==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 08-APR-13 2M6Q . COMPND 2 MOLECULE: SAV1430; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR M.C.BARAN,J.M.ARAMINI,Y.J.HUANG,R.XIAO,T.B.ACTON,L.SHIH, . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 62.6 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 . 22 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 14 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 15.4 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 0 1 0 0 0 1 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 2 1 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 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 M 0 0 170 0, 0.0 2,-0.3 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0 83.2 12.8 2.4 -5.5 2 2 A K - 0 0 77 81,-0.1 18,-1.2 16,-0.0 2,-0.6 -0.959 360.0 -59.3-167.3 179.3 11.2 -0.4 -3.3 3 3 A I E +A 19 0A 18 -2,-0.3 16,-0.2 16,-0.2 3,-0.1 -0.700 42.2 175.5 -72.4 115.8 10.3 -1.6 0.2 4 4 A I E - 0 0 108 14,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.856 69.9 -5.1 -84.7 -45.6 13.5 -1.6 2.4 5 5 A S E -A 18 0A 54 13,-1.3 13,-2.4 2,-0.0 2,-0.9 -0.979 59.0-129.5-154.6 133.4 11.7 -2.5 5.6 6 6 A I E -A 17 0A 61 -2,-0.3 11,-0.2 11,-0.2 2,-0.1 -0.791 41.4-147.0 -78.4 105.6 8.1 -3.0 6.9 7 7 A S - 0 0 37 9,-1.3 9,-0.2 -2,-0.9 -2,-0.0 -0.349 19.0 -92.0 -78.0 160.6 8.2 -0.8 10.0 8 8 A E - 0 0 166 7,-0.1 8,-0.3 -2,-0.1 -1,-0.1 -0.215 39.4-171.9 -72.8 163.3 6.2 -1.5 13.3 9 9 A T - 0 0 57 6,-0.1 6,-0.1 1,-0.1 3,-0.0 -0.988 30.8-145.5-154.3 144.2 2.7 -0.2 14.1 10 10 A P S S+ 0 0 145 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.575 94.2 65.2 -83.9 -11.6 0.3 -0.1 17.2 11 11 A N - 0 0 89 3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.963 68.7-159.3-117.3 115.8 -2.7 -0.5 14.7 12 12 A H S S+ 0 0 117 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 0.677 88.0 65.1 -67.7 -19.8 -2.9 -3.8 12.7 13 13 A N S S+ 0 0 37 1,-0.2 52,-1.2 51,-0.1 2,-0.5 0.991 109.6 27.6 -66.6 -64.8 -5.1 -2.0 10.1 14 14 A T E S- B 0 64A 31 50,-0.3 2,-0.4 38,-0.0 -3,-0.4 -0.891 73.5-173.5-106.8 126.9 -2.6 0.5 8.7 15 15 A M E - B 0 63A 15 48,-1.8 48,-1.7 -2,-0.5 2,-0.3 -0.949 21.9-123.0-122.4 143.3 1.1 -0.2 8.8 16 16 A K E - B 0 62A 81 -2,-0.4 -9,-1.3 -8,-0.3 2,-0.4 -0.621 21.9-159.8 -88.4 140.5 4.1 2.1 7.9 17 17 A I E -AB 6 61A 0 44,-1.9 44,-2.5 -2,-0.3 2,-0.4 -0.978 12.5-137.3-130.0 114.9 6.6 1.0 5.2 18 18 A T E -A 5 0A 40 -13,-2.4 -14,-2.4 -2,-0.4 -13,-1.3 -0.613 23.2-157.5 -71.7 120.0 10.1 2.4 4.8 19 19 A L E -A 3 0A 16 40,-0.5 -16,-0.2 -2,-0.4 41,-0.0 -0.444 28.2-116.2 -87.4 169.9 11.0 3.1 1.1 20 20 A S S S+ 0 0 41 -18,-1.2 2,-0.4 -2,-0.1 -17,-0.1 0.742 99.6 81.8 -74.7 -26.7 14.5 3.3 -0.4 21 21 A E + 0 0 72 -19,-0.2 -2,-0.3 38,-0.2 2,-0.3 -0.706 64.4 155.0 -84.2 128.4 13.7 7.0 -1.2 22 22 A S + 0 0 81 -2,-0.4 3,-0.1 -4,-0.1 37,-0.1 -0.939 21.2 46.3-153.4 166.8 14.2 9.3 1.8 23 23 A R S S+ 0 0 213 -2,-0.3 2,-2.0 1,-0.2 -1,-0.0 0.327 94.8 32.2 71.0 156.1 14.9 13.0 3.0 24 24 A E S S- 0 0 202 1,-0.1 -1,-0.2 2,-0.0 35,-0.1 -0.478 113.8 -78.5 69.3 -76.0 13.3 16.3 1.7 25 25 A G - 0 0 44 -2,-2.0 34,-0.2 33,-0.2 3,-0.1 -0.085 36.4-149.7 145.0 116.5 9.9 14.8 1.0 26 26 A M - 0 0 73 32,-2.5 32,-0.5 1,-0.2 2,-0.3 0.017 67.2 -35.9 -75.3-167.6 8.2 12.7 -1.8 27 27 A T - 0 0 68 30,-0.1 2,-1.1 1,-0.1 -1,-0.2 -0.425 56.4-155.4 -59.2 112.9 4.5 12.9 -2.7 28 28 A S + 0 0 85 -2,-0.3 2,-0.3 29,-0.1 29,-0.2 -0.757 45.5 130.2 -94.6 84.9 2.6 13.5 0.6 29 29 A D E -C 56 0A 71 -2,-1.1 27,-1.4 27,-0.8 2,-0.8 -0.997 61.2-127.7-144.8 141.7 -0.8 12.1 -0.5 30 30 A T E -C 55 0A 68 -2,-0.3 2,-1.0 25,-0.2 3,-0.5 -0.844 26.6-148.6 -89.3 106.4 -3.5 9.7 0.7 31 31 A Y E +C 54 0A 20 23,-2.9 23,-2.4 -2,-0.8 -2,-0.0 -0.695 61.1 107.6 -80.2 101.2 -4.1 7.3 -2.3 32 32 A T + 0 0 74 -2,-1.0 -1,-0.2 21,-0.2 23,-0.0 0.482 58.0 65.6-146.0 -33.7 -7.8 6.5 -1.8 33 33 A K S S- 0 0 160 -3,-0.5 -2,-0.1 1,-0.1 20,-0.0 0.390 106.4-108.3 -88.8 4.9 -9.9 8.3 -4.5 34 34 A V S S+ 0 0 74 2,-0.0 3,-0.1 9,-0.0 -1,-0.1 0.691 100.1 39.8 65.0 126.3 -8.4 6.2 -7.3 35 35 A D + 0 0 123 1,-0.1 2,-1.1 4,-0.1 5,-0.1 0.902 63.9 166.0 72.0 47.3 -6.0 8.0 -9.8 36 36 A D S S- 0 0 9 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 -0.333 77.9 -77.8 -84.3 47.9 -4.3 10.0 -7.0 37 37 A S S S+ 0 0 102 -2,-1.1 -1,-0.1 1,-0.2 -6,-0.0 0.608 104.6 124.8 58.1 19.3 -1.4 10.9 -9.5 38 38 A Q - 0 0 12 1,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.780 69.1 -92.1-106.3 147.0 -0.1 7.3 -8.8 39 39 A P >> - 0 0 83 0, 0.0 4,-1.3 0, 0.0 3,-1.3 -0.112 38.1-105.8 -52.4 155.2 0.7 4.5 -11.5 40 40 A A H 3> S+ 0 0 76 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.777 120.4 65.6 -53.9 -31.3 -2.0 1.9 -12.4 41 41 A F H 3> S+ 0 0 125 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.892 103.7 44.0 -56.7 -45.0 0.0 -0.6 -10.4 42 42 A I H <> S+ 0 0 16 -3,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.796 111.2 55.5 -71.6 -28.9 -0.8 1.4 -7.2 43 43 A N H X S+ 0 0 13 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.830 102.1 56.7 -72.1 -32.9 -4.4 1.7 -8.4 44 44 A D H X S+ 0 0 94 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.892 104.3 52.3 -63.4 -41.8 -4.6 -2.1 -8.6 45 45 A I H >< S+ 0 0 0 -4,-1.2 3,-0.6 1,-0.2 6,-0.4 0.910 107.8 51.6 -59.7 -44.8 -3.6 -2.3 -4.9 46 46 A L H 3< S+ 0 0 21 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.845 111.1 48.5 -58.5 -36.7 -6.5 0.1 -4.1 47 47 A K H 3< S+ 0 0 147 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.643 85.8 110.9 -79.4 -19.7 -8.9 -2.2 -6.1 48 48 A V S X< S- 0 0 29 -4,-1.1 3,-2.2 -3,-0.6 2,-1.4 -0.451 81.9-117.3 -60.4 121.8 -7.5 -5.4 -4.2 49 49 A E T 3 S+ 0 0 189 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.511 106.9 43.8 -63.7 89.5 -10.3 -6.7 -1.9 50 50 A G T 3 S+ 0 0 1 -2,-1.4 16,-2.0 1,-0.5 2,-0.4 0.044 89.3 92.8 159.2 -32.1 -8.5 -6.1 1.3 51 51 A V E < - D 0 65A 7 -3,-2.2 -1,-0.5 -6,-0.4 14,-0.3 -0.765 41.4-178.6 -91.9 131.4 -6.9 -2.6 1.0 52 52 A K E - 0 0 134 12,-2.1 2,-0.3 1,-0.4 13,-0.2 0.870 67.4 -37.5 -87.1 -52.0 -8.8 0.5 2.2 53 53 A S E - D 0 64A 6 11,-1.9 11,-1.7 -20,-0.0 -1,-0.4 -0.949 46.1-123.8-163.3 173.0 -6.2 3.1 1.2 54 54 A I E -CD 31 63A 1 -23,-2.4 -23,-2.9 -2,-0.3 9,-0.3 -0.911 24.6-164.1-132.0 101.0 -2.4 3.8 0.8 55 55 A F E -CD 30 62A 71 7,-2.4 7,-2.5 -2,-0.4 2,-0.4 -0.606 5.5-166.0 -82.0 146.3 -1.2 7.0 2.7 56 56 A H E +CD 29 61A 6 -27,-1.4 -27,-0.8 5,-0.2 2,-0.3 -0.997 11.1 170.9-135.5 135.0 2.3 8.4 1.7 57 57 A V E > - D 0 60A 38 3,-2.1 2,-1.4 -2,-0.4 3,-1.0 -0.957 60.6 -47.9-149.1 124.6 4.4 11.0 3.6 58 58 A M T 3 S- 0 0 95 -32,-0.5 -32,-2.5 -2,-0.3 -33,-0.2 -0.306 123.9 -22.1 55.8 -82.5 8.0 12.2 3.1 59 59 A D T 3 S+ 0 0 37 -2,-1.4 -40,-0.5 -34,-0.2 2,-0.3 0.662 122.8 72.7-120.3 -39.3 9.7 8.7 2.8 60 60 A F E < - D 0 57A 58 -3,-1.0 -3,-2.1 -42,-0.2 -42,-0.2 -0.603 62.9-146.0 -98.3 138.8 7.4 6.2 4.5 61 61 A I E -BD 17 56A 5 -44,-2.5 -44,-1.9 -2,-0.3 -5,-0.2 -0.457 1.0-156.0 -85.6 163.8 4.1 4.8 3.3 62 62 A S E -BD 16 55A 18 -7,-2.5 -7,-2.4 -46,-0.3 2,-0.6 -0.710 12.4-163.6-143.4 86.3 1.1 3.9 5.6 63 63 A V E -BD 15 54A 0 -48,-1.7 -48,-1.8 -9,-0.3 2,-0.4 -0.689 6.2-154.6 -80.0 114.6 -1.1 1.3 3.8 64 64 A D E -BD 14 53A 35 -11,-1.7 -12,-2.1 -2,-0.6 -11,-1.9 -0.773 12.0-169.0 -87.3 131.1 -4.5 1.0 5.5 65 65 A K E - D 0 51A 6 -52,-1.2 -14,-0.3 -2,-0.4 2,-0.2 -0.377 30.7 -85.5-101.7-173.9 -6.4 -2.4 5.1 66 66 A E - 0 0 91 -16,-2.0 -1,-0.1 -2,-0.1 -14,-0.1 -0.590 42.1-106.3 -89.4 162.7 -10.0 -3.3 5.9 67 67 A N S S+ 0 0 151 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.901 117.9 29.9 -59.1 -48.2 -11.0 -4.5 9.4 68 68 A D S S+ 0 0 139 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.819 97.2 109.6 -80.5 -33.8 -11.4 -8.3 8.6 69 69 A A - 0 0 14 -19,-0.1 2,-0.4 1,-0.1 -19,-0.1 -0.043 61.3-139.6 -50.3 140.9 -8.8 -8.3 5.8 70 70 A N >> - 0 0 77 1,-0.1 4,-2.7 -5,-0.0 3,-1.7 -0.920 13.1-144.8-110.2 130.5 -5.5 -10.2 6.4 71 71 A W H 3> S+ 0 0 18 -2,-0.4 4,-1.3 1,-0.3 -1,-0.1 0.659 97.8 79.7 -60.3 -18.3 -2.0 -9.0 5.4 72 72 A E H 34 S+ 0 0 140 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.835 115.0 15.2 -56.7 -35.3 -1.4 -12.8 4.9 73 73 A T H <> S+ 0 0 83 -3,-1.7 4,-0.6 2,-0.1 -2,-0.2 0.777 131.7 50.5-101.1 -42.6 -3.3 -12.3 1.5 74 74 A V H >X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.2 3,-1.0 0.879 101.5 57.2 -70.7 -45.9 -3.2 -8.4 1.2 75 75 A L H 3X S+ 0 0 36 -4,-1.3 4,-2.7 1,-0.2 5,-0.3 0.879 98.8 60.4 -60.6 -43.7 0.5 -7.6 1.7 76 76 A P H 3> S+ 0 0 70 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.825 108.1 48.2 -46.5 -34.3 1.7 -9.9 -1.3 77 77 A K H << S+ 0 0 97 -3,-1.0 4,-0.5 -4,-0.6 -2,-0.2 0.879 114.7 43.3 -75.1 -41.4 -0.4 -7.6 -3.5 78 78 A V H >X S+ 0 0 0 -4,-1.4 3,-1.5 1,-0.2 4,-0.7 0.987 117.2 44.7 -65.0 -58.1 1.0 -4.3 -2.0 79 79 A E H 3X S+ 0 0 79 -4,-2.7 4,-2.4 1,-0.3 -76,-0.2 0.751 97.0 77.2 -58.7 -31.2 4.7 -5.5 -2.1 80 80 A A H 3< S+ 0 0 47 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.764 95.1 48.3 -53.2 -34.1 4.3 -7.0 -5.6 81 81 A V H <4 S+ 0 0 21 -3,-1.5 3,-0.3 -4,-0.5 -1,-0.2 0.924 116.3 39.8 -75.3 -49.5 4.5 -3.5 -7.2 82 82 A F H < S+ 0 0 25 -4,-0.7 2,-0.5 1,-0.2 -2,-0.2 0.756 120.5 50.5 -69.3 -25.2 7.6 -2.3 -5.2 83 83 A E S < S+ 0 0 99 -4,-2.4 2,-0.3 -81,-0.1 -1,-0.2 -0.760 85.6 102.1-122.5 77.2 9.1 -5.8 -5.7 84 84 A L S S- 0 0 70 -2,-0.5 2,-1.0 -3,-0.3 -3,-0.0 -0.930 85.6 -75.6-142.9 168.8 8.9 -6.8 -9.4 85 85 A E - 0 0 148 -2,-0.3 2,-0.8 1,-0.1 -2,-0.1 -0.594 53.5-150.7 -68.4 98.1 11.3 -7.0 -12.3 86 86 A H + 0 0 108 -2,-1.0 2,-0.3 -4,-0.1 -1,-0.1 -0.715 36.0 139.5 -82.7 104.9 11.6 -3.2 -13.1 87 87 A H - 0 0 135 -2,-0.8 2,-0.2 2,-0.0 -2,-0.0 -0.967 52.3-104.2-136.3 155.8 12.3 -2.5 -16.9 88 88 A H - 0 0 170 -2,-0.3 2,-0.4 1,-0.0 -2,-0.0 -0.534 28.7-152.8 -78.1 144.0 10.8 0.1 -19.3 89 89 A H + 0 0 168 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 -0.985 51.0 105.1-123.7 119.8 8.2 -1.0 -21.9 90 90 A H 0 0 158 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.313 360.0 360.0-152.3 -48.5 7.8 0.9 -25.2 91 91 A H 0 0 244 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.597 360.0 360.0 68.4 360.0 9.3 -1.2 -28.1