==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 03-MAR-08 2VPQ . COMPND 2 MOLECULE: ACETYL-COA CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR I.MOCHALKIN . 895 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 646 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 72 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 1 4 0 0 7 3 4 2 0 3 1 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 2 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 . 5 2 2 7 3 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 1 3 0 0 0 2 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 2 A K 0 0 173 0, 0.0 24,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -48.8 4.8 22.7 36.7 2 3 A K E -a 25 0A 36 22,-0.2 72,-2.9 70,-0.1 73,-1.3 -0.986 360.0-172.3-140.1 129.5 8.5 21.6 37.2 3 4 A V E -ab 26 75A 7 22,-3.3 24,-2.4 -2,-0.4 2,-0.5 -0.957 15.8-145.5-124.9 132.9 9.9 18.8 39.4 4 5 A L E -ab 27 76A 0 71,-2.2 73,-2.5 -2,-0.4 2,-0.8 -0.845 17.3-142.6 -90.4 131.5 13.5 17.9 40.2 5 6 A I E -ab 28 77A 0 22,-2.8 2,-1.6 -2,-0.5 24,-0.7 -0.867 9.2-162.6 -99.6 107.4 14.0 14.1 40.6 6 7 A A + 0 0 0 71,-2.5 77,-0.4 -2,-0.8 2,-0.3 -0.437 62.3 62.4 -91.6 62.1 16.5 13.7 43.4 7 8 A N - 0 0 4 -2,-1.6 22,-0.5 22,-0.2 2,-0.2 -0.901 64.4-137.3-160.7-172.4 17.3 10.1 42.6 8 9 A R >> + 0 0 17 -2,-0.3 4,-1.2 20,-0.1 3,-0.6 -0.736 57.1 30.5-140.1-174.8 18.7 7.7 40.0 9 10 A G H 3> S- 0 0 9 -2,-0.2 4,-1.6 1,-0.2 30,-0.2 -0.163 114.4 -17.9 65.1-140.5 18.0 4.4 38.4 10 11 A E H 3> S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.808 133.4 56.1 -83.3 -29.2 14.6 2.9 38.0 11 12 A I H <> S+ 0 0 1 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.828 105.8 52.6 -70.3 -28.6 12.8 5.1 40.5 12 13 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.955 111.5 45.9 -69.3 -50.2 14.0 8.2 38.6 13 14 A V H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.911 113.2 52.2 -50.9 -47.5 12.6 6.8 35.4 14 15 A R H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.894 111.8 43.3 -58.4 -49.0 9.4 5.9 37.3 15 16 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.886 110.8 56.0 -67.5 -41.8 8.9 9.4 38.8 16 17 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 106.7 50.6 -54.8 -44.6 9.7 11.1 35.4 17 18 A R H X S+ 0 0 6 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.908 108.9 51.6 -60.7 -42.4 6.9 9.0 33.8 18 19 A A H X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.856 108.0 52.1 -62.8 -37.0 4.5 10.1 36.5 19 20 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-1.8 0.978 107.9 50.6 -65.3 -50.8 5.4 13.8 35.9 20 21 A R H ><5S+ 0 0 58 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.772 103.4 59.6 -57.3 -30.9 4.8 13.6 32.1 21 22 A D H 3<5S+ 0 0 9 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.729 112.9 39.6 -66.5 -25.7 1.3 12.0 32.7 22 23 A L T <<5S- 0 0 50 -3,-1.8 -1,-0.2 -4,-0.7 -2,-0.2 0.219 119.2-110.7-104.6 8.6 0.5 15.2 34.6 23 24 A G T < 5 + 0 0 54 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.759 66.5 152.4 64.2 28.2 2.2 17.5 32.1 24 25 A I < - 0 0 9 -5,-2.5 -22,-0.2 -6,-0.1 -1,-0.2 -0.731 45.1-121.4 -93.6 136.1 5.0 18.3 34.7 25 26 A Q E -a 2 0A 91 -24,-3.5 -22,-3.3 -2,-0.4 2,-0.4 -0.467 28.5-141.9 -74.9 151.0 8.4 19.3 33.6 26 27 A T E -a 3 0A 0 -24,-0.2 19,-1.5 -2,-0.1 18,-0.6 -0.950 17.3-168.8-129.0 131.7 11.4 17.2 34.8 27 28 A V E -ac 4 45A 0 -24,-2.4 -22,-2.8 -2,-0.4 2,-0.3 -0.977 15.8-160.8-116.5 115.8 14.9 17.9 35.9 28 29 A A E -ac 5 46A 0 17,-3.3 19,-1.8 -2,-0.5 2,-0.3 -0.693 0.5-156.9 -90.6 147.2 17.2 14.9 36.2 29 30 A I E - c 0 47A 0 -24,-0.7 2,-0.3 -22,-0.5 19,-0.2 -0.921 12.9-177.3-115.2 152.1 20.4 14.9 38.3 30 31 A Y E - c 0 48A 43 17,-2.0 19,-2.8 -2,-0.3 20,-0.6 -0.995 21.7-130.6-145.6 149.0 23.3 12.5 37.8 31 32 A S E > - c 0 50A 0 -2,-0.3 3,-0.8 17,-0.2 21,-0.1 -0.439 43.6 -97.4 -81.7 169.4 26.7 11.7 39.3 32 33 A E G > S+ 0 0 116 18,-1.6 3,-0.8 1,-0.2 -1,-0.1 0.848 127.1 52.9 -55.8 -35.3 29.8 11.3 37.2 33 34 A G G 3 S+ 0 0 30 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.764 103.5 56.6 -69.3 -28.8 29.3 7.5 37.2 34 35 A D G X + 0 0 2 -3,-0.8 3,-1.8 1,-0.2 -1,-0.2 0.033 65.2 124.2 -96.6 26.9 25.7 7.8 36.0 35 36 A K T < S+ 0 0 111 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.843 78.7 42.9 -55.8 -38.1 26.5 9.7 32.8 36 37 A D T 3 S+ 0 0 107 -3,-0.4 -1,-0.3 340,-0.1 -2,-0.1 0.329 83.3 138.3 -92.0 6.3 24.7 7.0 30.7 37 38 A A X> - 0 0 3 -3,-1.8 3,-0.6 1,-0.1 4,-0.6 -0.221 56.3-132.8 -58.1 139.4 21.7 6.6 33.0 38 39 A L H >> S+ 0 0 19 332,-0.5 4,-1.8 1,-0.2 3,-1.1 0.850 101.9 62.3 -60.8 -38.7 18.3 6.3 31.1 39 40 A H H 3> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.822 98.2 56.5 -62.5 -31.6 16.5 8.8 33.4 40 41 A T H <4 S+ 0 0 12 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.757 109.3 48.0 -68.5 -25.8 18.9 11.6 32.3 41 42 A Q H << S+ 0 0 118 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.814 114.5 42.8 -81.0 -37.3 17.8 10.8 28.7 42 43 A I H < S+ 0 0 17 -4,-1.8 -2,-0.2 3,-0.0 -3,-0.2 0.637 95.8 93.7 -91.0 -13.0 14.1 10.8 29.3 43 44 A A S < S- 0 0 12 -4,-1.5 3,-0.1 -5,-0.2 -16,-0.1 -0.393 84.3-122.7 -69.3 155.2 14.1 13.9 31.6 44 45 A D S S+ 0 0 81 -18,-0.6 2,-0.3 1,-0.3 -17,-0.2 0.851 96.8 6.0 -70.4 -34.6 13.5 17.3 29.9 45 46 A E E S-c 27 0A 52 -19,-1.5 -17,-3.3 2,-0.0 2,-0.3 -0.985 70.3-155.9-145.7 151.6 16.8 18.4 31.3 46 47 A A E -c 28 0A 36 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.965 7.3-169.3-129.8 143.8 19.7 16.7 33.1 47 48 A Y E -c 29 0A 86 -19,-1.8 -17,-2.0 -2,-0.3 2,-0.3 -0.995 25.6-121.7-139.3 132.3 22.4 18.1 35.4 48 49 A C E -c 30 0A 69 -2,-0.4 -17,-0.2 -19,-0.2 -16,-0.0 -0.573 25.0-175.4 -71.6 129.1 25.6 16.7 36.9 49 50 A V E - 0 0 1 -19,-2.8 -18,-0.2 1,-0.4 -1,-0.1 0.424 52.2 -65.1-109.2 -2.9 25.4 16.9 40.7 50 51 A G E S-c 31 0A 18 -20,-0.6 -18,-1.6 13,-0.1 -1,-0.4 -0.827 72.1 -31.0 141.1-178.1 28.9 15.7 41.7 51 52 A P - 0 0 52 0, 0.0 5,-0.2 0, 0.0 -2,-0.0 0.010 69.3 -87.1 -71.1 177.7 31.3 12.7 41.7 52 53 A T S S+ 0 0 14 -21,-0.1 6,-0.2 5,-0.1 5,-0.1 0.843 97.4 88.1 -58.2 -48.7 30.3 9.0 41.9 53 54 A L S >> S- 0 0 89 1,-0.1 3,-1.6 4,-0.1 4,-0.7 -0.288 81.4-127.9 -57.5 134.1 30.1 8.4 45.7 54 55 A S G >4>S+ 0 0 29 326,-0.3 5,-2.4 1,-0.3 3,-0.6 0.770 102.8 68.4 -53.1 -32.0 26.6 9.2 46.9 55 56 A K G 345S+ 0 0 132 1,-0.2 -1,-0.3 3,-0.2 -3,-0.1 0.808 110.3 33.3 -61.6 -29.9 27.9 11.5 49.7 56 57 A D G <45S+ 0 0 64 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.432 133.0 25.5-104.8 -5.2 29.1 14.1 47.1 57 58 A S T X<5S+ 0 0 0 -4,-0.7 3,-1.2 -3,-0.6 -3,-0.2 0.567 126.9 22.2-119.6 -84.3 26.4 13.5 44.5 58 59 A Y T 3 5S+ 0 0 0 1,-0.3 25,-0.2 -6,-0.2 -3,-0.2 0.639 132.2 41.1 -72.3 -15.0 22.9 12.2 45.4 59 60 A L T 3 + 0 0 43 -3,-1.2 4,-1.9 -6,-0.3 3,-0.3 -0.582 43.8 179.2 -71.0 84.1 24.8 16.6 48.1 61 62 A I H > S+ 0 0 32 -2,-1.7 4,-3.2 1,-0.2 5,-0.3 0.904 71.6 54.5 -60.2 -51.1 22.0 18.8 49.4 62 63 A P H > S+ 0 0 95 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.868 112.9 45.5 -53.6 -38.1 23.3 22.3 48.7 63 64 A N H > S+ 0 0 55 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.861 113.0 48.3 -73.2 -39.8 23.9 21.2 45.0 64 65 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.941 116.2 44.1 -65.3 -47.5 20.4 19.6 44.7 65 66 A L H X S+ 0 0 19 -4,-3.2 4,-2.3 2,-0.2 5,-0.3 0.949 114.0 51.5 -62.2 -47.4 18.8 22.7 46.2 66 67 A S H X S+ 0 0 67 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.934 112.9 43.8 -50.9 -54.5 20.9 25.0 44.1 67 68 A I H X S+ 0 0 15 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.933 111.5 55.6 -59.8 -46.0 20.0 23.1 40.8 68 69 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.4 0.898 115.1 36.4 -53.1 -48.5 16.3 23.0 41.8 69 70 A T H ><5S+ 0 0 71 -4,-2.3 3,-1.0 3,-0.2 -1,-0.2 0.910 113.6 57.8 -73.6 -44.1 16.0 26.8 42.3 70 71 A S H 3<5S+ 0 0 99 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.858 111.7 41.1 -51.1 -41.8 18.4 27.6 39.4 71 72 A T T 3<5S- 0 0 18 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.503 117.8-110.3 -92.3 -4.4 16.2 25.8 36.9 72 73 A G T < 5 + 0 0 46 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.1 0.816 51.4 173.2 81.5 34.8 12.9 27.0 38.4 73 74 A C < - 0 0 10 -5,-2.7 -70,-0.2 -6,-0.2 -1,-0.2 -0.433 28.4-158.6 -72.3 146.8 11.5 23.9 40.0 74 75 A D S S+ 0 0 88 -72,-2.9 25,-2.8 1,-0.2 2,-0.3 0.593 74.7 7.5 -93.8 -19.2 8.3 24.0 42.2 75 76 A G E -bd 3 99A 1 -73,-1.3 -71,-2.2 23,-0.3 2,-0.4 -0.962 58.9-132.0-157.5 173.2 9.2 20.7 43.9 76 77 A V E -bd 4 100A 0 23,-2.5 25,-3.0 -2,-0.3 -71,-0.2 -0.995 10.6-157.2-137.0 124.0 11.6 17.9 44.6 77 78 A H E -b 5 0A 0 -73,-2.5 -71,-2.5 -2,-0.4 25,-0.1 -0.926 4.3-170.8-102.6 118.2 10.8 14.1 44.5 78 79 A P - 0 0 6 0, 0.0 5,-0.4 0, 0.0 6,-0.3 0.582 17.3-161.9 -82.4 -13.8 13.3 12.1 46.6 79 80 A G - 0 0 2 22,-0.2 213,-0.5 4,-0.1 2,-0.3 -0.462 49.8 -39.1 68.0-135.3 12.1 8.6 45.5 80 81 A Y S S+ 0 0 24 -2,-0.2 3,-0.1 211,-0.1 213,-0.1 -0.910 110.8 11.3-119.6 155.7 13.3 6.0 47.9 81 82 A G S > S+ 0 0 37 -2,-0.3 3,-1.8 1,-0.2 2,-0.6 -0.099 101.1 54.1 71.8-175.7 16.7 5.9 49.5 82 83 A F T 3 S- 0 0 69 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 -0.365 128.5 -6.8 55.6-100.4 19.2 8.8 49.6 83 84 A L T > S+ 0 0 3 -2,-0.6 3,-1.2 -77,-0.4 -1,-0.2 0.266 102.4 103.8-112.5 12.6 17.2 11.8 51.0 84 85 A A T < S+ 0 0 1 -3,-1.8 -1,-0.1 -6,-0.3 -2,-0.1 0.773 92.9 32.0 -68.0 -34.1 13.7 10.4 51.2 85 86 A E T 3 S+ 0 0 58 -3,-0.2 2,-0.9 -7,-0.1 -1,-0.3 0.034 90.2 118.0-109.6 21.6 13.7 9.9 54.9 86 87 A N <> - 0 0 45 -3,-1.2 4,-2.1 1,-0.2 5,-0.1 -0.812 43.6-171.1 -93.1 103.3 16.0 12.9 55.6 87 88 A A H > S+ 0 0 13 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.797 83.4 55.4 -64.2 -32.2 14.0 15.3 57.7 88 89 A D H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 107.3 47.6 -72.0 -42.2 16.6 18.1 57.4 89 90 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.932 111.6 52.1 -60.9 -48.0 16.6 18.0 53.6 90 91 A A H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.879 111.0 47.4 -50.5 -45.2 12.7 18.1 53.7 91 92 A E H X S+ 0 0 74 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.892 110.4 52.0 -66.1 -41.6 12.9 21.2 56.1 92 93 A L H < S+ 0 0 82 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.831 106.4 53.9 -65.5 -37.2 15.4 22.9 53.8 93 94 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 3,-2.1 0.957 107.7 50.1 -55.4 -56.2 13.2 22.5 50.7 94 95 A E H ><5S+ 0 0 112 -4,-1.7 3,-1.7 1,-0.3 -2,-0.2 0.907 108.3 53.4 -49.2 -45.7 10.3 24.1 52.5 95 96 A A T 3<5S+ 0 0 73 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.534 107.2 53.1 -69.7 -9.3 12.7 27.0 53.4 96 97 A C T < 5S- 0 0 46 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.240 119.0-108.2-102.5 4.6 13.6 27.4 49.7 97 98 A Q T < 5S+ 0 0 163 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.798 79.7 135.3 63.9 29.5 10.0 27.6 48.5 98 99 A L < - 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