==== 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 12-MAY-03 1P9S . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN CORONAVIRUS; . AUTHOR K.ANAND,J.ZIEBUHR,P.WADHWANI,J.R.MESTERS,R.HILGENFELD . 598 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 22.7 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 . 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 . 69 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 4 0 2 0 1 2 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 2 4 4 2 6 2 0 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 A 0 0 41 0, 0.0 2,-0.3 0, 0.0 438,-0.1 0.000 360.0 360.0 360.0 -83.3 41.5 -14.9 11.0 2 2 A G - 0 0 13 293,-0.2 2,-0.5 438,-0.2 468,-0.0 -0.919 360.0 -80.0-173.3-175.1 39.2 -14.5 14.1 3 3 A L + 0 0 15 -2,-0.3 2,-0.3 275,-0.1 289,-0.1 -0.970 47.7 165.7-113.1 118.8 35.9 -12.8 15.4 4 4 A R - 0 0 37 -2,-0.5 2,-0.1 435,-0.1 -2,-0.1 -0.991 42.8-102.5-133.2 142.9 36.1 -9.1 16.4 5 5 A K + 0 0 45 -2,-0.3 2,-0.3 282,-0.0 282,-0.1 -0.387 54.8 172.9 -63.7 137.9 33.4 -6.6 17.0 6 6 A X - 0 0 24 -2,-0.1 2,-0.3 420,-0.1 420,-0.2 -0.980 30.5-140.8-151.9 153.5 33.1 -4.3 14.1 7 7 A A B -A 425 0A 5 418,-2.1 418,-3.0 -2,-0.3 3,-0.1 -0.794 27.0-117.6-111.4 157.4 31.2 -1.5 12.3 8 8 A Q - 0 0 26 -2,-0.3 416,-0.2 416,-0.2 415,-0.1 -0.656 56.9 -78.6 -84.4 147.7 30.4 -1.1 8.6 9 9 A P - 0 0 7 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.058 36.0-151.4 -54.0 154.6 32.1 2.1 7.2 10 10 A S >> + 0 0 0 1,-0.1 4,-2.4 2,-0.1 3,-1.3 0.491 64.9 100.9-110.0 -9.0 30.4 5.5 8.0 11 11 A G H 3> S+ 0 0 14 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.777 80.9 53.5 -52.9 -37.7 31.4 7.7 5.1 12 12 A F H 34 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.796 117.5 40.9 -70.7 -20.5 28.0 7.4 3.2 13 13 A V H X> S+ 0 0 0 -3,-1.3 3,-2.4 2,-0.1 4,-0.6 0.838 100.0 68.3 -93.0 -37.8 26.4 8.5 6.4 14 14 A E H >< S+ 0 0 39 -4,-2.4 3,-1.3 1,-0.3 -3,-0.1 0.883 95.5 58.2 -53.2 -41.2 28.7 11.3 7.8 15 15 A K T 3< S+ 0 0 110 -4,-0.9 -1,-0.3 1,-0.2 81,-0.2 0.627 101.2 57.1 -63.7 -12.1 27.7 13.6 4.9 16 16 A C T <4 S+ 0 0 0 -3,-2.4 15,-3.5 80,-0.1 2,-0.3 0.623 84.3 102.9 -96.8 -12.1 24.1 13.4 6.0 17 17 A V E << +I 30 0B 9 -3,-1.3 2,-0.3 -4,-0.6 53,-0.3 -0.523 46.5 174.6 -79.4 129.6 24.6 14.6 9.5 18 18 A V E -I 29 0B 1 11,-2.3 11,-2.6 -2,-0.3 2,-0.6 -0.923 35.9-112.1-128.9 155.4 23.8 18.2 10.5 19 19 A R E -IJ 28 68B 97 49,-2.4 49,-2.3 -2,-0.3 2,-0.6 -0.772 32.3-166.6 -75.1 117.4 23.7 20.5 13.6 20 20 A V E -IJ 27 67B 0 7,-3.0 7,-2.2 -2,-0.6 2,-0.4 -0.959 8.4-178.1-107.1 115.4 20.0 21.3 14.4 21 21 A C E -IJ 26 66B 27 45,-3.2 45,-2.6 -2,-0.6 2,-0.4 -0.966 11.0-179.2-112.9 135.2 19.6 24.1 16.9 22 22 A Y E > -IJ 25 65B 25 3,-2.3 3,-1.8 -2,-0.4 2,-0.2 -0.972 64.3 -58.1-131.8 113.6 16.3 25.4 18.2 23 23 A G T 3 S- 0 0 50 41,-1.6 20,-0.1 -2,-0.4 22,-0.1 -0.328 123.3 -11.5 48.4-111.9 16.6 28.3 20.6 24 24 A N T 3 S+ 0 0 131 -2,-0.2 2,-0.3 18,-0.1 -1,-0.3 0.689 118.3 89.9 -81.0 -28.1 18.8 27.0 23.6 25 25 A T E < -I 22 0B 26 -3,-1.8 -3,-2.3 17,-0.3 2,-0.4 -0.610 53.9-170.3 -87.3 135.9 18.7 23.2 22.6 26 26 A V E +I 21 0B 61 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.987 20.2 136.2-125.8 130.0 21.4 21.7 20.3 27 27 A L E -I 20 0B 2 -7,-2.2 -7,-3.0 -2,-0.4 2,-0.2 -0.908 46.7 -76.2-156.7-175.0 21.3 18.2 18.7 28 28 A N E -I 19 0B 0 116,-2.7 2,-0.3 -2,-0.3 -9,-0.2 -0.585 34.8-171.2 -93.6 154.9 21.9 16.2 15.5 29 29 A G E -I 18 0B 2 -11,-2.6 -11,-2.3 -2,-0.2 2,-0.5 -0.895 20.1-130.9-136.0 170.2 19.8 15.9 12.5 30 30 A L E -IK 17 37B 0 7,-2.5 7,-3.4 -2,-0.3 2,-0.8 -0.972 18.2-155.8-129.7 114.4 19.9 13.7 9.4 31 31 A W E + K 0 36B 20 -15,-3.5 2,-0.4 -2,-0.5 5,-0.3 -0.830 20.0 166.8-101.0 106.1 19.5 15.5 6.2 32 32 A L E > - K 0 35B 9 3,-2.8 3,-2.0 -2,-0.8 2,-0.2 -0.987 64.6 -37.3-119.3 132.6 18.1 13.4 3.3 33 33 A G T 3 S- 0 0 24 -2,-0.4 61,-1.8 61,-0.4 63,-0.1 -0.416 127.2 -27.2 53.1-126.6 16.9 15.0 0.0 34 34 A D T 3 S+ 0 0 57 59,-0.2 56,-2.1 -2,-0.2 2,-0.4 0.058 122.5 93.5-104.6 30.3 15.3 18.3 1.2 35 35 A I E < -KL 32 89B 34 -3,-2.0 -3,-2.8 54,-0.2 2,-0.7 -0.980 55.7-158.1-128.0 127.9 14.3 16.9 4.7 36 36 A V E -KL 31 88B 0 52,-3.2 52,-2.6 -2,-0.4 2,-0.4 -0.936 15.8-157.8 -99.4 113.4 16.2 17.2 8.0 37 37 A Y E +KL 30 87B 21 -7,-3.4 -7,-2.5 -2,-0.7 50,-0.2 -0.761 26.7 147.2 -83.9 135.9 15.1 14.4 10.4 38 38 A C E - L 0 86B 0 48,-1.6 48,-2.2 -2,-0.4 -9,-0.1 -0.984 53.6 -75.2-159.4 165.0 15.7 15.0 14.1 39 39 A P E > - L 0 85B 0 0, 0.0 3,-1.2 0, 0.0 46,-0.3 -0.495 38.6-132.9 -66.1 142.6 14.2 14.3 17.5 40 40 A R G > S+ 0 0 36 44,-1.8 3,-1.5 1,-0.3 4,-0.2 0.628 96.0 80.6 -76.3 -15.1 11.1 16.5 18.2 41 41 A H G > + 0 0 31 43,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.617 68.5 86.9 -67.3 -8.9 12.3 17.4 21.7 42 42 A V G < S+ 0 0 0 -3,-1.2 -17,-0.3 1,-0.3 -1,-0.3 0.844 91.5 46.8 -53.4 -35.5 14.7 20.0 20.1 43 43 A I G < S+ 0 0 4 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.491 83.1 112.6 -94.4 -4.2 11.8 22.4 20.2 44 44 A A < - 0 0 2 -3,-1.2 3,-0.2 -4,-0.2 -19,-0.1 -0.467 56.3-151.8 -63.4 138.8 10.7 21.8 23.9 45 45 A S S S+ 0 0 77 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.865 82.7 26.4 -80.0 -35.1 11.4 24.8 26.1 46 46 A N > - 0 0 80 3,-0.1 2,-1.4 4,-0.1 3,-1.1 -0.859 57.8-171.3-137.6 97.8 11.9 23.0 29.4 47 47 A T T 3 S+ 0 0 83 -2,-0.4 4,-0.1 1,-0.2 3,-0.1 -0.108 77.1 77.1 -79.1 41.8 13.1 19.3 29.4 48 48 A T T 3 S+ 0 0 112 -2,-1.4 2,-0.3 2,-0.1 -1,-0.2 0.533 90.1 40.8-133.2 -22.6 12.4 19.1 33.1 49 49 A S S < S- 0 0 58 -3,-1.1 -3,-0.1 1,-0.1 -1,-0.1 -0.774 106.7 -61.4-123.1 169.4 8.6 18.7 33.5 50 50 A A - 0 0 93 -2,-0.3 2,-0.5 137,-0.1 -1,-0.1 -0.252 59.3-135.6 -47.4 140.7 6.0 16.7 31.6 51 51 A I - 0 0 18 -4,-0.1 2,-0.8 -3,-0.1 -1,-0.1 -0.937 10.7-154.2-113.1 128.6 6.1 18.0 28.0 52 52 A D > - 0 0 96 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 -0.884 15.6-177.1 -98.2 102.6 2.9 18.7 26.1 53 53 A Y H > S+ 0 0 11 -2,-0.8 4,-2.5 2,-0.2 5,-0.3 0.886 77.6 57.4 -79.3 -38.1 4.0 18.2 22.5 54 54 A D H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 115.5 41.4 -51.8 -44.5 0.9 19.1 20.7 55 55 A H H > S+ 0 0 90 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.860 112.6 54.0 -70.1 -37.8 1.2 22.5 22.5 56 56 A E H < S+ 0 0 20 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.813 110.9 45.7 -67.1 -31.4 4.9 22.6 22.0 57 57 A Y H >< S+ 0 0 89 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.896 107.2 59.8 -77.6 -41.6 4.4 22.2 18.2 58 58 A S H 3< S+ 0 0 88 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.678 110.5 39.4 -59.0 -25.6 1.6 24.7 18.3 59 59 A I T 3< S+ 0 0 82 -4,-0.9 -1,-0.3 -3,-0.1 2,-0.2 0.246 85.0 128.6-110.8 9.5 4.0 27.5 19.6 60 60 A X < - 0 0 31 -3,-1.4 2,-0.4 -5,-0.1 -3,-0.1 -0.485 41.2-163.5 -62.5 131.4 6.9 26.6 17.5 61 61 A R > - 0 0 164 -2,-0.2 3,-1.6 1,-0.1 4,-0.1 -0.997 11.0-149.3-120.0 128.8 8.4 29.5 15.5 62 62 A L G > S+ 0 0 59 -2,-0.4 3,-2.7 1,-0.3 14,-0.1 0.720 88.5 72.8 -76.0 -24.1 10.7 28.4 12.7 63 63 A H G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -41,-0.0 13,-0.0 0.644 86.9 68.8 -65.8 -12.4 13.0 31.4 12.8 64 64 A N G < S+ 0 0 60 -3,-1.6 -41,-1.6 -42,-0.1 -1,-0.3 0.606 85.0 93.5 -78.7 -11.3 14.4 29.9 16.0 65 65 A F E < +J 22 0B 17 -3,-2.7 2,-0.4 -43,-0.2 -43,-0.2 -0.594 47.5 174.7 -80.5 141.1 15.8 27.0 13.9 66 66 A S E -J 21 0B 38 -45,-2.6 -45,-3.2 -2,-0.3 2,-0.4 -0.946 7.4-174.2-138.5 130.8 19.3 27.1 12.7 67 67 A I E -JM 20 74B 0 7,-0.6 7,-2.6 -2,-0.4 2,-0.4 -0.994 4.4-167.4-127.8 124.6 20.5 24.0 10.9 68 68 A I E -JM 19 73B 20 -49,-2.3 -49,-2.4 -2,-0.4 2,-0.6 -0.945 14.8-168.4-122.7 131.5 24.1 23.7 9.7 69 69 A S E > S- M 0 72B 28 3,-2.3 3,-2.6 -2,-0.4 2,-0.8 -0.958 74.4 -49.2-112.8 108.2 25.8 21.2 7.4 70 70 A G T 3 S- 0 0 71 -2,-0.6 -51,-0.1 1,-0.3 -2,-0.0 -0.573 125.9 -23.0 72.3-104.7 29.5 21.6 7.7 71 71 A T T 3 S+ 0 0 141 -2,-0.8 2,-0.3 2,-0.0 -1,-0.3 0.290 118.8 99.0-113.5 7.6 29.9 25.3 7.3 72 72 A A E < -M 69 0B 51 -3,-2.6 -3,-2.3 1,-0.0 2,-0.4 -0.751 64.1-133.0-111.9 140.9 26.6 26.0 5.5 73 73 A F E -M 68 0B 150 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.698 16.7-147.9 -91.5 136.1 23.2 27.3 6.7 74 74 A L E -M 67 0B 12 -7,-2.6 2,-0.7 -2,-0.4 -7,-0.6 -0.900 15.6-128.7-103.7 134.4 20.1 25.5 5.6 75 75 A G - 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