==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAR-12 4E8L . COMPND 2 MOLECULE: VIRGINIAMYCIN A ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.J.STOGIOS,G.MINASOV,A.DONG,E.EVDOKIMOVA,V.YIM,M.KRISHNAMOO . 634 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 69.4 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 . 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 . 89 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 12.5 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 1 2 0 1 1 0 4 0 1 1 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 6 A D 0 0 168 0, 0.0 186,-0.0 0, 0.0 185,-0.0 0.000 360.0 360.0 360.0-109.0 -6.7 32.8 12.4 2 7 A H + 0 0 98 519,-0.1 519,-0.2 184,-0.1 518,-0.1 -0.292 360.0 40.9 -61.7 142.1 -8.7 29.7 11.3 3 8 A G S S- 0 0 8 517,-2.6 517,-0.1 516,-0.3 2,-0.0 -0.168 89.7 -71.5 102.7 160.9 -8.9 29.1 7.6 4 9 A P - 0 0 8 0, 0.0 515,-0.1 0, 0.0 514,-0.0 -0.249 55.2 -86.5 -80.8 172.8 -6.3 29.3 4.7 5 10 A D > - 0 0 92 1,-0.1 3,-1.7 6,-0.1 -2,-0.0 -0.751 29.9-152.4 -81.6 116.6 -4.9 32.5 3.1 6 11 A P T 3 S+ 0 0 27 0, 0.0 29,-0.2 0, 0.0 -1,-0.1 0.653 97.0 55.9 -64.5 -15.8 -7.3 33.6 0.4 7 12 A E T 3 S+ 0 0 87 15,-0.1 2,-0.6 16,-0.1 3,-0.1 0.498 82.8 100.9 -93.3 -7.0 -4.3 35.2 -1.4 8 13 A N < - 0 0 70 -3,-1.7 12,-0.4 1,-0.2 0, 0.0 -0.720 63.5-154.6 -80.5 116.9 -2.4 31.9 -1.4 9 14 A I S S+ 0 0 71 -2,-0.6 11,-2.2 1,-0.3 -1,-0.2 0.893 87.8 36.7 -60.4 -45.3 -2.8 30.4 -4.9 10 15 A L + 0 0 54 9,-0.2 -1,-0.3 1,-0.2 9,-0.1 -0.754 68.2 170.3-113.1 84.1 -2.3 26.8 -3.9 11 16 A P + 0 0 10 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.894 67.1 63.7 -63.4 -44.9 -4.0 26.4 -0.5 12 17 A I S > S- 0 0 39 6,-0.3 3,-1.5 1,-0.1 6,-0.1 -0.738 74.8-157.1 -85.5 106.5 -3.8 22.6 -0.3 13 18 A K T 3 S+ 0 0 192 -2,-0.9 -1,-0.1 1,-0.3 -3,-0.0 0.607 92.7 50.0 -66.9 -12.4 -0.1 22.0 -0.3 14 19 A G T 3 S+ 0 0 76 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.664 103.5 74.4 -90.6 -21.2 -0.6 18.4 -1.6 15 20 A N < + 0 0 47 -3,-1.5 -3,-0.0 1,-0.1 0, 0.0 -0.725 46.7 173.8 -99.7 141.9 -2.8 19.7 -4.4 16 21 A R S S+ 0 0 186 -2,-0.3 -1,-0.1 24,-0.1 -3,-0.1 0.319 78.8 53.2-126.0 2.6 -1.5 21.5 -7.5 17 22 A N S S+ 0 0 60 23,-0.1 23,-2.0 1,-0.1 2,-0.6 0.720 87.4 82.4-105.9 -34.0 -4.7 21.7 -9.5 18 23 A L E +A 39 0A 7 21,-0.3 2,-0.4 -6,-0.1 -6,-0.3 -0.646 64.3 179.0 -78.7 117.6 -7.0 23.4 -7.0 19 24 A Q E -A 38 0A 14 19,-2.1 19,-2.9 -2,-0.6 2,-0.6 -0.964 37.4-123.1-127.8 133.7 -6.4 27.1 -7.1 20 25 A F E -A 37 0A 1 -11,-2.2 4,-0.3 -2,-0.4 17,-0.3 -0.666 31.6-149.6 -66.7 117.6 -7.8 30.1 -5.2 21 26 A I S >> S+ 0 0 0 15,-2.4 3,-2.1 -2,-0.6 4,-0.6 0.905 79.1 66.7 -61.7 -48.4 -9.0 32.1 -8.3 22 27 A K G >4 S+ 0 0 65 14,-0.5 3,-1.5 11,-0.4 -1,-0.2 0.848 99.5 46.1 -48.5 -53.9 -8.6 35.6 -7.0 23 28 A P G 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.543 108.7 59.3 -74.3 0.0 -4.8 35.9 -6.6 24 29 A T G <4 S+ 0 0 21 -3,-2.1 -2,-0.2 -4,-0.3 23,-0.1 0.552 78.5 116.0 -95.2 -12.3 -4.3 34.3 -10.1 25 30 A I << + 0 0 41 -3,-1.5 3,-0.0 -4,-0.6 -3,-0.0 -0.326 24.8 155.7 -62.8 135.8 -6.2 37.0 -11.9 26 31 A T + 0 0 114 2,-0.1 -1,-0.2 -2,-0.0 4,-0.0 0.586 50.1 74.6-126.9 -41.8 -4.2 39.1 -14.3 27 32 A N S S- 0 0 87 1,-0.1 3,-0.4 2,-0.0 2,-0.1 -0.225 76.8-117.0 -75.6 164.8 -6.7 40.5 -16.8 28 33 A E S S+ 0 0 140 1,-0.2 -1,-0.1 -3,-0.0 -2,-0.1 -0.435 91.7 46.9 -91.8 175.8 -9.2 43.3 -16.3 29 34 A N S S+ 0 0 43 -2,-0.1 32,-2.5 1,-0.1 2,-0.4 0.706 89.4 106.3 59.8 21.8 -13.0 42.9 -16.4 30 35 A I E +g 61 0B 16 -3,-0.4 2,-0.6 30,-0.2 32,-0.2 -0.941 44.3 177.6-130.2 112.2 -12.7 39.8 -14.2 31 36 A L E +g 62 0B 117 30,-3.0 32,-3.2 -2,-0.4 2,-0.5 -0.938 2.8 175.4-118.4 110.9 -13.8 40.2 -10.6 32 37 A V E -g 63 0B 7 -2,-0.6 32,-0.2 30,-0.2 33,-0.1 -0.957 23.6-131.1-122.2 119.7 -13.6 37.1 -8.4 33 38 A G > - 0 0 13 30,-3.1 3,-1.0 -2,-0.5 -11,-0.4 -0.022 38.6 -75.6 -62.3 165.6 -14.3 37.1 -4.7 34 39 A E T 3 S+ 0 0 53 1,-0.2 32,-1.8 31,-0.1 33,-0.2 -0.162 109.8 16.9 -62.2 153.1 -12.2 35.6 -1.9 35 40 A Y T 3 S+ 0 0 21 -29,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.333 84.2 135.0 68.0 -6.5 -12.0 31.8 -1.2 36 41 A S < - 0 0 1 -3,-1.0 -15,-2.4 30,-0.2 -14,-0.5 -0.612 39.2-163.4 -73.0 127.4 -13.6 31.0 -4.6 37 42 A Y E -Ab 20 68A 12 30,-2.2 32,-1.9 -2,-0.4 2,-0.5 -0.808 21.6-147.8-117.9 154.4 -11.5 28.1 -6.1 38 43 A Y E -Ab 19 69A 0 -19,-2.9 -19,-2.1 -2,-0.3 2,-1.4 -0.968 10.4-152.8-118.8 115.6 -11.0 26.5 -9.5 39 44 A D E -A 18 0A 41 30,-2.1 -21,-0.3 -2,-0.5 -22,-0.0 -0.680 27.1-159.2 -86.0 88.8 -10.3 22.8 -9.5 40 45 A S - 0 0 5 -23,-2.0 -23,-0.1 -2,-1.4 -24,-0.1 -0.044 19.1-135.3 -67.4 167.8 -8.3 22.5 -12.7 41 46 A K S S+ 0 0 77 -24,-0.1 -1,-0.1 1,-0.1 -23,-0.1 0.928 98.2 2.9 -86.9 -58.6 -7.7 19.4 -14.8 42 47 A R S S- 0 0 192 -25,-0.1 -1,-0.1 -26,-0.0 -25,-0.0 0.003 119.8 -79.5-120.2 26.8 -4.0 19.6 -15.6 43 48 A G S S+ 0 0 34 1,-0.2 -3,-0.0 -26,-0.1 -26,-0.0 0.549 75.9 159.0 91.9 9.5 -3.1 22.8 -13.7 44 49 A E - 0 0 16 1,-0.1 -1,-0.2 2,-0.1 -4,-0.1 -0.318 43.4-106.7 -66.3 147.2 -4.5 25.3 -16.2 45 50 A S >> - 0 0 34 1,-0.1 3,-0.9 -5,-0.1 4,-0.6 -0.373 21.4-116.9 -74.6 154.2 -5.3 28.8 -14.8 46 51 A F G >4 S+ 0 0 0 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.856 113.5 61.2 -55.9 -39.4 -8.9 30.0 -14.4 47 52 A E G >4 S+ 0 0 29 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.796 93.6 63.6 -62.6 -29.4 -8.4 32.8 -16.9 48 53 A D G <4 S+ 0 0 95 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.776 99.0 55.8 -62.6 -26.1 -7.6 30.1 -19.6 49 54 A Q G << S+ 0 0 19 -3,-1.4 26,-2.1 -4,-0.6 2,-0.8 0.620 88.8 88.9 -81.1 -14.2 -11.2 29.0 -19.0 50 55 A V E < -k 75 0C 16 -3,-1.1 3,-0.3 -4,-0.5 2,-0.3 -0.779 65.4-176.5 -89.6 110.5 -12.4 32.5 -19.8 51 56 A L E +k 76 0C 42 24,-2.1 26,-2.2 -2,-0.8 28,-0.2 -0.772 52.6 15.7-115.3 153.2 -13.0 32.7 -23.6 52 57 A Y S S+ 0 0 42 -2,-0.3 27,-2.1 1,-0.2 2,-0.9 0.806 77.7 148.8 59.8 34.0 -14.0 35.4 -26.1 53 58 A H + 0 0 31 -3,-0.3 2,-0.4 25,-0.1 -1,-0.2 -0.768 19.6 175.9-103.8 90.7 -13.3 38.1 -23.5 54 59 A Y >> - 0 0 121 -2,-0.9 4,-1.3 1,-0.1 3,-0.7 -0.805 32.4-141.8-101.4 134.1 -12.1 41.2 -25.4 55 60 A E T 34 S+ 0 0 144 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.855 99.9 64.8 -57.4 -36.8 -11.4 44.5 -23.6 56 61 A V T 34 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 49,-0.1 0.857 100.1 50.2 -56.5 -40.6 -12.9 46.4 -26.5 57 62 A I T <4 S- 0 0 28 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.880 95.6-148.6 -67.8 -39.3 -16.3 44.9 -25.8 58 63 A G < + 0 0 24 -4,-1.3 -3,-0.1 1,-0.3 -2,-0.1 0.487 39.9 148.8 85.9 3.2 -16.1 45.8 -22.2 59 64 A D - 0 0 6 -5,-0.4 2,-0.3 53,-0.1 -1,-0.3 -0.362 33.9-143.0 -67.8 151.8 -18.2 43.0 -20.8 60 65 A K - 0 0 73 -2,-0.0 54,-2.3 -30,-0.0 2,-0.5 -0.820 11.6-142.4-121.3 158.1 -17.3 41.7 -17.3 61 66 A L E -gh 30 114B 0 -32,-2.5 -30,-3.0 -2,-0.3 2,-0.5 -0.950 22.8-176.3-119.5 110.3 -17.0 38.5 -15.4 62 67 A I E +gh 31 115B 51 52,-3.0 54,-4.1 -2,-0.5 2,-0.4 -0.925 5.3 177.5-113.2 123.8 -18.1 38.7 -11.8 63 68 A I E -gh 32 116B 2 -32,-3.2 -30,-3.1 -2,-0.5 54,-0.2 -0.988 19.4-139.7-123.9 131.8 -17.9 35.8 -9.4 64 69 A G - 0 0 12 53,-1.5 3,-0.4 52,-1.4 -31,-0.3 0.158 35.8 -71.1 -72.7-165.1 -18.8 36.0 -5.7 65 70 A R S S+ 0 0 80 1,-0.2 54,-3.0 -33,-0.1 55,-0.3 -0.497 104.5 21.9 -92.8 161.6 -17.0 34.5 -2.7 66 71 A F S S+ 0 0 2 -32,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.815 82.0 159.8 55.9 37.7 -16.8 30.8 -1.6 67 72 A C - 0 0 0 -3,-0.4 -30,-2.2 -33,-0.2 2,-0.7 -0.716 36.2-144.7 -94.0 140.5 -17.6 29.5 -5.0 68 73 A S E -bc 37 121A 1 52,-3.3 54,-4.1 -2,-0.3 2,-0.7 -0.907 16.9-171.1-103.0 111.2 -16.8 25.9 -6.2 69 74 A I E -bc 38 122A 1 -32,-1.9 -30,-2.1 -2,-0.7 54,-0.2 -0.891 15.3-140.8-109.9 108.8 -15.8 25.9 -9.8 70 75 A G > - 0 0 10 52,-3.0 3,-1.4 -2,-0.7 56,-0.1 -0.120 32.2 -80.9 -64.5 159.4 -15.5 22.4 -11.3 71 76 A P T 3 S+ 0 0 2 0, 0.0 54,-3.2 0, 0.0 55,-0.2 -0.334 113.4 19.9 -61.2 136.6 -12.8 21.4 -13.8 72 77 A G T 3 S+ 0 0 11 1,-0.3 2,-0.1 52,-0.2 -2,-0.1 0.379 81.4 157.0 86.6 -4.3 -13.4 22.2 -17.4 73 78 A T < - 0 0 0 -3,-1.4 2,-0.4 52,-0.1 -1,-0.3 -0.364 25.9-158.5 -57.7 124.2 -15.9 24.9 -16.6 74 79 A T E - l 0 127C 13 52,-3.2 54,-2.8 -2,-0.1 2,-0.6 -0.892 14.0-157.6-114.9 137.7 -16.0 27.4 -19.5 75 80 A F E -kl 50 128C 0 -26,-2.1 -24,-2.1 -2,-0.4 2,-0.6 -0.924 11.2-159.5-114.0 105.5 -17.2 31.0 -19.5 76 81 A I E -k 51 0C 6 52,-2.7 -24,-0.2 -2,-0.6 2,-0.1 -0.749 13.1-166.3 -88.2 120.9 -18.2 32.2 -23.0 77 82 A M > - 0 0 0 -26,-2.2 3,-1.4 -2,-0.6 4,-0.2 -0.268 39.9 -82.2 -97.8-172.7 -18.1 36.0 -23.3 78 83 A N G > S+ 0 0 2 1,-0.3 3,-1.3 34,-0.2 -25,-0.1 0.578 110.7 83.0 -73.1 -9.7 -19.6 38.3 -25.9 79 84 A G G 3 S+ 0 0 20 -27,-2.1 -1,-0.3 1,-0.3 -27,-0.1 0.795 84.5 61.4 -61.0 -28.6 -16.6 37.9 -28.3 80 85 A A G < S+ 0 0 20 -3,-1.4 -1,-0.3 -28,-0.2 2,-0.3 0.691 80.7 109.2 -71.5 -19.3 -18.2 34.7 -29.6 81 86 A N < - 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