==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 12-FEB-07 2OV3 . COMPND 2 MOLECULE: PERIPLASMIC BINDING PROTEIN COMPONENT OF AN ABC . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR T.J.SMITH,B.WEI . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 0 0.0 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 . 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 2 1 0 0 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 47 A D 0 0 198 0, 0.0 22,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 177.2 19.7 -39.3 32.1 2 48 A A - 0 0 20 22,-0.1 2,-0.3 1,-0.1 22,-0.2 -0.269 360.0-125.1 -55.3 126.0 16.9 -37.4 30.2 3 49 A M E -a 24 0A 12 20,-2.5 22,-2.5 1,-0.1 2,-0.9 -0.550 18.6-129.2 -74.8 131.0 18.3 -34.2 28.7 4 50 A D E +a 25 0A 49 47,-0.3 49,-3.2 -2,-0.3 50,-1.0 -0.725 34.7 170.3 -89.3 106.3 16.4 -31.1 29.7 5 51 A I E -ab 26 54A 0 20,-1.3 22,-1.6 -2,-0.9 2,-0.4 -0.890 18.1-152.3-113.4 142.8 15.4 -29.0 26.7 6 52 A T E -ab 27 55A 12 48,-1.9 50,-2.6 -2,-0.4 2,-0.3 -0.890 10.6-168.4-114.4 147.4 13.1 -26.1 26.8 7 53 A V E -ab 28 56A 0 20,-3.7 22,-2.5 -2,-0.4 23,-0.2 -0.929 26.3-129.3-130.5 158.9 10.9 -24.8 23.9 8 54 A S S S+ 0 0 0 48,-1.0 22,-2.4 -2,-0.3 -1,-0.1 0.870 85.6 20.8 -75.5 -38.9 8.8 -21.7 23.3 9 55 A I S >> S- 0 0 0 20,-0.2 3,-1.3 19,-0.1 4,-1.2 -0.937 77.0-107.9-136.9 157.1 5.5 -23.3 22.3 10 56 A P H 3> S+ 0 0 14 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.840 113.0 60.1 -45.7 -44.7 3.5 -26.6 22.6 11 57 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.844 100.6 55.4 -57.5 -34.0 3.9 -27.5 18.9 12 58 A Q H <> S+ 0 0 5 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.901 101.3 58.0 -66.5 -37.7 7.7 -27.6 19.4 13 59 A Q H X S+ 0 0 65 -4,-1.2 4,-2.7 -3,-0.3 5,-0.3 0.913 101.9 55.7 -57.6 -40.0 7.2 -30.1 22.2 14 60 A Y H X S+ 0 0 42 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.960 110.7 44.2 -54.8 -51.1 5.4 -32.3 19.7 15 61 A F H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.858 113.6 49.7 -62.6 -40.2 8.5 -32.2 17.4 16 62 A L H X S+ 0 0 1 -4,-2.7 4,-3.8 2,-0.2 5,-0.5 0.869 111.2 49.4 -69.0 -36.1 11.0 -32.7 20.3 17 63 A E H X S+ 0 0 82 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.941 110.9 49.3 -67.9 -45.9 9.0 -35.7 21.6 18 64 A K H < S+ 0 0 69 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.866 123.1 34.1 -58.4 -37.6 8.9 -37.2 18.1 19 65 A I H < S+ 0 0 0 -4,-1.9 115,-0.3 -5,-0.2 116,-0.2 0.854 128.3 31.9 -87.3 -41.8 12.7 -36.7 17.8 20 66 A G H >< S- 0 0 0 -4,-3.8 3,-1.9 -5,-0.2 -3,-0.2 0.756 76.5-179.6 -92.5 -26.4 13.9 -37.2 21.3 21 67 A G G >< S- 0 0 28 -4,-2.1 3,-1.0 -5,-0.5 -1,-0.2 -0.357 74.1 -16.7 61.9-137.5 11.6 -39.8 22.8 22 68 A D G 3 S+ 0 0 134 1,-0.2 -1,-0.3 3,-0.1 -20,-0.1 0.306 126.3 80.7 -83.0 8.9 12.4 -40.6 26.4 23 69 A L G < S+ 0 0 26 -3,-1.9 -20,-2.5 -6,-0.1 2,-0.3 0.473 92.7 52.0 -91.2 -5.7 15.9 -39.1 25.9 24 70 A V E < -a 3 0A 8 -3,-1.0 2,-0.5 -22,-0.2 -20,-0.2 -0.952 61.0-156.7-132.7 153.3 14.5 -35.6 26.4 25 71 A R E -a 4 0A 142 -22,-2.5 -20,-1.3 -2,-0.3 2,-0.3 -0.947 28.2-154.5-127.7 101.2 12.3 -33.9 29.0 26 72 A V E -a 5 0A 17 -2,-0.5 2,-0.4 -22,-0.2 -20,-0.2 -0.600 11.2-166.8 -85.0 138.7 10.7 -30.9 27.3 27 73 A S E -a 6 0A 63 -22,-1.6 -20,-3.7 -2,-0.3 2,-0.5 -0.970 11.1-146.3-122.4 139.8 9.5 -27.7 29.0 28 74 A V E -a 7 0A 41 -2,-0.4 -20,-0.2 -22,-0.2 -19,-0.1 -0.915 7.9-165.5-109.3 130.8 7.3 -25.2 27.3 29 75 A L S S+ 0 0 4 -22,-2.5 13,-0.2 -2,-0.5 -21,-0.2 0.907 77.5 50.5 -80.2 -45.6 7.6 -21.5 28.0 30 76 A V S S- 0 0 0 -22,-2.4 -1,-0.2 -23,-0.2 4,-0.0 -0.845 82.2-133.8-103.7 119.7 4.3 -20.3 26.4 31 77 A P > - 0 0 53 0, 0.0 3,-1.7 0, 0.0 -2,-0.0 -0.276 24.0-116.1 -62.2 151.4 1.0 -22.1 27.4 32 78 A G T 3 S+ 0 0 25 1,-0.3 205,-0.2 205,-0.1 206,-0.1 0.769 112.8 56.6 -62.2 -29.8 -1.2 -23.0 24.5 33 79 A N T 3 S+ 0 0 119 2,-0.1 2,-0.3 204,-0.1 -1,-0.3 0.290 96.8 89.0 -86.0 12.1 -4.1 -20.7 25.6 34 80 A N S < S- 0 0 53 -3,-1.7 180,-0.1 203,-0.1 181,-0.1 -0.806 80.2-119.5-112.9 153.3 -1.7 -17.7 25.6 35 81 A D > - 0 0 28 -2,-0.3 3,-1.4 179,-0.2 -2,-0.1 -0.779 20.9-160.8 -87.5 109.8 -0.7 -15.2 22.9 36 82 A P G > S+ 0 0 8 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.677 84.1 70.8 -64.9 -16.6 3.1 -15.6 22.5 37 83 A H G 3 S+ 0 0 71 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.770 114.2 24.1 -74.4 -21.1 3.3 -12.2 20.9 38 84 A T G < S+ 0 0 112 -3,-1.4 2,-0.3 2,-0.0 -1,-0.2 -0.050 95.4 131.7-129.2 26.8 2.6 -10.4 24.2 39 85 A Y < - 0 0 15 -3,-0.7 -9,-0.1 -5,-0.1 -5,-0.0 -0.615 38.8-160.8 -85.8 143.7 3.7 -13.2 26.6 40 86 A E - 0 0 96 -2,-0.3 26,-0.0 26,-0.0 -2,-0.0 -0.982 21.8-123.2-125.2 119.8 6.1 -12.5 29.5 41 87 A P - 0 0 9 0, 0.0 -11,-0.1 0, 0.0 -12,-0.0 -0.365 28.5-123.4 -63.2 141.7 8.0 -15.4 31.1 42 88 A K >> - 0 0 97 -13,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.524 20.5-111.2 -84.5 151.7 7.3 -15.8 34.8 43 89 A P H 3> S+ 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.833 118.6 55.7 -50.5 -38.9 10.2 -15.8 37.4 44 90 A Q H 3> S+ 0 0 168 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.891 108.3 50.3 -63.6 -35.6 9.8 -19.5 38.1 45 91 A Q H <> S+ 0 0 40 -3,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.903 109.5 49.0 -69.1 -40.2 10.2 -20.1 34.4 46 92 A L H < S+ 0 0 49 -4,-1.9 3,-0.3 1,-0.2 4,-0.3 0.900 111.8 50.7 -65.9 -37.7 13.4 -18.0 34.3 47 93 A A H >< S+ 0 0 65 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.920 106.0 54.0 -64.6 -45.1 14.7 -19.9 37.3 48 94 A A H >X S+ 0 0 61 -4,-2.3 3,-2.1 1,-0.3 4,-0.5 0.758 90.8 77.7 -62.0 -25.0 14.0 -23.3 35.8 49 95 A L G >< S+ 0 0 3 -4,-1.2 3,-0.6 1,-0.3 -1,-0.3 0.691 74.7 77.0 -59.0 -18.8 16.1 -22.3 32.7 50 96 A S G <4 S+ 0 0 66 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.1 0.670 97.0 46.7 -67.5 -14.3 19.3 -22.9 34.7 51 97 A E G <4 S+ 0 0 131 -3,-2.1 -47,-0.3 -4,-0.1 -1,-0.2 0.613 84.6 110.4 -99.6 -18.7 18.7 -26.6 34.2 52 98 A A << - 0 0 5 -3,-0.6 -47,-0.2 -4,-0.5 3,-0.1 -0.417 51.8-162.1 -63.8 123.1 17.9 -26.4 30.4 53 99 A E S S- 0 0 85 -49,-3.2 25,-1.5 -2,-0.2 2,-0.3 0.748 76.5 -8.5 -75.8 -23.8 20.8 -27.9 28.4 54 100 A A E -bc 5 78A 0 -50,-1.0 -48,-1.9 23,-0.3 2,-0.4 -0.960 62.4-135.8-160.4 171.8 19.4 -26.1 25.4 55 101 A Y E -bc 6 79A 0 23,-3.2 25,-3.7 -2,-0.3 2,-0.9 -0.991 15.6-138.9-141.0 127.8 16.5 -24.0 24.2 56 102 A V E -bc 7 80A 2 -50,-2.6 -48,-1.0 -2,-0.4 25,-0.2 -0.770 21.0-161.8 -93.5 102.9 14.8 -24.5 20.8 57 103 A L E - c 0 81A 18 23,-2.0 25,-2.1 -2,-0.9 26,-0.1 -0.474 20.6-145.0 -78.6 151.0 14.0 -21.1 19.3 58 104 A I - 0 0 1 1,-0.2 -1,-0.1 23,-0.2 2,-0.1 0.811 43.7-159.0 -80.1 -34.3 11.4 -20.8 16.6 59 105 A G > + 0 0 6 23,-0.1 3,-1.3 24,-0.1 -1,-0.2 -0.420 59.9 100.4 86.6-166.4 13.6 -18.1 15.2 60 106 A L T 3 S- 0 0 47 1,-0.3 -1,-0.1 -2,-0.1 41,-0.1 0.836 120.9 -60.2 53.8 35.4 12.6 -15.3 12.8 61 107 A G T 3 S+ 0 0 55 38,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.766 102.8 129.9 67.4 28.0 12.4 -12.9 15.8 62 108 A F S < S+ 0 0 6 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.858 78.5 38.0 -79.6 -33.7 9.7 -14.9 17.6 63 109 A E S >> S+ 0 0 5 1,-0.2 4,-1.9 2,-0.1 3,-1.3 0.306 82.3 111.1 -97.2 4.8 11.6 -14.9 20.9 64 110 A Q T 34 + 0 0 120 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.833 69.7 62.7 -48.8 -40.9 12.9 -11.4 20.6 65 111 A P T 34 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.857 125.2 15.0 -56.6 -36.3 10.7 -10.1 23.4 66 112 A W T <> S+ 0 0 1 -3,-1.3 4,-2.0 2,-0.1 -2,-0.2 0.338 93.1 112.6-120.1 5.1 12.4 -12.4 25.9 67 113 A L H X S+ 0 0 39 -4,-1.9 4,-1.5 1,-0.2 3,-0.1 0.875 83.2 44.0 -43.5 -51.0 15.5 -13.4 23.9 68 114 A E H > S+ 0 0 124 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.907 107.5 56.7 -66.2 -43.7 17.8 -11.5 26.3 69 115 A K H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.841 105.3 56.3 -57.6 -30.2 16.2 -12.7 29.5 70 116 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 3,-0.3 0.956 107.8 43.8 -65.8 -51.6 16.9 -16.2 28.2 71 117 A K H < S+ 0 0 89 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.833 114.0 52.8 -61.9 -32.7 20.7 -15.6 27.8 72 118 A A H < S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.796 106.6 52.5 -72.5 -30.8 20.7 -13.9 31.2 73 119 A A H < S- 0 0 31 -4,-1.5 2,-0.2 -3,-0.3 -2,-0.2 0.872 135.1 -4.5 -72.8 -36.6 18.9 -17.0 32.7 74 120 A N < - 0 0 22 -4,-1.9 -1,-0.3 -5,-0.1 3,-0.3 -0.739 52.1-176.0-162.4 109.5 21.6 -19.3 31.3 75 121 A A S S+ 0 0 86 -3,-0.2 -3,-0.1 -2,-0.2 -4,-0.1 0.691 91.7 57.6 -77.3 -20.0 24.5 -18.4 29.0 76 122 A N S S+ 0 0 148 -5,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.701 80.0 108.8 -82.6 -20.1 25.5 -22.0 28.7 77 123 A M S S- 0 0 8 -3,-0.3 2,-0.5 -7,-0.2 -23,-0.3 -0.392 75.0-126.8 -59.9 122.2 22.1 -22.9 27.4 78 124 A K E -c 54 0A 93 -25,-1.5 -23,-3.2 -2,-0.2 2,-0.6 -0.617 17.9-143.9 -76.2 122.6 22.5 -23.8 23.7 79 125 A L E -c 55 0A 42 -2,-0.5 2,-0.8 -25,-0.2 -23,-0.2 -0.769 10.2-157.9 -89.5 122.1 20.1 -21.7 21.6 80 126 A I E -c 56 0A 2 -25,-3.7 -23,-2.0 -2,-0.6 2,-1.4 -0.868 4.4-157.6-104.9 106.5 18.8 -23.7 18.7 81 127 A D E > -c 57 0A 68 -2,-0.8 3,-1.2 1,-0.2 -23,-0.2 -0.705 11.2-175.6 -81.0 95.9 17.5 -21.5 15.9 82 128 A S T 3 S+ 0 0 3 -25,-2.1 33,-0.2 -2,-1.4 -1,-0.2 0.596 76.0 61.9 -71.8 -8.6 15.2 -24.1 14.3 83 129 A A T > S+ 0 0 6 -26,-0.1 3,-1.5 -3,-0.1 -1,-0.2 0.513 74.2 126.9 -94.1 -5.6 14.4 -21.6 11.5 84 130 A Q T < + 0 0 98 -3,-1.2 3,-0.1 1,-0.2 31,-0.1 -0.158 69.4 22.2 -55.9 144.2 17.9 -21.3 10.1 85 131 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.427 96.8 117.3 81.5 -0.4 18.5 -22.0 6.5 86 132 A I < - 0 0 28 -3,-1.5 -1,-0.2 25,-0.0 -3,-0.0 -0.825 66.2-128.9-104.7 139.9 14.9 -21.3 5.6 87 133 A T - 0 0 129 -2,-0.4 -3,-0.0 -3,-0.1 2,-0.0 -0.760 35.0-149.6 -85.7 114.2 13.7 -18.5 3.3 88 134 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 10,-0.0 -0.202 6.3-119.4 -79.5 170.2 10.9 -16.7 5.3 89 135 A L - 0 0 46 10,-0.5 10,-2.9 1,-0.0 2,-0.2 -0.723 32.0-102.7-105.7 159.8 7.8 -14.9 4.2 90 136 A E B -D 98 0B 125 -2,-0.3 8,-0.2 8,-0.2 5,-0.1 -0.541 41.2-103.0 -81.4 148.7 7.1 -11.2 4.8 91 137 A M - 0 0 36 6,-2.7 6,-0.2 3,-0.5 -1,-0.1 -0.407 28.8-117.1 -68.6 148.1 4.6 -10.4 7.5 92 138 A P S S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.923 105.6 43.9 -52.0 -47.8 1.1 -9.4 6.2 93 139 A G S S+ 0 0 6 1,-0.2 93,-0.1 94,-0.1 94,-0.1 0.746 118.0 21.7 -65.4-120.4 1.6 -5.9 7.7 94 140 A R S > S- 0 0 146 91,-0.4 3,-0.8 1,-0.2 2,-0.6 -0.285 75.7-140.8 -52.2 123.4 4.9 -4.2 7.3 95 141 A L T 3 S+ 0 0 96 1,-0.2 -1,-0.2 -5,-0.1 -5,-0.1 -0.134 90.2 64.2 -83.9 38.4 6.5 -5.8 4.2 96 174 A M T 3 S+ 0 0 175 -2,-0.6 2,-0.4 2,-0.1 -1,-0.2 0.033 83.4 83.8-147.0 28.1 10.0 -5.8 5.7 97 175 A V S < S- 0 0 55 -3,-0.8 -6,-2.7 -6,-0.2 2,-0.1 -0.997 78.1-114.7-134.9 135.8 9.7 -8.1 8.7 98 176 A A B -D 90 0B 34 -2,-0.4 -8,-0.2 -8,-0.2 -2,-0.1 -0.425 22.5-123.5 -73.9 145.8 9.8 -11.9 8.6 99 177 A D - 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