==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-MAR-03 1OS6 . COMPND 2 MOLECULE: PPCA; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS; . AUTHOR P.R.POKKULURI,Y.Y.LONDER,N.E.C.DUKE,W.C.LONG,M.SCHIFFER . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 60.6 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 . 6 8.5 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 . 5 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 4.2 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 2 1 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 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 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 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 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 A 0 0 152 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.6 35.1 19.8 20.0 2 2 A D - 0 0 150 1,-0.1 0, 0.0 15,-0.0 0, 0.0 -0.544 360.0-102.5 -88.6 153.7 31.4 19.2 19.6 3 3 A D - 0 0 96 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.214 38.9-127.2 -62.4 162.9 28.8 21.2 17.7 4 4 A I E -A 15 0A 108 11,-0.9 11,-2.4 9,-0.0 2,-0.4 -0.881 9.2-149.2-120.2 148.9 26.5 23.4 19.7 5 5 A V E -A 14 0A 70 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.974 13.0-143.3-113.1 125.6 22.7 23.8 19.9 6 6 A L E -A 13 0A 59 7,-2.7 7,-2.4 -2,-0.4 2,-2.2 -0.820 18.7-134.6 -88.7 124.1 21.2 27.2 20.7 7 7 A K + 0 0 154 -2,-0.5 5,-0.1 5,-0.2 2,-0.1 -0.295 32.5 175.9 -87.1 61.8 18.1 26.5 22.8 8 8 A A > - 0 0 30 -2,-2.2 3,-1.6 3,-0.3 -2,-0.0 -0.429 35.1-128.4 -58.6 137.0 15.7 28.8 21.1 9 9 A K T 3 S+ 0 0 213 1,-0.3 3,-0.2 -2,-0.1 -1,-0.1 0.808 106.5 52.1 -63.2 -30.3 12.3 28.4 22.7 10 10 A N T 3 S- 0 0 100 1,-0.3 -1,-0.3 60,-0.0 61,-0.2 0.514 132.6 -31.4 -81.3 -7.4 10.5 27.9 19.3 11 11 A G S < S- 0 0 3 -3,-1.6 -3,-0.3 59,-0.1 -1,-0.3 -0.381 71.0 -86.5 154.7 132.4 12.9 25.1 18.4 12 12 A D - 0 0 46 58,-0.4 58,-2.3 57,-0.2 2,-0.6 -0.098 36.4-147.8 -51.1 141.7 16.5 24.1 18.9 13 13 A V E -AB 6 69A 24 -7,-2.4 -7,-2.7 56,-0.2 2,-0.2 -0.914 8.4-150.8-116.1 111.2 19.0 25.5 16.4 14 14 A K E -A 5 0A 147 54,-0.6 -9,-0.2 -2,-0.6 -11,-0.0 -0.527 2.7-157.8 -74.4 145.6 21.9 23.4 15.5 15 15 A F E -A 4 0A 64 -11,-2.4 -11,-0.9 -2,-0.2 2,-0.9 -0.932 7.8-160.8-119.8 101.6 25.2 25.0 14.5 16 16 A P > - 0 0 56 0, 0.0 4,-1.1 0, 0.0 3,-0.2 -0.758 4.1-168.8 -87.0 109.3 27.4 22.6 12.4 17 17 A H H > S+ 0 0 64 -2,-0.9 4,-2.7 1,-0.2 3,-0.4 0.873 78.1 60.3 -65.7 -42.5 31.0 23.7 12.5 18 18 A K H > S+ 0 0 162 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.910 104.8 50.4 -59.0 -40.9 32.5 21.5 9.8 19 19 A A H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.856 113.1 47.2 -64.9 -32.7 30.1 22.9 7.1 20 20 A H H X S+ 0 0 53 -4,-1.1 4,-2.1 -3,-0.4 -2,-0.2 0.920 107.9 53.3 -73.7 -42.6 31.1 26.4 8.2 21 21 A Q H < S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.917 116.0 42.8 -56.0 -42.0 34.9 25.8 8.2 22 22 A K H < S+ 0 0 173 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.890 121.5 36.6 -74.5 -41.3 34.6 24.4 4.7 23 23 A A H < S+ 0 0 56 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.670 118.3 48.4 -89.5 -13.1 32.3 27.1 3.2 24 24 A V < + 0 0 24 -4,-2.1 -1,-0.2 -5,-0.1 5,-0.2 -0.655 57.1 167.0-126.7 70.5 33.6 30.1 5.0 25 25 A P + 0 0 108 0, 0.0 2,-2.0 0, 0.0 3,-0.2 0.718 62.5 87.8 -63.9 -12.8 37.4 30.1 4.6 26 26 A D > + 0 0 90 1,-0.2 3,-2.4 -3,-0.1 4,-0.3 -0.598 61.4 178.6 -79.5 79.9 37.5 33.7 5.9 27 27 A C G >> + 0 0 78 -2,-2.0 4,-3.0 1,-0.3 3,-2.0 0.770 68.8 71.3 -60.5 -27.7 37.7 32.4 9.5 28 28 A K G 34 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.500 74.8 82.1 -71.3 -3.2 37.9 36.0 10.8 29 29 A K G <4 S+ 0 0 128 -3,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.810 120.6 4.0 -64.3 -27.7 34.2 36.4 9.9 30 30 A C T X4 S+ 0 0 90 -3,-2.0 3,-0.5 -4,-0.3 -2,-0.2 0.663 123.2 70.0-122.4 -29.7 33.7 34.6 13.2 31 31 A H T 3< S+ 0 0 107 -4,-3.0 3,-0.1 1,-0.2 -1,-0.0 -0.519 93.7 24.3 -99.7 158.3 37.1 34.1 14.9 32 32 A E T 3 S+ 0 0 162 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.748 78.4 155.5 58.9 26.0 39.4 36.7 16.4 33 33 A K < - 0 0 93 -3,-0.5 -1,-0.2 1,-0.1 3,-0.1 -0.377 48.8-104.4 -69.1 152.2 36.5 39.1 17.0 34 34 A G > - 0 0 53 1,-0.2 3,-0.8 -2,-0.1 -1,-0.1 -0.093 57.0 -58.5 -71.6-170.7 37.3 41.5 19.8 35 35 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.305 112.6 48.8 -68.2 150.4 35.7 41.1 23.2 36 36 A G T 3> S+ 0 0 36 -3,-0.1 4,-2.5 5,-0.0 5,-0.1 0.249 71.3 107.9 110.2 -10.0 31.9 41.1 23.7 37 37 A K H <> S+ 0 0 103 -3,-0.8 4,-1.0 2,-0.2 -3,-0.0 0.778 79.7 50.0 -75.8 -23.9 30.9 38.6 21.0 38 38 A I H 4 S+ 0 0 168 2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.934 118.3 38.5 -72.5 -46.8 29.9 35.9 23.4 39 39 A E H 4 S+ 0 0 176 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.873 113.8 59.2 -70.9 -31.9 27.8 38.2 25.5 40 40 A G H < S+ 0 0 48 -4,-2.5 5,-0.3 2,-0.0 -1,-0.2 0.726 79.7 101.3 -69.1 -25.3 26.5 40.0 22.4 41 41 A F < + 0 0 85 -4,-1.0 2,-0.3 -3,-0.3 3,-0.1 -0.230 42.9 113.5 -69.3 150.7 24.9 37.1 20.6 42 42 A G S > S- 0 0 32 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.949 77.9 -47.8 177.1-160.5 21.1 36.7 20.8 43 43 A K H > S+ 0 0 159 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.910 127.7 52.7 -64.8 -49.6 18.0 36.8 18.6 44 44 A E H > S+ 0 0 85 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.932 115.0 41.6 -51.7 -49.1 18.8 40.1 16.9 45 45 A M H 4>S+ 0 0 55 -5,-0.3 5,-2.4 2,-0.2 6,-0.9 0.901 112.9 53.7 -64.4 -40.6 22.2 39.0 15.8 46 46 A A H <5S+ 0 0 19 -4,-2.4 6,-2.6 1,-0.3 5,-0.3 0.885 113.4 41.8 -65.5 -37.8 21.1 35.5 14.8 47 47 A H H <5S+ 0 0 92 -4,-2.8 -1,-0.3 4,-0.2 -2,-0.2 0.608 124.7 43.6 -84.3 -10.5 18.4 36.9 12.5 48 48 A G T ><>S- 0 0 27 -4,-0.9 5,-2.9 -5,-0.3 3,-1.4 0.096 130.0 -36.1-105.8-143.0 20.9 39.5 11.3 49 49 A K T 3 5S+ 0 0 148 1,-0.2 -3,-0.1 4,-0.2 -4,-0.1 0.671 121.5 75.2 -68.3 -9.4 24.6 39.1 10.4 50 50 A G T 3 5S+ 0 0 37 -3,-1.4 4,-1.8 -6,-0.9 3,-0.4 0.289 135.6 38.5-140.2 -76.4 23.5 33.7 11.2 52 52 A K H >5S+ 0 0 81 -6,-2.6 4,-2.2 1,-0.2 -3,-0.2 0.850 112.4 56.1 -57.3 -43.1 20.7 34.4 8.7 53 53 A G H > S+ 0 0 41 -6,-0.6 4,-3.2 -3,-0.4 6,-0.3 0.951 109.5 50.7 -66.7 -46.0 25.4 35.8 6.3 55 55 A H H X>S+ 0 0 26 -4,-1.8 5,-1.4 2,-0.2 4,-0.6 0.909 112.3 49.0 -49.0 -42.4 23.5 33.0 4.6 56 56 A E H ><5S+ 0 0 101 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.921 115.3 43.1 -69.0 -43.2 21.6 35.8 2.7 57 57 A E H 3<5S+ 0 0 151 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.889 116.8 45.0 -65.8 -41.3 24.8 37.6 1.7 58 58 A M H 3<5S- 0 0 85 -4,-3.2 -1,-0.2 2,-0.3 -2,-0.2 0.482 105.3-128.2 -82.5 -6.3 26.8 34.4 0.8 59 59 A K T <<5S+ 0 0 181 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.741 79.7 85.5 60.3 33.9 23.8 33.1 -1.1 60 60 A K < + 0 0 168 -5,-1.4 -2,-0.3 -6,-0.3 -1,-0.1 -0.958 56.9 56.8-164.8 137.9 24.0 29.8 0.8 61 61 A G S S- 0 0 38 -2,-0.3 -2,-0.0 -3,-0.1 -10,-0.0 -0.088 88.5 -49.8 119.7 157.9 22.7 28.5 4.1 62 62 A P + 0 0 44 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 -0.234 47.8 166.3 -69.5 138.7 19.3 28.2 5.6 63 63 A T + 0 0 48 -8,-0.1 2,-0.3 -7,-0.0 -7,-0.0 0.475 49.1 87.7-130.1 -2.2 17.1 31.3 5.6 64 64 A K S >> S- 0 0 139 1,-0.1 3,-1.7 5,-0.0 4,-1.1 -0.768 82.2-116.6-106.3 153.5 13.6 29.9 6.5 65 65 A C H >> S+ 0 0 107 -2,-0.3 4,-2.7 1,-0.3 3,-1.1 0.899 112.5 45.7 -53.0 -52.1 12.3 29.6 10.0 66 66 A G H 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.542 102.6 65.2 -74.1 -4.8 12.0 25.7 9.9 67 67 A E H <4 S+ 0 0 118 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.761 116.3 27.1 -81.7 -29.2 15.4 25.2 8.3 68 68 A C H << S+ 0 0 37 -3,-1.1 -54,-0.6 -4,-1.1 2,-0.5 0.830 117.8 59.8 -93.8 -43.4 17.1 26.6 11.4 69 69 A H B < +B 13 0A 33 -4,-2.7 2,-0.3 -5,-0.2 -56,-0.2 -0.753 57.6 160.7 -96.0 126.2 14.7 25.8 14.1 70 70 A K 0 0 135 -58,-2.3 -58,-0.4 -2,-0.5 -59,-0.1 -0.919 360.0 360.0-146.2 116.7 13.7 22.2 14.8 71 71 A K 0 0 216 -2,-0.3 -1,-0.1 -60,-0.2 -59,-0.1 0.887 360.0 360.0 -64.5 360.0 12.1 20.9 18.0