==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-JUN-03 1PQX . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS . AUTHOR M.C.BARAN,J.M.ARAMINI,R.XIAO,Y.J.HUANG,T.B.ACTON,L.SHIH, . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 51.6 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 . 20 22.0 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 . 6 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 13.2 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 1 0 0 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 . 1 0 1 0 1 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 0 134 0, 0.0 18,-0.1 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 49.8 12.9 1.6 -3.4 2 2 A K - 0 0 118 16,-0.2 17,-0.1 81,-0.0 16,-0.0 -0.213 360.0 -59.7-166.8 62.8 11.4 -1.8 -2.5 3 3 A I + 0 0 66 2,-0.1 16,-0.2 1,-0.1 3,-0.1 0.907 57.2 176.4 55.1 101.6 10.6 -2.2 1.2 4 4 A I - 0 0 91 14,-2.2 2,-0.3 1,-0.3 15,-0.1 0.718 62.5 -11.3-105.4 -30.1 13.8 -1.8 3.2 5 5 A S B -A 18 0A 54 13,-0.6 13,-1.7 11,-0.0 -1,-0.3 -0.887 56.9-139.4-172.6 140.0 12.4 -2.0 6.7 6 6 A I - 0 0 78 -2,-0.3 2,-0.4 11,-0.2 11,-0.1 -0.386 18.6-137.3 -94.5 175.9 9.1 -2.0 8.7 7 7 A S - 0 0 52 9,-0.4 9,-0.4 -2,-0.1 2,-0.1 -1.000 13.3-120.6-140.9 139.2 8.3 -0.3 12.0 8 8 A E + 0 0 164 -2,-0.4 4,-0.1 7,-0.1 3,-0.1 -0.455 33.3 177.7 -76.6 147.9 6.5 -1.4 15.1 9 9 A T - 0 0 64 2,-0.4 5,-0.0 -2,-0.1 -2,-0.0 -0.991 43.9-108.5-149.5 151.4 3.4 0.5 16.2 10 10 A P S S+ 0 0 146 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.863 107.0 46.7 -47.0 -41.5 0.8 0.2 19.0 11 11 A N - 0 0 109 3,-0.1 -2,-0.4 1,-0.1 0, 0.0 -0.359 66.8-154.2 -95.7 178.6 -1.8 -0.8 16.4 12 12 A H S S+ 0 0 124 -2,-0.1 3,-0.1 -4,-0.1 -1,-0.1 0.098 72.9 91.8-140.8 20.1 -1.5 -3.3 13.6 13 13 A N S S+ 0 0 38 1,-0.3 52,-3.3 51,-0.1 2,-0.3 0.720 98.4 20.4 -88.4 -24.1 -4.0 -2.0 11.1 14 14 A T E - B 0 64A 36 50,-0.3 2,-0.3 40,-0.0 -1,-0.3 -0.965 67.1-168.1-150.1 129.6 -1.5 0.1 9.2 15 15 A M E - B 0 63A 30 48,-1.5 48,-2.2 -2,-0.3 2,-0.4 -0.838 23.8-118.3-116.5 154.5 2.3 -0.1 9.1 16 16 A K E - B 0 62A 76 -9,-0.4 2,-0.6 -2,-0.3 -9,-0.4 -0.768 20.9-141.7 -95.0 134.6 4.9 2.3 7.7 17 17 A I E - B 0 61A 10 44,-3.0 44,-1.2 -2,-0.4 2,-0.4 -0.842 11.9-142.1 -98.3 123.2 7.1 1.3 4.8 18 18 A T E -AB 5 60A 43 -13,-1.7 -14,-2.2 -2,-0.6 -13,-0.6 -0.687 16.6-152.8 -85.5 131.5 10.7 2.5 4.9 19 19 A L - 0 0 17 40,-1.3 40,-0.1 -2,-0.4 -1,-0.0 -0.623 29.1-111.9-101.2 162.2 12.2 3.6 1.5 20 20 A S S S+ 0 0 68 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 0.551 97.3 87.5 -67.5 -5.5 15.8 3.5 0.4 21 21 A E - 0 0 92 38,-0.2 2,-0.3 2,-0.0 -2,-0.2 -0.474 59.0-173.8 -92.1 165.6 15.5 7.3 0.4 22 22 A S + 0 0 81 -2,-0.1 3,-0.4 36,-0.0 -2,-0.0 -0.933 43.1 4.8-150.7 171.5 16.0 9.7 3.3 23 23 A R S S+ 0 0 213 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 0.056 109.3 45.3 44.1-158.6 15.7 13.3 4.4 24 24 A E S S- 0 0 197 1,-0.1 -1,-0.2 -3,-0.0 2,-0.1 0.015 99.5-121.9 32.6 -96.9 14.1 15.7 1.9 25 25 A G - 0 0 33 -3,-0.4 34,-0.2 33,-0.1 33,-0.1 -0.268 15.8-138.1 134.6 139.0 11.2 13.6 0.8 26 26 A M - 0 0 74 32,-1.1 32,-0.2 1,-0.3 33,-0.1 0.523 67.0 -10.9 -90.5-123.6 9.8 12.1 -2.4 27 27 A T - 0 0 72 30,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.291 56.5-166.8 -75.5 164.1 6.1 12.0 -3.3 28 28 A S + 0 0 68 29,-0.2 2,-0.3 -3,-0.1 29,-0.3 -0.725 30.9 114.2-158.2 101.3 3.3 12.9 -0.8 29 29 A D E -C 56 0A 83 27,-0.6 27,-3.5 -2,-0.2 2,-0.4 -0.984 54.3-111.3-162.8 160.2 -0.4 12.1 -1.4 30 30 A T E -C 55 0A 73 -2,-0.3 2,-0.6 25,-0.2 25,-0.2 -0.840 21.7-160.5-102.6 135.2 -3.3 10.0 -0.2 31 31 A Y E +C 54 0A 8 23,-2.3 23,-2.0 -2,-0.4 4,-0.1 -0.923 35.6 137.7-119.2 106.6 -4.7 7.2 -2.3 32 32 A T S S+ 0 0 100 -2,-0.6 -1,-0.1 2,-0.2 3,-0.1 0.364 85.5 24.1-123.9 -3.1 -8.3 6.1 -1.3 33 33 A K S S- 0 0 174 1,-0.2 -2,-0.0 2,-0.1 20,-0.0 -0.009 105.7-112.7-154.1 34.8 -9.7 5.7 -4.8 34 34 A V S S+ 0 0 29 8,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.190 78.6 88.6 51.6 177.9 -6.7 5.1 -7.1 35 35 A D + 0 0 128 -4,-0.1 -3,-0.2 1,-0.1 -2,-0.1 0.855 39.4 119.7 62.5 109.3 -5.7 7.7 -9.7 36 36 A D S S- 0 0 63 2,-0.2 -1,-0.1 -5,-0.1 -2,-0.1 0.223 95.0 -80.1 175.2 21.1 -3.3 10.3 -8.4 37 37 A S S S+ 0 0 115 1,-0.2 3,-0.1 3,-0.0 -3,-0.0 0.664 89.2 141.3 74.7 18.2 -0.1 9.9 -10.6 38 38 A Q - 0 0 24 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.316 62.9 -77.1 -84.2 172.1 0.9 6.9 -8.5 39 39 A P >> - 0 0 66 0, 0.0 3,-2.8 0, 0.0 4,-1.0 -0.537 32.8-130.7 -73.1 130.1 2.6 3.7 -9.9 40 40 A A H >> S+ 0 0 67 1,-0.3 4,-1.2 -2,-0.3 3,-1.0 0.852 109.2 66.7 -46.8 -37.2 0.1 1.3 -11.5 41 41 A F H 3> S+ 0 0 105 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.830 99.0 51.0 -54.2 -33.3 1.7 -1.3 -9.4 42 42 A I H <> S+ 0 0 10 -3,-2.8 4,-2.0 1,-0.2 -1,-0.3 0.754 96.0 68.7 -77.5 -23.6 0.2 0.5 -6.4 43 43 A N H < S- 0 0 21 -4,-1.6 3,-2.0 -3,-0.5 26,-0.0 -0.621 82.8-114.7 -76.3 116.9 -6.3 -5.9 -3.6 49 49 A E T 3 S+ 0 0 181 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.211 100.5 39.6 -51.7 134.4 -9.0 -7.1 -1.3 50 50 A G T 3 S+ 0 0 13 1,-0.5 16,-2.2 -4,-0.1 19,-0.2 -0.065 88.7 109.9 113.5 -30.2 -8.1 -6.5 2.3 51 51 A V E < - D 0 65A 16 -3,-2.0 -1,-0.5 -6,-0.3 14,-0.3 -0.526 43.1-174.0 -79.5 145.0 -6.5 -3.1 1.8 52 52 A K E - 0 0 129 12,-2.5 2,-0.3 1,-0.4 13,-0.2 0.827 57.0 -47.6-103.1 -52.3 -8.3 -0.0 3.1 53 53 A S E - D 0 64A 30 11,-1.6 11,-1.9 -20,-0.0 -1,-0.4 -0.968 46.0-121.6-170.0 178.4 -6.2 2.9 1.9 54 54 A I E -CD 31 63A 2 -23,-2.0 -23,-2.3 -2,-0.3 2,-0.4 -0.975 8.7-161.5-138.6 151.4 -2.8 4.3 1.5 55 55 A F E -CD 30 62A 80 7,-1.6 7,-2.6 -2,-0.3 2,-0.4 -0.910 8.1-164.0-138.2 107.6 -1.0 7.5 2.6 56 56 A H E +CD 29 61A 18 -27,-3.5 -27,-0.6 -2,-0.4 2,-0.3 -0.780 27.5 138.5 -94.6 131.6 2.2 8.7 0.9 57 57 A V E > - D 0 60A 39 3,-1.9 3,-2.2 -2,-0.4 -29,-0.2 -0.976 54.1 -13.9-165.6 156.9 4.3 11.3 2.6 58 58 A M T 3 S- 0 0 104 -2,-0.3 -32,-1.1 1,-0.2 -33,-0.1 -0.086 119.6 -33.5 44.0-139.0 7.9 12.2 3.4 59 59 A D T 3 S+ 0 0 34 -34,-0.2 -40,-1.3 -33,-0.1 2,-0.3 -0.168 127.0 55.4-103.7 39.0 10.3 9.3 2.8 60 60 A F E < -BD 18 57A 33 -3,-2.2 -3,-1.9 -42,-0.2 2,-0.4 -0.966 67.2-133.1-158.3 170.8 7.8 6.6 3.8 61 61 A I E -BD 17 56A 10 -44,-1.2 -44,-3.0 -2,-0.3 2,-0.7 -0.997 9.8-145.7-138.1 133.2 4.3 5.2 3.1 62 62 A S E -BD 16 55A 22 -7,-2.6 -7,-1.6 -2,-0.4 2,-0.6 -0.861 16.3-168.3-101.0 111.4 1.5 4.2 5.5 63 63 A V E -BD 15 54A 5 -48,-2.2 -48,-1.5 -2,-0.7 2,-0.4 -0.885 4.7-167.7-103.5 117.4 -0.5 1.2 4.3 64 64 A D E -BD 14 53A 35 -11,-1.9 -12,-2.5 -2,-0.6 -11,-1.6 -0.838 5.9-177.4-106.2 141.9 -3.7 0.6 6.2 65 65 A K E - D 0 51A 13 -52,-3.3 2,-0.5 -2,-0.4 -14,-0.2 -0.540 35.9 -78.9-121.8-171.6 -5.8 -2.6 5.9 66 66 A E > - 0 0 95 -16,-2.2 3,-1.9 -2,-0.2 -14,-0.0 -0.812 28.3-133.4 -97.2 131.7 -9.1 -3.9 7.3 67 67 A N T 3 S+ 0 0 143 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.781 110.6 59.6 -50.6 -26.7 -9.0 -5.4 10.9 68 68 A D T 3 S+ 0 0 137 -18,-0.1 -1,-0.3 2,-0.1 2,-0.0 0.831 104.8 57.2 -71.5 -33.2 -11.0 -8.2 9.3 69 69 A A S < S- 0 0 18 -3,-1.9 2,-0.2 -19,-0.2 -19,-0.1 -0.126 78.1-135.7 -86.9-172.9 -8.2 -9.0 6.9 70 70 A N - 0 0 80 1,-0.1 4,-0.5 -2,-0.0 -4,-0.2 -0.716 15.3-122.7-134.2-175.4 -4.5 -9.8 7.6 71 71 A W S > S+ 0 0 12 -2,-0.2 4,-4.6 2,-0.2 -1,-0.1 0.831 104.5 61.6 -99.1 -46.8 -1.0 -9.0 6.4 72 72 A E T 4 S+ 0 0 134 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.724 110.0 47.1 -53.3 -21.9 0.3 -12.4 5.4 73 73 A T T 4 S+ 0 0 68 2,-0.1 4,-0.3 3,-0.1 -1,-0.2 0.867 119.8 35.4 -86.3 -43.8 -2.5 -12.4 2.9 74 74 A V T >> S+ 0 0 0 -4,-0.5 4,-2.1 2,-0.1 3,-1.3 0.837 106.2 69.7 -78.7 -37.8 -2.0 -9.0 1.5 75 75 A L H 3X S+ 0 0 76 -4,-4.6 4,-2.9 1,-0.3 5,-0.3 0.927 90.9 58.8 -47.7 -57.5 1.8 -9.0 1.8 76 76 A P H 3> S+ 0 0 67 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.799 112.0 43.6 -44.3 -32.2 2.3 -11.6 -1.1 77 77 A K H <> S+ 0 0 94 -3,-1.3 4,-0.8 -4,-0.3 -2,-0.2 0.878 111.3 52.5 -81.8 -41.2 0.5 -9.1 -3.3 78 78 A V H >X S+ 0 0 14 -4,-2.1 3,-1.3 1,-0.2 4,-0.9 0.914 104.0 56.9 -60.7 -45.1 2.4 -6.1 -2.0 79 79 A E H 3< S+ 0 0 134 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.885 98.5 61.9 -53.8 -41.0 5.8 -7.7 -2.7 80 80 A A H >< S+ 0 0 47 -4,-0.7 3,-1.1 -5,-0.3 -1,-0.3 0.812 95.7 63.8 -55.3 -32.9 4.8 -8.2 -6.3 81 81 A V H << S+ 0 0 7 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.987 112.1 30.0 -56.7 -66.6 4.5 -4.4 -6.6 82 82 A F T 3< S+ 0 0 52 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.068 125.3 56.0 -83.3 27.2 8.2 -3.6 -6.0 83 83 A E < + 0 0 117 -3,-1.1 -1,-0.2 -5,-0.2 -81,-0.0 -0.582 67.5 94.1-160.3 88.1 9.1 -6.9 -7.5 84 84 A L S S- 0 0 84 -3,-0.1 -4,-0.1 -2,-0.1 -2,-0.1 0.156 97.0 -71.5-164.2 21.6 7.9 -7.7 -11.0 85 85 A E - 0 0 138 1,-0.1 2,-0.6 -3,-0.1 -2,-0.1 0.599 44.4-127.7 83.3 123.7 10.8 -6.7 -13.3 86 86 A H + 0 0 167 -4,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.913 49.9 125.2-109.1 115.2 11.7 -3.0 -14.0 87 87 A H - 0 0 125 -2,-0.6 2,-0.4 2,-0.0 0, 0.0 -0.882 60.9-108.3-152.1-178.8 12.0 -2.0 -17.6 88 88 A H - 0 0 168 -2,-0.3 3,-0.3 3,-0.0 -2,-0.0 -0.629 34.0-152.0-121.6 71.2 10.7 0.6 -20.2 89 89 A H + 0 0 163 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.175 52.0 117.8 -45.5 120.2 8.4 -1.4 -22.5 90 90 A H 0 0 154 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.356 360.0 360.0-156.0 -36.4 8.5 0.4 -25.8 91 91 A H 0 0 238 -3,-0.3 -3,-0.0 0, 0.0 -2,-0.0 -0.457 360.0 360.0 63.3 360.0 9.9 -2.0 -28.4