==== 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 TRANSFERASE 18-SEP-02 1MR9 . COMPND 2 MOLECULE: STREPTOGRAMIN A ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR L.E.KEHOE,J.SNIDWONGSE,P.COURVALIN,J.B.RAFFERTY,I.A.MURRAY . 1210 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 798 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 204 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 6 0.5 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 . 112 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 201 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 9 5 1 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 48 12 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 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 6 0 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 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 1 A X 0 0 124 0, 0.0 504,-0.1 0, 0.0 503,-0.1 0.000 360.0 360.0 360.0 111.9 7.4 38.6 6.8 2 2 A G - 0 0 19 502,-0.6 502,-0.1 500,-0.1 503,-0.0 -0.833 360.0 -41.6 150.7-163.7 8.4 41.9 8.4 3 3 A P - 0 0 15 0, 0.0 500,-0.1 0, 0.0 8,-0.1 -0.244 61.4-101.2 -76.3 173.1 8.9 45.5 7.6 4 4 A N > - 0 0 81 6,-0.2 3,-1.3 1,-0.2 15,-0.1 -0.900 22.7-162.8-101.4 117.6 10.6 46.7 4.4 5 5 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 14,-0.1 0.874 87.9 68.7 -59.2 -40.9 14.2 47.8 4.9 6 6 A X T 3 S+ 0 0 119 15,-0.1 2,-0.5 16,-0.1 -2,-0.0 0.575 87.9 88.5 -60.1 -3.8 14.2 49.7 1.6 7 7 A K < - 0 0 89 -3,-1.3 12,-0.3 1,-0.1 16,-0.1 -0.828 62.7-161.2-100.7 130.8 11.8 52.0 3.3 8 8 A X S S+ 0 0 99 -2,-0.5 11,-1.4 1,-0.3 -1,-0.1 0.784 96.8 38.3 -79.6 -24.0 13.1 55.0 5.3 9 9 A Y S S+ 0 0 48 9,-0.2 -1,-0.3 1,-0.1 5,-0.2 -0.631 72.2 175.8-121.6 75.2 9.8 55.3 7.1 10 10 A P + 0 0 14 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 0.613 65.7 68.1 -59.4 -15.1 8.8 51.6 7.6 11 11 A I S > S- 0 0 42 3,-0.4 3,-2.3 6,-0.3 5,-0.1 -0.908 92.9-121.6-112.1 108.6 5.7 52.5 9.7 12 12 A E T 3 S+ 0 0 90 -2,-0.6 3,-0.1 1,-0.3 0, 0.0 -0.176 94.4 12.4 -55.7 127.9 3.1 54.3 7.6 13 13 A G T 3 S+ 0 0 90 1,-0.1 2,-0.5 -4,-0.1 -1,-0.3 0.517 104.5 101.6 85.9 5.4 2.2 57.7 8.9 14 14 A N < + 0 0 48 -3,-2.3 -3,-0.4 -5,-0.2 -1,-0.1 -0.951 39.5 175.5-121.3 113.1 5.1 57.9 11.2 15 15 A K S S+ 0 0 132 -2,-0.5 -1,-0.1 1,-0.1 -3,-0.1 0.164 71.7 71.8 -96.8 18.6 8.1 60.0 10.1 16 16 A S S S+ 0 0 52 -5,-0.1 24,-1.6 23,-0.1 2,-0.2 0.871 81.0 66.5-104.4 -52.9 10.0 59.5 13.3 17 17 A V E S-A 39 0A 6 22,-0.2 2,-0.4 -6,-0.1 -6,-0.3 -0.563 74.6-171.0 -64.3 137.6 11.1 55.9 13.2 18 18 A Q E -A 38 0A 0 20,-1.5 20,-2.6 -2,-0.2 2,-0.5 -0.982 29.0-137.9-144.8 124.1 13.6 55.6 10.4 19 19 A F E > -A 37 0A 1 -11,-1.4 4,-0.6 -2,-0.4 18,-0.3 -0.736 22.7-154.3 -76.9 124.9 15.3 52.7 8.7 20 20 A I H > S+ 0 0 0 16,-2.4 4,-2.0 -2,-0.5 3,-0.4 0.819 77.4 66.8 -77.1 -31.4 18.9 54.0 8.4 21 21 A K H > S+ 0 0 49 15,-0.5 4,-0.6 12,-0.4 -1,-0.2 0.939 101.0 44.0 -62.1 -55.8 20.1 52.1 5.4 22 22 A P H 4 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.755 112.9 56.9 -61.7 -22.2 17.9 53.5 2.6 23 23 A I H >< S+ 0 0 33 -4,-0.6 3,-0.5 -3,-0.4 4,-0.2 0.959 116.4 29.3 -77.1 -53.0 18.5 57.0 4.0 24 24 A L H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.401 89.0 117.8 -82.2 5.4 22.3 57.1 3.8 25 25 A E T 3< S+ 0 0 102 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.722 85.7 29.4 -51.8 -27.4 22.1 54.7 0.9 26 26 A K T < S+ 0 0 95 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.578 91.1 114.9-111.0 -17.4 23.7 57.3 -1.4 27 27 A L S X S- 0 0 77 -3,-0.8 3,-0.8 -4,-0.2 2,-0.1 -0.300 74.6-111.8 -44.9 133.9 25.8 59.1 1.3 28 28 A E T 3 S+ 0 0 126 1,-0.2 -1,-0.1 32,-0.0 -2,-0.1 -0.423 91.2 7.9 -71.1 149.3 29.5 58.5 0.4 29 29 A N T 3 S+ 0 0 38 1,-0.1 32,-1.3 -2,-0.1 2,-0.5 0.700 99.1 118.7 56.6 23.4 31.7 56.3 2.6 30 30 A V E < -g 61 0B 18 -3,-0.8 2,-0.4 -6,-0.2 32,-0.2 -0.934 41.0-174.1-126.7 108.0 28.7 55.3 4.7 31 31 A E E -g 62 0B 125 30,-1.8 32,-1.8 -2,-0.5 2,-0.4 -0.843 8.7-175.7 -97.4 133.4 27.7 51.6 4.9 32 32 A V E -g 63 0B 12 -2,-0.4 32,-0.2 30,-0.2 2,-0.1 -0.996 17.2-133.7-135.2 136.1 24.5 50.8 6.7 33 33 A G - 0 0 8 30,-1.2 3,-0.4 31,-0.9 -12,-0.4 -0.433 34.9 -90.7 -85.1 161.2 23.0 47.4 7.6 34 34 A E S S+ 0 0 74 1,-0.2 32,-1.8 -2,-0.1 2,-0.4 -0.304 100.9 13.8 -72.6 150.8 19.3 46.5 7.2 35 35 A Y S S+ 0 0 24 1,-0.3 -1,-0.2 30,-0.2 30,-0.1 0.026 86.4 131.3 82.3 -29.1 16.6 47.0 9.8 36 36 A S - 0 0 0 -3,-0.4 -16,-2.4 -2,-0.4 -15,-0.5 -0.322 41.1-170.9 -57.0 139.2 18.8 49.2 11.9 37 37 A Y E -Ab 19 68A 14 30,-2.1 32,-2.5 -18,-0.3 2,-0.4 -0.867 25.4-141.0-143.8 160.6 16.8 52.2 12.8 38 38 A Y E -Ab 18 69A 0 -20,-2.6 -20,-1.5 -2,-0.3 2,-0.6 -0.975 12.9-142.6-128.9 139.7 16.8 55.7 14.3 39 39 A D E -A 17 0A 59 30,-1.5 -22,-0.2 -2,-0.4 33,-0.2 -0.918 31.1-125.0-103.2 120.8 14.2 57.4 16.5 40 40 A S - 0 0 13 -24,-1.6 5,-0.1 -2,-0.6 -24,-0.1 -0.318 15.3-157.6 -73.1 143.9 13.9 61.1 15.6 41 41 A K S S- 0 0 110 29,-0.1 -1,-0.1 1,-0.1 -25,-0.0 0.878 84.0 -12.0 -76.4 -93.4 14.2 63.9 18.1 42 42 A N S S- 0 0 136 -26,-0.0 -1,-0.1 1,-0.0 -2,-0.0 -0.122 123.0 -65.2-106.5 31.7 12.5 67.0 16.9 43 43 A G S S+ 0 0 53 1,-0.2 -3,-0.1 -27,-0.1 -1,-0.0 0.381 89.7 143.8 106.7 -0.6 12.0 65.7 13.4 44 44 A E - 0 0 83 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.094 44.7-128.9 -61.9 163.1 15.6 65.4 12.2 45 45 A T > - 0 0 20 -5,-0.1 3,-1.7 1,-0.1 4,-0.1 -0.922 23.8-114.3-115.8 153.3 16.8 62.6 9.8 46 46 A F G > S+ 0 0 0 -2,-0.3 3,-3.6 1,-0.3 4,-0.2 0.799 109.3 68.0 -66.7 -34.7 19.8 60.6 10.7 47 47 A D G > S+ 0 0 55 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.904 95.7 60.6 -43.0 -41.6 22.0 61.7 7.9 48 48 A K G < S+ 0 0 121 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.413 95.2 63.9 -73.2 4.5 22.0 65.0 9.6 49 49 A Q G < S+ 0 0 12 -3,-3.6 26,-2.4 -4,-0.1 2,-0.6 0.249 80.2 88.8-109.8 6.2 23.5 63.3 12.7 50 50 A I E < -k 75 0C 20 -3,-2.0 2,-0.4 -4,-0.2 3,-0.3 -0.937 68.5-163.9-106.7 114.3 26.8 62.4 10.9 51 51 A L E +k 76 0C 39 24,-2.3 26,-2.4 -2,-0.6 28,-0.2 -0.800 52.9 0.6-118.3 140.6 29.1 65.4 11.3 52 52 A Y S S+ 0 0 59 -2,-0.4 27,-2.0 1,-0.2 2,-0.8 0.928 74.3 157.7 54.8 51.7 32.3 66.6 9.7 53 53 A H - 0 0 30 -3,-0.3 -1,-0.2 25,-0.1 25,-0.0 -0.767 18.2-174.6-109.5 88.5 32.4 63.7 7.3 54 54 A Y >> - 0 0 102 -2,-0.8 3,-3.2 1,-0.1 4,-0.5 -0.716 24.2-149.3 -98.9 110.9 34.5 64.9 4.4 55 55 A P T 34 S+ 0 0 71 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.678 97.3 63.2 -47.1 -20.1 34.8 62.6 1.4 56 56 A I T 34 S+ 0 0 129 1,-0.2 49,-0.0 2,-0.1 -2,-0.0 0.716 93.0 60.3 -80.3 -21.3 38.3 64.0 0.8 57 57 A L T <4 S- 0 0 26 -3,-3.2 -1,-0.2 2,-0.1 21,-0.0 0.522 98.7-137.9 -90.6 -8.5 39.6 62.7 4.1 58 58 A N < + 0 0 119 -4,-0.5 2,-0.3 -3,-0.5 -2,-0.1 0.551 51.1 140.6 72.8 11.9 38.8 59.1 3.1 59 59 A D - 0 0 5 -5,-0.4 -1,-0.2 53,-0.1 2,-0.2 -0.653 34.9-151.0 -91.6 147.4 37.4 57.9 6.4 60 60 A K - 0 0 68 -2,-0.3 54,-1.4 -30,-0.0 2,-0.3 -0.566 10.3-142.8-117.5 176.2 34.4 55.6 6.5 61 61 A L E -gh 30 114B 1 -32,-1.3 -30,-1.8 52,-0.2 2,-0.5 -0.886 14.5-170.8-148.2 101.9 31.4 54.7 8.7 62 62 A K E -gh 31 115B 75 52,-2.7 54,-3.5 -2,-0.3 2,-0.5 -0.859 1.7-173.7-100.4 129.0 30.1 51.2 9.1 63 63 A I E -gh 32 116B 8 -32,-1.8 -30,-1.2 -2,-0.5 54,-0.2 -0.990 16.6-143.8-118.9 125.3 26.9 50.4 10.9 64 64 A G - 0 0 13 52,-1.7 -31,-0.9 53,-0.7 3,-0.4 0.199 31.5 -73.1 -70.9-163.0 26.0 46.8 11.4 65 65 A K S S+ 0 0 41 1,-0.2 54,-3.9 -33,-0.1 55,-0.3 -0.521 99.9 15.0-102.8 162.4 22.5 45.2 11.4 66 66 A F S S+ 0 0 3 -32,-1.8 2,-0.2 52,-0.2 -1,-0.2 0.789 85.1 156.0 46.9 36.9 19.5 45.2 13.6 67 67 A C - 0 0 0 -3,-0.4 -30,-2.1 52,-0.2 2,-0.5 -0.593 37.3-146.2 -85.9 152.0 20.9 48.2 15.5 68 68 A S E -bc 37 121A 0 52,-2.1 54,-2.7 -2,-0.2 2,-0.5 -0.985 13.1-169.6-115.2 120.2 18.8 50.8 17.5 69 69 A I E -bc 38 122A 1 -32,-2.5 -30,-1.5 -2,-0.5 54,-0.1 -0.944 17.4-137.4-109.4 129.4 20.2 54.3 17.5 70 70 A G > - 0 0 8 52,-1.4 3,-1.7 53,-0.6 55,-0.2 -0.310 34.7 -70.6 -87.6 167.4 18.5 56.7 20.0 71 71 A P T 3 S+ 0 0 15 0, 0.0 54,-1.6 0, 0.0 -1,-0.2 -0.249 116.0 12.3 -58.8 132.6 17.4 60.3 19.5 72 72 A G T 3 S+ 0 0 9 1,-0.2 52,-0.1 52,-0.2 -32,-0.1 0.530 81.3 156.8 82.5 6.4 20.2 62.8 19.2 73 73 A V < - 0 0 1 -3,-1.7 2,-0.4 52,-0.1 -1,-0.2 -0.331 25.7-157.1 -59.6 149.2 23.0 60.3 18.7 74 74 A T E - l 0 127C 21 52,-1.5 54,-2.4 -24,-0.0 2,-0.6 -0.996 15.3-160.0-142.8 128.5 25.9 61.9 17.0 75 75 A I E -kl 50 128C 0 -26,-2.4 -24,-2.3 -2,-0.4 2,-0.8 -0.940 13.1-160.2-117.4 112.0 28.7 60.4 14.9 76 76 A I E -k 51 0C 10 52,-2.2 -24,-0.2 -2,-0.6 2,-0.1 -0.802 7.7-160.7-106.5 104.4 31.7 62.6 14.6 77 77 A X > - 0 0 0 -26,-2.4 3,-1.4 -2,-0.8 36,-0.1 -0.397 40.4 -86.1 -90.8 165.3 34.0 61.9 11.8 78 78 A N G > S+ 0 0 8 1,-0.3 3,-1.4 34,-0.2 -25,-0.1 0.543 110.1 86.8 -49.6 -11.2 37.6 63.0 11.4 79 79 A G G 3 S+ 0 0 14 -27,-2.0 -1,-0.3 1,-0.3 -27,-0.2 0.544 79.4 65.9 -68.2 -3.3 36.6 66.3 9.8 80 80 A A G < S+ 0 0 28 -3,-1.4 2,-0.4 -28,-0.3 -1,-0.3 0.037 79.5 98.9-112.1 20.5 36.3 67.8 13.2 81 81 A N < - 0 0 23 -3,-1.4 2,-0.1 28,-0.1 3,-0.0 -0.895 60.7-144.5-106.3 144.2 39.9 67.6 14.3 82 82 A H - 0 0 31 -2,-0.4 2,-0.3 1,-0.1 6,-0.1 -0.303 35.9 -86.7 -85.3 176.7 42.3 70.5 14.1 83 83 A R + 0 0 19 5,-0.2 25,-0.1 4,-0.2 -1,-0.1 -0.679 45.4 178.0 -83.8 151.6 46.0 70.2 13.2 84 84 A X + 0 0 54 23,-0.5 4,-0.1 -2,-0.3 -1,-0.1 0.471 54.4 93.4-144.3 -15.2 48.0 69.5 16.3 85 85 A D S S- 0 0 62 22,-0.4 317,-0.1 2,-0.1 2,-0.1 0.798 116.5 -18.6 -53.5 -27.8 51.7 69.1 15.5 86 86 A G S S+ 0 0 0 1,-0.3 315,-0.3 315,-0.3 2,-0.2 -0.188 124.0 9.2-142.8-124.0 51.7 72.8 16.3 87 87 A S - 0 0 1 313,-1.6 -1,-0.3 310,-0.2 -4,-0.2 -0.505 49.4-151.6 -69.2 137.7 49.1 75.5 16.6 88 88 A T + 0 0 1 235,-0.4 -5,-0.2 -2,-0.2 -1,-0.1 0.484 61.7 118.3 -84.0 -6.6 45.5 74.4 16.4 89 89 A Y - 0 0 4 1,-0.1 2,-1.8 181,-0.1 3,-0.2 -0.490 67.1-138.2 -63.7 125.5 44.6 77.8 14.9 90 90 A P > + 0 0 16 0, 0.0 3,-3.2 0, 0.0 4,-0.4 -0.501 30.7 172.2 -82.4 65.0 43.2 77.2 11.5 91 91 A F G > S+ 0 0 1 -2,-1.8 3,-0.7 1,-0.3 11,-0.1 0.822 73.4 66.4 -36.0 -34.4 45.0 80.1 10.0 92 92 A N G 3 S+ 0 0 40 9,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.453 82.5 74.5 -80.9 -4.1 43.7 78.7 6.7 93 93 A L G < S+ 0 0 74 -3,-3.2 -1,-0.2 1,-0.2 -2,-0.1 0.940 92.3 49.9 -66.7 -48.1 40.0 79.4 7.4 94 94 A F S < S- 0 0 5 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.238 84.9-160.5 -93.8 12.6 40.0 83.1 6.9 95 95 A G > + 0 0 17 -3,-0.4 3,-0.7 1,-0.1 -1,-0.2 -0.117 45.3 131.3 49.7-134.9 41.7 83.4 3.5 96 96 A N T 3 S- 0 0 97 1,-0.3 110,-1.0 110,-0.1 -1,-0.1 0.859 110.2 -40.3 50.6 40.1 43.1 86.8 2.7 97 97 A G T 3 S+ 0 0 38 108,-0.1 -1,-0.3 -5,-0.1 3,-0.1 0.631 121.2 102.8 88.6 15.7 46.4 85.1 1.7 98 98 A W X + 0 0 0 -3,-0.7 3,-1.2 1,-0.1 -2,-0.1 0.294 52.2 94.8-104.9 7.9 46.5 82.6 4.5 99 99 A E G > + 0 0 101 1,-0.3 3,-2.4 2,-0.2 -1,-0.1 0.835 68.8 72.5 -66.2 -35.2 45.4 79.8 2.2 100 100 A K G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.721 90.1 59.8 -51.7 -26.9 49.0 78.8 1.6 101 101 A H G < S+ 0 0 22 -3,-1.2 -1,-0.3 2,-0.1 -9,-0.3 0.253 74.2 138.4 -94.0 13.8 49.1 77.4 5.2 102 102 A X < - 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