==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-07 2YY4 . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR H.WANG,Y.KIM,T.MURAMATSU,C.TAKEMOTO,M.SHIROUZU,S.YOKOYAMA, . 611 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 22.6 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 68 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 3 4 1 0 0 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 8 0 7 3 3 5 0 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 0 0 0 2 0 2 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 48 0, 0.0 450,-1.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 161.5 -13.3 -7.7 -27.6 2 2 A G - 0 0 15 448,-0.2 2,-0.4 1,-0.0 448,-0.1 0.032 360.0-126.1 104.8 145.4 -13.2 -3.9 -27.2 3 3 A F + 0 0 32 446,-0.2 2,-0.3 211,-0.1 447,-0.0 -0.982 35.0 159.0-131.5 121.7 -10.5 -1.3 -27.9 4 4 A R - 0 0 39 -2,-0.4 2,-0.7 446,-0.0 295,-0.0 -0.987 49.4-107.1-143.6 151.0 -9.2 1.1 -25.2 5 5 A K - 0 0 62 -2,-0.3 2,-0.4 433,-0.1 433,-0.3 -0.701 52.0-167.9 -73.9 115.9 -6.3 3.4 -24.4 6 6 A M - 0 0 11 -2,-0.7 2,-0.2 431,-0.1 431,-0.2 -0.932 12.5-155.9-116.2 133.2 -4.9 1.2 -21.6 7 7 A A B -A 436 0A 4 429,-2.7 429,-2.6 -2,-0.4 120,-0.1 -0.687 30.8 -97.3-104.0 162.1 -2.2 2.2 -19.1 8 8 A F - 0 0 30 -2,-0.2 427,-0.2 142,-0.2 426,-0.1 -0.508 50.6 -91.5 -75.8 144.9 0.1 -0.2 -17.2 9 9 A P - 0 0 10 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.385 40.1-149.5 -56.8 130.8 -1.0 -1.0 -13.6 10 10 A S >> + 0 0 0 309,-0.2 4,-2.0 1,-0.2 3,-1.3 0.539 63.7 105.1 -85.7 -10.2 0.8 1.7 -11.5 11 11 A G H 3> S+ 0 0 18 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.798 78.3 53.3 -39.7 -49.5 1.4 -0.1 -8.2 12 12 A K H 34 S+ 0 0 81 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.850 113.3 44.0 -59.5 -35.8 5.1 -0.7 -8.6 13 13 A V H X4 S+ 0 0 0 -3,-1.3 3,-2.1 1,-0.2 4,-0.5 0.848 103.9 64.1 -78.5 -34.1 5.8 3.0 -9.4 14 14 A E H >< S+ 0 0 32 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.874 95.4 59.8 -57.3 -39.3 3.5 4.3 -6.6 15 15 A G T 3< S+ 0 0 17 -4,-1.4 -1,-0.3 1,-0.2 82,-0.3 0.498 105.2 50.4 -69.4 -1.8 5.8 2.8 -4.0 16 16 A C T < S+ 0 0 0 -3,-2.1 15,-4.3 81,-0.1 2,-0.4 0.435 84.8 106.8-112.5 -4.1 8.6 4.9 -5.3 17 17 A M E < +I 30 0B 10 -3,-1.3 54,-0.3 -4,-0.5 2,-0.3 -0.630 41.4 164.9 -83.5 130.2 6.9 8.3 -5.2 18 18 A V E -I 29 0B 1 11,-2.0 11,-2.6 -2,-0.4 2,-0.4 -0.880 35.1-112.7-136.0 165.3 7.9 10.8 -2.6 19 19 A Q E -IJ 28 69B 32 50,-2.7 50,-2.9 -2,-0.3 2,-0.4 -0.849 26.2-161.0-102.9 142.3 7.4 14.5 -1.9 20 20 A V E -IJ 27 68B 0 7,-2.7 7,-1.3 -2,-0.4 2,-0.4 -0.978 7.7-175.5-128.0 121.3 10.4 16.9 -2.0 21 21 A T E +IJ 26 67B 29 46,-2.6 46,-2.7 -2,-0.4 2,-0.4 -0.918 10.2 174.4-118.6 141.0 10.4 20.4 -0.4 22 22 A C E > S-IJ 25 66B 4 3,-2.5 3,-2.3 -2,-0.4 2,-0.4 -0.965 71.4 -41.3-141.8 119.9 13.1 23.1 -0.5 23 23 A G T 3 S- 0 0 73 42,-0.6 20,-0.1 -2,-0.4 22,-0.0 -0.433 125.8 -26.6 60.3-116.1 12.3 26.4 1.1 24 24 A T T 3 S+ 0 0 135 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.441 118.6 97.0-109.0 -1.6 8.7 27.0 -0.1 25 25 A T E < +I 22 0B 35 -3,-2.3 -3,-2.5 17,-0.3 2,-0.3 -0.738 47.0 176.4 -93.8 131.8 8.8 24.9 -3.3 26 26 A T E +I 21 0B 50 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.915 10.6 145.2-129.4 161.4 7.6 21.3 -3.5 27 27 A L E -I 20 0B 4 -7,-1.3 -7,-2.7 -2,-0.3 2,-0.2 -0.905 47.5 -69.9-171.8-175.1 7.2 18.7 -6.2 28 28 A N E -I 19 0B 0 117,-3.0 2,-0.3 -2,-0.3 -9,-0.2 -0.586 36.7-162.1 -99.2 159.3 7.6 15.0 -6.6 29 29 A G E -I 18 0B 0 -11,-2.6 -11,-2.0 -2,-0.2 2,-0.6 -0.903 19.6-125.2-133.8 161.8 10.5 12.6 -6.4 30 30 A L E -IK 17 37B 0 7,-3.2 7,-2.7 -2,-0.3 2,-0.9 -0.940 21.9-157.0-111.3 116.1 11.4 9.1 -7.5 31 31 A W E + K 0 36B 13 -15,-4.3 2,-0.4 -2,-0.6 5,-0.2 -0.812 22.3 163.1 -99.6 102.7 12.7 7.0 -4.6 32 32 A L E > - K 0 35B 0 3,-2.6 3,-3.3 -2,-0.9 -2,-0.1 -0.967 65.2 -38.9-118.6 133.5 14.8 4.1 -5.9 33 33 A D T 3 S- 0 0 63 -2,-0.4 62,-4.0 62,-0.3 64,-0.1 -0.311 125.9 -28.4 50.8-125.3 17.2 2.2 -3.6 34 34 A D T 3 S+ 0 0 65 60,-0.3 57,-3.1 61,-0.1 2,-0.4 0.050 121.5 90.9-108.2 25.5 18.6 5.0 -1.5 35 35 A T E < -KL 32 90B 5 -3,-3.3 -3,-2.6 55,-0.2 2,-0.5 -0.949 55.3-158.0-124.7 142.9 18.3 7.7 -4.0 36 36 A V E -KL 31 89B 0 53,-2.2 53,-2.8 -2,-0.4 2,-0.4 -0.980 13.6-161.1-118.8 115.4 15.5 10.2 -4.7 37 37 A Y E +KL 30 88B 11 -7,-2.7 -7,-3.2 -2,-0.5 51,-0.2 -0.800 22.2 153.3 -96.8 139.9 15.5 11.7 -8.2 38 38 A C E - L 0 87B 0 49,-1.6 49,-2.7 -2,-0.4 -9,-0.1 -0.983 50.2 -74.5-159.7 162.3 13.6 14.9 -8.8 39 39 A P E > - L 0 86B 0 0, 0.0 3,-1.2 0, 0.0 47,-0.2 -0.395 40.3-133.6 -60.6 134.0 13.5 18.0 -11.1 40 40 A R G > S+ 0 0 36 45,-1.9 3,-1.8 1,-0.3 46,-0.1 0.714 93.6 80.9 -66.9 -17.6 16.3 20.4 -10.1 41 41 A H G > + 0 0 41 44,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.485 66.6 88.0 -70.5 6.7 14.0 23.5 -10.2 42 42 A V G < S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.3 -17,-0.3 0.650 80.2 63.3 -75.1 -11.5 12.8 22.6 -6.7 43 43 A I G < S+ 0 0 9 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.3 0.431 95.0 87.7 -88.9 2.7 15.8 24.6 -5.5 44 44 A C < - 0 0 5 -3,-1.5 2,-0.3 -4,-0.1 -22,-0.1 -0.722 65.2-144.6-108.1 152.3 14.2 27.7 -7.0 45 45 A T >> - 0 0 59 -2,-0.3 3,-1.7 1,-0.1 4,-0.9 -0.690 45.1 -98.4-100.3 159.8 11.7 30.4 -6.0 46 46 A A G >4 S+ 0 0 91 1,-0.3 3,-0.7 -2,-0.3 4,-0.2 0.854 123.9 52.8 -50.2 -41.1 9.4 31.7 -8.8 47 47 A E G >4 S+ 0 0 158 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.713 100.4 63.2 -70.5 -18.0 11.6 34.8 -9.5 48 48 A D G X4 S+ 0 0 42 -3,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.802 83.1 79.4 -73.6 -30.1 14.7 32.6 -9.9 49 49 A M G << S+ 0 0 33 -4,-0.9 140,-3.8 -3,-0.7 -1,-0.2 0.691 77.4 71.9 -52.7 -22.5 13.2 30.8 -12.9 50 50 A L G < S- 0 0 113 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.1 0.949 127.1 -11.0 -64.1 -49.6 14.0 33.7 -15.3 51 51 A N S < S- 0 0 121 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 -0.400 82.0-176.8-147.9 66.9 17.8 33.1 -15.3 52 52 A P - 0 0 5 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.315 20.1-153.3 -66.8 145.8 18.7 30.6 -12.6 53 53 A N > - 0 0 77 1,-0.2 4,-3.2 2,-0.0 5,-0.1 -0.896 16.7-174.6-117.5 92.3 22.3 29.7 -12.0 54 54 A Y H > S+ 0 0 6 -2,-0.6 4,-4.0 2,-0.2 5,-0.3 0.871 75.4 55.9 -58.2 -44.6 21.8 26.2 -10.6 55 55 A E H > S+ 0 0 125 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.978 117.5 35.2 -55.5 -58.0 25.4 25.4 -9.7 56 56 A D H > S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.938 116.8 57.1 -61.2 -43.7 25.6 28.6 -7.5 57 57 A L H < S+ 0 0 16 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.915 113.0 39.1 -51.4 -47.7 22.0 28.1 -6.5 58 58 A L H >< S+ 0 0 20 -4,-4.0 3,-3.1 1,-0.2 -1,-0.2 0.853 103.0 68.5 -72.7 -37.2 22.7 24.6 -5.2 59 59 A I H 3< S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 95.1 60.2 -51.3 -31.3 26.1 25.5 -3.7 60 60 A R T 3< S+ 0 0 196 -4,-1.3 -1,-0.3 -3,-0.4 2,-0.2 0.428 93.2 92.0 -76.5 -1.8 24.0 27.5 -1.1 61 61 A K < - 0 0 64 -3,-3.1 2,-0.3 3,-0.0 -3,-0.0 -0.641 57.4-157.7-100.3 156.0 22.2 24.4 0.0 62 62 A S >> - 0 0 65 -2,-0.2 3,-4.0 1,-0.1 4,-0.8 -0.916 39.5-104.7-124.3 152.1 22.9 21.9 2.8 63 63 A N G >4 S+ 0 0 52 -2,-0.3 3,-1.0 1,-0.3 14,-0.3 0.862 124.6 57.4 -42.5 -35.7 21.6 18.3 3.0 64 64 A H G 34 S+ 0 0 156 1,-0.2 -1,-0.3 12,-0.1 14,-0.0 0.591 87.8 71.1 -77.0 -7.3 19.2 19.7 5.5 65 65 A S G <4 S+ 0 0 37 -3,-4.0 -42,-0.6 -43,-0.1 2,-0.5 0.789 89.8 76.2 -75.0 -23.5 17.7 22.3 3.1 66 66 A F E << -J 22 0B 7 -3,-1.0 2,-0.6 -4,-0.8 11,-0.4 -0.765 66.3-166.4 -92.2 126.4 16.1 19.3 1.4 67 67 A L E -J 21 0B 80 -46,-2.7 -46,-2.6 -2,-0.5 2,-0.5 -0.941 5.5-170.1-114.8 114.9 13.1 17.7 3.0 68 68 A V E -JM 20 75B 1 7,-0.7 7,-2.3 -2,-0.6 2,-0.5 -0.913 1.3-168.8-111.7 128.5 11.9 14.3 1.7 69 69 A Q E -JM 19 74B 57 -50,-2.9 -50,-2.7 -2,-0.5 2,-0.6 -0.950 8.9-172.0-121.4 124.9 8.7 12.7 2.6 70 70 A A E > S- M 0 73B 13 3,-2.4 2,-1.5 -2,-0.5 3,-1.0 -0.935 76.0 -54.3-110.5 110.1 7.7 9.1 1.9 71 71 A G T 3 S- 0 0 60 -2,-0.6 -52,-0.0 -54,-0.3 -2,-0.0 -0.439 121.3 -35.8 56.9 -94.8 4.1 8.5 2.8 72 72 A N T 3 S+ 0 0 142 -2,-1.5 -1,-0.3 -3,-0.0 0, 0.0 0.632 112.4 105.5-125.5 -36.1 4.9 9.8 6.3 73 73 A V E < -M 70 0B 91 -3,-1.0 -3,-2.4 -4,-0.1 2,-0.6 -0.198 67.8-133.1 -48.3 139.8 8.4 8.6 7.2 74 74 A Q E -M 69 0B 87 -5,-0.2 2,-0.3 2,-0.0 -5,-0.2 -0.899 18.2-150.2 -96.6 122.5 10.8 11.5 6.9 75 75 A L E -M 68 0B 6 -7,-2.3 -7,-0.7 -2,-0.6 2,-0.6 -0.656 12.2-131.6 -88.0 154.6 13.8 10.4 4.9 76 76 A R - 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