156.9-155.0 -11.7 -17.8 27.5 52 72 A I E -AC 11 70A 0 -41,-3.1 -42,-2.9 -2,-0.3 -41,-1.5 -0.923 49.8-172.2-112.2 132.9 -14.1 -20.4 26.3 53 73 A Y E -AC 9 69A 0 16,-3.0 16,-2.1 -2,-0.4 2,-0.3 -0.922 21.9-126.8-126.2 144.8 -14.2 -23.9 27.9 54 74 A R E -AC 8 68A 32 -46,-2.8 -46,-1.7 -2,-0.3 2,-0.5 -0.697 21.7-138.9 -84.7 143.6 -16.0 -27.2 27.2 55 75 A I E -AC 7 67A 0 12,-3.1 11,-2.3 -2,-0.3 12,-1.3 -0.939 26.4-165.6-105.6 126.7 -18.0 -28.6 30.1 56 76 A L E -AC 6 65A 13 -50,-2.8 -50,-2.0 -2,-0.5 2,-0.5 -0.884 16.7-158.9-127.2 135.3 -17.4 -32.4 30.1 57 77 A Q E -AC 5 64A 86 7,-2.8 7,-3.0 -2,-0.4 2,-0.5 -0.947 19.6-138.1-114.3 132.2 -19.2 -35.2 31.9 58 78 A R E + C 0 63A 161 -54,-1.4 5,-0.2 -2,-0.5 2,-0.2 -0.776 40.0 138.9 -93.4 121.9 -17.3 -38.4 32.4 59 79 A G E > - C 0 62A 44 3,-2.8 3,-0.8 -2,-0.5 0, 0.0 -0.591 68.5 -61.8-127.7-148.0 -19.1 -41.7 31.9 60 80 A L T 3 S+ 0 0 181 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.764 128.4 54.1 -70.3 -28.4 -18.4 -45.0 30.3 61 81 A L T 3 S- 0 0 184 1,-0.3 2,-0.4 3,-0.0 -1,-0.2 0.519 119.0-104.1 -88.3 3.6 -17.9 -43.6 26.8 62 82 A G E < S-C 59 0A 27 -3,-0.8 -3,-2.8 2,-0.0 2,-0.6 -0.927 73.6 -15.4 110.4-139.9 -15.2 -41.2 28.0 63 83 A R E -C 58 0A 115 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.881 61.5-164.4-107.6 119.7 -15.9 -37.5 28.4 64 84 A S E -C 57 0A 75 -7,-3.0 -7,-2.8 -2,-0.6 2,-0.7 -0.863 21.9-122.4-102.0 143.6 -19.0 -36.2 26.8 65 85 A Q E +C 56 0A 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.711 31.5 172.7 -87.2 115.2 -19.5 -32.4 26.2 66 86 A V E - 0 0 45 -11,-2.3 97,-0.3 -2,-0.7 2,-0.3 0.605 62.6 -32.8 -95.8 -11.7 -22.7 -31.2 27.9 67 87 A G E -C 55 0A 0 -12,-1.3 -12,-3.1 95,-0.1 2,-0.3 -0.968 56.1-109.8 178.2-168.9 -22.2 -27.4 27.4 68 88 A V E +C 54 0A 0 97,-2.2 11,-0.4 -2,-0.3 2,-0.3 -0.950 26.6 179.4-142.6 148.5 -19.7 -24.5 27.1 69 89 A G E -C 53 0A 0 -16,-2.1 -16,-3.0 -2,-0.3 2,-0.4 -0.936 20.6-120.8-145.5-174.5 -18.9 -21.6 29.4 70 90 A V E -CD 52 77A 0 7,-2.1 7,-2.4 -2,-0.3 2,-0.5 -0.987 6.6-148.0-134.8 125.0 -16.6 -18.5 29.6 71 91 A F E +CD 51 76A 6 -20,-1.9 -20,-1.8 -2,-0.4 2,-0.3 -0.832 29.4 161.6 -82.5 128.8 -14.0 -17.4 32.1 72 92 A Q E > - D 0 75A 52 3,-2.0 3,-1.8 -2,-0.5 42,-0.1 -0.935 69.7 -10.3-148.7 122.7 -13.8 -13.6 32.4 73 93 A E T 3 S- 0 0 122 -2,-0.3 3,-0.1 1,-0.3 -24,-0.1 0.825 128.8 -53.9 54.1 37.4 -12.2 -11.9 35.4 74 94 A G T 3 S+ 0 0 22 -26,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.501 115.0 111.8 85.1 1.0 -11.9 -15.1 37.3 75 95 A V E < -D 72 0A 8 -3,-1.8 -3,-2.0 -27,-0.1 2,-0.5 -0.915 58.9-142.7-116.8 135.0 -15.6 -15.9 37.0 76 96 A F E -DE 71 109A 0 33,-2.3 33,-2.1 -2,-0.4 2,-0.5 -0.834 18.8-165.9 -95.7 124.8 -16.9 -18.9 35.0 77 97 A H E +DE 70 108A 0 -7,-2.4 -7,-2.1 -2,-0.5 2,-0.2 -0.970 23.9 135.0-113.6 125.3 -20.2 -18.1 33.1 78 98 A T E - E 0 107A 0 29,-2.6 29,-2.2 -2,-0.5 2,-0.4 -0.746 52.9 -66.0-146.6-162.1 -22.5 -20.8 31.6 79 99 A M >> - 0 0 0 -11,-0.4 4,-1.4 27,-0.2 3,-0.6 -0.768 29.3-133.9 -97.6 144.6 -26.2 -21.9 31.4 80 100 A W H 3> S+ 0 0 43 -2,-0.4 4,-3.0 21,-0.3 5,-0.1 0.875 106.6 54.6 -57.6 -44.4 -28.3 -23.0 34.3 81 101 A H H 34 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.2 25,-0.1 0.746 103.1 58.3 -68.5 -22.7 -29.6 -26.0 32.3 82 102 A V H <4 S+ 0 0 19 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.938 129.1 5.0 -70.8 -44.3 -26.1 -27.2 31.6 83 103 A T H >< S- 0 0 9 -4,-1.4 3,-1.8 -3,-0.1 -2,-0.2 0.714 73.2-149.2-115.3 -19.0 -24.9 -27.6 35.2 84 104 A R T 3< S- 0 0 168 -4,-3.0 -4,-0.1 -5,-0.3 -3,-0.1 0.826 80.6 -52.8 40.6 39.6 -27.9 -26.9 37.5 85 105 A G T 3 S+ 0 0 22 1,-0.2 -1,-0.2 -5,-0.1 3,-0.1 0.629 93.1 159.7 83.1 12.7 -25.3 -25.6 40.0 86 106 A A < - 0 0 31 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.0 -0.394 49.5-100.4 -66.2 144.6 -23.0 -28.8 39.9 87 107 A V - 0 0 24 9,-0.1 -82,-0.5 10,-0.0 2,-0.4 -0.374 37.5-142.7 -56.0 144.6 -19.5 -28.3 41.2 88 108 A L E - F 0 95A 0 7,-2.1 7,-2.5 -84,-0.1 2,-0.6 -0.963 3.6-139.3-116.3 128.3 -17.1 -27.9 38.3 89 109 A M E +bF 6 94A 42 -84,-2.5 -82,-1.7 -2,-0.4 2,-0.4 -0.778 26.4 168.4 -86.5 123.4 -13.5 -29.4 38.4 90 110 A Y E > S- F 0 93A 37 3,-2.6 3,-2.3 -2,-0.6 -82,-0.1 -0.963 72.4 -17.7-133.0 126.7 -10.8 -27.3 37.0 91 111 A Q T 3 S- 0 0 145 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.908 126.7 -55.5 47.5 49.0 -7.0 -28.2 37.5 92 112 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.369 115.1 121.8 66.1 -4.6 -8.0 -30.5 40.3 93 113 A K E < -F 90 0A 144 -3,-2.3 -3,-2.6 1,-0.0 2,-0.4 -0.749 63.1-125.7 -89.2 138.5 -9.8 -27.5 42.1 94 114 A R E -F 89 0A 144 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.626 20.2-157.4 -75.6 123.3 -13.6 -27.5 43.0 95 115 A L E -F 88 0A 35 -7,-2.5 -7,-2.1 -2,-0.4 -1,-0.0 -0.947 9.6-156.8-104.6 123.8 -15.5 -24.5 41.5 96 116 A E - 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