==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 14-MAR-11 3R2T . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,O.KIRY . 389 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 26.2 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 . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 2 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 . 41 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 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 PARALLEL BRIDGES PER LADDER . 1 2 6 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 4 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 38 A N 0 0 176 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.6 5.7 -25.1 20.3 2 39 A R > + 0 0 162 2,-0.2 4,-1.2 1,-0.1 3,-0.1 0.699 360.0 58.6 -94.3 -26.7 2.4 -25.7 22.3 3 40 A L H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.822 97.3 61.5 -71.7 -32.9 3.6 -23.6 25.3 4 41 A Y H > S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.847 101.8 52.7 -60.3 -36.2 4.1 -20.6 23.1 5 42 A D H > S+ 0 0 77 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.909 109.6 48.6 -66.5 -41.8 0.3 -20.8 22.4 6 43 A T H X S+ 0 0 7 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.878 106.8 55.7 -65.7 -40.9 -0.5 -20.8 26.1 7 44 A N H X S+ 0 0 93 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.921 108.7 47.6 -59.3 -45.7 1.9 -17.8 26.8 8 45 A K H X S+ 0 0 122 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.879 113.2 48.2 -61.9 -38.6 -0.1 -15.7 24.2 9 46 A L H X S+ 0 0 16 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.905 112.9 48.4 -67.6 -41.2 -3.4 -16.8 25.8 10 47 A H H X S+ 0 0 49 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.938 111.5 50.4 -61.6 -48.5 -2.1 -16.0 29.2 11 48 A Q H X S+ 0 0 144 -4,-2.8 4,-0.5 -5,-0.2 3,-0.2 0.942 115.0 42.5 -55.7 -51.6 -0.9 -12.6 28.0 12 49 A Y H >< S+ 0 0 26 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.925 117.2 43.5 -63.3 -50.3 -4.2 -11.6 26.4 13 50 A Y H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.632 116.7 47.0 -77.1 -13.0 -6.6 -12.8 29.1 14 51 A S H 3< S+ 0 0 63 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.436 103.2 90.3-101.3 -3.2 -4.5 -11.4 31.9 15 52 A G S << S- 0 0 25 -3,-0.7 -3,-0.1 -4,-0.5 2,-0.0 0.038 87.6 -54.9 -81.1-169.7 -4.1 -8.1 30.0 16 53 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.303 47.2 177.5 -72.1 149.2 -6.2 -4.9 29.9 17 54 A S - 0 0 38 52,-0.2 2,-0.3 2,-0.0 52,-0.2 -0.911 11.9-151.0-140.4 164.8 -9.9 -4.6 29.2 18 55 A Y E -A 68 0A 58 50,-2.0 50,-2.5 -2,-0.3 2,-0.6 -0.999 7.8-150.5-146.0 141.4 -12.2 -1.6 29.2 19 56 A E E -A 67 0A 86 -2,-0.3 2,-0.4 48,-0.2 48,-0.2 -0.944 17.8-175.4-115.6 113.0 -15.9 -1.0 29.8 20 57 A L E -A 66 0A 2 46,-2.9 46,-2.5 -2,-0.6 2,-0.3 -0.847 8.9-160.6-107.8 141.0 -17.4 2.0 27.9 21 58 A T E + 0 0 72 -2,-0.4 44,-0.2 44,-0.2 43,-0.1 -0.947 56.8 2.9-131.9 150.0 -21.0 3.0 28.4 22 59 A N E S+ 0 0 94 -2,-0.3 2,-0.3 1,-0.2 43,-0.2 0.891 81.1 170.0 47.2 51.9 -23.8 5.0 26.7 23 60 A V E -A 64 0A 9 41,-3.1 41,-2.4 -3,-0.2 2,-0.4 -0.639 26.7-144.9 -92.9 150.1 -21.6 5.6 23.6 24 61 A S E + 0 0 54 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.928 32.0 149.4-114.7 137.0 -22.8 7.1 20.4 25 62 A G E -A 61 0A 11 36,-2.5 36,-3.5 -2,-0.4 2,-0.3 -0.992 34.4-150.4-162.8 169.5 -21.4 5.9 17.0 26 63 A Q - 0 0 105 -2,-0.3 11,-0.4 34,-0.2 32,-0.2 -0.989 33.9-112.3-144.7 136.0 -21.7 5.2 13.3 27 64 A S + 0 0 11 30,-4.1 2,-0.3 -2,-0.3 9,-0.2 -0.407 36.6 175.9 -73.1 147.2 -19.9 2.6 11.3 28 65 A Q E -C 35 0B 105 7,-2.1 7,-2.9 -2,-0.1 2,-0.3 -0.958 34.6 -90.3-145.8 159.1 -17.3 3.7 8.7 29 66 A G E +C 34 0B 55 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.543 29.5 178.8 -79.9 134.9 -14.9 1.9 6.4 30 67 A Y E > S-C 33 0B 81 3,-2.6 3,-1.9 -2,-0.3 2,-0.2 -0.870 73.2 -62.6-131.1 93.3 -11.4 1.1 7.5 31 68 A Y T 3 S- 0 0 195 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.430 118.1 -17.4 58.7-124.1 -10.1 -0.8 4.4 32 69 A D T 3 S+ 0 0 159 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.157 125.1 83.0 -99.6 22.9 -12.3 -3.9 4.1 33 70 A S E < S-C 30 0B 27 -3,-1.9 -3,-2.6 -5,-0.0 2,-0.5 -0.844 72.7-132.9-117.7 156.4 -13.6 -3.7 7.7 34 71 A N E +C 29 0B 38 -2,-0.3 15,-2.6 15,-0.3 2,-0.3 -0.953 37.3 178.8-106.0 127.9 -16.5 -1.7 9.1 35 72 A V E -CD 28 48B 1 -7,-2.9 -7,-2.1 -2,-0.5 2,-0.4 -0.864 28.2-139.5-133.2 164.1 -15.4 -0.0 12.3 36 73 A L E - D 0 47B 2 11,-1.8 11,-3.2 -2,-0.3 2,-0.3 -0.992 20.1-164.3-122.1 128.8 -16.7 2.3 15.1 37 74 A L E + D 0 46B 53 -11,-0.4 2,-0.3 -2,-0.4 -11,-0.2 -0.847 19.3 146.2-112.0 149.3 -14.4 5.0 16.5 38 75 A F E - D 0 45B 25 7,-1.7 7,-3.5 -2,-0.3 2,-0.1 -0.963 39.7-134.1-171.2 166.6 -14.9 7.0 19.7 39 76 A N + 0 0 90 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.565 32.1 163.5-130.2 66.6 -13.1 8.6 22.6 40 77 A Q > - 0 0 56 -2,-0.1 3,-1.4 2,-0.1 -2,-0.1 -0.620 67.1 -4.4 -82.9 148.2 -14.7 7.8 26.0 41 78 A Q T 3 S- 0 0 106 -2,-0.2 -21,-0.0 1,-0.2 0, 0.0 -0.294 124.7 -49.1 63.3-157.2 -12.5 8.5 29.0 42 79 A N T 3 S+ 0 0 169 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.062 118.6 96.9 -99.4 34.5 -9.0 9.7 28.0 43 80 A Q < - 0 0 67 -3,-1.4 2,-0.4 35,-0.0 35,-0.1 -0.923 64.7-141.0-123.8 148.6 -8.8 6.8 25.6 44 81 A K - 0 0 86 33,-0.4 35,-2.6 -2,-0.3 2,-0.3 -0.897 23.3-166.7-109.0 135.4 -9.4 6.4 21.9 45 82 A F E -De 38 79B 0 -7,-3.5 -7,-1.7 -2,-0.4 2,-0.3 -0.890 21.1-170.0-127.7 157.1 -11.0 3.3 20.4 46 83 A Q E -De 37 80B 10 33,-2.2 35,-2.2 -2,-0.3 2,-0.6 -0.874 15.7-162.7-145.3 104.7 -11.7 1.6 17.1 47 84 A V E -De 36 81B 0 -11,-3.2 -11,-1.8 -2,-0.3 2,-0.5 -0.815 9.5-145.8 -99.1 117.8 -14.1 -1.4 17.2 48 85 A F E -De 35 82B 24 33,-3.5 35,-2.8 -2,-0.6 2,-1.5 -0.706 7.2-145.5 -84.7 122.4 -14.0 -3.7 14.3 49 86 A L + 0 0 1 -15,-2.6 -15,-0.3 -2,-0.5 33,-0.1 -0.632 40.3 151.5 -88.6 81.6 -17.5 -5.1 13.6 50 87 A L + 0 0 61 -2,-1.5 -1,-0.2 125,-0.2 -15,-0.0 0.445 54.8 34.7 -96.0 -2.1 -16.4 -8.6 12.5 51 88 A G S > S- 0 0 16 -3,-0.1 3,-1.3 126,-0.1 126,-0.1 0.156 124.5 -26.8-119.2-124.6 -19.4 -10.9 13.4 52 89 A K T 3 S+ 0 0 120 124,-0.3 3,-0.3 1,-0.2 -3,-0.1 0.592 131.2 64.8 -70.9 -10.7 -23.2 -10.4 13.4 53 90 A D T > + 0 0 7 1,-0.2 3,-1.8 2,-0.1 4,-0.4 0.551 66.6 108.5 -89.1 -7.8 -22.5 -6.7 13.9 54 91 A E T < S+ 0 0 99 -3,-1.3 -1,-0.2 1,-0.3 3,-0.1 0.768 92.9 22.3 -39.8 -40.8 -20.8 -6.2 10.5 55 92 A N T 3 S+ 0 0 95 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 -0.316 97.6 95.3-127.2 50.2 -23.8 -4.2 9.1 56 93 A K S < S+ 0 0 134 -3,-1.8 3,-0.2 1,-0.1 -2,-0.1 0.596 76.9 48.3-116.7 -12.0 -25.7 -2.8 12.1 57 94 A Y + 0 0 30 -4,-0.4 -30,-4.1 -3,-0.1 4,-0.2 -0.264 59.3 131.1-125.9 51.0 -24.6 0.7 12.8 58 95 A K S S+ 0 0 90 -32,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.838 73.7 48.6 -70.2 -34.4 -24.7 2.4 9.4 59 96 A E S S- 0 0 146 -3,-0.2 -32,-0.2 1,-0.1 -34,-0.1 -0.762 114.1 -77.7-103.1 154.6 -26.6 5.3 10.8 60 97 A K - 0 0 132 -2,-0.3 2,-0.4 -34,-0.1 -34,-0.2 -0.284 54.5-163.5 -51.9 123.2 -25.6 7.2 14.1 61 98 A T E -A 25 0A 39 -36,-3.5 -36,-2.5 -4,-0.2 3,-0.2 -0.953 3.7-158.3-120.1 134.0 -26.7 5.0 17.0 62 99 A H E + 0 0 123 -2,-0.4 -38,-0.2 -38,-0.2 -39,-0.1 -0.648 62.2 39.1-107.6 165.3 -27.1 6.1 20.6 63 100 A G E S+ 0 0 13 -2,-0.2 25,-2.2 1,-0.2 2,-0.3 0.840 73.1 154.1 70.0 39.5 -27.1 4.2 23.9 64 101 A L E -AB 23 87A 4 -41,-2.4 -41,-3.1 -3,-0.2 2,-0.3 -0.697 31.5-155.4-102.5 151.9 -24.4 1.6 23.3 65 102 A D E - B 0 86A 12 21,-2.8 21,-2.1 -2,-0.3 2,-0.4 -0.899 13.5-163.6-115.3 149.7 -22.1 -0.2 25.7 66 103 A V E -AB 20 85A 4 -46,-2.5 -46,-2.9 -2,-0.3 2,-0.6 -0.984 15.1-161.4-142.4 126.3 -18.7 -1.6 24.5 67 104 A F E -A 19 0A 2 17,-2.3 2,-0.4 -2,-0.4 -48,-0.2 -0.950 26.6-170.2-103.8 121.2 -16.4 -4.1 26.1 68 105 A A E +A 18 0A 0 -50,-2.5 -50,-2.0 -2,-0.6 16,-0.1 -0.929 19.9 177.1-123.0 141.5 -13.0 -3.6 24.5 69 106 A V - 0 0 1 -2,-0.4 13,-0.3 -52,-0.2 2,-0.3 -0.998 37.5-111.5-135.4 131.5 -9.8 -5.6 24.6 70 107 A P + 0 0 26 0, 0.0 11,-0.2 0, 0.0 3,-0.1 -0.509 32.9 172.7 -74.1 129.1 -6.8 -4.6 22.6 71 108 A E S S- 0 0 60 9,-3.1 2,-0.3 1,-0.5 10,-0.2 0.684 85.1 -19.5 -89.4 -34.8 -5.8 -6.8 19.7 72 109 A L E -F 80 0B 88 8,-1.1 8,-2.9 -3,-0.2 -1,-0.5 -0.969 59.1-134.7-160.1 167.0 -3.3 -4.0 19.0 73 110 A V E -F 79 0B 82 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.998 26.9-137.1-129.1 123.5 -2.7 -0.3 19.7 74 111 A D > - 0 0 47 4,-2.3 3,-2.0 -2,-0.4 -2,-0.0 -0.167 35.1 -89.1 -75.5 175.9 -1.7 2.0 16.8 75 112 A L T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.742 125.6 52.5 -59.8 -25.7 1.0 4.7 17.0 76 113 A D T 3 S- 0 0 111 2,-0.1 -1,-0.3 -32,-0.0 -32,-0.1 0.277 122.2-101.1 -96.0 15.5 -1.4 7.4 18.2 77 114 A G S < S+ 0 0 29 -3,-2.0 -33,-0.4 1,-0.3 2,-0.3 0.447 70.4 149.6 85.6 3.1 -2.7 5.3 21.1 78 115 A R - 0 0 38 -35,-0.1 -4,-2.3 -33,-0.1 2,-0.6 -0.542 42.9-132.8 -75.0 129.8 -6.0 4.2 19.5 79 116 A I E -eF 45 73B 3 -35,-2.6 -33,-2.2 -2,-0.3 2,-0.6 -0.736 10.7-147.7 -90.2 117.3 -7.0 0.7 20.7 80 117 A F E +eF 46 72B 19 -8,-2.9 -9,-3.1 -2,-0.6 -8,-1.1 -0.749 30.2 162.3 -86.7 119.2 -8.1 -1.8 18.1 81 118 A S E -e 47 0B 0 -35,-2.2 -33,-3.5 -2,-0.6 2,-0.5 -0.915 34.2-117.7-136.5 160.9 -10.8 -4.2 19.4 82 119 A V E -e 48 0B 7 -13,-0.3 -33,-0.2 -2,-0.3 -35,-0.1 -0.889 56.9 -62.3-108.3 122.6 -13.3 -6.6 18.0 83 120 A S + 0 0 0 -35,-2.8 96,-0.2 -2,-0.5 -16,-0.1 -0.097 61.2 146.5 47.6-131.6 -17.1 -6.2 18.4 84 121 A G + 0 0 1 94,-1.4 -17,-2.3 1,-0.2 2,-0.4 0.775 35.4 146.6 71.4 26.8 -18.3 -6.5 22.1 85 122 A V E +B 66 0A 5 -19,-0.2 2,-0.3 93,-0.1 -1,-0.2 -0.826 14.6 153.9-102.7 137.0 -21.1 -4.0 21.4 86 123 A T E -B 65 0A 4 -21,-2.1 -21,-2.8 -2,-0.4 2,-0.3 -0.888 45.8 -87.4-147.1 172.5 -24.5 -4.1 23.1 87 124 A K E -B 64 0A 150 -2,-0.3 38,-0.4 -23,-0.2 -23,-0.2 -0.638 49.9-111.1 -83.8 147.2 -27.5 -1.9 24.1 88 125 A K - 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