==== 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 27-APR-06 2GTB . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR T.-W.LEE,M.M.CHERNEY,C.HUITEMA,J.LIU,K.E.JAMES,J.C.POWERS . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 23.3 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 . 26 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 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 2 A G 0 0 114 0, 0.0 2,-0.3 0, 0.0 280,-0.0 0.000 360.0 360.0 360.0 59.9 -10.4 6.7 -2.8 2 3 A F + 0 0 31 279,-0.2 2,-0.3 2,-0.0 297,-0.0 -0.861 360.0 163.5-147.1 117.6 -8.7 5.4 0.5 3 4 A R - 0 0 201 -2,-0.3 2,-0.4 295,-0.0 295,-0.0 -0.825 45.8 -96.4-134.7 154.1 -5.1 3.9 0.2 4 5 A K - 0 0 78 -2,-0.3 2,-0.4 122,-0.0 286,-0.1 -0.660 50.3-170.2 -70.2 131.2 -2.2 3.0 2.4 5 6 A M - 0 0 83 -2,-0.4 2,-0.2 120,-0.0 120,-0.1 -0.993 14.9-145.3-126.8 147.8 0.1 5.9 2.2 6 7 A A - 0 0 34 -2,-0.4 120,-0.1 118,-0.1 3,-0.1 -0.644 30.4-101.7 -94.4 157.4 3.6 6.4 3.3 7 8 A F - 0 0 26 -2,-0.2 -1,-0.1 142,-0.2 106,-0.0 -0.507 52.5 -88.9 -67.9 151.3 5.0 9.7 4.7 8 9 A P - 0 0 100 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.360 42.3-151.2 -57.4 141.6 7.2 11.5 2.2 9 10 A S >> + 0 0 16 1,-0.2 4,-2.7 2,-0.1 3,-0.6 0.427 63.4 104.5-103.4 1.6 10.6 10.0 2.8 10 11 A G H 3> S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.859 79.0 51.3 -55.1 -42.4 13.0 12.8 1.8 11 12 A K H 34 S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.825 115.9 41.9 -64.6 -35.3 14.0 13.9 5.3 12 13 A V H X> S+ 0 0 0 -3,-0.6 3,-2.0 -4,-0.2 4,-0.5 0.801 105.4 66.8 -78.8 -36.0 14.9 10.3 6.3 13 14 A E H >< S+ 0 0 84 -4,-2.7 3,-1.1 1,-0.3 -2,-0.2 0.873 96.6 53.5 -51.6 -41.1 16.6 9.7 3.0 14 15 A G T 3< S+ 0 0 24 -4,-1.3 82,-0.3 1,-0.2 -1,-0.3 0.346 104.0 58.3 -83.0 8.7 19.4 12.2 3.7 15 16 A C T <4 S+ 0 0 0 -3,-2.0 15,-3.4 82,-0.0 2,-0.5 0.457 81.2 110.3-102.8 -5.3 20.1 10.4 7.0 16 17 A M E << +A 29 0A 14 -3,-1.1 2,-0.3 -4,-0.5 54,-0.2 -0.551 39.0 162.0 -85.5 124.2 20.9 7.0 5.4 17 18 A V E -A 28 0A 1 11,-2.5 11,-2.6 -2,-0.5 2,-0.4 -0.786 34.7-118.3-125.0 172.0 24.4 5.7 5.4 18 19 A Q E -AB 27 68A 33 50,-2.4 50,-2.8 -2,-0.3 2,-0.4 -0.904 22.2-164.2-108.5 145.4 26.1 2.4 4.9 19 20 A V E -AB 26 67A 0 7,-2.6 7,-2.4 -2,-0.4 2,-0.4 -0.996 7.3-173.2-134.6 124.2 28.3 0.8 7.7 20 21 A T E +AB 25 66A 18 46,-2.5 46,-3.1 -2,-0.4 2,-0.4 -0.961 12.9 179.4-124.3 135.9 30.7 -2.0 6.9 21 22 A C E > S-AB 24 65A 7 3,-2.7 3,-2.2 -2,-0.4 2,-0.4 -0.994 72.7 -39.7-129.6 127.6 32.8 -4.1 9.3 22 23 A G T 3 S- 0 0 75 42,-0.5 20,-0.1 -2,-0.4 22,-0.0 -0.427 126.8 -25.1 56.8-113.2 34.9 -6.8 7.6 23 24 A T T 3 S+ 0 0 143 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.447 118.7 97.7-108.3 -7.8 32.7 -8.2 4.8 24 25 A T E < +A 21 0A 47 -3,-2.2 -3,-2.7 17,-0.2 2,-0.4 -0.750 48.0 177.9 -93.4 126.3 29.4 -7.2 6.4 25 26 A T E +A 20 0A 37 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.988 7.3 157.1-130.7 133.8 27.6 -4.0 5.4 26 27 A L E -A 19 0A 0 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.3 -0.732 42.1 -79.4-140.3-169.1 24.3 -2.7 6.6 27 28 A N E -A 18 0A 0 117,-2.2 2,-0.3 -9,-0.2 -9,-0.2 -0.688 38.2-172.1 -97.6 147.7 22.4 0.6 6.9 28 29 A G E -A 17 0A 0 -11,-2.6 -11,-2.5 -2,-0.3 2,-0.5 -0.925 22.9-123.1-130.9 167.3 22.9 3.2 9.5 29 30 A L E -AC 16 36A 0 7,-2.8 7,-2.5 -2,-0.3 2,-0.6 -0.955 21.6-154.8-112.7 123.1 21.1 6.4 10.5 30 31 A W E + C 0 35A 21 -15,-3.4 2,-0.4 -2,-0.5 5,-0.2 -0.837 22.9 161.6-102.5 111.9 23.2 9.6 10.5 31 32 A L E > - C 0 34A 1 3,-2.5 3,-2.2 -2,-0.6 -2,-0.0 -0.989 66.3 -35.9-133.5 127.7 22.0 12.4 12.7 32 33 A D T 3 S- 0 0 70 -2,-0.4 62,-2.6 62,-0.3 64,-0.1 -0.480 126.0 -31.0 57.2-131.5 24.2 15.3 13.8 33 34 A D T 3 S+ 0 0 59 60,-0.3 57,-2.8 -3,-0.1 2,-0.4 -0.029 119.4 94.9-109.8 26.1 27.6 13.5 14.3 34 35 A T E < -CD 31 89A 13 -3,-2.2 -3,-2.5 55,-0.2 2,-0.5 -0.931 54.7-156.7-115.6 138.1 26.2 10.1 15.3 35 36 A V E -CD 30 88A 0 53,-2.1 53,-3.2 -2,-0.4 2,-0.4 -0.992 12.1-160.7-107.7 121.7 25.6 6.9 13.2 36 37 A Y E +CD 29 87A 19 -7,-2.5 -7,-2.8 -2,-0.5 51,-0.2 -0.881 25.0 150.0 -92.5 133.9 23.0 4.5 14.7 37 38 A C E - D 0 86A 0 49,-1.5 49,-3.2 -2,-0.4 -9,-0.1 -0.976 52.9 -78.6-159.4 160.1 23.1 0.9 13.4 38 39 A P E > - D 0 85A 0 0, 0.0 3,-1.5 0, 0.0 47,-0.2 -0.471 37.0-132.0 -66.6 134.9 22.4 -2.6 14.6 39 40 A R G > S+ 0 0 34 45,-1.7 3,-1.8 1,-0.2 46,-0.1 0.724 97.0 82.1 -61.0 -17.5 25.3 -3.9 16.7 40 41 A H G > + 0 0 11 44,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.544 65.3 87.1 -68.8 -2.3 25.2 -7.2 14.7 41 42 A V G < S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.2 -20,-0.2 0.846 85.8 58.4 -56.3 -31.3 27.3 -5.4 12.0 42 43 A I G < S+ 0 0 15 -3,-1.8 -1,-0.2 -4,-0.2 2,-0.2 0.609 86.4 102.7 -79.4 -8.8 30.1 -6.6 14.2 43 44 A C < - 0 0 3 -3,-1.5 2,-0.2 -4,-0.1 5,-0.1 -0.539 56.7-149.1 -81.1 141.4 29.3 -10.4 14.0 44 45 A T > - 0 0 88 -2,-0.2 3,-1.4 3,-0.2 -2,-0.0 -0.585 34.8 -98.5 -95.8 168.0 31.1 -13.0 11.8 45 46 A A G > S+ 0 0 83 1,-0.3 3,-0.6 -2,-0.2 4,-0.1 0.733 117.2 55.0 -56.8 -38.0 29.4 -16.0 10.4 46 47 A E G 3 S+ 0 0 163 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.541 111.6 43.4 -84.6 -6.3 30.5 -18.5 13.0 47 48 A D G < + 0 0 60 -3,-1.4 -1,-0.2 1,-0.1 -3,-0.2 -0.277 66.3 108.6-134.4 61.2 29.1 -16.6 15.9 48 49 A M S < S+ 0 0 52 -3,-0.6 140,-2.6 2,-0.1 141,-0.1 0.494 77.8 68.1 -90.8 -9.4 25.7 -15.2 15.1 49 50 A L S S- 0 0 85 138,-0.2 140,-0.1 1,-0.2 -2,-0.1 0.965 123.0 -0.4 -79.0 -54.1 24.5 -17.9 17.6 50 51 A N S S- 0 0 107 137,-0.1 2,-0.3 138,-0.1 -1,-0.2 -0.588 79.4-177.7-134.0 72.4 25.9 -16.5 20.9 51 52 A P - 0 0 15 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.513 22.7-145.2 -69.5 125.0 27.8 -13.2 20.1 52 53 A N > - 0 0 81 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.803 24.7-177.9 -87.3 92.2 29.5 -11.6 23.1 53 54 A Y H > S+ 0 0 6 -2,-1.2 4,-2.7 1,-0.2 5,-0.2 0.863 73.9 52.2 -64.9 -42.6 28.9 -8.1 21.8 54 55 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 114.5 44.7 -66.5 -29.7 30.5 -6.1 24.6 55 56 A D H > S+ 0 0 79 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.890 115.3 47.2 -74.9 -41.8 33.7 -8.2 24.1 56 57 A L H < S+ 0 0 61 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.901 115.0 47.4 -63.8 -44.5 33.6 -8.0 20.3 57 58 A L H >< S+ 0 0 12 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.933 107.3 53.9 -62.3 -51.8 33.0 -4.3 20.5 58 59 A I H 3< S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.787 108.7 50.2 -60.6 -29.3 35.8 -3.5 23.1 59 60 A R T 3< S+ 0 0 212 -4,-1.2 2,-0.4 -5,-0.1 -1,-0.3 0.391 94.2 98.2 -86.6 -0.5 38.5 -5.2 20.9 60 61 A K < - 0 0 42 -3,-1.9 2,-0.2 -4,-0.1 -3,-0.0 -0.733 67.2-137.8 -95.6 141.7 37.4 -3.2 17.7 61 62 A S > - 0 0 65 -2,-0.4 3,-0.9 1,-0.1 4,-0.4 -0.606 22.2-117.1 -94.9 154.5 39.2 -0.1 16.6 62 63 A N G > S+ 0 0 59 1,-0.2 3,-1.4 -2,-0.2 14,-0.2 0.857 115.2 60.5 -48.3 -39.6 37.5 3.0 15.3 63 64 A H G 3 S+ 0 0 161 1,-0.3 -1,-0.2 12,-0.1 13,-0.0 0.736 88.2 69.3 -69.5 -26.3 39.1 2.3 12.0 64 65 A S G < S+ 0 0 41 -3,-0.9 2,-0.7 -43,-0.1 -42,-0.5 0.671 84.1 82.3 -61.9 -19.7 37.4 -1.1 11.5 65 66 A F E < -B 21 0A 1 -3,-1.4 2,-0.8 -4,-0.4 11,-0.4 -0.810 66.6-164.5 -94.6 112.3 34.1 0.7 11.0 66 67 A L E -B 20 0A 61 -46,-3.1 -46,-2.5 -2,-0.7 2,-0.5 -0.883 9.7-173.5 -98.7 113.8 33.8 1.9 7.4 67 68 A V E -BE 19 74A 0 -2,-0.8 7,-2.9 7,-0.6 2,-0.4 -0.918 1.7-174.5-113.1 126.6 31.0 4.4 7.2 68 69 A Q E -BE 18 73A 50 -50,-2.8 -50,-2.4 -2,-0.5 2,-0.7 -0.969 21.3-168.4-129.1 128.7 29.9 5.9 3.9 69 70 A A E > S- E 0 72A 24 3,-2.4 3,-1.5 -2,-0.4 2,-0.4 -0.903 81.4 -46.4-103.8 99.1 27.4 8.6 3.0 70 71 A G T 3 S- 0 0 64 -2,-0.7 -52,-0.1 1,-0.3 50,-0.0 -0.650 123.9 -25.3 72.5-124.4 27.1 8.1 -0.8 71 72 A N T 3 S+ 0 0 152 -2,-0.4 2,-0.7 2,-0.1 -1,-0.3 0.309 120.6 100.4 -90.7 2.1 30.7 7.8 -2.1 72 73 A V E < -E 69 0A 81 -3,-1.5 -3,-2.4 2,-0.0 2,-0.1 -0.853 65.8-140.5-111.5 115.2 32.0 9.7 0.8 73 74 A Q E -E 68 0A 95 -2,-0.7 2,-0.5 -5,-0.2 -5,-0.3 -0.409 7.3-154.3 -64.6 142.1 33.7 8.0 3.8 74 75 A L E -E 67 0A 6 -7,-2.9 -7,-0.6 -2,-0.1 2,-0.1 -0.991 22.2-127.6-118.1 114.8 32.9 9.5 7.2 75 76 A R - 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