==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JAN-07 2OP9 . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB (PP1AB, ORF1AB) 3C- . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR C.S.CRAIK,D.H.GOETZ . 601 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 24.1 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 . 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 . 58 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 0 4 2 3 0 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 0 6 4 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 0 2 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 0 A A 0 0 73 0, 0.0 2,-0.3 0, 0.0 443,-0.2 0.000 360.0 360.0 360.0 133.6 4.3 51.7 37.9 2 1 A S B +A 443 0A 15 441,-2.0 441,-2.3 471,-0.0 471,-0.1 -0.981 360.0 54.2-166.6 163.8 5.2 48.1 38.5 3 2 A G - 0 0 22 -2,-0.3 2,-0.3 439,-0.2 439,-0.2 0.064 49.4-131.0 94.6 158.0 5.1 45.1 40.9 4 3 A F + 0 0 32 437,-0.2 2,-0.3 279,-0.1 -1,-0.1 -0.898 28.3 173.6-147.0 121.4 2.4 43.5 42.9 5 4 A R - 0 0 35 -2,-0.3 2,-1.2 295,-0.0 436,-0.0 -0.903 43.5-110.1-126.0 150.0 2.7 42.7 46.7 6 5 A K - 0 0 60 -2,-0.3 2,-0.4 424,-0.1 424,-0.3 -0.707 54.4-170.0 -74.8 100.1 0.5 41.4 49.4 7 6 A M - 0 0 10 -2,-1.2 2,-0.2 422,-0.1 422,-0.2 -0.801 15.5-155.1-104.1 141.4 0.4 44.7 51.2 8 7 A A B -B 428 0B 2 420,-2.8 420,-2.4 -2,-0.4 120,-0.1 -0.679 31.2 -96.3-104.9 162.0 -1.0 45.5 54.6 9 8 A F - 0 0 15 -2,-0.2 418,-0.2 142,-0.2 417,-0.1 -0.505 52.4 -89.7 -69.2 148.7 -2.3 48.8 55.9 10 9 A P - 0 0 10 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.390 39.4-150.5 -59.1 135.4 0.1 51.0 57.8 11 10 A S >> + 0 0 0 1,-0.2 4,-2.4 2,-0.1 3,-1.2 0.467 65.6 102.8 -94.8 -2.2 -0.4 49.9 61.4 12 11 A G H 3> S+ 0 0 18 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.829 78.8 54.3 -56.4 -39.6 0.5 53.1 63.3 13 12 A K H 34 S+ 0 0 66 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.818 115.6 40.6 -67.5 -26.1 -3.1 54.1 64.2 14 13 A V H X4 S+ 0 0 0 -3,-1.2 3,-2.2 -4,-0.1 4,-0.4 0.841 105.0 64.1 -89.3 -36.1 -3.7 50.6 65.7 15 14 A E H >< S+ 0 0 34 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.881 97.5 58.5 -51.2 -44.0 -0.3 50.4 67.5 16 15 A G T 3< S+ 0 0 23 -4,-1.6 82,-0.3 1,-0.2 -1,-0.3 0.474 104.9 52.2 -69.0 -0.8 -1.3 53.4 69.6 17 16 A C T < S+ 0 0 0 -3,-2.2 15,-3.4 81,-0.1 2,-0.4 0.440 82.5 109.6-108.5 -5.0 -4.4 51.4 70.8 18 17 A M E < +K 31 0C 14 -3,-1.4 2,-0.3 -4,-0.4 13,-0.2 -0.647 37.1 159.9 -84.9 134.4 -2.7 48.2 72.0 19 18 A V E -K 30 0C 1 11,-2.3 11,-2.3 -2,-0.4 2,-0.4 -0.816 36.7-109.3-136.7 175.1 -2.5 47.4 75.7 20 19 A Q E -KL 29 70C 31 50,-2.7 50,-2.3 -2,-0.3 2,-0.4 -0.904 25.0-163.8-107.9 139.3 -2.0 44.3 78.0 21 20 A V E -KL 28 69C 0 7,-2.6 7,-2.3 -2,-0.4 2,-0.4 -0.994 6.4-173.4-125.6 131.8 -4.8 42.9 80.1 22 21 A T E +KL 27 68C 22 46,-2.5 46,-2.7 -2,-0.4 2,-0.4 -0.976 11.9 172.0-126.9 135.3 -4.1 40.5 83.0 23 22 A C E > S-KL 26 67C 4 3,-2.3 3,-2.1 -2,-0.4 2,-0.2 -0.960 71.1 -40.6-140.4 119.0 -6.6 38.6 85.1 24 23 A G T 3 S- 0 0 68 42,-0.5 20,-0.1 -2,-0.4 22,-0.0 -0.428 124.9 -24.8 62.8-122.6 -5.1 36.0 87.5 25 24 A T T 3 S+ 0 0 144 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.042 116.9 100.4-106.3 19.6 -2.3 34.2 85.6 26 25 A T E < +K 23 0C 44 -3,-2.1 -3,-2.3 17,-0.2 2,-0.4 -0.949 46.7 179.4-111.0 126.2 -3.8 34.9 82.1 27 26 A T E +K 22 0C 49 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.981 13.5 143.7-123.4 136.8 -2.3 37.8 80.0 28 27 A L E -K 21 0C 5 -7,-2.3 -7,-2.6 -2,-0.4 2,-0.3 -0.810 46.7 -73.6-150.8-170.5 -3.4 38.8 76.6 29 28 A N E -K 20 0C 0 117,-2.5 2,-0.3 -2,-0.2 -9,-0.2 -0.723 36.4-168.6 -97.7 149.3 -3.9 41.9 74.4 30 29 A G E -K 19 0C 0 -11,-2.3 -11,-2.3 -2,-0.3 2,-0.5 -0.903 21.3-125.8-129.2 162.1 -6.6 44.5 74.6 31 30 A L E -KM 18 38C 0 7,-2.5 7,-2.4 -2,-0.3 2,-0.7 -0.952 21.4-156.7-111.2 119.5 -7.7 47.4 72.4 32 31 A W E + M 0 37C 26 -15,-3.4 2,-0.5 -2,-0.5 5,-0.2 -0.830 20.0 166.1-106.9 107.8 -7.9 50.8 74.1 33 32 A L E > - M 0 36C 1 3,-2.6 3,-2.3 -2,-0.7 2,-0.1 -0.989 65.6 -41.8-124.5 123.9 -10.2 53.3 72.5 34 33 A D T 3 S- 0 0 70 62,-0.5 62,-1.5 -2,-0.5 64,-0.1 -0.402 125.6 -24.6 55.1-120.6 -11.2 56.5 74.4 35 34 A D T 3 S+ 0 0 64 60,-0.2 57,-2.6 -2,-0.1 2,-0.4 0.136 121.3 88.3-112.1 20.1 -11.8 55.2 77.9 36 35 A T E < -MN 33 91C 9 -3,-2.3 -3,-2.6 55,-0.2 2,-0.5 -0.947 55.3-158.3-122.8 138.3 -12.7 51.6 77.1 37 36 A V E -MN 32 90C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.977 12.1-159.4-112.9 126.4 -10.4 48.5 76.7 38 37 A Y E +MN 31 89C 12 -7,-2.4 -7,-2.5 -2,-0.5 51,-0.2 -0.894 23.2 150.6-105.0 134.8 -11.8 45.6 74.7 39 38 A C E - N 0 88C 0 49,-1.8 49,-3.0 -2,-0.4 -9,-0.1 -0.983 51.8 -75.8-156.4 161.7 -10.4 42.0 75.1 40 39 A P E > - N 0 87C 0 0, 0.0 3,-1.4 0, 0.0 47,-0.3 -0.361 38.8-131.8 -62.2 141.0 -11.5 38.4 74.8 41 40 A R G > S+ 0 0 42 45,-2.3 3,-2.2 1,-0.3 4,-0.1 0.751 96.6 78.1 -69.4 -20.9 -13.7 37.3 77.7 42 41 A H G > + 0 0 31 44,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.565 67.8 88.7 -72.4 -0.1 -11.7 34.1 78.3 43 42 A V G < S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.2 -20,-0.2 0.828 86.0 55.7 -54.8 -28.8 -9.1 36.2 80.0 44 43 A I G < S+ 0 0 8 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.2 0.571 92.5 104.0 -83.8 -5.5 -11.2 35.6 83.1 45 44 A C < - 0 0 9 -3,-1.5 2,-0.2 -4,-0.1 -22,-0.1 -0.557 58.9-146.1 -91.8 137.6 -11.0 31.8 82.8 46 45 A T > - 0 0 81 -2,-0.3 4,-1.0 1,-0.1 5,-0.1 -0.452 36.2-110.8 -73.4 160.9 -9.1 29.1 84.6 47 46 A A H >> S+ 0 0 91 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.897 126.4 52.2 -64.0 -39.9 -8.0 26.0 82.5 48 47 A E H 34 S+ 0 0 77 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.892 107.3 54.5 -54.7 -41.3 -10.5 24.1 84.5 49 48 A D H 34 S+ 0 0 47 2,-0.2 3,-0.4 1,-0.2 -2,-0.2 0.752 95.4 64.6 -63.5 -25.6 -13.0 26.8 83.5 50 49 A M H << S+ 0 0 40 -4,-1.0 140,-2.9 -3,-0.5 -1,-0.2 0.796 85.7 83.1 -87.1 -31.0 -12.4 26.5 79.8 51 50 A L S < S- 0 0 43 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.806 125.0 -28.2 55.3-127.9 -13.7 23.4 80.4 52 51 A N S S- 0 0 123 -3,-0.4 -2,-0.2 -4,-0.4 -1,-0.2 -0.526 83.7-165.9-142.6 70.5 -17.4 24.3 80.3 53 52 A P - 0 0 16 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.319 21.6-158.5 -71.1 138.2 -17.4 28.0 81.3 54 53 A N > - 0 0 104 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.935 14.0-166.1-104.3 104.4 -20.4 29.9 82.4 55 54 A Y H > S+ 0 0 9 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.831 82.0 55.6 -69.5 -32.9 -19.1 33.4 81.8 56 55 A E H > S+ 0 0 148 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.952 112.1 46.8 -57.1 -46.5 -21.9 35.3 83.7 57 56 A D H > S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.942 114.5 44.9 -60.6 -49.4 -21.0 33.2 86.7 58 57 A L H < S+ 0 0 15 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.896 115.4 48.9 -64.4 -37.5 -17.2 33.7 86.3 59 58 A L H >< S+ 0 0 16 -4,-2.9 3,-2.7 1,-0.2 -2,-0.2 0.909 100.6 60.6 -71.2 -41.2 -17.6 37.4 85.7 60 59 A I H 3< S+ 0 0 134 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.761 100.5 59.6 -61.8 -22.5 -19.9 38.2 88.6 61 60 A R T 3< S+ 0 0 162 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.3 0.441 95.1 82.5 -81.9 -5.3 -17.0 36.9 90.8 62 61 A K < - 0 0 61 -3,-2.7 2,-0.2 -4,-0.1 -18,-0.0 -0.739 58.7-163.0 -86.2 148.3 -14.6 39.6 89.5 63 62 A S > - 0 0 35 -2,-0.3 3,-1.3 17,-0.0 4,-0.3 -0.708 41.0 -96.2 -93.1-179.2 -14.2 43.1 90.5 64 63 A N G > S+ 0 0 53 1,-0.3 3,-1.8 -2,-0.2 14,-0.3 0.894 124.9 59.1 -50.1 -46.3 -12.5 46.0 88.8 65 64 A H G 3 S+ 0 0 173 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.646 90.2 72.1 -65.2 -14.1 -9.4 45.3 90.9 66 65 A S G < S+ 0 0 30 -3,-1.3 -42,-0.5 -43,-0.1 2,-0.5 0.679 88.5 74.9 -69.7 -19.7 -9.2 41.8 89.3 67 66 A F E < -L 23 0C 5 -3,-1.8 2,-0.7 -4,-0.3 11,-0.4 -0.882 62.0-166.5-105.2 121.4 -8.1 43.3 86.0 68 67 A L E -L 22 0C 55 -46,-2.7 -46,-2.5 -2,-0.5 2,-0.5 -0.931 12.4-176.2-103.4 108.5 -4.6 44.7 85.5 69 68 A V E -LO 21 76C 0 -2,-0.7 7,-3.4 7,-0.6 2,-0.4 -0.952 3.0-175.9-108.3 131.4 -4.5 46.8 82.4 70 69 A Q E -LO 20 75C 43 -50,-2.3 -50,-2.7 -2,-0.5 2,-0.7 -0.992 24.1-162.6-132.8 131.4 -1.1 48.2 81.2 71 70 A A E > S- O 0 74C 25 3,-2.7 3,-2.0 -2,-0.4 2,-0.3 -0.972 86.1 -40.1-106.2 110.1 -0.1 50.6 78.5 72 71 A G T 3 S- 0 0 67 -2,-0.7 -52,-0.1 1,-0.3 -2,-0.0 -0.559 124.4 -32.4 63.7-126.3 3.6 49.9 78.3 73 72 A N T 3 S+ 0 0 147 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.207 117.5 104.9-105.9 13.2 4.6 49.6 82.0 74 73 A V E < -O 71 0C 86 -3,-2.0 -3,-2.7 2,-0.0 2,-0.2 -0.861 68.2-134.6 -99.9 119.4 2.0 52.1 83.1 75 74 A Q E -O 70 0C 123 -2,-0.6 2,-0.6 -5,-0.2 -5,-0.3 -0.529 8.6-151.7 -73.7 135.8 -1.1 50.7 84.8 76 75 A L E -O 69 0C 8 -7,-3.4 -7,-0.6 -2,-0.2 2,-0.2 -0.935 22.9-127.5-104.3 115.0 -4.6 52.0 83.7 77 76 A R - 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0 0 69 -41,-2.8 -39,-0.1 -2,-0.3 -1,-0.1 -0.439 46.9 -97.1 -60.2 141.3 23.3 31.6 44.8 544 241 B P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.347 37.8-125.1 -59.2 140.2 26.5 29.7 45.7 545 242 B L - 0 0 3 -15,-0.2 2,-0.2 -41,-0.1 -11,-0.1 -0.767 28.0-159.3 -88.2 131.5 26.5 28.9 49.4 546 243 B T > - 0 0 61 -2,-0.5 4,-1.8 1,-0.1 3,-0.2 -0.636 32.5-110.3-105.4 165.5 29.6 30.1 51.3 547 244 B Q H > S+ 0 0 122 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.820 120.7 60.0 -62.9 -29.8 31.2 29.0 54.5 548 245 B D H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 103.8 49.0 -62.7 -42.2 30.0 32.4 55.9 549 246 B H H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.900 106.6 55.9 -61.5 -42.0 26.4 31.5 55.1 550 247 B V H < S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.2 3,-0.2 0.930 110.0 47.5 -55.6 -44.7 26.9 28.0 56.9 551 248 B D H >< S+ 0 0 114 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.856 104.6 58.0 -65.0 -38.3 28.0 30.0 60.0 552 249 B I H 3< S+ 0 0 49 -4,-1.8 4,-0.3 1,-0.3 -1,-0.2 0.879 104.7 52.7 -62.9 -33.1 25.1 32.4 59.8 553 250 B L T 3X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.466 81.5 104.0 -79.1 2.0 22.7 29.4 60.0 554 251 B G H <> S+ 0 0 31 -3,-1.7 4,-2.9 1,-0.2 5,-0.2 0.893 75.5 50.0 -53.8 -53.5 24.6 28.2 63.1 555 252 B P H > S+ 0 0 88 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.906 114.7 44.9 -53.9 -43.7 21.9 29.2 65.7 556 253 B L H > S+ 0 0 6 -4,-0.3 4,-2.1 -3,-0.2 6,-0.3 0.879 113.1 50.4 -66.1 -40.9 19.1 27.5 63.6 557 254 B S H X>S+ 0 0 25 -4,-2.6 4,-1.7 2,-0.2 5,-0.9 0.920 113.1 47.1 -63.6 -41.7 21.3 24.4 63.2 558 255 B A H <5S+ 0 0 80 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.930 111.5 50.5 -62.4 -45.8 22.0 24.3 66.9 559 256 B Q H <5S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 121.4 32.2 -63.3 -39.4 18.3 24.8 67.8 560 257 B T H <5S- 0 0 36 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.570 99.5-129.2 -94.3 -15.8 17.1 22.0 65.6 561 258 B G T <5 + 0 0 67 -4,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.715 67.7 128.0 69.2 21.2 20.2 19.7 65.9 562 259 B I < - 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