==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/HYDROLASE 21-JUN-04 1TSU . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PRABU-JEYABALAN,E.A.NALIVAIKA,N.M.KING,C.A.SCHIFFER . 206 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 36.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 27 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.4 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 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 RESIDUES PER ALPHA HELIX . 2 2 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 PARALLEL BRIDGES PER LADDER . 3 2 4 1 0 2 0 3 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 . 0 1 1 0 0 0 1 1 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 P 0 0 86 0, 0.0 198,-1.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 154.9 13.3 15.1 2.2 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.985 360.0-166.6-119.8 116.5 17.0 15.1 3.1 3 3 A I E -A 197 0A 30 194,-2.9 194,-2.7 -2,-0.6 2,-0.1 -0.939 8.3-150.3-103.6 118.5 17.6 13.9 6.7 4 4 A T E -A 196 0A 66 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.457 15.0-129.9 -86.0 162.0 21.2 14.6 8.1 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.182 79.3 102.1-101.4 16.8 22.7 12.4 10.7 6 6 A W S S+ 0 0 199 185,-0.1 2,-0.2 184,-0.1 -1,-0.2 0.883 95.2 31.0 -62.3 -36.9 23.9 15.0 13.4 7 7 A K S S- 0 0 68 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.723 112.7 -79.1-114.0 164.6 20.8 14.0 15.4 8 8 A R - 0 0 89 -2,-0.2 2,-2.3 1,-0.1 119,-0.1 -0.514 53.8-112.5 -63.3 130.4 19.0 10.7 15.6 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.376 54.1 170.4 -70.5 61.6 16.9 10.6 12.4 10 10 A L E +D 23 0B 66 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.623 2.7 166.6 -82.1 127.3 13.4 10.8 14.3 11 11 A V E -D 22 0B 14 11,-2.2 11,-3.1 -2,-0.3 2,-0.5 -0.897 37.0 -99.0-135.8 164.5 10.3 11.4 12.2 12 12 A T E -D 21 0B 92 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.744 36.1-175.9 -94.6 126.5 6.6 11.2 12.8 13 13 A I E -DE 20 66B 5 7,-2.8 7,-2.0 -2,-0.5 2,-0.4 -0.874 13.3-145.9-113.7 162.3 4.6 8.2 11.8 14 14 A R E +DE 19 65B 117 51,-1.7 51,-3.0 -2,-0.3 2,-0.4 -0.998 15.0 177.5-131.2 124.6 0.9 7.5 11.9 15 15 A I E > S-D 18 0B 6 3,-2.3 3,-1.8 -2,-0.4 49,-0.1 -0.986 79.4 -24.8-129.0 114.6 -0.7 4.1 12.6 16 16 A G T 3 S- 0 0 73 -2,-0.4 3,-0.1 47,-0.3 -1,-0.1 0.902 124.4 -51.5 45.4 58.5 -4.5 4.1 12.7 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.679 112.0 123.6 50.4 29.1 -4.7 7.7 13.7 18 18 A Q E < -D 15 0B 110 -3,-1.8 -3,-2.3 2,-0.0 2,-0.6 -0.958 51.3-155.6-111.6 112.1 -2.2 7.0 16.6 19 19 A L E +D 14 0B 91 -2,-0.6 2,-0.2 -5,-0.2 -5,-0.2 -0.880 21.9 162.8-102.9 119.9 0.7 9.4 16.0 20 20 A K E -D 13 0B 40 -7,-2.0 -7,-2.8 -2,-0.6 2,-0.6 -0.790 38.5-111.0-127.8 164.1 4.2 8.5 17.3 21 21 A E E -D 12 0B 113 -2,-0.2 62,-0.6 -9,-0.2 2,-0.3 -0.905 39.0-179.1-103.0 126.7 7.9 9.4 16.9 22 22 A A E -Df 11 83B 0 -11,-3.1 -11,-2.2 -2,-0.6 2,-0.4 -0.962 27.0-117.6-133.3 147.7 10.1 6.7 15.3 23 23 A L E -Df 10 84B 2 60,-3.6 62,-2.8 -2,-0.3 2,-1.0 -0.617 22.7-130.1 -82.0 124.0 13.8 6.4 14.3 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.4 62,-0.1 -0.679 37.8-170.5 -73.7 104.4 14.7 5.9 10.6 25 25 A N > + 0 0 0 60,-2.8 3,-2.3 -2,-1.0 62,-0.4 -0.746 30.4 173.2-114.4 90.4 16.9 2.8 11.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.642 85.1 63.6 -65.1 -15.7 19.1 1.5 8.2 27 27 A G T 3 S+ 0 0 0 81,-0.1 177,-1.7 96,-0.1 2,-0.5 0.434 90.8 81.6 -86.6 0.9 20.7 -1.0 10.8 28 28 A A B < -L 203 0C 0 -3,-2.3 59,-2.9 175,-0.3 175,-0.3 -0.893 58.5-165.1-112.0 121.8 17.3 -2.7 11.4 29 29 A D S S+ 0 0 36 173,-1.0 59,-0.7 -2,-0.5 2,-0.2 0.778 81.6 34.7 -66.4 -27.7 16.0 -5.4 9.0 30 30 A D S S- 0 0 20 57,-0.2 2,-0.5 58,-0.1 57,-0.2 -0.748 84.2-113.1-124.6 166.9 12.4 -5.0 10.6 31 31 A T - 0 0 0 43,-0.4 45,-3.1 -2,-0.2 2,-0.4 -0.923 31.5-169.7-107.4 130.4 10.3 -2.2 12.1 32 32 A V E -gH 76 84B 1 52,-1.5 52,-3.7 -2,-0.5 2,-0.3 -0.995 2.7-167.9-131.2 125.9 9.7 -2.5 15.8 33 33 A L E -g 77 0B 2 43,-2.8 45,-2.0 -2,-0.4 3,-0.2 -0.828 27.3-113.1-112.1 140.1 7.2 -0.3 17.7 34 34 A E E S-g 78 0B 110 -2,-0.3 49,-0.0 1,-0.2 -1,-0.0 -0.506 74.5 -41.7 -70.1 152.8 6.8 0.1 21.5 35 35 A E S S+ 0 0 98 43,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.405 77.1 145.3 -22.9 118.3 3.6 -1.4 22.8 36 36 A M - 0 0 21 -3,-0.2 2,-0.9 2,-0.0 -3,-0.1 -0.958 50.3-108.2-149.8 153.5 0.4 -0.6 20.7 37 37 A N - 0 0 140 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.810 38.3-179.7 -93.6 106.8 -2.7 -2.7 20.0 38 38 A L - 0 0 18 -2,-0.9 2,-0.2 2,-0.1 4,-0.0 -0.779 21.0-128.8-101.8 151.6 -2.7 -3.8 16.5 39 39 A P + 0 0 99 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.498 62.2 48.2 -90.0 167.8 -5.5 -5.9 15.1 40 40 A G S S- 0 0 61 -2,-0.2 2,-0.2 19,-0.1 -2,-0.1 -0.182 98.6 -32.5 93.1 172.5 -5.2 -9.2 13.2 41 41 A K - 0 0 102 -2,-0.1 19,-0.7 1,-0.0 2,-0.4 -0.453 59.5-165.8 -68.3 131.5 -3.3 -12.5 13.7 42 42 A W E -I 59 0B 122 -2,-0.2 17,-0.2 17,-0.1 -2,-0.1 -0.993 3.6-158.2-126.7 126.5 0.1 -11.9 15.5 43 43 A K E -I 58 0B 128 15,-1.7 15,-3.2 -2,-0.4 2,-0.1 -0.843 24.5-110.1-108.3 140.1 2.9 -14.5 15.8 44 44 A P E +I 57 0B 80 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.434 42.8 170.5 -66.4 138.0 5.7 -14.6 18.4 45 45 A K E -I 56 0B 60 11,-2.1 11,-2.3 -2,-0.1 2,-0.4 -0.960 27.2-136.5-146.7 156.0 9.2 -13.8 17.1 46 46 A M E -I 55 0B 120 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.958 21.3-176.7-115.0 135.3 12.6 -13.1 18.6 47 47 A I E -I 54 0B 2 7,-1.9 7,-2.6 -2,-0.4 2,-0.3 -0.998 8.0-157.3-131.6 138.0 14.8 -10.2 17.4 48 48 A G E +Ij 53 202B 4 153,-1.9 155,-0.9 -2,-0.4 2,-0.2 -0.756 21.4 148.3-116.0 163.1 18.3 -9.4 18.5 49 49 A G E > -I 52 0B 5 3,-1.8 3,-1.2 -2,-0.3 2,-0.3 -0.723 64.5 -22.3-153.4-154.8 20.7 -6.5 18.7 50 50 A I T 3 S+ 0 0 0 155,-0.5 102,-1.4 -2,-0.2 101,-1.1 -0.516 133.1 20.7 -60.7 122.9 23.5 -5.2 20.9 51 51 A G T 3 S- 0 0 42 128,-0.6 2,-0.3 -2,-0.3 -1,-0.2 0.121 122.2 -81.7 104.1 -27.1 22.8 -6.8 24.4 52 52 A G E < -I 49 0B 25 -3,-1.2 -3,-1.8 100,-0.1 2,-0.3 -0.908 64.7 -25.5 131.7-148.1 20.6 -9.7 23.2 53 53 A F E -I 48 0B 129 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.732 33.7-160.7-111.8 151.1 17.0 -10.6 22.2 54 54 A I E -I 47 0B 19 -7,-2.6 -7,-1.9 -2,-0.3 2,-0.5 -0.938 23.3-123.4-122.4 150.5 13.6 -9.4 22.9 55 55 A K E +I 46 0B 144 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.762 40.7 167.3 -87.6 133.4 10.3 -11.2 22.4 56 56 A V E -I 45 0B 2 -11,-2.3 -11,-2.1 -2,-0.5 2,-0.5 -0.886 35.4-115.5-136.7 169.1 7.9 -9.3 20.1 57 57 A R E -IK 44 77B 44 20,-2.6 20,-2.6 -2,-0.3 2,-0.6 -0.903 26.0-139.0-109.4 134.4 4.7 -10.0 18.3 58 58 A Q E -IK 43 76B 35 -15,-3.2 -15,-1.7 -2,-0.5 2,-0.5 -0.852 17.6-171.4 -98.9 123.7 4.8 -9.9 14.5 59 59 A Y E -IK 42 75B 7 16,-2.6 16,-3.3 -2,-0.6 3,-0.3 -0.947 12.5-147.4-113.3 127.6 1.8 -8.2 12.7 60 60 A D E + 0 0 89 -19,-0.7 14,-0.2 -2,-0.5 13,-0.1 -0.514 67.6 12.1 -91.6 164.1 1.6 -8.5 9.0 61 61 A Q E S+ 0 0 148 1,-0.2 -1,-0.2 -2,-0.2 13,-0.2 0.806 78.1 163.2 34.3 58.2 0.1 -6.0 6.3 62 62 A I E - K 0 73B 11 11,-2.4 11,-1.6 -3,-0.3 2,-0.3 -0.908 37.8-124.7-105.2 120.0 -0.1 -3.0 8.7 63 63 A P E - K 0 72B 85 0, 0.0 2,-0.5 0, 0.0 -47,-0.3 -0.489 29.3-177.1 -71.7 127.9 -0.5 0.5 7.2 64 64 A V E - K 0 71B 3 7,-5.8 7,-2.3 -2,-0.3 2,-0.8 -0.978 16.5-153.7-128.6 117.8 2.2 2.9 8.3 65 65 A E E -EK 14 70B 75 -51,-3.0 -51,-1.7 -2,-0.5 2,-0.7 -0.829 17.3-178.4 -91.3 105.0 2.2 6.6 7.2 66 66 A I E > -EK 13 69B 0 3,-2.3 3,-1.7 -2,-0.8 -53,-0.2 -0.903 69.5 -34.2-102.1 105.3 5.9 7.9 7.3 67 67 A C T 3 S- 0 0 54 -55,-1.6 -1,-0.1 -2,-0.7 3,-0.1 0.890 125.1 -41.5 49.4 51.0 6.2 11.6 6.4 68 68 A G T 3 S+ 0 0 63 1,-0.3 2,-0.4 -3,-0.0 -1,-0.2 0.221 114.7 117.9 84.3 -14.7 3.3 11.6 3.7 69 69 A H E < - K 0 66B 69 -3,-1.7 -3,-2.3 1,-0.0 2,-0.6 -0.751 65.2-130.3 -94.8 129.6 4.4 8.2 2.3 70 70 A K E - K 0 65B 93 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.726 30.0-173.7 -82.7 111.9 2.0 5.3 2.5 71 71 A A E + K 0 64B 3 -7,-2.3 -7,-5.8 -2,-0.6 2,-0.4 -0.947 9.2 178.3-112.9 138.8 3.8 2.3 3.9 72 72 A I E + K 0 63B 73 -2,-0.5 2,-0.3 -9,-0.3 -11,-0.1 -0.874 31.9 81.1-142.2 110.1 2.3 -1.2 4.2 73 73 A G E S- K 0 62B 8 -11,-1.6 -11,-2.4 -2,-0.4 2,-0.2 -0.885 74.0 -18.6-170.3-154.2 4.1 -4.2 5.6 74 74 A T E - 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