==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-DEC-05 2FFM . COMPND 2 MOLECULE: SAV1430; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS . AUTHOR F.FOROUHAR,Y.CHEN,S.JAYARAMAN,H.JANJUA,R.XIAO,T.B.ACTON, . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 8 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 14.5 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+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 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 2 1 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 0 1 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 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 92 0, 0.0 2,-0.4 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 135.2 30.4 7.5 5.1 2 2 A K - 0 0 142 81,-0.0 18,-1.8 0, 0.0 2,-0.5 -0.940 360.0-123.5-127.1 145.1 29.2 8.7 8.5 3 3 A I E +A 19 0A 32 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.726 24.6 178.7 -83.7 128.0 29.3 7.5 12.1 4 4 A I E + 0 0 114 14,-2.7 2,-0.3 -2,-0.5 15,-0.2 0.601 66.2 9.8-103.6 -17.2 25.8 7.2 13.5 5 5 A S E -A 18 0A 49 13,-1.4 13,-3.1 2,-0.0 2,-0.4 -0.928 50.4-166.4-167.0 138.5 26.8 5.9 17.0 6 6 A I E +A 17 0A 71 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.996 27.4 167.7-127.2 123.9 29.8 5.3 19.2 7 7 A S E -A 16 0A 54 9,-2.3 9,-0.6 -2,-0.4 2,-0.3 -0.773 35.7-101.7-133.5 178.2 29.5 3.1 22.3 8 8 A E E -A 15 0A 128 -2,-0.2 7,-0.2 7,-0.2 4,-0.1 -0.713 33.8-147.0 -97.3 149.9 31.2 1.3 25.1 9 9 A T - 0 0 36 5,-0.8 5,-0.1 2,-0.7 6,-0.0 -0.716 33.9 -98.1-113.9 166.4 31.6 -2.5 24.9 10 10 A P S S+ 0 0 139 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.660 111.3 60.6 -57.4 -11.7 31.6 -5.1 27.6 11 11 A N S S- 0 0 88 3,-0.2 -2,-0.7 1,-0.1 3,-0.2 -0.718 79.9-135.1-113.1 167.3 35.4 -4.8 27.3 12 12 A H S S+ 0 0 120 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.1 0.851 97.9 52.0 -90.8 -37.0 37.8 -1.9 27.8 13 13 A N S S+ 0 0 37 51,-0.1 52,-2.8 52,-0.1 2,-0.4 0.249 105.9 67.0 -84.7 13.1 40.1 -2.1 24.8 14 14 A T E - B 0 64A 18 50,-0.3 -5,-0.8 -3,-0.2 2,-0.4 -0.996 55.7-175.3-141.1 139.2 37.2 -2.3 22.3 15 15 A X E -AB 8 63A 16 48,-2.1 48,-1.9 -2,-0.4 2,-0.7 -0.994 23.7-129.2-133.1 140.8 34.5 0.1 21.2 16 16 A K E -AB 7 62A 82 -9,-0.6 -9,-2.3 -2,-0.4 2,-0.6 -0.807 21.9-171.0 -94.8 116.7 31.5 -0.4 18.9 17 17 A I E -AB 6 61A 3 44,-2.5 44,-2.5 -2,-0.7 2,-0.5 -0.931 9.9-152.8-108.3 115.3 31.2 2.2 16.1 18 18 A T E -AB 5 60A 21 -13,-3.1 -14,-2.7 -2,-0.6 -13,-1.4 -0.789 12.0-159.6 -93.1 125.9 28.0 2.0 14.1 19 19 A L E -A 3 0A 4 40,-1.9 -16,-0.2 -2,-0.5 0, 0.0 -0.570 21.9-129.6 -99.7 165.1 28.1 3.3 10.6 20 20 A S S S+ 0 0 67 -18,-1.8 2,-0.5 -2,-0.2 -1,-0.1 0.949 92.4 69.4 -76.6 -51.8 25.3 4.5 8.2 21 21 A E S S- 0 0 126 -19,-0.2 -2,-0.1 1,-0.0 2,-0.1 -0.578 80.0-147.9 -73.5 117.7 26.3 2.4 5.2 22 22 A S - 0 0 77 -2,-0.5 37,-0.3 1,-0.1 2,-0.2 -0.404 20.3 -97.3 -84.9 162.1 25.7 -1.3 6.0 23 23 A R - 0 0 58 35,-2.3 -1,-0.1 1,-0.1 36,-0.0 -0.547 20.2-143.1 -80.9 142.9 27.7 -4.3 4.7 24 24 A E S S+ 0 0 193 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 0.925 82.6 57.9 -71.5 -46.3 26.4 -6.2 1.6 25 25 A G S S- 0 0 34 1,-0.1 33,-0.4 2,-0.1 -2,-0.1 -0.408 77.3-135.2 -82.9 162.1 27.4 -9.7 2.8 26 26 A X S S+ 0 0 153 -2,-0.1 -1,-0.1 31,-0.1 2,-0.1 0.540 77.4 93.9 -92.5 -9.3 26.3 -11.3 6.0 27 27 A T - 0 0 100 1,-0.1 31,-0.5 30,-0.1 2,-0.2 -0.343 69.9-127.8 -81.3 165.4 29.8 -12.5 6.9 28 28 A S - 0 0 54 29,-0.1 2,-0.3 -2,-0.1 29,-0.2 -0.614 13.0-154.5-108.9 170.2 32.3 -10.7 9.1 29 29 A D E -C 56 0A 62 27,-1.7 27,-3.2 -2,-0.2 2,-0.5 -0.990 3.7-156.6-146.7 136.9 35.9 -9.7 8.6 30 30 A T E -C 55 0A 86 -2,-0.3 2,-0.5 25,-0.2 25,-0.2 -0.964 12.8-165.1-119.5 113.5 38.7 -9.0 11.1 31 31 A Y E +C 54 0A 19 23,-2.3 23,-1.8 -2,-0.5 3,-0.1 -0.881 20.9 163.5-104.0 124.0 41.5 -6.8 9.8 32 32 A T + 0 0 87 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.583 68.4 27.3-110.3 -17.4 44.7 -6.7 11.7 33 33 A K S S- 0 0 149 2,-0.0 -1,-0.2 14,-0.0 2,-0.2 -0.983 82.0-103.7-145.2 154.5 47.0 -5.2 9.1 34 34 A V + 0 0 62 -2,-0.3 2,-0.3 9,-0.1 9,-0.0 -0.530 44.9 148.2 -83.7 144.9 46.7 -2.9 6.1 35 35 A D > - 0 0 63 -2,-0.2 3,-1.5 4,-0.2 8,-0.1 -0.931 57.1 -97.7-169.5 151.4 46.8 -4.0 2.4 36 36 A D T 3 S+ 0 0 155 -2,-0.3 4,-0.1 1,-0.3 7,-0.0 0.623 112.6 63.6 -47.5 -23.7 45.3 -3.1 -0.9 37 37 A S T 3 S+ 0 0 92 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.861 89.0 78.7 -74.8 -34.8 42.5 -5.7 -0.8 38 38 A Q S < S- 0 0 27 -3,-1.5 5,-0.1 1,-0.1 -4,-0.0 -0.157 98.8 -82.6 -69.3 164.9 40.7 -4.2 2.2 39 39 A P > - 0 0 53 0, 0.0 4,-1.4 0, 0.0 -4,-0.2 -0.358 39.7-119.7 -65.9 153.2 38.5 -1.2 2.0 40 40 A A H >> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.929 112.7 51.6 -60.9 -49.3 40.3 2.2 2.0 41 41 A F H 3> S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.870 107.0 58.4 -58.9 -30.4 38.7 3.6 5.2 42 42 A I H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 106.2 45.8 -65.7 -38.6 39.7 0.3 6.8 43 43 A N H < S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.2 6,-0.2 0.940 108.9 52.2 -68.0 -46.0 41.9 3.3 10.6 46 46 A L H 3< S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.3 5,-0.2 0.841 101.2 61.4 -57.5 -35.4 44.5 0.6 11.1 47 47 A K T 3< S+ 0 0 147 -4,-1.6 2,-0.4 -5,-0.1 -1,-0.3 0.571 80.9 109.6 -68.8 -8.9 47.3 3.2 10.4 48 48 A V S X S- 0 0 16 -3,-1.9 3,-2.2 -4,-0.2 2,-0.3 -0.580 83.6-111.1 -72.7 124.7 46.0 5.1 13.5 49 49 A E T 3 S+ 0 0 159 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.400 104.2 24.5 -58.2 114.5 48.5 4.8 16.3 50 50 A G T 3 S+ 0 0 12 1,-0.4 16,-2.1 -2,-0.3 2,-0.4 0.141 85.9 123.3 115.8 -21.1 46.9 2.7 19.0 51 51 A V E < + D 0 65A 13 -3,-2.2 -1,-0.4 14,-0.2 14,-0.3 -0.630 32.1 178.2 -76.3 127.7 44.5 0.7 16.8 52 52 A K E - 0 0 93 12,-4.2 2,-0.3 -2,-0.4 13,-0.2 0.891 58.1 -23.4 -94.6 -55.2 45.1 -3.0 17.2 53 53 A S E - D 0 64A 15 11,-1.1 11,-2.5 2,-0.0 2,-0.4 -0.927 53.0-131.2-150.3 174.7 42.5 -4.7 15.0 54 54 A I E -CD 31 63A 0 -23,-1.8 -23,-2.3 -2,-0.3 2,-0.6 -0.994 5.2-159.6-138.9 128.0 39.1 -4.1 13.5 55 55 A F E -CD 30 62A 69 7,-2.8 7,-3.4 -2,-0.4 2,-0.5 -0.945 18.0-172.3-106.5 120.4 36.0 -6.4 13.5 56 56 A H E +CD 29 61A 16 -27,-3.2 -27,-1.7 -2,-0.6 2,-0.3 -0.957 18.7 140.0-120.6 120.3 33.7 -5.4 10.6 57 57 A V E > - D 0 60A 7 3,-2.3 3,-1.4 -2,-0.5 2,-0.3 -0.963 61.2 -26.3-159.2 137.8 30.2 -6.9 10.2 58 58 A X T 3 S- 0 0 93 -31,-0.5 -35,-2.3 -33,-0.4 -33,-0.1 -0.430 124.8 -18.0 62.7-120.9 26.7 -5.8 9.2 59 59 A D T 3 S+ 0 0 65 -2,-0.3 -40,-1.9 -37,-0.3 2,-0.3 0.006 124.4 55.2-108.7 27.4 26.4 -2.0 10.0 60 60 A F E < -BD 18 57A 23 -3,-1.4 -3,-2.3 -42,-0.3 2,-0.4 -0.999 58.1-144.4-158.1 157.5 29.3 -1.6 12.4 61 61 A I E -BD 17 56A 0 -44,-2.5 -44,-2.5 -2,-0.3 2,-0.7 -0.981 14.5-148.0-124.2 134.9 33.0 -2.0 13.1 62 62 A S E -BD 16 55A 17 -7,-3.4 -7,-2.8 -2,-0.4 2,-0.4 -0.921 18.4-157.5-105.4 113.5 34.4 -2.9 16.5 63 63 A V E -BD 15 54A 0 -48,-1.9 -48,-2.1 -2,-0.7 2,-0.5 -0.755 2.3-155.6 -93.9 133.9 37.7 -1.3 16.9 64 64 A D E -BD 14 53A 46 -11,-2.5 -12,-4.2 -2,-0.4 -11,-1.1 -0.946 10.4-156.3-111.5 129.6 40.3 -2.7 19.4 65 65 A K E - D 0 51A 5 -52,-2.8 -14,-0.2 -2,-0.5 2,-0.2 -0.459 30.4 -87.5 -97.0 171.3 43.0 -0.4 20.8 66 66 A E > - 0 0 69 -16,-2.1 3,-1.2 -2,-0.1 -1,-0.1 -0.539 36.0-120.4 -76.8 146.1 46.4 -1.2 22.2 67 67 A N T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.819 115.3 47.1 -56.5 -32.5 46.3 -2.0 25.9 68 68 A D T 3 S+ 0 0 150 2,-0.1 -1,-0.3 -18,-0.0 2,-0.1 0.598 100.4 85.1 -86.6 -11.8 48.7 0.8 26.5 69 69 A A < - 0 0 23 -3,-1.2 2,-0.4 -19,-0.2 -4,-0.1 -0.461 68.1-137.9 -89.6 163.0 46.8 3.3 24.4 70 70 A N >> - 0 0 71 -2,-0.1 4,-1.6 1,-0.1 3,-1.4 -0.953 13.5-133.0-123.0 142.7 43.8 5.5 25.5 71 71 A W H 3> S+ 0 0 18 -2,-0.4 4,-2.2 1,-0.3 -1,-0.1 0.754 99.9 73.6 -62.6 -27.3 40.6 6.3 23.6 72 72 A E H 34 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.801 111.9 28.8 -56.9 -30.2 40.9 10.0 24.3 73 73 A T H <> S+ 0 0 53 -3,-1.4 4,-0.6 2,-0.1 -2,-0.2 0.725 125.6 44.5-101.8 -28.1 43.7 10.1 21.7 74 74 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.1 3,-0.2 0.900 104.0 59.4 -83.6 -46.2 42.7 7.2 19.4 75 75 A L H X S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.878 104.0 50.8 -53.9 -45.0 39.0 7.8 19.0 76 76 A P H > S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.903 112.4 46.0 -63.2 -39.1 39.4 11.3 17.5 77 77 A K H X S+ 0 0 97 -4,-0.6 4,-0.7 -3,-0.2 -2,-0.2 0.851 111.7 54.2 -70.8 -31.2 41.9 10.2 14.9 78 78 A V H >< S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.907 111.7 42.2 -67.8 -42.1 39.6 7.2 14.2 79 79 A E H >< S+ 0 0 91 -4,-2.5 3,-0.7 1,-0.2 4,-0.4 0.778 103.2 68.9 -74.5 -26.4 36.6 9.5 13.5 80 80 A A H >< S+ 0 0 55 -4,-1.7 3,-0.7 -5,-0.2 -1,-0.2 0.748 87.8 68.1 -62.8 -23.5 38.9 11.8 11.6 81 81 A V T << S+ 0 0 22 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.909 96.5 50.4 -63.0 -43.4 39.1 9.1 8.9 82 82 A F T < 0 0 29 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.601 360.0 360.0 -72.3 -7.2 35.5 9.5 8.0 83 83 A E < 0 0 199 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 -0.407 360.0 360.0 56.4 360.0 36.3 13.2 7.7