==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-JUN-07 2Z3E . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB (PP1AB); . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.YIN . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 22.9 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 2 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 3 2 1 3 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 . 0 0 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 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 S 0 0 161 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 170.5 22.7 6.0 -23.7 2 2 A G - 0 0 44 1,-0.1 2,-0.3 212,-0.0 280,-0.0 -0.231 360.0-131.6 111.3 154.4 19.1 7.1 -24.7 3 3 A F + 0 0 28 279,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.805 31.1 165.3-144.9 115.6 15.9 7.2 -22.7 4 4 A R - 0 0 201 -2,-0.3 2,-0.6 295,-0.0 295,-0.0 -0.839 49.7-100.2-124.1 149.0 12.7 5.7 -24.0 5 5 A K - 0 0 93 -2,-0.3 2,-0.4 122,-0.1 286,-0.1 -0.681 56.3-165.1 -61.6 119.6 9.3 4.7 -22.5 6 6 A M - 0 0 77 -2,-0.6 2,-0.2 120,-0.1 120,-0.1 -0.965 12.5-156.5-123.1 130.8 10.3 1.1 -22.4 7 7 A A - 0 0 29 -2,-0.4 120,-0.1 118,-0.1 144,-0.1 -0.617 28.3-100.7-100.9 158.5 7.8 -1.8 -21.9 8 8 A F - 0 0 18 142,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.479 49.6 -90.3 -70.3 154.5 8.6 -5.2 -20.5 9 9 A P - 0 0 103 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.506 38.2-149.4 -70.1 139.0 8.9 -8.0 -23.0 10 10 A S > + 0 0 16 1,-0.2 4,-2.3 -2,-0.2 3,-0.5 0.340 62.5 108.1-100.8 5.2 5.5 -9.4 -23.4 11 11 A G H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.840 79.6 46.5 -53.5 -49.7 6.2 -13.1 -24.2 12 12 A K H 4 S+ 0 0 82 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.785 115.4 46.9 -70.5 -34.3 5.1 -14.7 -20.9 13 13 A V H >4 S+ 0 0 0 -3,-0.5 3,-1.7 -4,-0.2 -1,-0.2 0.871 106.4 58.9 -69.2 -42.1 1.8 -12.6 -20.8 14 14 A E H >< S+ 0 0 88 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.869 98.0 60.3 -54.0 -45.4 1.0 -13.4 -24.6 15 15 A G T 3< S+ 0 0 21 -4,-1.7 82,-0.3 1,-0.2 -1,-0.3 0.445 104.8 50.3 -64.1 -0.2 1.1 -17.2 -23.8 16 16 A C T < S+ 0 0 0 -3,-1.7 15,-2.5 81,-0.1 2,-0.3 0.344 83.0 113.1-115.1 -1.6 -1.8 -16.6 -21.3 17 17 A M E < +A 30 0A 15 -3,-1.7 2,-0.3 -4,-0.2 13,-0.2 -0.597 37.3 162.5 -84.0 135.0 -4.2 -14.6 -23.5 18 18 A V E -A 29 0A 2 11,-1.8 11,-2.0 -2,-0.3 2,-0.5 -0.893 37.0-110.5-139.7 169.4 -7.5 -16.2 -24.6 19 19 A Q E -AB 28 69A 33 50,-2.1 50,-2.7 -2,-0.3 2,-0.5 -0.900 26.1-162.7-102.7 127.5 -10.9 -15.2 -26.0 20 20 A V E -AB 27 68A 0 7,-3.6 7,-2.3 -2,-0.5 2,-0.4 -0.973 7.2-173.9-115.2 126.4 -14.0 -15.4 -23.8 21 21 A T E +AB 26 67A 26 46,-2.4 46,-2.4 -2,-0.5 2,-0.4 -0.953 11.7 174.1-115.3 129.9 -17.5 -15.3 -25.3 22 22 A C E > S-AB 25 66A 4 3,-2.1 3,-2.2 -2,-0.4 2,-0.6 -0.982 70.5 -45.8-128.3 122.2 -20.8 -15.1 -23.5 23 23 A G T 3 S- 0 0 69 42,-0.7 20,-0.1 -2,-0.4 22,-0.0 -0.467 123.8 -21.6 62.7-110.7 -23.8 -14.7 -25.8 24 24 A T T 3 S+ 0 0 147 -2,-0.6 2,-0.5 -3,-0.0 -1,-0.3 0.284 117.0 96.2-115.4 -6.7 -23.0 -12.0 -28.3 25 25 A T E < -A 22 0A 37 -3,-2.2 -3,-2.1 17,-0.3 2,-0.4 -0.803 49.8-177.5 -90.8 131.1 -20.2 -10.3 -26.3 26 26 A T E +A 21 0A 47 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -1.000 15.3 143.0-127.8 132.5 -16.6 -11.3 -26.9 27 27 A L E -A 20 0A 2 -7,-2.3 -7,-3.6 -2,-0.4 2,-0.3 -0.878 46.8 -77.8-146.5 177.3 -13.6 -10.0 -25.0 28 28 A N E -A 19 0A 0 117,-2.0 2,-0.3 -2,-0.3 -9,-0.2 -0.624 35.2-168.6 -82.1 139.4 -10.2 -11.3 -23.7 29 29 A G E -A 18 0A 0 -11,-2.0 -11,-1.8 -2,-0.3 2,-0.6 -0.805 22.5-123.0-119.1 169.4 -9.4 -13.4 -20.6 30 30 A L E -AC 17 37A 0 7,-2.0 7,-1.2 -2,-0.3 2,-0.7 -0.913 21.1-156.9-118.3 102.9 -6.2 -14.4 -18.7 31 31 A W E + C 0 36A 22 -15,-2.5 2,-0.4 -2,-0.6 5,-0.3 -0.716 20.5 167.3 -84.1 106.5 -5.6 -18.1 -18.5 32 32 A L E > - C 0 35A 1 3,-2.8 3,-2.6 -2,-0.7 -2,-0.1 -0.999 65.3 -40.7-122.6 132.0 -3.3 -19.0 -15.5 33 33 A D T 3 S- 0 0 77 -2,-0.4 62,-2.5 62,-0.4 64,-0.1 -0.280 127.5 -22.0 45.1-130.7 -3.1 -22.6 -14.4 34 34 A D T 3 S+ 0 0 81 60,-0.3 57,-2.2 -3,-0.1 2,-0.4 0.219 123.0 85.6 -85.2 16.2 -6.7 -23.9 -14.6 35 35 A T E < -CD 32 90A 17 -3,-2.6 -3,-2.8 55,-0.2 2,-0.5 -0.942 55.2-160.5-122.5 137.3 -8.5 -20.5 -14.4 36 36 A V E -CD 31 89A 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.943 16.2-155.9-106.5 135.4 -9.4 -17.8 -17.0 37 37 A Y E +CD 30 88A 28 -7,-1.2 -7,-2.0 -2,-0.5 51,-0.2 -0.946 23.5 154.4-109.5 128.5 -10.0 -14.4 -15.6 38 38 A C E - D 0 87A 0 49,-1.8 49,-2.5 -2,-0.4 2,-0.2 -0.961 50.4 -75.6-145.8 165.9 -12.2 -11.8 -17.4 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.9 0, 0.0 47,-0.3 -0.454 38.7-136.3 -56.0 128.2 -14.5 -8.7 -16.9 40 40 A R G > S+ 0 0 33 45,-1.8 3,-1.8 1,-0.3 4,-0.1 0.707 97.2 81.2 -61.0 -20.7 -17.8 -9.9 -15.5 41 41 A H G > + 0 0 10 44,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.579 65.6 90.5 -68.0 -4.8 -19.5 -7.6 -17.9 42 42 A V G < S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -17,-0.3 0.623 84.9 53.9 -52.0 -17.6 -18.9 -10.4 -20.4 43 43 A I G < S+ 0 0 10 -3,-1.8 -1,-0.2 2,-0.1 2,-0.2 0.583 89.4 118.9 -97.0 -6.5 -22.4 -11.6 -19.3 44 44 A C < - 0 0 5 -3,-1.6 2,-0.5 -4,-0.1 5,-0.1 -0.384 66.2-133.1 -86.7 129.6 -24.1 -8.3 -19.9 45 45 A T > - 0 0 58 3,-0.2 3,-1.1 -2,-0.2 -1,-0.1 -0.638 29.3-134.6 -58.7 117.1 -27.0 -7.5 -22.2 46 46 A A T 3 S+ 0 0 83 -2,-0.5 3,-0.3 1,-0.3 -1,-0.2 0.500 107.0 59.4 -66.1 -1.8 -25.4 -4.3 -23.6 47 47 A E T > S+ 0 0 131 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.743 104.9 47.3 -92.0 -31.6 -28.8 -2.8 -23.0 48 48 A D T < S+ 0 0 72 -3,-1.1 -3,-0.2 1,-0.2 -1,-0.2 -0.357 77.7 96.1-106.6 49.6 -28.6 -3.5 -19.2 49 49 A M T 3 S+ 0 0 16 -3,-0.3 140,-2.5 -5,-0.1 -1,-0.2 0.481 75.2 73.9 -84.9 -19.7 -25.2 -2.2 -18.8 50 50 A L S < S- 0 0 111 -3,-0.6 -2,-0.1 1,-0.3 138,-0.1 0.848 124.1 -5.3 -60.7 -41.0 -27.3 0.8 -17.8 51 51 A N S S- 0 0 112 -4,-0.1 -1,-0.3 137,-0.1 2,-0.2 -0.565 85.1-177.6-154.1 73.4 -28.3 -0.9 -14.5 52 52 A P - 0 0 17 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.558 19.2-159.0 -81.5 144.4 -26.9 -4.4 -14.3 53 53 A N > - 0 0 85 -2,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.949 12.7-173.6-114.7 108.3 -27.5 -6.7 -11.4 54 54 A Y H > S+ 0 0 4 -2,-0.6 4,-2.9 2,-0.2 5,-0.2 0.811 79.0 52.5 -73.9 -37.4 -24.6 -9.1 -11.7 55 55 A E H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.969 116.4 43.7 -60.0 -49.0 -25.5 -11.6 -9.0 56 56 A D H > S+ 0 0 74 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.889 116.6 45.7 -65.3 -45.5 -28.9 -11.8 -10.7 57 57 A L H < S+ 0 0 31 -4,-2.6 3,-0.3 2,-0.2 -1,-0.2 0.845 112.9 51.1 -63.0 -37.9 -27.5 -12.0 -14.2 58 58 A L H >< S+ 0 0 18 -4,-2.9 3,-2.8 1,-0.2 -2,-0.2 0.928 100.0 60.1 -72.1 -42.9 -24.9 -14.6 -13.3 59 59 A I H 3< S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.754 99.2 61.9 -54.0 -29.2 -27.3 -17.1 -11.6 60 60 A R T 3< S+ 0 0 170 -4,-0.7 2,-0.3 -3,-0.3 -1,-0.3 0.462 94.9 79.1 -74.3 -4.3 -29.0 -17.3 -15.0 61 61 A K < - 0 0 65 -3,-2.8 2,-0.2 -4,-0.0 -18,-0.0 -0.808 63.2-157.6-106.5 145.0 -25.9 -18.6 -16.6 62 62 A S > - 0 0 38 -2,-0.3 3,-0.8 17,-0.0 4,-0.2 -0.435 40.5 -93.3 -99.2-173.1 -24.5 -22.2 -16.6 63 63 A N G > S+ 0 0 53 1,-0.2 3,-0.9 -2,-0.2 14,-0.2 0.814 124.8 53.8 -64.2 -37.6 -20.9 -23.3 -17.2 64 64 A H G 3 S+ 0 0 159 1,-0.2 -1,-0.2 12,-0.1 14,-0.0 0.225 84.4 82.9 -92.0 11.2 -21.6 -23.9 -20.9 65 65 A S G < S+ 0 0 39 -3,-0.8 -42,-0.7 -43,-0.1 2,-0.4 0.615 89.0 66.8 -78.0 -21.6 -22.9 -20.4 -21.4 66 66 A F E < -B 22 0A 5 -3,-0.9 2,-0.4 -4,-0.2 11,-0.4 -0.877 66.9-161.9-102.8 134.8 -19.2 -19.4 -21.7 67 67 A L E -B 21 0A 93 -46,-2.4 -46,-2.4 -2,-0.4 2,-0.5 -0.973 4.3-163.7-112.4 130.7 -16.8 -20.4 -24.5 68 68 A V E -BE 20 75A 0 7,-0.9 7,-3.5 -2,-0.4 2,-0.6 -0.964 6.7-166.4-112.3 121.5 -13.1 -20.1 -23.9 69 69 A Q E -BE 19 74A 70 -50,-2.7 -50,-2.1 -2,-0.5 2,-0.7 -0.939 9.9-175.8-115.6 118.7 -10.9 -20.2 -27.0 70 70 A A E > - E 0 73A 17 3,-2.5 3,-1.7 -2,-0.6 2,-0.4 -0.862 68.6 -54.1-112.2 96.6 -7.2 -20.7 -26.7 71 71 A G T 3 S- 0 0 65 -2,-0.7 -52,-0.1 1,-0.2 50,-0.0 -0.638 119.4 -25.7 72.5-125.3 -5.7 -20.4 -30.3 72 72 A N T 3 S+ 0 0 155 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.369 122.9 95.2 -96.8 3.0 -7.7 -23.0 -32.3 73 73 A V E < -E 70 0A 82 -3,-1.7 -3,-2.5 2,-0.0 2,-0.4 -0.746 67.9-139.0 -94.2 136.8 -8.5 -25.1 -29.2 74 74 A Q E -E 69 0A 100 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.837 13.5-146.8 -91.2 132.8 -11.8 -24.8 -27.2 75 75 A L E -E 68 0A 7 -7,-3.5 -7,-0.9 -2,-0.4 2,-0.6 -0.861 14.0-129.8 -96.4 130.9 -11.5 -25.0 -23.5 76 76 A R - 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