==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-NOV-10 3PP9 . COMPND 2 MOLECULE: PUTATIVE STREPTOTHRICIN ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR A.S.HALAVATY,Z.WAWRZAK,O.ONOPRIYENKO,A.EDWARDS,A.SAVCHENKO, . 523 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 42 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 3 3 0 6 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 1 0 0 0 0 0 0 1 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 S 0 0 165 0, 0.0 75,-0.1 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 178.0 37.8 32.7 33.6 2 3 A L - 0 0 31 73,-0.1 2,-0.4 74,-0.1 73,-0.2 -0.186 360.0-157.0 -54.2 139.6 36.8 32.8 30.0 3 4 A L E -A 74 0A 87 71,-2.6 71,-3.4 2,-0.0 2,-0.5 -0.986 5.9-164.5-124.2 132.5 34.2 35.4 28.8 4 5 A I E +A 73 0A 17 -2,-0.4 2,-0.3 69,-0.2 69,-0.2 -0.971 27.3 150.6-113.5 122.3 32.0 35.0 25.7 5 6 A R E -A 72 0A 64 67,-2.0 67,-2.8 -2,-0.5 2,-0.1 -0.984 48.5 -79.8-149.2 163.5 30.3 38.3 24.6 6 7 A E E -A 71 0A 92 -2,-0.3 65,-0.3 65,-0.2 2,-0.1 -0.371 53.0-105.0 -64.9 137.7 29.1 40.1 21.5 7 8 A L - 0 0 6 63,-2.9 2,-0.3 55,-0.1 63,-0.2 -0.348 37.7-158.3 -62.8 141.3 31.6 41.8 19.3 8 9 A E >> - 0 0 98 1,-0.1 3,-2.1 55,-0.1 4,-0.5 -0.868 29.5-115.3-122.5 154.0 31.8 45.6 19.6 9 10 A T G >4 S+ 0 0 81 -2,-0.3 3,-1.8 1,-0.3 4,-0.3 0.908 116.4 60.8 -52.7 -43.1 33.1 48.3 17.2 10 11 A N G 34 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.609 97.2 60.5 -64.1 -11.4 35.7 49.1 19.8 11 12 A D G X4 S+ 0 0 11 -3,-2.1 3,-0.7 1,-0.2 -1,-0.3 0.650 79.7 88.7 -86.9 -18.5 37.1 45.5 19.6 12 13 A L T << S+ 0 0 44 -3,-1.8 3,-0.3 -4,-0.5 -1,-0.2 0.775 93.6 37.2 -53.6 -35.2 38.0 45.8 15.8 13 14 A D T 3 S+ 0 0 158 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.621 113.0 57.6 -91.8 -15.6 41.5 47.1 16.3 14 15 A N S < S+ 0 0 118 -3,-0.7 65,-0.4 -4,-0.2 -2,-0.2 0.206 79.2 119.0 -94.6 12.7 42.2 45.0 19.4 15 16 A F - 0 0 29 -3,-0.3 3,-0.1 -4,-0.2 -3,-0.0 -0.717 55.2-151.4 -87.8 112.7 41.5 42.0 17.3 16 17 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.206 28.4 -83.7 -80.0 170.3 44.6 39.8 17.2 17 18 A E - 0 0 195 2,-0.0 2,-0.5 84,-0.0 84,-0.0 -0.639 49.1-160.7 -71.3 124.2 45.9 37.4 14.6 18 19 A I - 0 0 29 -2,-0.4 2,-0.9 -3,-0.1 62,-0.1 -0.961 16.3-129.9-114.0 130.1 44.1 34.2 15.3 19 20 A D + 0 0 55 -2,-0.5 83,-1.4 1,-0.2 81,-0.1 -0.715 33.4 167.7 -81.3 104.5 45.5 30.9 14.0 20 21 A D + 0 0 28 -2,-0.9 33,-1.0 81,-0.2 -1,-0.2 0.205 36.5 120.6-100.5 13.5 42.6 29.2 12.2 21 22 A S E -G 52 0B 14 31,-0.2 2,-0.3 32,-0.1 31,-0.3 -0.401 38.8-178.3 -76.2 156.8 44.8 26.6 10.5 22 23 A F E -G 51 0B 18 29,-2.6 29,-2.3 -2,-0.1 2,-0.6 -0.955 28.7-106.0-149.9 162.6 44.3 22.9 11.1 23 24 A I E -G 50 0B 95 -2,-0.3 2,-0.6 27,-0.2 27,-0.2 -0.872 21.3-149.0 -99.4 124.3 45.8 19.6 10.1 24 25 A V E +G 49 0B 1 25,-3.3 25,-1.7 -2,-0.6 113,-0.1 -0.803 34.5 151.9 -88.1 119.2 44.0 17.4 7.6 25 26 A N E + 0 0 83 -2,-0.6 21,-1.5 1,-0.3 2,-0.3 0.404 63.1 5.1-128.3 -2.8 44.8 13.8 8.6 26 27 A A E -G 45 0B 3 110,-0.4 112,-0.5 19,-0.3 2,-0.3 -0.948 62.2-134.6-166.2 175.2 41.8 12.0 7.4 27 28 A R E -G 44 0B 79 17,-2.3 17,-2.7 -2,-0.3 2,-0.3 -0.989 23.3-109.4-146.4 150.3 38.5 12.3 5.6 28 29 A L E -G 43 0B 2 107,-2.4 2,-0.6 -2,-0.3 15,-0.2 -0.622 22.3-153.6 -79.5 140.3 34.9 11.2 6.1 29 30 A X E -G 42 0B 67 13,-2.9 13,-1.6 -2,-0.3 2,-0.2 -0.979 21.1-143.7-113.7 116.3 33.5 8.6 3.7 30 31 A L E +G 41 0B 34 -2,-0.6 2,-0.3 11,-0.2 11,-0.2 -0.575 22.8 172.9 -92.3 149.7 29.8 8.9 3.4 31 32 A S E -G 40 0B 55 9,-2.3 9,-2.5 -2,-0.2 2,-0.5 -0.960 23.2-136.3-143.4 158.9 27.0 6.4 3.1 32 33 A L E -G 39 0B 102 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.962 17.2-154.7-124.5 112.9 23.2 6.5 3.1 33 34 A S - 0 0 24 5,-2.9 4,-0.1 -2,-0.5 -2,-0.0 -0.401 20.5-130.6 -80.8 163.8 21.3 3.9 5.0 34 35 A K S S+ 0 0 199 3,-0.1 2,-0.7 2,-0.1 3,-0.2 0.531 86.0 92.2 -90.6 -9.3 17.7 2.9 4.1 35 36 A V S > S- 0 0 114 1,-0.2 3,-1.5 3,-0.2 -2,-0.2 -0.807 115.4 -28.0 -93.9 110.5 16.7 3.3 7.8 36 37 A N T 3 S- 0 0 139 -2,-0.7 -1,-0.2 1,-0.3 3,-0.2 0.758 103.8 -80.3 55.7 32.4 15.4 6.9 8.4 37 38 A R T 3 S+ 0 0 215 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.824 75.2 179.6 47.4 36.9 17.5 8.3 5.6 38 39 A R < - 0 0 158 -3,-1.5 -5,-2.9 -6,-0.1 2,-0.6 -0.539 21.7-146.1 -75.7 124.9 20.4 8.2 8.0 39 40 A I E -G 32 0B 25 112,-0.5 112,-0.3 -2,-0.4 2,-0.2 -0.818 24.7-177.2 -91.2 124.8 23.7 9.4 6.6 40 41 A E E -G 31 0B 87 -9,-2.5 -9,-2.3 -2,-0.6 2,-0.3 -0.682 6.0-164.5-117.9 171.2 26.6 7.5 8.0 41 42 A Y E -G 30 0B 44 -2,-0.2 2,-0.3 -11,-0.2 -11,-0.2 -0.986 14.6-154.6-154.0 162.5 30.3 7.7 7.7 42 43 A T E -G 29 0B 91 -13,-1.6 -13,-2.9 -2,-0.3 2,-0.4 -0.902 29.2-119.3-131.0 157.5 33.6 6.0 8.2 43 44 A V E -G 28 0B 65 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.874 24.8-170.1-104.9 133.9 36.9 7.8 8.6 44 45 A E E -G 27 0B 86 -17,-2.7 -17,-2.3 -2,-0.4 2,-0.0 -0.989 23.0-122.8-124.0 130.2 39.8 7.1 6.2 45 46 A D E -G 26 0B 135 -2,-0.4 -19,-0.3 -19,-0.2 -20,-0.0 -0.386 29.7-173.7 -68.2 149.4 43.4 8.4 6.8 46 47 A V E - 0 0 34 -21,-1.5 3,-0.1 90,-0.1 2,-0.0 -0.946 42.0 -78.4-137.9 154.0 44.9 10.6 4.1 47 48 A P E - 0 0 119 0, 0.0 -21,-0.1 0, 0.0 -23,-0.1 -0.362 64.9-110.4 -53.7 131.1 48.4 12.0 3.7 48 49 A S E + 0 0 84 -23,-0.1 2,-0.3 -25,-0.1 -23,-0.2 -0.281 46.3 157.6 -75.7 151.3 48.5 14.9 6.2 49 50 A Y E -G 24 0B 103 -25,-1.7 -25,-3.3 -3,-0.1 2,-0.4 -0.969 33.9-116.2-159.3 162.0 48.7 18.6 5.4 50 51 A E E +G 23 0B 118 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.851 32.8 169.0-107.8 142.9 47.9 21.9 7.0 51 52 A K E -G 22 0B 51 -29,-2.3 -29,-2.6 -2,-0.4 2,-0.3 -0.979 31.1-120.7-147.7 158.2 45.3 24.4 5.7 52 53 A S E -G 21 0B 64 -2,-0.3 -31,-0.2 -31,-0.3 -33,-0.0 -0.789 16.6-137.7 -98.9 143.3 43.6 27.5 6.9 53 54 A Y 0 0 79 -33,-1.0 -1,-0.1 -2,-0.3 -32,-0.1 0.943 360.0 360.0 -63.5 -47.1 39.8 27.6 7.2 54 55 A L 0 0 120 -3,-0.1 -2,-0.2 -34,-0.0 43,-0.0 0.570 360.0 360.0-106.4 360.0 39.7 31.0 5.6 55 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 56 61 A E 0 0 235 0, 0.0 2,-0.6 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 146.5 35.7 37.2 2.5 57 62 A L + 0 0 48 39,-0.0 2,-0.6 4,-0.0 -3,-0.0 -0.799 360.0 179.5 -92.6 115.8 34.9 37.7 6.3 58 63 A V > - 0 0 63 -2,-0.6 3,-1.7 1,-0.1 4,-0.2 -0.951 16.8-156.1-117.2 108.2 34.6 41.3 7.4 59 64 A Y G > S+ 0 0 59 -2,-0.6 3,-2.4 1,-0.3 4,-0.2 0.846 88.4 65.3 -54.0 -38.9 33.8 41.5 11.1 60 65 A N G > S+ 0 0 93 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.753 88.9 68.4 -58.1 -24.4 32.3 45.0 10.8 61 66 A E G < S+ 0 0 97 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.626 99.4 51.5 -69.2 -12.2 29.5 43.6 8.7 62 67 A Y G < S+ 0 0 23 -3,-2.4 3,-0.4 -4,-0.2 2,-0.4 0.310 86.1 101.6-107.8 4.7 28.2 41.7 11.8 63 68 A I S < S+ 0 0 25 -3,-1.3 -55,-0.1 1,-0.2 6,-0.1 -0.777 91.9 1.1 -95.7 131.9 28.1 44.6 14.2 64 69 A N S S+ 0 0 149 -2,-0.4 -1,-0.2 1,-0.2 5,-0.1 0.944 93.8 138.1 61.4 55.2 24.7 46.2 14.9 65 70 A K - 0 0 108 3,-0.4 3,-0.4 -3,-0.4 -1,-0.2 -0.984 52.9-141.6-130.5 140.6 22.6 43.8 12.8 66 71 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.927 98.7 28.4 -67.5 -39.4 19.3 42.3 13.6 67 72 A N S S+ 0 0 89 20,-0.1 20,-1.3 26,-0.0 2,-0.3 0.148 116.8 49.5-112.5 15.8 20.0 38.9 12.0 68 73 A Q E + B 0 86A 43 -3,-0.4 -3,-0.4 18,-0.2 2,-0.3 -0.984 57.6 163.2-149.4 154.6 23.7 38.3 12.2 69 74 A I E - B 0 85A 8 16,-2.1 16,-2.9 -2,-0.3 2,-0.4 -0.983 27.0-135.5-164.8 159.3 26.3 38.6 14.9 70 75 A I E - B 0 84A 0 -8,-0.4 -63,-2.9 -2,-0.3 2,-0.4 -0.992 14.6-162.7-123.9 132.5 29.7 37.7 16.1 71 76 A Y E -AB 6 83A 14 12,-2.3 12,-2.3 -2,-0.4 2,-0.3 -0.960 10.8-154.6-111.3 138.2 30.6 36.4 19.6 72 77 A I E -AB 5 82A 0 -67,-2.8 -67,-2.0 -2,-0.4 2,-0.6 -0.854 9.9-136.6-111.8 148.8 34.2 36.6 20.8 73 78 A A E -AB 4 81A 0 8,-2.8 7,-2.8 -2,-0.3 8,-0.9 -0.923 22.4-164.1-103.7 122.6 35.9 34.4 23.4 74 79 A L E +AB 3 79A 32 -71,-3.4 -71,-2.6 -2,-0.6 2,-0.4 -0.925 14.9 167.4-113.6 130.6 38.1 36.4 25.8 75 80 A L E > S- B 0 78A 49 3,-2.5 3,-1.5 -2,-0.5 -73,-0.1 -0.997 71.6 -9.9-140.6 134.1 40.8 34.9 28.1 76 81 A H T 3 S- 0 0 97 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.883 129.6 -51.6 40.2 54.5 43.5 36.9 30.0 77 82 A N T 3 S+ 0 0 166 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.650 118.6 102.9 63.3 22.1 42.7 40.1 28.1 78 83 A Q E < S-B 75 0A 97 -3,-1.5 -3,-2.5 -63,-0.0 2,-0.6 -0.985 74.7-119.9-138.8 143.2 42.9 38.5 24.7 79 84 A I E +B 74 0A 10 -65,-0.4 -5,-0.2 -2,-0.4 3,-0.1 -0.705 35.6 168.9 -77.1 119.9 40.5 37.4 22.0 80 85 A I E - 0 0 1 -7,-2.8 21,-3.2 -2,-0.6 2,-0.3 0.347 60.4 -2.1-114.2 0.2 41.2 33.6 21.6 81 86 A G E -BC 73 100A 0 -8,-0.9 -8,-2.8 19,-0.3 2,-0.3 -0.966 57.1-167.1-177.8 166.7 38.3 32.5 19.5 82 87 A F E -BC 72 99A 6 17,-2.4 17,-2.5 -2,-0.3 2,-0.4 -0.982 12.9-142.5-162.0 162.1 35.0 33.7 17.8 83 88 A I E -BC 71 98A 0 -12,-2.3 -12,-2.3 -2,-0.3 2,-0.5 -0.997 11.6-153.4-135.8 134.6 31.9 32.5 16.1 84 89 A V E -BC 70 97A 0 13,-3.1 12,-2.2 -2,-0.4 13,-1.1 -0.946 21.2-179.3-111.2 123.3 30.1 34.2 13.2 85 90 A L E +BC 69 95A 0 -16,-2.9 -16,-2.1 -2,-0.5 2,-0.3 -0.925 13.0 172.7-129.1 148.9 26.4 33.7 12.8 86 91 A K E -BC 68 94A 60 8,-1.8 8,-2.9 -2,-0.3 2,-0.6 -0.902 38.1-106.8-141.3 165.6 23.6 34.7 10.5 87 92 A K E - C 0 93A 76 -20,-1.3 6,-0.2 -2,-0.3 2,-0.1 -0.903 41.2-144.7 -95.2 127.4 19.9 33.8 10.1 88 93 A N > - 0 0 21 4,-3.1 3,-2.0 -2,-0.6 6,-0.0 -0.376 25.4-101.4 -89.1 167.8 19.4 31.5 7.1 89 94 A W T 3 S+ 0 0 225 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.764 122.1 55.5 -58.4 -27.4 16.5 31.3 4.6 90 95 A N T 3 S- 0 0 44 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.210 121.1-107.4 -91.5 15.1 15.2 28.2 6.3 91 96 A N S < S+ 0 0 85 -3,-2.0 37,-0.3 1,-0.3 -2,-0.1 0.214 79.2 126.5 79.5 -10.1 15.0 30.1 9.7 92 97 A Y - 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