==== 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 HYDROLASE/VIRAL PROTEIN 21-JUN-04 1TSQ . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PRABU-JEYABALAN,E.A.NALIVAIKA,N.M.KING,C.A.SCHIFFER . 208 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 36.1 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 . 24 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 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 RESIDUES PER ALPHA HELIX . 2 3 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 PARALLEL BRIDGES PER LADDER . 3 1 4 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 74 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.0 11.7 14.9 29.2 2 2 A Q E -A 198 0A 123 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.952 360.0-161.0-112.9 121.8 8.1 14.7 28.1 3 3 A I E -A 197 0A 36 194,-2.6 194,-2.6 -2,-0.5 2,-0.1 -0.897 5.4-152.8-105.7 120.1 7.4 13.7 24.5 4 4 A T E -A 196 0A 65 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.392 15.7-130.9 -82.3 167.2 4.0 14.5 23.0 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.128 76.1 107.1-110.1 24.4 2.6 12.4 20.2 6 6 A W S S+ 0 0 200 185,-0.1 2,-0.2 184,-0.1 -1,-0.2 0.882 94.7 20.8 -63.4 -38.2 1.6 15.1 17.7 7 7 A K S S- 0 0 155 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.757 112.9 -68.2-123.0 169.3 4.6 14.0 15.6 8 8 A R - 0 0 86 -2,-0.2 2,-2.1 1,-0.1 119,-0.1 -0.386 52.9-117.3 -59.4 132.7 6.6 10.8 15.5 9 9 A P + 0 0 1 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.502 50.9 166.4 -75.7 78.5 8.5 10.6 18.9 10 10 A L E +D 23 0B 91 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.793 6.6 172.6 -96.6 137.7 12.0 10.7 17.4 11 11 A V E -D 22 0B 11 11,-2.3 11,-2.4 -2,-0.4 2,-0.4 -0.919 36.0 -98.4-137.6 164.4 15.0 11.3 19.6 12 12 A T E -D 21 0B 64 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.681 41.2-176.4 -86.8 137.0 18.8 11.2 19.3 13 13 A I E -DE 20 66B 2 7,-2.8 7,-2.2 -2,-0.4 2,-0.5 -0.941 19.8-139.4-131.4 154.4 20.5 8.1 20.4 14 14 A R E +DE 19 65B 135 51,-2.4 51,-2.8 -2,-0.3 2,-0.3 -0.967 32.6 156.5-116.7 125.2 24.2 7.1 20.6 15 15 A I E > -DE 18 64B 2 3,-2.7 3,-1.4 -2,-0.5 49,-0.1 -0.986 64.2 -4.3-150.3 139.3 25.2 3.6 19.6 16 16 A G T 3 S- 0 0 55 47,-0.7 3,-0.1 -2,-0.3 2,-0.1 0.784 127.6 -60.1 51.0 28.2 28.4 1.9 18.4 17 17 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 -0.155 116.2 108.3 95.1 -38.7 29.9 5.4 18.5 18 18 A Q E < -D 15 0B 107 -3,-1.4 -3,-2.7 -4,-0.1 2,-0.5 -0.307 61.4-136.5 -75.8 155.8 27.4 6.8 16.0 19 19 A L E +D 14 0B 123 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.939 34.5 157.0-111.9 130.6 24.6 9.3 16.6 20 20 A K E -D 13 0B 40 -7,-2.2 -7,-2.8 -2,-0.5 2,-0.4 -0.946 41.5-104.7-148.4 168.2 21.2 8.7 14.9 21 21 A E E +D 12 0B 99 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.817 40.0 179.0 -97.8 135.4 17.5 9.5 15.2 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.3 -2,-0.4 2,-0.5 -0.982 28.6-115.1-139.7 151.1 15.3 6.7 16.4 23 23 A L E -Df 10 84B 2 60,-3.4 62,-3.0 -2,-0.3 2,-1.1 -0.719 21.7-133.5 -88.4 123.1 11.6 6.2 17.1 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.7 -2,-0.5 62,-0.1 -0.677 34.6-171.5 -75.8 106.3 10.5 5.6 20.7 25 25 A N > + 0 0 0 60,-2.5 3,-1.3 -2,-1.1 62,-0.3 -0.847 27.5 177.8-113.5 101.2 8.2 2.7 20.0 26 26 A T T 3 S+ 0 0 1 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.573 85.2 63.5 -73.2 -8.4 5.9 1.3 22.7 27 27 A G T 3 S+ 0 0 2 177,-0.1 177,-2.5 81,-0.1 2,-0.4 0.123 89.2 82.6-101.9 19.8 4.5 -1.1 20.2 28 28 A A B < -L 203 0C 0 -3,-1.3 59,-2.7 175,-0.3 175,-0.3 -0.990 58.4-162.7-126.6 125.2 7.8 -2.9 19.7 29 29 A D S S+ 0 0 21 173,-3.0 59,-1.2 -2,-0.4 2,-0.2 0.879 79.2 34.1 -71.3 -37.5 9.1 -5.6 22.0 30 30 A D S S- 0 0 28 172,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.618 84.7-106.6-115.3 173.2 12.6 -5.2 20.7 31 31 A T - 0 0 0 43,-0.5 45,-2.9 -2,-0.2 2,-0.4 -0.878 33.9-174.7-103.3 127.6 15.0 -2.5 19.4 32 32 A V E -gH 76 84B 0 52,-1.9 52,-4.2 -2,-0.5 2,-0.3 -0.987 3.4-168.2-128.2 128.1 15.7 -2.5 15.6 33 33 A L E -g 77 0B 1 43,-3.2 45,-1.8 -2,-0.4 47,-0.2 -0.871 32.7-100.0-115.4 147.6 18.2 -0.3 13.9 34 34 A E E S-g 78 0B 85 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.237 70.3 -62.1 -57.4 152.8 18.6 0.3 10.1 35 35 A E + 0 0 86 43,-0.7 2,-0.3 45,-0.2 -1,-0.2 -0.041 68.9 162.8 -42.2 133.0 21.4 -1.7 8.7 36 36 A M - 0 0 15 -3,-0.2 2,-2.3 2,-0.1 -3,-0.1 -0.945 45.2-115.6-156.2 135.6 24.8 -0.7 10.2 37 37 A N + 0 0 153 -2,-0.3 -2,-0.1 40,-0.0 40,-0.0 -0.386 45.0 175.1 -76.4 68.2 28.1 -2.6 10.1 38 38 A L - 0 0 16 -2,-2.3 2,-0.1 1,-0.1 -2,-0.1 -0.478 26.5-124.8 -75.4 142.6 28.5 -3.3 13.9 39 39 A P + 0 0 112 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.436 63.1 59.1 -82.7 160.6 31.4 -5.5 15.0 40 40 A G S S- 0 0 60 -2,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.345 86.6 -52.1 111.3 167.8 31.0 -8.6 17.1 41 41 A K - 0 0 94 -2,-0.1 19,-0.3 19,-0.1 2,-0.3 -0.449 55.2-177.4 -78.6 153.1 29.2 -12.0 17.1 42 42 A W - 0 0 129 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.967 21.1-133.2-148.7 163.5 25.5 -12.1 16.3 43 43 A K E -I 58 0B 43 15,-1.6 15,-2.7 -2,-0.3 2,-0.1 -0.930 30.4-110.5-120.4 143.9 22.6 -14.6 16.0 44 44 A P E +I 57 0B 110 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.480 43.5 172.3 -72.2 142.9 20.1 -14.7 13.2 45 45 A K E -I 56 0B 59 11,-2.0 11,-2.5 -2,-0.1 2,-0.4 -0.968 27.5-141.5-147.5 161.3 16.5 -13.7 14.1 46 46 A M E -I 55 0B 121 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 20.0-175.3-127.6 121.9 13.2 -13.0 12.5 47 47 A I E -I 54 0B 0 7,-2.1 7,-2.3 -2,-0.4 2,-0.3 -0.934 9.6-149.9-119.5 144.2 11.0 -10.1 13.7 48 48 A G E +Ij 53 202B 5 153,-2.4 155,-3.1 -2,-0.4 5,-0.2 -0.770 24.4 146.9-116.6 159.8 7.5 -9.3 12.5 49 49 A G E > -I 52 0B 7 3,-2.3 3,-1.0 -2,-0.3 2,-0.2 -0.764 62.5 -33.1-157.9-159.9 5.3 -6.2 12.1 50 50 A I T 3 S+ 0 0 5 155,-0.6 101,-1.3 153,-0.2 102,-0.7 -0.549 130.4 25.8 -71.5 137.5 2.6 -5.0 9.8 51 51 A G T 3 S- 0 0 36 128,-0.4 2,-0.3 100,-0.2 -1,-0.2 -0.035 124.6 -77.2 100.1 -33.1 3.3 -6.4 6.3 52 52 A G E < -I 49 0B 25 -3,-1.0 -3,-2.3 100,-0.2 99,-0.3 -0.974 63.4 -37.5 143.6-157.3 5.3 -9.4 7.5 53 53 A F E -I 48 0B 140 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.769 38.3-162.4-110.4 156.6 8.6 -10.5 8.9 54 54 A I E -I 47 0B 21 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.4 -0.957 24.4-115.3-133.1 152.2 12.2 -9.4 8.2 55 55 A K E +I 46 0B 67 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.720 41.3 173.2 -88.3 136.3 15.5 -11.1 8.9 56 56 A V E -I 45 0B 7 -11,-2.5 -11,-2.0 -2,-0.4 2,-0.5 -0.925 32.6-114.2-140.4 165.3 17.8 -9.3 11.3 57 57 A R E -IK 44 77B 43 20,-3.0 20,-2.2 -2,-0.3 2,-0.6 -0.878 27.6-143.2-104.0 129.7 21.1 -9.7 13.2 58 58 A Q E -IK 43 76B 44 -15,-2.7 -15,-1.6 -2,-0.5 2,-0.4 -0.838 17.7-177.7-100.3 119.8 20.9 -9.9 17.0 59 59 A Y E - K 0 75B 7 16,-2.6 16,-2.9 -2,-0.6 3,-0.3 -0.943 14.0-149.2-113.3 133.0 23.7 -8.3 19.0 60 60 A D E + 0 0 84 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.658 67.9 15.7-103.7 160.3 23.6 -8.5 22.8 61 61 A Q E S+ 0 0 139 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.866 78.4 161.8 50.6 44.6 24.9 -6.2 25.5 62 62 A I E - K 0 73B 28 11,-2.7 11,-2.0 -3,-0.3 2,-0.3 -0.822 39.7-123.1 -96.0 128.7 25.2 -3.3 23.1 63 63 A P E + K 0 72B 84 0, 0.0 -47,-0.7 0, 0.0 2,-0.4 -0.552 33.2 177.2 -73.0 131.2 25.4 0.2 24.8 64 64 A V E -EK 15 71B 3 7,-2.1 7,-1.3 -2,-0.3 2,-0.6 -0.966 16.7-156.2-137.2 118.4 22.7 2.6 23.6 65 65 A E E -EK 14 70B 51 -51,-2.8 -51,-2.4 -2,-0.4 2,-0.7 -0.846 11.6-159.1 -95.8 124.6 22.3 6.1 25.0 66 66 A I E > -EK 13 69B 0 3,-3.5 3,-2.9 -2,-0.6 -53,-0.2 -0.898 69.2 -34.1-109.8 110.2 18.8 7.4 24.6 67 67 A C T 3 S- 0 0 54 -55,-2.5 -1,-0.2 -2,-0.7 -54,-0.1 0.886 127.0 -45.1 49.5 41.8 18.4 11.2 24.7 68 68 A G T 3 S+ 0 0 51 -56,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.154 116.7 115.9 90.7 -20.4 21.2 11.3 27.3 69 69 A H E < - K 0 66B 63 -3,-2.9 -3,-3.5 1,-0.0 -1,-0.2 -0.754 63.3-132.7 -87.8 119.3 19.8 8.3 29.3 70 70 A K E + K 0 65B 161 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.460 34.0 160.5 -75.8 139.7 22.2 5.4 29.2 71 71 A A E - 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