==== 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 06-DEC-01 1KK6 . COMPND 2 MOLECULE: STREPTOGRAMIN A ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR M.SUGANTINO,S.L.RODERICK . 619 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 5.3 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 . 3 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 . 66 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 3 7 2 1 0 0 3 0 0 0 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 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 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 1 A M 0 0 118 0, 0.0 304,-0.2 0, 0.0 303,-0.1 0.000 360.0 360.0 360.0 143.2 -35.5 -37.3 70.5 2 2 A G - 0 0 8 302,-3.9 302,-0.1 301,-0.3 2,-0.0 -0.074 360.0 -59.6 82.0 168.1 -32.0 -36.7 71.7 3 3 A P - 0 0 12 0, 0.0 8,-0.1 0, 0.0 300,-0.1 -0.231 53.0 -99.1 -79.4 173.6 -30.6 -37.8 75.1 4 4 A N > - 0 0 75 6,-0.2 3,-1.8 1,-0.1 -2,-0.1 -0.872 25.3-152.8 -96.1 116.7 -31.8 -36.9 78.6 5 5 A P T 3 S+ 0 0 33 0, 0.0 16,-0.1 0, 0.0 -1,-0.1 0.633 93.4 62.1 -63.3 -15.2 -29.5 -34.1 79.9 6 6 A M T 3 S+ 0 0 149 15,-0.1 2,-0.3 16,-0.1 3,-0.0 0.571 82.3 99.0 -88.4 -11.1 -30.2 -35.2 83.4 7 7 A K < - 0 0 94 -3,-1.8 12,-0.3 1,-0.1 14,-0.1 -0.625 65.2-149.9 -81.3 136.1 -28.7 -38.6 82.8 8 8 A M S S+ 0 0 69 -2,-0.3 11,-1.7 1,-0.3 -1,-0.1 0.837 96.6 30.9 -71.0 -38.2 -25.1 -39.0 84.1 9 9 A Y S S- 0 0 74 9,-0.2 -1,-0.3 1,-0.1 5,-0.2 -0.774 72.9-176.8-124.5 83.9 -24.3 -41.6 81.4 10 10 A P + 0 0 8 0, 0.0 2,-0.7 0, 0.0 -6,-0.2 0.820 66.3 70.7 -47.6 -43.2 -26.5 -40.6 78.3 11 11 A I S > S- 0 0 37 6,-0.4 3,-0.8 3,-0.2 5,-0.1 -0.725 90.3-120.8 -88.1 115.4 -25.4 -43.6 76.2 12 12 A E T 3 S+ 0 0 179 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 -0.130 93.1 11.2 -53.3 142.6 -26.7 -47.0 77.4 13 13 A G T 3 S+ 0 0 92 1,-0.1 2,-0.3 -4,-0.1 -1,-0.2 0.904 105.8 109.6 54.4 42.6 -24.2 -49.6 78.4 14 14 A N < + 0 0 59 -3,-0.8 -3,-0.2 -5,-0.2 -1,-0.1 -0.794 37.5 173.5-152.4 105.6 -21.5 -47.0 78.2 15 15 A K S S+ 0 0 69 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.190 70.3 73.6 -98.3 17.3 -19.7 -45.7 81.3 16 16 A S S S+ 0 0 44 1,-0.1 24,-2.6 -5,-0.1 2,-0.5 0.883 86.3 57.8 -94.7 -48.3 -17.1 -43.6 79.4 17 17 A V E +A 39 0A 9 22,-0.2 -6,-0.4 -6,-0.1 2,-0.3 -0.745 68.9 178.4 -89.4 127.9 -19.0 -40.6 78.2 18 18 A Q E -A 38 0A 0 20,-2.2 20,-2.1 -2,-0.5 2,-0.6 -0.901 33.2-120.8-128.4 156.2 -20.8 -38.6 80.8 19 19 A F E > -A 37 0A 0 -11,-1.7 4,-0.7 -2,-0.3 18,-0.2 -0.857 25.6-148.6 -94.0 127.0 -22.9 -35.5 80.9 20 20 A I H > S+ 0 0 0 16,-2.4 4,-2.7 -2,-0.6 5,-0.4 0.743 83.3 66.1 -72.1 -26.1 -21.1 -33.0 83.1 21 21 A K H > S+ 0 0 44 15,-0.5 4,-2.2 12,-0.4 5,-0.3 0.956 97.5 52.3 -63.7 -51.6 -24.0 -31.1 84.6 22 22 A P H 4 S+ 0 0 35 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.868 118.0 41.0 -51.0 -36.5 -25.5 -34.0 86.6 23 23 A I H < S+ 0 0 8 -4,-0.7 3,-0.4 2,-0.1 -2,-0.2 0.945 122.0 33.8 -78.3 -54.8 -22.1 -34.6 88.2 24 24 A L H >< S+ 0 0 0 -4,-2.7 3,-4.2 1,-0.2 -3,-0.2 0.885 100.7 75.4 -71.1 -41.7 -20.7 -31.1 88.8 25 25 A E T 3< S+ 0 0 123 -4,-2.2 -1,-0.2 -5,-0.4 5,-0.2 0.800 84.9 69.2 -38.0 -38.7 -24.0 -29.4 89.7 26 26 A K T 3 S+ 0 0 154 -3,-0.4 -1,-0.3 -4,-0.4 2,-0.2 0.552 94.1 84.6 -61.5 -6.3 -23.8 -31.2 93.0 27 27 A L S X S- 0 0 64 -3,-4.2 3,-0.6 3,-0.1 2,-0.2 -0.551 82.0 -99.5-105.8 167.2 -20.8 -28.9 93.8 28 28 A E T 3 S+ 0 0 131 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.558 96.4 0.9 -82.3 138.7 -20.1 -25.4 95.2 29 29 A N T 3 S+ 0 0 38 -2,-0.2 32,-1.8 1,-0.2 2,-0.4 0.858 101.1 120.4 53.6 41.4 -19.4 -22.4 93.1 30 30 A V E < -g 61 0B 15 -3,-0.6 2,-0.4 30,-0.2 32,-0.2 -0.999 39.2-175.6-139.5 131.5 -19.7 -24.4 89.9 31 31 A E E -g 62 0B 92 30,-2.1 32,-2.2 -2,-0.4 2,-0.3 -0.996 10.4-179.8-126.4 130.9 -22.1 -23.8 87.0 32 32 A V E -g 63 0B 8 -2,-0.4 32,-0.2 30,-0.2 33,-0.1 -0.969 25.6-115.6-133.7 148.4 -22.3 -26.2 84.1 33 33 A G - 0 0 4 31,-1.3 -12,-0.4 30,-0.8 3,-0.3 -0.431 29.2-113.6 -79.9 159.1 -24.4 -26.4 80.9 34 34 A E S S+ 0 0 63 1,-0.2 -13,-0.2 -2,-0.1 31,-0.1 0.792 105.2 32.6 -63.3 -38.1 -26.9 -29.1 80.2 35 35 A Y S S+ 0 0 24 -16,-0.1 -1,-0.2 -15,-0.1 30,-0.1 0.534 81.2 120.0-104.3 -3.9 -25.3 -30.9 77.2 36 36 A S - 0 0 0 -3,-0.3 -16,-2.4 28,-0.3 -15,-0.5 -0.351 45.6-166.7 -59.8 134.3 -21.6 -30.6 77.8 37 37 A Y E -Ab 19 68A 13 30,-2.2 32,-2.0 -18,-0.2 2,-0.4 -0.801 18.2-143.1-125.0 167.8 -19.9 -34.0 78.1 38 38 A Y E -Ab 18 69A 0 -20,-2.1 -20,-2.2 -2,-0.3 2,-1.1 -0.998 12.4-142.2-130.3 132.0 -16.6 -35.5 79.2 39 39 A D E -A 17 0A 46 30,-2.4 -22,-0.2 -2,-0.4 33,-0.1 -0.786 31.7-130.1 -95.4 94.8 -15.0 -38.5 77.5 40 40 A S - 0 0 7 -24,-2.6 5,-0.1 -2,-1.1 -23,-0.0 -0.084 15.7-159.5 -47.3 138.6 -13.6 -40.4 80.5 41 41 A K S S+ 0 0 95 29,-0.1 -1,-0.1 3,-0.1 -25,-0.0 0.906 88.3 0.4 -86.1 -49.6 -9.9 -41.3 80.2 42 42 A N S S- 0 0 147 -26,-0.1 -2,-0.1 2,-0.0 -1,-0.0 0.255 117.6 -79.5-124.5 8.1 -9.8 -44.1 82.7 43 43 A G S S+ 0 0 46 1,-0.3 -3,-0.1 -27,-0.1 -26,-0.0 0.243 85.3 140.9 110.9 -11.4 -13.3 -44.2 84.0 44 44 A E - 0 0 40 1,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.148 53.3-116.3 -61.6 157.0 -13.0 -41.3 86.3 45 45 A T > - 0 0 24 1,-0.1 3,-2.9 -5,-0.1 4,-0.4 -0.772 27.5-112.4 -96.1 142.6 -15.9 -38.8 86.7 46 46 A F G > S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 4,-0.2 0.678 111.1 73.8 -49.8 -18.9 -15.2 -35.2 85.7 47 47 A D G > S+ 0 0 26 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.795 90.4 59.3 -67.5 -22.6 -15.4 -34.0 89.3 48 48 A K G < S+ 0 0 129 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.630 96.2 63.5 -78.3 -11.9 -12.0 -35.6 89.8 49 49 A Q G < S+ 0 0 28 -3,-1.4 26,-2.4 -4,-0.4 2,-0.7 0.404 81.8 86.7 -92.9 1.8 -10.5 -33.4 87.2 50 50 A I E < -k 75 0C 23 -3,-1.0 3,-0.3 24,-0.2 2,-0.3 -0.914 67.4-165.0-106.0 110.8 -11.1 -30.1 89.0 51 51 A L E +k 76 0C 39 24,-2.2 26,-2.5 -2,-0.7 28,-0.3 -0.686 54.1 3.3-102.8 150.5 -8.2 -29.5 91.3 52 52 A Y S S+ 0 0 54 -2,-0.3 27,-2.4 1,-0.2 2,-0.8 0.828 74.3 156.2 51.1 42.3 -7.7 -27.1 94.3 53 53 A H + 0 0 39 -3,-0.3 -1,-0.2 25,-0.2 -25,-0.1 -0.855 14.0 175.7-102.0 106.3 -11.2 -25.8 94.3 54 54 A Y >> - 0 0 110 -2,-0.8 3,-1.8 1,-0.1 4,-0.9 -0.944 31.8-142.9-116.8 121.8 -12.0 -24.4 97.8 55 55 A P G >4 S+ 0 0 68 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.830 99.4 63.5 -44.8 -41.8 -15.2 -22.6 98.7 56 56 A I G 34 S+ 0 0 95 1,-0.3 -3,-0.0 2,-0.1 49,-0.0 0.809 97.4 53.6 -57.7 -34.3 -13.4 -20.3 101.0 57 57 A L G <4 S- 0 0 31 -3,-1.8 -1,-0.3 2,-0.1 53,-0.0 0.735 99.8-146.3 -73.8 -20.5 -11.3 -18.8 98.1 58 58 A N << + 0 0 100 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.1 0.833 42.0 147.7 60.8 38.1 -14.6 -18.1 96.5 59 59 A D - 0 0 0 -5,-0.5 2,-0.3 54,-0.0 -1,-0.2 -0.841 34.2-145.2-102.4 141.2 -13.6 -18.6 92.9 60 60 A K - 0 0 63 -2,-0.4 54,-2.2 -30,-0.0 2,-0.5 -0.738 6.5-147.5-108.0 157.6 -16.1 -20.0 90.5 61 61 A L E -gh 30 114B 0 -32,-1.8 -30,-2.1 -2,-0.3 2,-0.4 -0.989 16.6-168.1-121.8 127.8 -15.9 -22.3 87.5 62 62 A K E -gh 31 115B 62 52,-2.9 54,-3.2 -2,-0.5 2,-0.4 -0.974 7.2-179.5-121.1 133.0 -18.3 -21.8 84.7 63 63 A I E -gh 32 116B 7 -32,-2.2 -30,-0.8 -2,-0.4 54,-0.2 -0.995 15.8-146.2-133.3 124.6 -18.8 -24.2 81.8 64 64 A G - 0 0 12 52,-1.6 -31,-1.3 53,-0.8 3,-0.3 0.230 30.4 -75.9 -72.3-160.8 -21.3 -23.5 79.0 65 65 A K S S+ 0 0 46 1,-0.2 54,-3.1 -33,-0.1 55,-0.3 -0.622 101.5 21.6-102.4 160.4 -23.5 -25.9 77.0 66 66 A F S S+ 0 0 2 -2,-0.2 2,-0.3 52,-0.2 -1,-0.2 0.874 80.8 156.8 53.2 43.0 -22.7 -28.3 74.2 67 67 A C - 0 0 0 -3,-0.3 -30,-2.2 52,-0.2 2,-0.6 -0.746 36.7-144.1 -97.2 146.7 -19.0 -28.4 75.1 68 68 A S E -bc 37 121A 0 52,-3.0 54,-2.6 -2,-0.3 2,-0.7 -0.928 17.9-171.7-114.1 106.4 -16.8 -31.4 74.1 69 69 A I E -bc 38 122A 1 -32,-2.0 -30,-2.4 -2,-0.6 54,-0.2 -0.869 13.2-142.7-105.4 114.4 -14.3 -32.2 76.8 70 70 A G > - 0 0 9 52,-2.4 3,-1.3 -2,-0.7 -29,-0.1 -0.104 35.0 -74.5 -67.8 167.8 -11.6 -34.7 76.0 71 71 A P T 3 S+ 0 0 10 0, 0.0 54,-2.0 0, 0.0 55,-0.2 -0.336 113.0 15.8 -65.0 140.7 -10.2 -37.4 78.3 72 72 A G T 3 S+ 0 0 8 1,-0.2 -32,-0.1 52,-0.2 52,-0.1 0.412 79.9 158.3 79.4 -1.8 -7.7 -36.3 81.0 73 73 A V < - 0 0 0 -3,-1.3 2,-0.4 52,-0.1 -1,-0.2 -0.292 25.2-156.7 -57.0 138.6 -8.6 -32.6 80.7 74 74 A T E - l 0 127C 18 52,-3.1 54,-3.7 -3,-0.1 2,-0.5 -0.980 13.1-163.3-127.1 133.5 -7.6 -30.8 83.9 75 75 A I E -kl 50 128C 1 -26,-2.4 -24,-2.2 -2,-0.4 2,-0.6 -0.965 10.4-156.8-117.2 117.6 -8.9 -27.6 85.3 76 76 A I E -k 51 0C 12 52,-3.5 -24,-0.2 -2,-0.5 2,-0.1 -0.838 9.1-166.5 -99.3 120.1 -6.8 -25.9 88.0 77 77 A M > - 0 0 0 -26,-2.5 3,-0.7 -2,-0.6 -24,-0.1 -0.387 39.6 -91.0 -94.7 178.6 -8.5 -23.6 90.4 78 78 A N G > S+ 0 0 3 1,-0.2 3,-1.4 -2,-0.1 -25,-0.2 0.376 94.1 104.1 -74.5 4.1 -6.9 -21.1 92.8 79 79 A G G 3 S+ 0 0 17 -27,-2.4 -1,-0.2 -28,-0.3 -27,-0.2 0.572 83.1 45.5 -64.6 -6.7 -6.7 -23.4 95.8 80 80 A A G < S+ 0 0 31 -3,-0.7 2,-0.5 -28,-0.2 -1,-0.3 0.041 73.6 126.2-127.9 31.0 -3.0 -24.0 95.3 81 81 A N < - 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0 0 109 -3,-0.8 -3,-0.0 -10,-0.1 -11,-0.0 -0.507 57.5-101.6 -73.4 136.4 -1.3 -18.5 107.8 103 103 A P - 0 0 33 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.212 26.3-128.0 -58.6 142.2 -2.2 -16.2 104.9 104 104 A K > - 0 0 142 1,-0.1 3,-3.4 -3,-0.1 4,-0.4 -0.850 30.2-112.0 -94.3 128.5 -5.1 -13.8 105.3 105 105 A L G > S+ 0 0 100 -2,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.706 118.2 58.9 -26.5 -40.7 -7.5 -14.3 102.4 106 106 A D G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.280 96.0 62.1 -81.7 14.6 -6.5 -10.8 101.1 107 107 A Q G < S+ 0 0 49 -3,-3.4 -23,-0.4 1,-0.2 -1,-0.3 0.306 97.1 63.5-112.8 1.2 -2.9 -11.9 100.8 108 108 A L S < S- 0 0 42 -3,-1.5 -1,-0.2 -4,-0.4 -27,-0.1 -0.597 75.8-177.4-124.3 66.0 -3.9 -14.6 98.3 109 109 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.196 11.2-148.2 -64.3 160.1 -5.3 -12.6 95.3 110 110 A I - 0 0 62 1,-0.1 3,-0.1 -53,-0.0 -2,-0.0 -0.958 17.2-135.0-130.4 147.8 -6.8 -14.3 92.3 111 111 A K - 0 0 181 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.949 68.6 -82.4 -65.6 -48.7 -6.9 -13.2 88.7 112 112 A G - 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