==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-NOV-12 4HUR . COMPND 2 MOLECULE: VIRGINIAMYCIN A ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.J.STOGIOS,G.MINASOV,E.EVDOKIMOVA,Z.WAWRZAK,V.YIM,M.KRISHNA . 632 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 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 . 76 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 0 0 0 1 1 0 4 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 24 6 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 3 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 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 7 A H 0 0 165 0, 0.0 307,-0.2 0, 0.0 306,-0.1 0.000 360.0 360.0 360.0 138.9 -11.5 -42.8 3.4 2 8 A G - 0 0 16 305,-2.7 305,-0.1 303,-0.1 304,-0.0 -0.498 360.0 -43.1 104.7 176.5 -11.5 -40.5 0.4 3 9 A P - 0 0 7 0, 0.0 303,-0.1 0, 0.0 302,-0.0 -0.198 59.3 -99.4 -75.6 166.1 -9.2 -37.6 -0.5 4 10 A D > - 0 0 85 1,-0.1 3,-2.3 6,-0.1 -2,-0.0 -0.795 24.3-148.1 -83.6 118.1 -8.0 -34.9 1.8 5 11 A P T 3 S+ 0 0 18 0, 0.0 29,-0.2 0, 0.0 -1,-0.1 0.560 98.2 62.1 -65.9 -6.8 -10.3 -31.8 1.1 6 12 A E T 3 S+ 0 0 149 15,-0.1 2,-0.6 27,-0.1 -2,-0.0 0.445 79.8 103.2 -91.5 -5.8 -7.2 -29.7 1.9 7 13 A N < - 0 0 70 -3,-2.3 12,-0.4 1,-0.2 0, 0.0 -0.695 58.5-160.5 -80.2 120.2 -5.3 -31.2 -1.0 8 14 A I S S+ 0 0 75 -2,-0.6 11,-1.8 1,-0.3 -1,-0.2 0.931 89.6 31.4 -65.3 -44.9 -5.2 -28.7 -3.9 9 15 A L S S+ 0 0 71 9,-0.2 -1,-0.3 1,-0.1 9,-0.1 -0.782 70.5 165.8-117.6 86.5 -4.4 -31.4 -6.5 10 16 A P + 0 0 10 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.593 54.6 78.5 -81.5 -14.4 -6.1 -34.6 -5.2 11 17 A I S > S- 0 0 30 6,-0.4 3,-1.0 3,-0.3 6,-0.1 -0.885 77.1-138.2-102.4 124.5 -5.9 -36.7 -8.5 12 18 A K T 3 S+ 0 0 216 -2,-0.6 -1,-0.1 1,-0.3 293,-0.0 0.844 97.0 28.7 -50.2 -56.4 -2.4 -38.2 -9.1 13 19 A G T 3 S+ 0 0 73 2,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.638 103.3 100.3 -79.5 -10.0 -1.9 -37.6 -12.8 14 20 A N < + 0 0 47 -3,-1.0 -3,-0.3 1,-0.1 -1,-0.0 -0.650 33.7 166.7 -97.5 122.4 -4.1 -34.5 -12.9 15 21 A R S S+ 0 0 199 -2,-0.5 -1,-0.1 1,-0.1 26,-0.0 0.437 79.3 54.1-101.9 -3.1 -2.7 -31.0 -12.9 16 22 A N S S+ 0 0 53 1,-0.1 23,-2.0 24,-0.1 2,-0.6 0.809 85.4 79.7-101.0 -38.0 -6.0 -29.4 -13.9 17 23 A L E +A 38 0A 4 21,-0.3 -6,-0.4 -6,-0.1 2,-0.4 -0.656 61.7 179.9 -82.3 118.7 -8.6 -30.6 -11.4 18 24 A Q E -A 37 0A 16 19,-2.6 19,-2.7 -2,-0.6 2,-0.4 -0.949 34.7-123.6-123.2 138.9 -8.3 -28.6 -8.1 19 25 A F E -A 36 0A 1 -11,-1.8 4,-0.3 -12,-0.4 17,-0.3 -0.679 31.2-147.8 -70.2 127.9 -10.2 -28.7 -4.9 20 26 A I S >> S+ 0 0 0 15,-2.7 3,-2.8 -2,-0.4 4,-0.9 0.960 80.5 63.8 -69.6 -54.0 -11.4 -25.1 -4.6 21 27 A K G >4 S+ 0 0 103 11,-0.5 3,-1.0 14,-0.5 -1,-0.2 0.818 101.6 49.1 -43.5 -50.2 -11.4 -24.3 -0.9 22 28 A P G 34 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.591 108.6 55.3 -72.3 -6.1 -7.7 -24.6 -0.3 23 29 A T G <4 S+ 0 0 22 -3,-2.8 2,-0.3 -4,-0.3 -2,-0.2 0.597 80.1 112.3 -94.1 -14.1 -6.8 -22.4 -3.3 24 30 A I << + 0 0 37 -3,-1.0 7,-0.0 -4,-0.9 -3,-0.0 -0.420 27.4 159.5 -67.1 122.1 -9.0 -19.5 -2.0 25 31 A T + 0 0 104 -2,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.508 50.4 84.5-114.2 -13.2 -6.8 -16.5 -1.0 26 32 A N S > S- 0 0 74 1,-0.1 3,-0.5 3,-0.0 2,-0.2 -0.472 74.1-117.0 -95.7 163.1 -9.5 -13.8 -1.3 27 33 A E T 3 S+ 0 0 108 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.524 94.1 33.8 -88.0 160.5 -12.2 -12.5 1.0 28 34 A N T 3 S+ 0 0 41 -2,-0.2 32,-2.8 1,-0.1 2,-0.4 0.680 90.3 107.1 65.7 19.1 -15.9 -12.8 0.2 29 35 A I E < -g 60 0B 7 -3,-0.5 2,-0.6 30,-0.2 32,-0.2 -0.930 46.3-179.7-124.7 106.0 -15.4 -16.1 -1.6 30 36 A L E +g 61 0B 94 30,-3.0 32,-3.5 -2,-0.4 2,-0.4 -0.922 4.3 171.9-113.6 115.4 -16.8 -19.0 0.5 31 37 A V E -g 62 0B 12 -2,-0.6 32,-0.2 30,-0.2 33,-0.1 -0.983 23.6-130.7-130.8 128.9 -16.4 -22.5 -0.9 32 38 A G > - 0 0 15 30,-1.8 3,-1.0 31,-1.0 -11,-0.5 -0.173 37.1 -79.4 -74.8 165.7 -17.2 -25.8 0.8 33 39 A E T 3 S+ 0 0 61 1,-0.2 32,-1.7 31,-0.1 33,-0.2 -0.215 109.5 19.1 -61.8 152.3 -15.1 -28.9 1.0 34 40 A Y T 3 S+ 0 0 17 1,-0.2 2,-0.3 -29,-0.2 -1,-0.2 0.232 86.7 131.4 70.3 -12.2 -14.8 -31.4 -1.9 35 41 A S < - 0 0 1 -3,-1.0 -15,-2.7 28,-0.2 -14,-0.5 -0.551 40.8-167.0 -69.7 131.1 -16.1 -28.8 -4.3 36 42 A Y E -Ab 19 67A 11 30,-2.5 32,-2.2 -2,-0.3 2,-0.5 -0.867 25.8-148.6-127.2 155.7 -13.7 -28.8 -7.3 37 43 A Y E -Ab 18 68A 0 -19,-2.7 -19,-2.6 -2,-0.3 2,-1.2 -0.988 12.2-152.4-119.8 119.8 -12.9 -26.8 -10.4 38 44 A D E -A 17 0A 41 30,-2.2 -21,-0.3 -2,-0.5 -22,-0.1 -0.766 27.8-147.6 -91.7 93.4 -11.6 -28.7 -13.4 39 45 A S - 0 0 3 -23,-2.0 5,-0.1 -2,-1.2 -24,-0.1 -0.205 11.4-135.9 -69.7 149.0 -9.5 -26.0 -15.0 40 46 A K S S- 0 0 82 29,-0.1 -1,-0.1 -24,-0.0 -24,-0.1 0.935 93.9 -5.8 -64.6 -47.2 -9.0 -25.6 -18.7 41 47 A R S S- 0 0 203 -25,-0.1 -26,-0.1 -26,-0.0 -2,-0.0 0.818 120.3 -68.5-120.7 -64.4 -5.3 -25.0 -18.9 42 48 A G S S+ 0 0 43 -26,-0.1 -3,-0.1 2,-0.1 0, 0.0 0.132 80.6 147.5-158.2 24.2 -4.3 -24.7 -15.4 43 49 A E - 0 0 37 1,-0.1 2,-0.2 2,-0.1 -4,-0.1 -0.078 47.2-109.8 -67.6 165.3 -5.9 -21.5 -14.1 44 50 A S > - 0 0 33 1,-0.1 3,-0.7 -5,-0.1 4,-0.4 -0.487 23.0-115.0 -86.0 159.2 -7.0 -21.1 -10.5 45 51 A F G > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.877 115.0 60.0 -58.2 -39.7 -10.7 -20.9 -9.5 46 52 A E G > S+ 0 0 26 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.782 93.5 64.8 -62.6 -29.5 -10.2 -17.3 -8.4 47 53 A D G < S+ 0 0 97 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.713 97.6 57.4 -62.5 -22.1 -9.1 -16.2 -11.9 48 54 A Q G < S+ 0 0 27 -3,-1.7 26,-2.9 -4,-0.4 2,-0.7 0.493 85.7 89.7 -89.9 -6.5 -12.7 -17.1 -13.0 49 55 A V E < -k 74 0C 16 -3,-1.4 3,-0.3 -4,-0.2 2,-0.3 -0.848 65.5-170.6 -97.4 112.5 -14.3 -14.7 -10.5 50 56 A L E +k 75 0C 31 24,-2.9 26,-2.9 -2,-0.7 28,-0.2 -0.764 53.9 11.3-114.7 150.5 -14.6 -11.3 -12.3 51 57 A Y S S+ 0 0 43 -2,-0.3 27,-2.0 1,-0.2 2,-0.8 0.842 77.5 153.9 57.8 37.6 -15.5 -7.8 -11.3 52 58 A H + 0 0 39 -3,-0.3 2,-0.5 25,-0.1 -1,-0.2 -0.839 18.0 178.6-101.3 101.1 -15.2 -8.8 -7.6 53 59 A Y >> - 0 0 120 -2,-0.8 4,-1.6 1,-0.1 3,-1.4 -0.904 33.4-141.7-115.7 132.0 -14.4 -5.6 -5.7 54 60 A E T 34 S+ 0 0 150 -2,-0.5 -1,-0.1 1,-0.3 -26,-0.0 0.811 102.6 60.5 -55.3 -34.3 -14.0 -5.3 -1.9 55 61 A V T 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.773 103.7 50.0 -69.3 -25.5 -15.7 -1.9 -1.9 56 62 A I T <4 S- 0 0 34 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.888 93.3-155.1 -77.0 -41.1 -18.9 -3.5 -3.3 57 63 A G < + 0 0 36 -4,-1.6 -3,-0.1 1,-0.2 -2,-0.1 0.552 35.6 148.6 81.2 8.6 -18.7 -6.2 -0.6 58 64 A D - 0 0 7 -5,-0.4 2,-0.4 53,-0.1 -1,-0.2 -0.357 34.7-138.8 -74.1 159.4 -20.7 -8.8 -2.5 59 65 A K - 0 0 83 -2,-0.1 54,-1.8 -30,-0.0 2,-0.6 -0.913 11.4-144.1-125.6 145.5 -19.9 -12.5 -1.9 60 66 A L E -gh 29 113B 0 -32,-2.8 -30,-3.0 -2,-0.4 2,-0.5 -0.952 27.1-173.5-102.9 118.1 -19.5 -15.6 -3.9 61 67 A I E +gh 30 114B 52 52,-2.8 54,-3.6 -2,-0.6 2,-0.4 -0.963 8.2 174.7-119.2 125.0 -20.8 -18.6 -1.9 62 68 A I E -gh 31 115B 4 -32,-3.5 -30,-1.8 -2,-0.5 54,-0.2 -0.995 17.4-143.8-130.3 134.6 -20.5 -22.2 -3.0 63 69 A G - 0 0 14 53,-1.4 -31,-1.0 52,-1.3 3,-0.4 0.291 36.9 -64.1 -75.7-153.9 -21.5 -25.3 -1.0 64 70 A R S S+ 0 0 86 1,-0.2 54,-2.8 -33,-0.1 55,-0.3 -0.636 104.0 17.6-100.6 156.8 -19.9 -28.7 -0.8 65 71 A F S S+ 0 0 3 -32,-1.7 2,-0.3 -2,-0.2 -1,-0.2 0.808 80.4 157.4 57.6 35.2 -19.4 -31.5 -3.4 66 72 A C - 0 0 0 -3,-0.4 -30,-2.5 52,-0.2 2,-0.6 -0.685 35.6-146.1 -89.8 144.8 -19.9 -29.2 -6.3 67 73 A S E -bc 36 120A 1 52,-3.1 54,-3.8 -2,-0.3 2,-0.6 -0.929 16.3-171.1-112.2 108.7 -18.5 -30.0 -9.8 68 74 A I E -bc 37 121A 1 -32,-2.2 -30,-2.2 -2,-0.6 54,-0.2 -0.874 15.3-138.1-108.2 113.4 -17.5 -26.8 -11.7 69 75 A G > - 0 0 9 52,-2.9 3,-1.5 -2,-0.6 56,-0.1 -0.170 33.1 -77.5 -70.7 161.1 -16.6 -27.3 -15.3 70 76 A P T 3 S+ 0 0 4 0, 0.0 54,-3.1 0, 0.0 -31,-0.2 -0.262 112.8 16.6 -59.4 134.7 -13.7 -25.6 -17.2 71 77 A G T 3 S+ 0 0 11 1,-0.3 2,-0.2 52,-0.2 -2,-0.1 0.498 81.9 151.8 83.2 4.2 -14.1 -22.0 -18.3 72 78 A T < - 0 0 0 -3,-1.5 2,-0.4 52,-0.2 -1,-0.3 -0.497 27.7-161.9 -64.5 132.6 -17.0 -21.4 -15.9 73 79 A T E - l 0 126C 19 52,-2.7 54,-2.7 -2,-0.2 2,-0.6 -0.944 16.0-147.7-125.3 149.0 -17.0 -17.7 -15.0 74 80 A F E -kl 49 127C 0 -26,-2.9 -24,-2.9 -2,-0.4 2,-0.8 -0.953 10.8-156.2-118.3 112.9 -18.6 -15.8 -12.2 75 81 A I E -k 50 0C 6 52,-3.3 -24,-0.2 -2,-0.6 -26,-0.1 -0.800 15.9-163.2 -93.2 109.3 -19.6 -12.2 -13.0 76 82 A M > - 0 0 0 -26,-2.9 3,-1.6 -2,-0.8 -24,-0.1 -0.219 37.4 -85.7 -87.0-177.6 -19.8 -10.2 -9.8 77 83 A N G > S+ 0 0 3 1,-0.3 3,-1.2 2,-0.1 -25,-0.1 0.589 113.1 77.8 -72.1 -11.0 -21.5 -6.9 -9.2 78 84 A G G 3 S+ 0 0 22 -27,-2.0 -1,-0.3 1,-0.2 -27,-0.1 0.617 80.3 74.0 -69.9 -10.2 -18.6 -4.7 -10.4 79 85 A A G < S+ 0 0 20 -3,-1.6 2,-0.4 -28,-0.2 -1,-0.2 0.582 79.3 87.6 -81.8 -11.3 -19.6 -5.5 -14.0 80 86 A N < - 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