==== 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/ANTIBIOTIC 03-NOV-12 4HUS . 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 . 635 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 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 . 75 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 13.1 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 0 1 1 3 1 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 0 143 0, 0.0 523,-0.2 0, 0.0 522,-0.1 0.000 360.0 360.0 360.0 132.6 37.5 30.3 11.7 2 8 A G - 0 0 14 521,-2.2 521,-0.1 520,-0.2 520,-0.0 -0.311 360.0 -66.7 113.4 160.8 37.4 29.6 8.0 3 9 A P - 0 0 8 0, 0.0 519,-0.1 0, 0.0 518,-0.0 -0.222 53.6 -93.9 -76.2 166.6 39.8 29.8 5.0 4 10 A D > - 0 0 91 1,-0.1 3,-2.3 6,-0.1 -2,-0.0 -0.773 28.0-150.1 -83.2 117.3 41.4 32.9 3.6 5 11 A P T 3 S+ 0 0 22 0, 0.0 29,-0.2 0, 0.0 -1,-0.1 0.629 97.3 60.3 -64.8 -13.2 39.1 33.9 0.7 6 12 A E T 3 S+ 0 0 89 15,-0.1 2,-0.8 16,-0.1 3,-0.1 0.393 79.2 103.2 -93.0 0.0 42.2 35.3 -1.0 7 13 A N < - 0 0 70 -3,-2.3 12,-0.4 1,-0.2 0, 0.0 -0.754 60.4-158.9 -84.7 112.0 43.8 31.9 -1.0 8 14 A I S S+ 0 0 70 -2,-0.8 11,-1.8 1,-0.3 -1,-0.2 0.866 88.5 34.7 -60.8 -35.7 43.5 30.6 -4.6 9 15 A L + 0 0 67 9,-0.2 -1,-0.3 1,-0.1 9,-0.1 -0.705 69.5 168.3-122.9 84.0 44.0 27.0 -3.5 10 16 A P + 0 0 15 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.467 55.8 75.5 -80.6 -4.3 42.3 26.7 -0.1 11 17 A I S > S- 0 0 34 6,-0.4 3,-1.7 3,-0.3 510,-0.1 -0.943 85.4-119.2-111.9 128.4 42.3 22.9 0.1 12 18 A K T 3 S+ 0 0 210 -2,-0.5 3,-0.1 1,-0.3 0, 0.0 -0.363 96.2 8.8 -63.6 135.4 45.6 21.1 0.9 13 19 A G T 3 S+ 0 0 82 1,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.432 102.1 114.4 76.5 -2.4 46.7 18.7 -1.9 14 20 A N < + 0 0 47 -3,-1.7 -3,-0.3 1,-0.1 -1,-0.2 -0.900 33.1 170.9-108.0 120.1 44.1 20.0 -4.3 15 21 A R S S+ 0 0 200 -2,-0.6 -1,-0.1 1,-0.1 -3,-0.0 0.298 74.6 58.0-106.3 8.4 45.2 21.8 -7.3 16 22 A N S S+ 0 0 59 1,-0.1 23,-1.8 25,-0.1 2,-0.5 0.811 83.8 79.8-104.7 -40.7 41.8 21.9 -9.0 17 23 A L E -A 38 0A 7 21,-0.2 2,-0.4 -6,-0.1 -6,-0.4 -0.596 62.3-176.3 -78.6 121.2 39.6 23.7 -6.6 18 24 A Q E -A 37 0A 15 19,-2.4 19,-2.8 -2,-0.5 2,-0.5 -0.953 33.1-129.2-122.6 130.3 40.1 27.5 -6.8 19 25 A F E -A 36 0A 1 -11,-1.8 17,-0.2 -12,-0.4 4,-0.2 -0.677 32.3-148.3 -66.9 123.8 38.6 30.3 -4.8 20 26 A I S >> S+ 0 0 0 15,-2.3 3,-2.1 -2,-0.5 4,-0.7 0.893 79.0 66.0 -71.1 -44.7 37.5 32.4 -7.8 21 27 A K G >4 S+ 0 0 70 14,-0.5 3,-1.3 11,-0.4 -1,-0.2 0.858 99.7 49.3 -50.4 -49.1 37.9 36.0 -6.6 22 28 A P G 34 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.517 108.1 57.3 -76.2 2.1 41.7 36.1 -6.2 23 29 A T G <4 S+ 0 0 21 -3,-2.1 2,-0.2 -4,-0.2 -2,-0.2 0.542 80.0 110.3 -98.3 -11.1 42.1 34.6 -9.7 24 30 A I << + 0 0 40 -3,-1.3 3,-0.0 -4,-0.7 -3,-0.0 -0.470 25.4 154.1 -69.8 129.4 40.1 37.4 -11.5 25 31 A T + 0 0 101 -2,-0.2 2,-0.2 2,-0.1 -1,-0.2 0.509 46.1 91.8-122.4 -22.1 42.2 39.6 -13.7 26 32 A N S > S- 0 0 87 1,-0.1 3,-0.7 2,-0.0 2,-0.1 -0.463 72.8-120.0 -85.3 147.5 39.6 40.8 -16.2 27 33 A E T 3 S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.401 95.1 38.0 -69.7 158.1 37.5 43.9 -16.1 28 34 A N T 3 S+ 0 0 42 1,-0.2 32,-2.6 -2,-0.1 2,-0.4 0.624 94.2 101.9 72.9 16.7 33.7 43.4 -16.1 29 35 A I E < +g 60 0B 15 -3,-0.7 2,-0.4 30,-0.2 32,-0.2 -0.995 42.5 174.2-127.9 128.2 33.9 40.3 -13.9 30 36 A L E +g 61 0B 115 30,-2.9 32,-2.7 -2,-0.4 2,-0.4 -0.963 2.9 178.9-136.4 122.6 33.0 40.5 -10.2 31 37 A V E -g 62 0B 9 -2,-0.4 32,-0.2 30,-0.2 33,-0.1 -0.979 25.3-119.6-127.2 131.7 32.9 37.4 -8.0 32 38 A G > - 0 0 7 30,-2.3 3,-1.3 31,-0.7 -11,-0.4 -0.214 39.2 -83.9 -66.8 153.0 32.1 37.2 -4.3 33 39 A E T 3 S+ 0 0 51 1,-0.2 32,-1.7 31,-0.1 33,-0.2 -0.111 109.4 18.2 -47.4 147.3 34.4 35.8 -1.6 34 40 A Y T 3 S+ 0 0 28 1,-0.2 -1,-0.2 -29,-0.2 2,-0.1 0.171 86.6 129.8 72.9 -17.3 34.4 32.0 -0.9 35 41 A S < - 0 0 1 -3,-1.3 -15,-2.3 28,-0.1 -14,-0.5 -0.457 42.8-163.0 -65.9 139.6 32.8 31.2 -4.3 36 42 A Y E -Ab 19 67A 13 30,-2.3 32,-2.1 -17,-0.2 2,-0.5 -0.919 24.5-145.3-133.2 155.1 34.9 28.5 -5.9 37 43 A Y E -Ab 18 68A 1 -19,-2.8 -19,-2.4 -2,-0.3 2,-1.3 -0.973 11.1-154.2-118.0 120.2 35.5 26.9 -9.2 38 44 A D E -A 17 0A 39 30,-2.6 -21,-0.2 -2,-0.5 -22,-0.0 -0.694 26.2-155.6 -93.6 87.4 36.3 23.2 -9.2 39 45 A S - 0 0 5 -23,-1.8 5,-0.1 -2,-1.3 -24,-0.0 -0.139 18.4-136.6 -67.9 156.2 38.3 22.9 -12.4 40 46 A K S S+ 0 0 61 1,-0.1 -1,-0.1 29,-0.1 -23,-0.1 0.877 98.4 1.4 -73.6 -40.8 38.7 19.8 -14.5 41 47 A R S S- 0 0 200 -25,-0.1 -1,-0.1 2,-0.0 -25,-0.1 0.126 117.2 -76.4-140.0 17.4 42.4 20.2 -15.1 42 48 A G S S+ 0 0 41 1,-0.3 -3,-0.1 -26,-0.1 -26,-0.0 0.392 80.4 150.6 95.7 -4.0 43.6 23.3 -13.3 43 49 A E - 0 0 32 1,-0.1 -1,-0.3 2,-0.1 -4,-0.1 -0.242 46.1-111.4 -59.5 150.8 42.1 25.7 -15.9 44 50 A S - 0 0 27 1,-0.1 3,-0.3 -5,-0.1 4,-0.2 -0.391 16.2-114.6 -86.0 163.7 41.0 29.1 -14.5 45 51 A F S > S+ 0 0 2 1,-0.2 3,-1.9 2,-0.2 4,-0.3 0.859 114.2 59.6 -62.9 -38.9 37.6 30.4 -14.1 46 52 A E G > S+ 0 0 27 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.829 95.5 63.1 -62.8 -31.4 38.2 33.2 -16.7 47 53 A D G 3 S+ 0 0 104 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.622 99.6 56.2 -66.1 -11.7 38.9 30.6 -19.3 48 54 A Q G < S+ 0 0 27 -3,-1.9 26,-2.5 -4,-0.2 2,-0.6 0.499 87.1 89.3 -98.1 -5.2 35.3 29.5 -18.8 49 55 A V E < -k 74 0C 16 -3,-1.4 2,-0.3 -4,-0.3 3,-0.3 -0.833 66.3-167.7 -94.8 121.3 34.0 32.9 -19.6 50 56 A L E +k 75 0C 30 24,-3.4 26,-2.6 -2,-0.6 28,-0.2 -0.797 53.4 10.7-118.4 151.8 33.4 33.1 -23.4 51 57 A Y S S+ 0 0 47 -2,-0.3 27,-2.1 1,-0.2 2,-0.7 0.881 77.7 153.9 56.6 43.1 32.6 35.8 -25.9 52 58 A H + 0 0 37 -3,-0.3 2,-0.4 25,-0.1 -1,-0.2 -0.877 14.4 172.3-109.6 104.1 33.3 38.5 -23.3 53 59 A Y >> - 0 0 115 -2,-0.7 3,-1.2 1,-0.1 4,-1.1 -0.941 33.6-140.4-119.2 132.3 34.4 41.8 -25.0 54 60 A E G >4 S+ 0 0 133 -2,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.877 99.8 62.5 -55.9 -41.7 34.9 45.0 -23.2 55 61 A V G 34 S+ 0 0 114 1,-0.3 -1,-0.3 2,-0.1 49,-0.1 0.783 100.4 53.8 -58.8 -27.8 33.4 47.1 -26.0 56 62 A I G <4 S- 0 0 25 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.865 96.9-148.8 -75.2 -33.9 30.1 45.3 -25.5 57 63 A G << + 0 0 32 -4,-1.1 2,-0.1 -3,-0.6 -3,-0.1 0.551 39.3 148.8 81.3 8.1 30.2 46.3 -21.9 58 64 A D - 0 0 2 -5,-0.4 2,-0.3 53,-0.1 -1,-0.2 -0.457 33.4-144.0 -73.7 150.2 28.3 43.3 -20.5 59 65 A K - 0 0 84 -2,-0.1 54,-1.9 2,-0.0 2,-0.5 -0.848 10.6-146.5-118.7 148.9 29.2 42.2 -17.0 60 66 A L E +gh 29 113B 0 -32,-2.6 -30,-2.9 -2,-0.3 2,-0.5 -0.973 24.5 179.9-111.9 119.6 29.5 38.9 -15.2 61 67 A I E +gh 30 114B 62 52,-2.5 54,-3.4 -2,-0.5 2,-0.4 -0.981 5.9 179.2-124.5 125.9 28.5 39.1 -11.5 62 68 A I E -gh 31 115B 1 -32,-2.7 -30,-2.3 -2,-0.5 54,-0.2 -0.991 18.1-137.9-127.9 135.4 28.6 36.2 -9.1 63 69 A G - 0 0 13 52,-1.7 -31,-0.7 53,-1.2 3,-0.4 0.223 36.0 -69.3 -73.3-162.1 27.7 36.4 -5.4 64 70 A R S S+ 0 0 78 1,-0.2 54,-2.8 -33,-0.1 55,-0.3 -0.528 102.0 19.7 -97.8 159.8 29.3 34.8 -2.4 65 71 A F S S+ 0 0 2 -32,-1.7 2,-0.3 52,-0.2 -1,-0.2 0.822 80.7 155.7 57.0 38.2 29.5 31.2 -1.2 66 72 A C - 0 0 0 -3,-0.4 -30,-2.3 52,-0.2 2,-0.6 -0.711 38.1-143.0 -96.3 146.8 28.7 29.7 -4.7 67 73 A S E -bc 36 120A 2 52,-3.2 54,-3.3 -2,-0.3 2,-0.6 -0.946 18.1-167.0-108.9 114.3 29.8 26.2 -5.7 68 74 A I E -bc 37 121A 1 -32,-2.1 -30,-2.6 -2,-0.6 54,-0.2 -0.887 12.2-137.8-112.3 116.4 30.8 26.1 -9.4 69 75 A G > - 0 0 10 52,-2.4 3,-1.7 -2,-0.6 56,-0.1 -0.197 31.2 -82.4 -73.0 157.9 31.2 22.8 -11.1 70 76 A P T 3 S+ 0 0 5 0, 0.0 54,-2.6 0, 0.0 55,-0.2 -0.286 113.0 16.0 -54.7 128.6 33.9 21.7 -13.6 71 77 A G T 3 S+ 0 0 9 1,-0.3 2,-0.1 52,-0.2 -2,-0.1 0.427 80.5 153.9 88.7 -2.3 33.2 22.7 -17.2 72 78 A T < - 0 0 0 -3,-1.7 2,-0.4 52,-0.1 -1,-0.3 -0.430 27.0-160.6 -61.0 129.4 30.6 25.4 -16.4 73 79 A T E - l 0 126C 18 52,-2.6 54,-2.9 -2,-0.1 2,-0.6 -0.925 14.8-152.5-120.7 143.8 30.7 27.9 -19.1 74 80 A F E -kl 49 127C 0 -26,-2.5 -24,-3.4 -2,-0.4 2,-0.7 -0.942 9.7-160.6-115.5 113.0 29.4 31.4 -19.3 75 81 A I E -k 50 0C 6 52,-2.9 -24,-0.2 -2,-0.6 2,-0.1 -0.837 12.4-170.1 -95.5 113.7 28.4 32.7 -22.7 76 82 A M > - 0 0 0 -26,-2.6 3,-1.1 -2,-0.7 4,-0.1 -0.283 40.9 -82.0 -92.0-173.4 28.3 36.5 -22.9 77 83 A N G > S+ 0 0 4 1,-0.3 3,-1.6 34,-0.2 -25,-0.1 0.517 106.1 87.0 -78.6 -7.2 26.9 38.6 -25.7 78 84 A G G 3 S+ 0 0 24 -27,-2.1 -1,-0.3 1,-0.3 -27,-0.1 0.548 83.9 64.0 -68.4 -5.3 29.9 38.6 -28.1 79 85 A A G < S+ 0 0 22 -3,-1.1 -1,-0.3 -28,-0.3 2,-0.2 0.664 78.4 104.5 -88.3 -20.1 28.4 35.4 -29.5 80 86 A N < - 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0 0 104 -3,-1.2 2,-0.1 -10,-0.1 -3,-0.0 -0.398 49.0-127.5 -55.4 125.2 30.7 46.7 -39.1 102 108 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.357 11.1-124.0 -78.0 158.7 27.5 46.6 -36.9 103 109 A S >> - 0 0 50 1,-0.1 3,-1.6 -2,-0.1 4,-0.8 -0.676 27.8-111.1 -93.8 160.0 26.7 49.0 -34.2 104 110 A L G >4 S+ 0 0 79 1,-0.3 3,-0.7 -2,-0.3 5,-0.3 0.824 120.3 60.0 -58.9 -30.5 26.1 47.7 -30.7 105 111 A K G 34 S+ 0 0 192 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.714 99.2 56.8 -71.2 -19.6 22.5 48.8 -31.2 106 112 A D G <4 S+ 0 0 54 -3,-1.6 -23,-0.4 2,-0.1 -1,-0.2 0.696 93.9 84.9 -80.7 -18.2 22.3 46.5 -34.2 107 113 A L S << S- 0 0 38 -4,-0.8 2,-2.2 -3,-0.7 -25,-0.1 -0.669 86.8-120.4 -92.8 138.8 23.3 43.5 -32.0 108 114 A P - 0 0 38 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.459 40.4-167.3 -74.2 72.8 20.7 41.5 -30.0 109 115 A L - 0 0 76 -2,-2.2 -31,-0.0 -5,-0.3 -5,-0.0 -0.370 19.2-166.5 -68.3 139.1 22.3 42.2 -26.6 110 116 A K - 0 0 121 1,-0.3 -1,-0.1 -2,-0.1 2,-0.0 0.366 33.3-133.8-103.8 2.4 21.1 40.1 -23.6 111 117 A G - 0 0 25 2,-0.1 19,-0.6 18,-0.0 -1,-0.3 -0.286 48.4 -16.9 73.1-161.8 22.7 42.2 -20.7 112 118 A D - 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