==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-NOV-01 1KHR . COMPND 2 MOLECULE: STREPTOGRAMIN A ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR M.SUGANTINO,S.L.RODERICK . 1233 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 204 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 4.9 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 . 4 0.3 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 . 131 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 208 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 10 11 2 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 7 2 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 0 100 0, 0.0 303,-0.2 0, 0.0 302,-0.1 0.000 360.0 360.0 360.0 99.5 49.5 -2.5 41.7 2 2 A G - 0 0 20 301,-0.6 301,-0.1 299,-0.1 300,-0.1 -0.598 360.0 -48.4 132.6 166.3 51.1 0.5 40.0 3 3 A P - 0 0 9 0, 0.0 8,-0.1 0, 0.0 299,-0.0 -0.201 57.9-103.1 -65.5 160.4 49.8 3.9 38.8 4 4 A N > - 0 0 97 1,-0.1 3,-3.8 6,-0.1 -2,-0.0 -0.756 25.0-142.4 -86.7 106.0 46.6 4.3 36.7 5 5 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.577 98.6 67.3 -45.3 -8.6 47.9 4.9 33.2 6 6 A M T 3 S+ 0 0 104 15,-0.1 2,-0.3 16,-0.1 29,-0.0 0.521 77.2 99.8 -92.7 -8.2 45.0 7.4 32.9 7 7 A K < - 0 0 84 -3,-3.8 12,-0.3 1,-0.1 0, 0.0 -0.621 63.7-151.1 -79.2 136.2 46.5 9.8 35.5 8 8 A M S S+ 0 0 72 -2,-0.3 11,-2.3 1,-0.3 -1,-0.1 0.944 95.7 33.0 -71.7 -49.4 48.3 12.8 33.9 9 9 A Y S S+ 0 0 74 9,-0.2 -1,-0.3 1,-0.2 9,-0.2 -0.760 74.6 176.2-110.4 83.6 50.8 13.2 36.8 10 10 A P + 0 0 3 0, 0.0 -1,-0.2 0, 0.0 -6,-0.1 0.866 64.9 58.9 -52.6 -51.1 51.3 9.5 38.0 11 11 A I S S- 0 0 31 6,-0.3 3,-0.5 3,-0.2 2,-0.4 -0.427 94.1-114.2 -77.6 160.3 53.9 10.2 40.6 12 12 A E S S+ 0 0 142 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.794 88.0 13.1-110.1 146.6 52.8 12.6 43.4 13 13 A G S S+ 0 0 92 -2,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.948 105.6 108.8 62.5 43.7 54.0 16.0 44.3 14 14 A N + 0 0 55 -3,-0.5 -3,-0.2 -5,-0.1 -1,-0.2 -0.772 38.8 170.8-156.0 102.4 55.7 15.9 40.9 15 15 A K S S+ 0 0 69 -2,-0.2 3,-0.1 1,-0.1 -3,-0.0 0.090 74.0 71.6-100.5 21.9 54.5 17.9 38.0 16 16 A S S S+ 0 0 40 1,-0.1 24,-3.0 23,-0.1 2,-0.5 0.811 85.2 62.4-102.7 -41.9 57.5 17.0 35.9 17 17 A V E S+A 39 0A 10 22,-0.2 2,-0.3 20,-0.1 -6,-0.3 -0.769 70.5 176.9 -88.5 126.4 56.8 13.3 35.1 18 18 A Q E -A 38 0A 0 20,-1.9 20,-2.1 -2,-0.5 2,-0.6 -0.972 34.8-123.1-135.8 147.1 53.7 12.9 33.0 19 19 A F E > -A 37 0A 0 -11,-2.3 4,-0.8 -12,-0.3 18,-0.2 -0.788 24.8-152.7 -86.1 122.2 51.8 10.0 31.3 20 20 A I H > S+ 0 0 0 16,-1.6 4,-2.9 -2,-0.6 5,-0.4 0.878 79.9 68.8 -64.6 -45.5 51.5 11.0 27.6 21 21 A K H > S+ 0 0 52 15,-0.5 4,-2.6 12,-0.5 5,-0.2 0.892 99.6 47.7 -43.8 -58.4 48.3 9.2 26.6 22 22 A P H > S+ 0 0 35 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.895 118.4 42.9 -52.7 -41.7 45.9 11.3 28.7 23 23 A I H >< S+ 0 0 25 -4,-0.8 3,-0.5 -3,-0.4 -2,-0.2 0.943 122.0 34.4 -71.4 -51.5 47.5 14.5 27.4 24 24 A L H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 -3,-0.2 0.647 96.6 83.6 -80.7 -16.1 47.9 13.6 23.7 25 25 A E H 3< S+ 0 0 66 -4,-2.6 2,-0.7 -5,-0.4 -1,-0.2 0.875 83.6 64.2 -53.8 -36.8 44.7 11.6 23.4 26 26 A K T << S+ 0 0 89 -3,-0.5 2,-0.4 -4,-0.5 -1,-0.3 -0.075 90.1 97.0 -78.6 35.3 42.9 14.9 22.9 27 27 A L S X S- 0 0 73 -3,-1.1 3,-0.8 -2,-0.7 2,-0.2 -0.982 76.4-118.5-131.2 140.4 44.8 15.4 19.7 28 28 A E T 3 S+ 0 0 133 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.535 95.9 9.3 -75.4 137.9 43.9 14.7 16.1 29 29 A N T 3 S+ 0 0 29 -2,-0.2 32,-1.8 1,-0.2 2,-0.4 0.862 99.2 115.8 61.4 44.1 46.2 12.2 14.3 30 30 A V E < -g 61 0B 18 -3,-0.8 2,-0.5 30,-0.2 32,-0.2 -0.994 41.1-170.5-142.7 131.6 48.1 11.0 17.4 31 31 A E E -g 62 0B 108 30,-3.3 32,-2.9 -2,-0.4 2,-0.4 -0.965 10.9-175.0-127.2 115.7 48.1 7.5 18.9 32 32 A V E -g 63 0B 15 -2,-0.5 32,-0.2 30,-0.2 33,-0.1 -0.912 18.3-130.3-116.8 136.4 49.8 7.0 22.3 33 33 A G - 0 0 8 30,-2.9 -12,-0.5 31,-1.0 32,-0.2 -0.123 30.5-102.3 -71.0 177.3 50.4 3.8 24.3 34 34 A E S S+ 0 0 61 1,-0.2 -13,-0.2 -14,-0.1 31,-0.1 0.939 102.6 24.3 -75.4 -55.8 49.6 3.4 27.9 35 35 A Y S S+ 0 0 21 -16,-0.1 -1,-0.2 -15,-0.1 30,-0.1 0.619 84.9 122.7 -92.2 -5.6 52.5 3.6 30.3 36 36 A S - 0 0 0 28,-0.3 -16,-1.6 27,-0.1 -15,-0.5 -0.245 43.0-171.7 -55.7 132.9 54.8 5.7 28.2 37 37 A Y E -Ab 19 68A 16 30,-2.6 32,-1.4 -18,-0.2 2,-0.4 -0.740 21.7-138.7-125.9 174.9 55.9 8.9 29.9 38 38 A Y E -Ab 18 69A 0 -20,-2.1 -20,-1.9 -2,-0.2 2,-1.1 -0.993 12.2-143.5-138.5 124.9 57.7 12.2 29.4 39 39 A D E -A 17 0A 46 30,-2.5 -22,-0.2 -2,-0.4 33,-0.1 -0.763 30.6-130.4 -92.3 95.8 60.1 13.8 31.9 40 40 A S - 0 0 11 -24,-3.0 5,-0.1 -2,-1.1 -24,-0.0 -0.022 11.7-154.9 -45.7 143.3 59.4 17.5 31.5 41 41 A K S S- 0 0 82 3,-0.2 -1,-0.1 29,-0.1 -25,-0.1 0.609 88.9 -5.3 -97.7 -15.5 62.4 19.8 31.1 42 42 A N S S- 0 0 147 2,-0.2 3,-0.1 -26,-0.1 -1,-0.1 0.147 115.2 -72.6-167.6 29.2 60.8 22.9 32.5 43 43 A G S S+ 0 0 45 1,-0.3 -3,-0.1 -27,-0.1 0, 0.0 -0.053 87.4 136.6 99.1 -32.4 57.1 22.2 33.3 44 44 A E - 0 0 43 1,-0.1 -1,-0.3 2,-0.1 -3,-0.2 -0.183 54.0-124.0 -53.3 133.9 56.0 22.1 29.6 45 45 A T > - 0 0 28 -3,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.482 26.8-107.4 -77.9 153.3 53.6 19.3 28.7 46 46 A F G > S+ 0 0 1 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.703 110.4 72.1 -55.5 -28.0 54.5 17.0 25.9 47 47 A D G > S+ 0 0 48 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.814 91.7 61.3 -59.8 -27.9 52.0 18.3 23.3 48 48 A K G < S+ 0 0 125 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.661 96.1 62.6 -72.1 -13.8 54.2 21.4 23.1 49 49 A Q G < S+ 0 0 24 -3,-2.0 26,-2.2 -4,-0.3 2,-0.7 0.599 82.6 84.9 -88.1 -11.2 57.0 19.1 21.9 50 50 A I E < -k 75 0C 18 -3,-1.1 2,-0.3 -4,-0.4 3,-0.3 -0.838 68.7-164.6 -94.4 115.9 55.3 18.0 18.7 51 51 A L E +k 76 0C 49 24,-3.0 26,-2.5 -2,-0.7 28,-0.2 -0.797 54.4 8.0-110.3 148.7 55.9 20.6 16.0 52 52 A Y S S+ 0 0 50 -2,-0.3 27,-1.8 1,-0.2 2,-0.8 0.905 72.5 156.5 56.2 51.0 54.4 21.4 12.6 53 53 A H + 0 0 38 -3,-0.3 -1,-0.2 25,-0.1 3,-0.1 -0.840 11.0 171.4-109.5 96.0 51.5 18.9 13.0 54 54 A Y >> - 0 0 112 -2,-0.8 3,-1.5 1,-0.1 4,-0.5 -0.914 30.9-145.1-107.1 120.0 48.7 20.1 10.7 55 55 A P G >4 S+ 0 0 60 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.849 94.1 71.4 -51.0 -37.0 45.7 17.7 10.2 56 56 A I G 34 S+ 0 0 123 1,-0.3 -3,-0.0 2,-0.1 49,-0.0 0.845 95.3 51.0 -50.5 -38.6 45.4 18.8 6.6 57 57 A L G <4 S- 0 0 25 -3,-1.5 -1,-0.3 2,-0.1 -4,-0.0 0.643 100.2-145.8 -75.6 -11.6 48.5 17.0 5.6 58 58 A N << + 0 0 100 -3,-2.1 2,-0.3 -4,-0.5 -2,-0.1 0.636 41.1 150.5 57.2 23.1 47.1 13.9 7.3 59 59 A D - 0 0 3 -5,-0.4 2,-0.3 53,-0.1 -1,-0.2 -0.629 34.5-141.7 -83.3 144.6 50.4 12.5 8.6 60 60 A K - 0 0 78 -2,-0.3 54,-1.8 -30,-0.0 2,-0.5 -0.783 8.2-147.3-111.0 153.4 50.0 10.5 11.9 61 61 A L E -gh 30 114B 0 -32,-1.8 -30,-3.3 -2,-0.3 2,-0.4 -0.959 18.9-177.1-120.6 114.9 52.1 10.1 15.0 62 62 A K E -gh 31 115B 67 52,-2.3 54,-2.4 -2,-0.5 2,-0.4 -0.902 5.0-177.4-114.8 141.7 52.1 6.8 16.8 63 63 A I E -gh 32 116B 5 -32,-2.9 -30,-2.9 -2,-0.4 54,-0.2 -0.937 16.6-139.6-141.4 116.3 53.8 5.9 20.1 64 64 A G - 0 0 14 52,-2.8 -31,-1.0 53,-0.5 3,-0.3 0.418 33.2 -76.3 -55.8-163.5 53.9 2.4 21.8 65 65 A K S S+ 0 0 40 1,-0.2 54,-2.3 -32,-0.2 55,-0.4 -0.588 100.7 22.4 -99.3 163.3 53.6 1.5 25.5 66 66 A F S S+ 0 0 2 -2,-0.2 2,-0.4 52,-0.2 -1,-0.2 0.920 78.5 161.4 48.0 54.3 56.2 1.7 28.3 67 67 A C - 0 0 0 -3,-0.3 -30,-2.6 52,-0.2 2,-0.7 -0.867 34.9-145.9-106.6 138.8 58.3 4.3 26.6 68 68 A S E -bc 37 121A 0 52,-1.8 54,-2.3 -2,-0.4 2,-0.7 -0.915 19.0-169.3-101.6 108.1 60.8 6.4 28.6 69 69 A I E -bc 38 122A 4 -32,-1.4 -30,-2.5 -2,-0.7 54,-0.1 -0.880 11.5-142.7-107.4 112.2 60.8 9.9 27.0 70 70 A G > - 0 0 10 52,-2.4 3,-1.3 -2,-0.7 56,-0.1 -0.181 33.1 -80.5 -65.5 160.6 63.6 12.2 28.2 71 71 A P T 3 S+ 0 0 10 0, 0.0 54,-2.3 0, 0.0 55,-0.2 -0.255 110.2 16.4 -63.5 145.8 63.2 15.9 28.7 72 72 A G T 3 S+ 0 0 10 1,-0.2 52,-0.1 52,-0.2 -32,-0.1 0.321 79.6 153.5 77.7 -9.3 63.4 18.2 25.7 73 73 A V < - 0 0 2 -3,-1.3 2,-0.4 52,-0.2 -1,-0.2 -0.282 29.8-154.2 -54.0 134.5 62.9 15.5 23.1 74 74 A T E - l 0 127C 22 52,-3.5 54,-2.8 -3,-0.1 2,-0.5 -0.938 12.5-155.0-121.4 140.3 61.4 17.0 20.0 75 75 A I E -kl 50 128C 1 -26,-2.2 -24,-3.0 -2,-0.4 2,-0.6 -0.950 8.5-160.6-114.0 123.7 59.2 15.6 17.3 76 76 A I E -k 51 0C 9 52,-3.1 -24,-0.2 -2,-0.5 2,-0.1 -0.914 10.5-167.5-107.8 117.5 59.1 17.2 13.8 77 77 A M > - 0 0 0 -26,-2.5 3,-1.0 -2,-0.6 -24,-0.1 -0.300 40.5 -86.9 -94.1 179.8 56.2 16.4 11.6 78 78 A N G > S+ 0 0 2 1,-0.2 3,-1.5 34,-0.2 -25,-0.1 0.520 102.1 93.5 -67.3 -4.8 55.6 17.1 7.8 79 79 A G G 3 S+ 0 0 19 -27,-1.8 -1,-0.2 1,-0.2 -27,-0.1 0.604 81.7 54.2 -66.8 -7.7 54.3 20.6 8.3 80 80 A A G < S+ 0 0 31 -3,-1.0 2,-0.3 -28,-0.2 -1,-0.2 0.465 77.9 121.5-103.9 -1.7 57.7 22.2 7.9 81 81 A N < - 0 0 49 -3,-1.5 2,-0.2 28,-0.1 3,-0.0 -0.454 50.9-149.9 -69.0 124.4 58.5 20.6 4.5 82 82 A H - 0 0 32 -2,-0.3 2,-0.1 1,-0.1 6,-0.1 -0.622 27.4-102.4 -89.3 152.0 59.1 23.1 1.7 83 83 A R + 0 0 31 -2,-0.2 25,-0.1 25,-0.1 -1,-0.1 -0.470 41.6 178.8 -69.5 146.2 58.2 22.2 -1.8 84 84 A M + 0 0 73 23,-0.4 4,-0.1 -2,-0.1 -1,-0.1 0.140 48.2 105.2-144.2 31.7 61.4 21.3 -3.7 85 85 A D S S- 0 0 65 525,-0.4 526,-0.2 2,-0.2 2,-0.1 0.723 111.7 -19.3 -77.9 -19.6 60.8 20.3 -7.3 86 86 A G S S+ 0 0 1 524,-0.4 524,-0.2 1,-0.4 2,-0.1 -0.258 124.8 10.5-146.9-124.7 62.3 23.7 -7.9 87 87 A S - 0 0 3 522,-2.1 -1,-0.4 1,-0.1 -2,-0.2 -0.413 53.1-149.2 -70.5 145.7 62.7 26.8 -5.7 88 88 A T + 0 0 4 444,-0.3 -1,-0.1 391,-0.1 -5,-0.1 0.186 55.8 121.8-100.3 14.9 62.1 26.4 -2.0 89 89 A Y - 0 0 2 1,-0.1 2,-3.4 -7,-0.1 3,-0.3 -0.690 64.6-133.7 -83.3 117.2 60.9 30.0 -1.3 90 90 A P >> + 0 0 19 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.252 39.8 162.8 -68.0 64.0 57.4 30.0 0.2 91 91 A F G >4 S+ 0 0 1 -2,-3.4 3,-2.2 1,-0.3 4,-0.5 0.922 71.6 58.8 -44.8 -54.0 56.1 32.8 -2.2 92 92 A N G >4 S+ 0 0 38 1,-0.3 3,-1.1 9,-0.3 -1,-0.3 0.778 92.6 69.6 -46.0 -36.9 52.5 31.8 -1.4 93 93 A L G <4 S+ 0 0 77 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.768 96.8 51.0 -55.5 -32.2 53.2 32.5 2.3 94 94 A F G << S- 0 0 6 -3,-2.2 -1,-0.2 -4,-0.5 -2,-0.2 0.552 85.5-169.3 -87.9 -11.5 53.5 36.3 1.7 95 95 A G X + 0 0 12 -3,-1.1 3,-2.4 -4,-0.5 -1,-0.2 -0.247 44.2 124.0 61.7-141.9 50.3 36.9 -0.2 96 96 A N T 3 S- 0 0 103 1,-0.3 319,-2.2 2,-0.1 -1,-0.1 0.867 115.7 -33.7 48.6 43.3 49.7 40.3 -1.9 97 97 A G T > S+ 0 0 19 317,-0.2 3,-1.1 -5,-0.1 -1,-0.3 -0.091 128.8 90.2 107.4 -33.6 49.2 38.4 -5.2 98 98 A W G X + 0 0 1 -3,-2.4 3,-2.6 1,-0.2 -6,-0.1 0.700 62.2 87.6 -69.7 -20.5 51.6 35.6 -4.6 99 99 A E G > + 0 0 108 1,-0.3 3,-2.5 2,-0.2 -1,-0.2 0.768 68.2 80.6 -48.2 -30.2 49.0 33.4 -2.9 100 100 A K G < S+ 0 0 160 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.759 87.5 59.6 -48.8 -28.0 48.1 32.1 -6.5 101 101 A H G < + 0 0 17 -3,-2.6 -1,-0.3 -4,-0.1 -9,-0.3 0.210 68.3 145.9 -92.4 16.9 51.0 29.8 -6.0 102 102 A M < - 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