==== 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 1MR7 . 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 . 1217 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 822 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 204 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 5.2 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 . 3 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 . 118 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 213 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 5 5 6 0 0 0 6 0 0 1 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 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 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 M 0 0 110 0, 0.0 504,-0.2 0, 0.0 189,-0.1 0.000 360.0 360.0 360.0 142.6 7.3 37.9 6.9 2 2 A G - 0 0 14 502,-3.2 502,-0.1 2,-0.1 501,-0.0 -0.224 360.0 -41.0 91.3 174.3 8.4 41.1 8.5 3 3 A P - 0 0 6 0, 0.0 500,-0.1 0, 0.0 8,-0.1 -0.148 58.4 -99.1 -76.9 169.4 8.9 44.6 7.2 4 4 A N > - 0 0 85 6,-0.2 3,-2.0 1,-0.1 -2,-0.1 -0.782 26.1-157.8 -91.8 109.2 10.5 45.7 4.0 5 5 A P T 3 S+ 0 0 25 0, 0.0 30,-0.2 0, 0.0 -1,-0.1 0.609 88.6 63.3 -69.2 -7.0 14.1 46.7 4.7 6 6 A M T 3 S+ 0 0 97 15,-0.1 2,-0.5 16,-0.1 3,-0.1 0.486 81.0 96.4 -93.6 -4.4 14.2 48.9 1.6 7 7 A K < - 0 0 69 -3,-2.0 12,-0.4 1,-0.2 16,-0.1 -0.746 63.6-154.1 -80.0 128.5 11.4 51.3 2.9 8 8 A M S S+ 0 0 98 -2,-0.5 11,-1.4 1,-0.3 -1,-0.2 0.873 99.5 35.0 -67.6 -29.6 12.8 54.4 4.6 9 9 A Y S S- 0 0 43 9,-0.2 -1,-0.3 1,-0.1 9,-0.2 -0.846 74.5-179.1-121.0 86.6 9.6 54.5 6.5 10 10 A P + 0 0 2 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 0.757 69.1 63.6 -66.5 -18.0 8.7 50.8 7.1 11 11 A I S > S- 0 0 45 3,-0.4 3,-2.3 6,-0.4 6,-0.1 -0.909 94.7-118.2-110.4 115.6 5.5 51.7 9.0 12 12 A E T 3 S+ 0 0 140 -2,-0.6 3,-0.1 1,-0.3 -1,-0.0 -0.223 95.5 9.1 -53.9 128.0 2.9 53.5 6.9 13 13 A G T 3 S+ 0 0 75 1,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.456 104.0 108.0 83.0 2.2 2.1 57.0 8.2 14 14 A N < + 0 0 46 -3,-2.3 -3,-0.4 -5,-0.1 -1,-0.2 -0.940 35.2 170.8-116.5 110.5 4.9 56.9 10.7 15 15 A K + 0 0 128 -2,-0.6 -1,-0.1 1,-0.1 25,-0.1 0.361 69.7 74.0-101.1 11.2 7.9 59.1 9.9 16 16 A S S S+ 0 0 42 1,-0.1 24,-2.8 23,-0.1 2,-0.5 0.930 86.4 63.2 -87.4 -39.8 9.6 58.5 13.3 17 17 A V E S-A 39 0A 8 22,-0.2 -6,-0.4 -6,-0.1 2,-0.4 -0.681 71.5-179.9 -94.9 123.4 10.8 55.0 12.7 18 18 A Q E -A 38 0A 0 20,-2.4 20,-2.7 -2,-0.5 2,-0.5 -0.970 30.3-135.2-130.5 135.1 13.3 54.8 9.9 19 19 A F E > -A 37 0A 0 -11,-1.4 4,-0.8 -12,-0.4 18,-0.2 -0.832 21.3-155.1 -84.4 126.2 15.3 52.0 8.3 20 20 A I H > S+ 0 0 0 16,-2.3 4,-2.3 -2,-0.5 5,-0.2 0.842 79.3 66.1 -79.2 -36.7 18.8 53.4 7.9 21 21 A K H > S+ 0 0 40 15,-0.5 4,-1.4 12,-0.4 3,-0.2 0.942 102.4 45.4 -53.0 -55.3 20.1 51.3 5.1 22 22 A P H 4 S+ 0 0 33 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.851 114.6 51.1 -62.3 -27.4 17.8 52.7 2.3 23 23 A I H < S+ 0 0 14 -4,-0.8 3,-0.4 1,-0.2 -2,-0.2 0.886 117.6 35.5 -73.7 -38.6 18.5 56.2 3.6 24 24 A L H >< S+ 0 0 2 -4,-2.3 3,-2.3 -3,-0.2 -1,-0.2 0.481 87.1 98.0 -98.6 2.7 22.3 56.0 3.6 25 25 A E T 3< S+ 0 0 125 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.808 79.6 58.8 -63.3 -29.6 22.7 53.8 0.5 26 26 A K T 3 S+ 0 0 163 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.567 89.0 100.8 -71.7 -12.0 23.4 56.9 -1.6 27 27 A L S X S- 0 0 60 -3,-2.3 3,-1.0 1,-0.1 2,-0.2 -0.669 71.1-129.6 -90.2 132.4 26.3 57.8 0.6 28 28 A E T 3 S+ 0 0 138 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.484 91.2 15.3 -63.5 143.8 29.9 57.1 -0.3 29 29 A N T 3 S+ 0 0 40 1,-0.2 32,-2.5 -2,-0.2 2,-0.4 0.719 101.3 109.4 62.6 22.4 32.0 55.3 2.3 30 30 A V E < -g 61 0B 22 -3,-1.0 2,-0.4 30,-0.2 32,-0.2 -0.999 41.2-178.7-124.3 135.6 28.9 54.2 4.4 31 31 A E E -g 62 0B 124 30,-2.2 32,-2.6 -2,-0.4 2,-0.4 -1.000 8.7-178.9-131.2 129.5 27.8 50.6 4.6 32 32 A V E -g 63 0B 15 -2,-0.4 32,-0.2 30,-0.2 2,-0.2 -0.992 20.1-125.1-135.0 138.5 24.6 49.7 6.6 33 33 A G > - 0 0 7 30,-1.6 3,-0.9 31,-1.0 -12,-0.4 -0.470 34.8 -90.0 -83.9 154.6 22.9 46.5 7.3 34 34 A E T 3 S+ 0 0 53 1,-0.2 32,-1.7 -2,-0.2 2,-0.3 -0.159 104.1 14.9 -54.4 147.0 19.3 45.5 6.8 35 35 A Y T 3 S+ 0 0 26 1,-0.2 -1,-0.2 30,-0.2 30,-0.1 0.054 82.9 134.5 73.8 -16.2 16.7 46.2 9.5 36 36 A S < - 0 0 0 -3,-0.9 -16,-2.3 -2,-0.3 -15,-0.5 -0.381 39.8-166.4 -60.5 138.1 18.8 48.5 11.5 37 37 A Y E -Ab 19 68A 10 30,-2.3 32,-2.8 -18,-0.2 2,-0.4 -0.850 24.4-141.3-136.1 156.8 16.6 51.5 12.5 38 38 A Y E -Ab 18 69A 0 -20,-2.7 -20,-2.4 -2,-0.3 2,-0.8 -0.961 11.4-147.6-116.0 138.3 16.6 55.0 13.8 39 39 A D E -A 17 0A 52 30,-2.2 -22,-0.2 -2,-0.4 33,-0.1 -0.887 31.5-132.3-104.1 100.0 14.0 56.3 16.2 40 40 A S - 0 0 11 -24,-2.8 5,-0.1 -2,-0.8 -23,-0.0 -0.231 11.3-152.0 -65.6 147.8 13.8 60.0 15.2 41 41 A K S S- 0 0 75 29,-0.1 -1,-0.1 1,-0.1 -25,-0.0 0.983 92.9 -6.3 -80.0 -51.7 13.9 62.7 17.8 42 42 A N S S- 0 0 149 -26,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.187 115.9 -75.5-131.1 15.2 11.9 65.3 15.9 43 43 A G S S+ 0 0 40 1,-0.4 -3,-0.1 -27,-0.1 2,-0.0 0.327 83.0 143.7 100.7 -4.1 11.4 63.8 12.5 44 44 A E - 0 0 43 1,-0.1 -1,-0.4 2,-0.1 2,-0.2 -0.368 52.2-118.7 -60.0 140.8 14.9 64.4 11.2 45 45 A T > - 0 0 26 1,-0.1 3,-2.1 -5,-0.1 4,-0.2 -0.575 24.8-110.7 -85.2 150.5 16.2 61.5 8.9 46 46 A F G > S+ 0 0 0 1,-0.3 3,-2.3 -2,-0.2 4,-0.4 0.751 110.3 73.2 -62.1 -22.7 19.3 59.7 10.1 47 47 A D G > S+ 0 0 33 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.834 91.7 61.1 -58.8 -26.0 21.6 61.1 7.4 48 48 A K G < S+ 0 0 119 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.595 96.7 60.0 -71.3 -15.5 21.4 64.3 9.4 49 49 A Q G < S+ 0 0 26 -3,-2.3 26,-2.5 -4,-0.2 2,-0.7 0.440 82.9 88.9 -97.7 -6.1 23.0 62.6 12.3 50 50 A I E < -k 75 0C 19 -3,-1.1 3,-0.3 -4,-0.4 2,-0.3 -0.866 67.4-167.6 -96.8 116.1 26.2 61.6 10.5 51 51 A L E +k 76 0C 39 24,-2.9 26,-2.7 -2,-0.7 28,-0.2 -0.725 51.0 3.6-114.5 149.2 28.6 64.5 11.0 52 52 A Y S S+ 0 0 48 -2,-0.3 27,-2.3 1,-0.2 2,-0.8 0.843 75.7 151.1 55.3 38.5 31.9 65.6 9.5 53 53 A H + 0 0 34 -3,-0.3 -1,-0.2 24,-0.2 3,-0.1 -0.875 17.6 175.9-109.2 102.8 32.0 62.8 7.0 54 54 A Y >> - 0 0 109 -2,-0.8 3,-1.7 1,-0.1 4,-0.5 -0.938 31.2-142.1-116.5 121.9 33.9 64.0 3.9 55 55 A P G >4 S+ 0 0 72 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.843 99.4 63.2 -49.7 -35.6 34.6 61.6 1.0 56 56 A I G 34 S+ 0 0 122 1,-0.3 49,-0.0 2,-0.1 -3,-0.0 0.758 95.9 57.9 -68.1 -23.1 38.1 63.2 0.5 57 57 A L G <4 S- 0 0 45 -3,-1.7 -1,-0.3 2,-0.1 -4,-0.0 0.653 96.7-145.8 -81.4 -11.6 39.2 62.0 4.0 58 58 A N << + 0 0 100 -3,-1.6 2,-0.2 -4,-0.5 -2,-0.1 0.498 44.3 144.7 58.6 17.5 38.4 58.4 2.9 59 59 A D - 0 0 7 -5,-0.4 2,-0.3 53,-0.1 -1,-0.2 -0.536 38.4-141.1 -81.9 142.7 37.2 57.2 6.4 60 60 A K - 0 0 68 -2,-0.2 54,-2.4 -30,-0.0 2,-0.5 -0.822 8.5-152.2-107.7 147.3 34.4 54.6 6.3 61 61 A L E -gh 30 114B 0 -32,-2.5 -30,-2.2 -2,-0.3 2,-0.4 -0.983 17.0-176.8-112.6 128.6 31.3 54.2 8.5 62 62 A K E -gh 31 115B 67 52,-2.4 54,-3.3 -2,-0.5 2,-0.4 -1.000 6.7-178.5-127.4 131.4 29.9 50.7 8.8 63 63 A I E -gh 32 116B 4 -32,-2.6 -30,-1.6 -2,-0.4 54,-0.2 -0.996 18.7-141.0-125.2 134.8 26.8 49.7 10.7 64 64 A G - 0 0 12 52,-1.3 -31,-1.0 53,-1.2 3,-0.4 0.184 32.1 -72.0 -79.6-161.1 25.6 46.0 10.9 65 65 A K S S+ 0 0 56 1,-0.2 54,-3.1 -33,-0.1 55,-0.3 -0.578 103.6 21.8 -98.1 158.0 22.2 44.5 10.8 66 66 A F S S+ 0 0 3 -32,-1.7 2,-0.2 -2,-0.2 -1,-0.2 0.756 81.6 155.0 56.5 34.0 19.4 44.5 13.4 67 67 A C - 0 0 0 -3,-0.4 -30,-2.3 52,-0.2 2,-0.5 -0.564 36.2-146.8 -89.3 146.6 20.7 47.6 15.2 68 68 A S E -bc 37 121A 0 52,-2.6 54,-2.6 -2,-0.2 2,-0.6 -0.971 13.4-169.3-113.4 114.7 18.6 50.0 17.3 69 69 A I E -bc 38 122A 3 -32,-2.8 -30,-2.2 -2,-0.5 54,-0.2 -0.908 15.1-141.5-111.0 115.5 19.7 53.6 17.1 70 70 A G > - 0 0 7 52,-3.1 3,-1.5 -2,-0.6 55,-0.1 -0.197 35.2 -71.1 -74.3 168.7 18.0 55.9 19.6 71 71 A P T 3 S+ 0 0 11 0, 0.0 54,-2.4 0, 0.0 55,-0.2 -0.242 113.5 13.3 -62.0 139.0 16.9 59.5 19.1 72 72 A G T 3 S+ 0 0 14 1,-0.3 -32,-0.1 52,-0.2 2,-0.1 0.476 80.9 153.0 82.2 -1.4 19.5 62.2 18.8 73 73 A V < - 0 0 1 -3,-1.5 2,-0.4 49,-0.1 -1,-0.3 -0.414 25.6-162.7 -56.2 137.5 22.5 59.8 18.3 74 74 A T E - l 0 127C 18 52,-2.2 54,-2.6 -2,-0.1 2,-0.5 -0.984 11.8-153.8-121.9 146.4 25.2 61.4 16.4 75 75 A I E -kl 50 128C 3 -26,-2.5 -24,-2.9 -2,-0.4 2,-0.6 -0.969 11.8-155.5-119.8 121.9 28.2 59.8 14.7 76 76 A I E -k 51 0C 11 52,-3.0 -24,-0.2 -2,-0.5 55,-0.1 -0.862 10.7-169.5-103.8 114.5 31.3 62.0 14.3 77 77 A M > - 0 0 0 -26,-2.7 3,-0.7 -2,-0.6 -24,-0.2 -0.014 43.6 -79.3 -93.3-167.2 33.6 61.1 11.4 78 78 A N G > S+ 0 0 9 1,-0.2 3,-1.5 2,-0.1 -25,-0.2 0.446 101.3 93.9 -82.5 -1.9 37.1 62.5 10.9 79 79 A G G 3 S+ 0 0 19 -27,-2.3 -1,-0.2 1,-0.3 -27,-0.1 0.588 79.9 57.0 -77.8 -7.2 36.3 65.8 9.3 80 80 A A G < S+ 0 0 30 -3,-0.7 -1,-0.3 -28,-0.2 -2,-0.1 0.472 80.8 116.8 -94.1 1.4 36.3 67.8 12.6 81 81 A N < - 0 0 18 -3,-1.5 2,-0.3 28,-0.1 -3,-0.0 -0.327 53.5-149.1 -64.8 148.0 39.9 66.8 13.3 82 82 A H - 0 0 25 26,-0.0 2,-0.2 243,-0.0 7,-0.1 -0.853 26.2 -98.2-109.7 154.9 42.5 69.6 13.5 83 83 A R + 0 0 27 -2,-0.3 25,-0.1 5,-0.2 24,-0.0 -0.458 45.1 176.6 -58.7 136.8 46.2 69.3 12.6 84 84 A M + 0 0 68 23,-0.4 4,-0.1 -2,-0.2 -1,-0.1 0.374 48.1 98.5-146.4 24.8 48.0 68.9 15.8 85 85 A D S S- 0 0 67 22,-0.3 2,-0.2 316,-0.2 317,-0.1 0.690 112.6 -9.4 -80.3 -9.1 51.7 68.4 15.5 86 86 A G S S+ 0 0 0 315,-0.3 315,-0.3 1,-0.3 2,-0.1 -0.370 128.2 2.5-146.1-127.7 51.9 72.1 16.3 87 87 A S - 0 0 2 313,-2.1 -1,-0.3 -2,-0.2 -2,-0.2 -0.420 51.7-149.7 -67.6 138.9 49.2 74.8 16.6 88 88 A T + 0 0 3 235,-0.3 -5,-0.2 -2,-0.1 -1,-0.1 0.414 60.7 121.1 -81.7 -5.2 45.7 73.5 16.1 89 89 A Y - 0 0 2 1,-0.1 2,-1.9 -7,-0.1 3,-0.2 -0.532 63.9-138.6 -69.3 125.0 44.7 76.9 14.7 90 90 A P > + 0 0 17 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.460 33.4 166.8 -87.6 68.3 43.3 76.3 11.1 91 91 A F G > + 0 0 1 -2,-1.9 3,-1.7 1,-0.3 4,-0.3 0.847 69.4 65.0 -46.0 -42.0 45.0 79.3 9.4 92 92 A N G > S+ 0 0 33 9,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.795 88.8 66.4 -58.7 -30.7 44.2 77.9 6.0 93 93 A L G < S+ 0 0 87 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.775 96.2 56.6 -63.3 -27.5 40.4 78.2 6.5 94 94 A F G < S- 0 0 4 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.465 85.7-167.9 -90.3 -1.2 40.6 82.0 6.5 95 95 A G X + 0 0 17 -3,-1.5 3,-2.2 -4,-0.3 -1,-0.2 -0.154 45.3 124.1 54.0-140.0 42.3 82.4 3.2 96 96 A N T 3 S- 0 0 103 1,-0.3 110,-3.0 110,-0.1 -1,-0.1 0.835 115.7 -37.1 47.0 39.4 43.7 85.9 2.3 97 97 A G T > S+ 0 0 14 108,-0.2 3,-1.2 -5,-0.1 -1,-0.3 -0.082 128.8 92.1 109.6 -27.7 47.0 84.2 1.7 98 98 A W G X + 0 0 0 -3,-2.2 3,-2.4 1,-0.3 -2,-0.1 0.616 60.7 86.7 -78.0 -8.9 46.8 81.6 4.5 99 99 A E G > S+ 0 0 105 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.784 74.0 74.1 -68.4 -13.7 45.3 79.0 2.2 100 100 A K G < S+ 0 0 135 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.706 88.1 62.1 -63.4 -20.3 48.8 78.1 1.3 101 101 A H G < S+ 0 0 15 -3,-2.4 -9,-0.3 -4,-0.1 -1,-0.3 0.135 71.1 142.0 -95.1 16.4 49.1 76.4 4.8 102 102 A M < - 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