==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 27-SEP-12 4HB8 . COMPND 2 MOLECULE: PPCA; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS; . AUTHOR P.R.POKKULURI,M.SCHIFFER . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 59.2 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 . 8 11.3 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 0.000 360.0 360.0 360.0 167.4 35.1 19.7 20.1 2 2 A D - 0 0 150 1,-0.1 2,-0.0 15,-0.0 0, 0.0 -0.570 360.0-102.9-101.8 157.8 31.4 19.2 19.6 3 3 A D - 0 0 97 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.259 39.9-133.3 -63.9 160.1 28.7 21.1 17.7 4 4 A I E -A 15 0A 84 11,-1.0 11,-2.0 2,-0.0 2,-0.4 -0.884 6.6-145.3-121.4 153.9 26.4 23.2 19.8 5 5 A V E -A 14 0A 66 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.985 13.5-141.2-114.8 129.0 22.6 23.6 19.9 6 6 A L E -A 13 0A 64 7,-2.8 7,-2.5 -2,-0.4 2,-2.1 -0.838 18.6-134.0 -89.6 123.5 21.1 27.1 20.6 7 7 A K + 0 0 153 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.348 33.4 174.2 -84.4 60.7 18.1 26.5 22.8 8 8 A A > - 0 0 32 -2,-2.1 3,-1.6 3,-0.3 -2,-0.0 -0.475 35.5-130.1 -63.2 132.5 15.6 28.8 21.1 9 9 A K T 3 S+ 0 0 208 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.808 106.4 55.1 -56.9 -35.3 12.1 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 0.587 132.6 -38.0 -74.6 -13.2 10.4 27.9 19.3 11 11 A G S < S- 0 0 4 -3,-1.6 -3,-0.3 59,-0.1 -1,-0.3 -0.439 71.4 -81.0 154.0 135.1 12.8 25.0 18.5 12 12 A D - 0 0 49 58,-0.3 58,-2.3 57,-0.2 2,-0.6 -0.158 37.9-146.5 -47.0 140.5 16.4 24.0 18.9 13 13 A V E -AB 6 69A 25 -7,-2.5 -7,-2.8 56,-0.2 2,-0.2 -0.952 9.7-149.7-116.1 112.9 18.9 25.5 16.4 14 14 A K E -A 5 0A 149 54,-0.7 -9,-0.2 -2,-0.6 -11,-0.0 -0.591 4.9-160.8 -77.1 143.5 21.8 23.3 15.4 15 15 A F E -A 4 0A 73 -11,-2.0 -11,-1.0 -2,-0.2 2,-0.7 -0.935 6.6-161.9-123.6 100.3 25.1 24.9 14.5 16 16 A P > - 0 0 56 0, 0.0 4,-1.0 0, 0.0 3,-0.1 -0.770 2.1-165.8 -85.7 114.2 27.3 22.4 12.5 17 17 A H H > S+ 0 0 68 -2,-0.7 4,-2.7 1,-0.2 3,-0.5 0.900 79.7 60.6 -68.2 -41.4 30.9 23.6 12.6 18 18 A K H > S+ 0 0 146 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.909 103.1 51.2 -55.5 -46.7 32.3 21.4 9.8 19 19 A A H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.865 113.6 47.1 -57.5 -36.8 30.0 22.8 7.1 20 20 A H H X S+ 0 0 54 -4,-1.0 4,-2.2 -3,-0.5 -2,-0.2 0.891 108.5 51.6 -73.9 -42.6 31.0 26.3 8.2 21 21 A Q H < S+ 0 0 127 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.887 117.1 42.6 -58.9 -37.8 34.8 25.6 8.3 22 22 A Q H < S+ 0 0 140 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.935 121.9 36.3 -75.9 -44.7 34.4 24.2 4.7 23 23 A A H < S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.628 118.8 48.4 -87.1 -14.9 32.1 26.9 3.2 24 24 A V < + 0 0 25 -4,-2.2 -1,-0.2 -5,-0.1 5,-0.2 -0.617 57.7 165.7-128.4 68.5 33.5 29.9 5.0 25 25 A P + 0 0 108 0, 0.0 2,-1.8 0, 0.0 3,-0.2 0.704 62.8 86.7 -59.8 -20.2 37.3 29.8 4.6 26 26 A D > + 0 0 89 1,-0.2 3,-2.0 -3,-0.1 4,-0.2 -0.620 62.2 178.5 -76.3 82.9 37.4 33.4 5.8 27 27 A C G >> + 0 0 74 -2,-1.8 4,-2.8 1,-0.3 3,-2.0 0.756 68.4 74.3 -62.0 -28.4 37.6 32.2 9.4 28 28 A K G 34 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.541 74.6 81.6 -69.1 -4.8 37.8 35.8 10.6 29 29 A K G <4 S+ 0 0 109 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.831 120.2 4.2 -59.0 -31.0 34.1 36.2 9.8 30 30 A C T <4 S+ 0 0 90 -3,-2.0 3,-0.4 -4,-0.2 -2,-0.2 0.649 122.6 69.3-124.5 -31.1 33.6 34.5 13.2 31 31 A H S < S+ 0 0 110 -4,-2.8 3,-0.1 1,-0.2 -1,-0.0 -0.625 93.5 25.4-101.9 158.1 37.0 34.0 14.9 32 32 A E S S+ 0 0 161 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.807 80.4 155.1 56.0 31.6 39.3 36.7 16.4 33 33 A K - 0 0 95 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.468 49.3-100.1 -76.0 154.4 36.4 38.9 16.9 34 34 A G > - 0 0 49 -2,-0.2 3,-0.8 1,-0.1 -1,-0.1 -0.121 55.1 -65.3 -72.7-178.8 37.0 41.4 19.6 35 35 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.193 111.2 49.1 -63.9 157.4 35.6 41.0 23.1 36 36 A G T 3> S+ 0 0 38 -3,-0.1 4,-2.2 5,-0.0 5,-0.1 0.261 71.9 109.7 102.9 -9.8 31.9 41.0 23.7 37 37 A K H <> S+ 0 0 107 -3,-0.8 4,-1.0 2,-0.2 -3,-0.0 0.756 78.4 49.9 -73.6 -27.3 30.8 38.6 21.0 38 38 A I H 4 S+ 0 0 165 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.945 118.3 39.2 -72.6 -47.1 29.8 35.8 23.4 39 39 A E H 4 S+ 0 0 178 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.853 114.2 58.4 -67.9 -32.7 27.7 38.1 25.6 40 40 A G H < S+ 0 0 49 -4,-2.2 5,-0.3 2,-0.0 -1,-0.2 0.711 78.9 103.1 -74.1 -26.6 26.4 39.9 22.5 41 41 A F < + 0 0 85 -4,-1.0 2,-0.3 -3,-0.5 3,-0.0 -0.295 42.6 119.2 -66.5 142.0 24.8 37.0 20.6 42 42 A G S > S- 0 0 31 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.937 75.6 -54.4-173.1-162.7 21.0 36.7 20.7 43 43 A K H > S+ 0 0 157 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.911 127.7 53.5 -62.2 -48.4 17.9 36.7 18.5 44 44 A E H > S+ 0 0 87 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.937 114.3 40.7 -48.0 -54.3 18.7 40.0 16.8 45 45 A M H 4>S+ 0 0 58 -5,-0.3 5,-2.4 2,-0.2 6,-0.8 0.907 114.5 54.0 -62.6 -41.8 22.2 38.9 15.8 46 46 A A H <5S+ 0 0 17 -4,-2.6 6,-2.7 4,-0.3 5,-0.4 0.878 112.2 41.6 -63.2 -43.0 21.0 35.4 14.8 47 47 A H H <5S+ 0 0 93 -4,-2.6 -1,-0.3 4,-0.2 -2,-0.2 0.575 125.2 44.6 -81.7 -11.1 18.3 36.7 12.5 48 48 A G T ><>S- 0 0 27 -4,-0.8 5,-3.1 -3,-0.3 3,-1.5 0.051 130.3 -37.1-102.5-141.0 20.9 39.3 11.3 49 49 A K T 3 5S+ 0 0 153 1,-0.3 -3,-0.1 4,-0.3 -4,-0.1 0.666 122.6 76.3 -67.8 -14.8 24.5 38.9 10.3 50 50 A G T 3 5S+ 0 0 33 -3,-1.5 4,-1.8 -6,-0.8 3,-0.7 0.285 136.5 40.4-141.0 -75.1 23.4 33.6 11.2 52 52 A K H 3>5S+ 0 0 81 -6,-2.7 4,-1.9 1,-0.3 -3,-0.2 0.843 111.7 56.4 -59.8 -43.9 20.6 34.3 8.7 53 53 A G H 3> S+ 0 0 39 -3,-0.7 4,-3.0 -6,-0.6 6,-0.3 0.915 107.8 53.7 -69.2 -40.7 25.4 35.6 6.3 55 55 A H H X>S+ 0 0 27 -4,-1.8 5,-1.4 1,-0.2 4,-0.8 0.892 111.6 46.5 -57.0 -39.5 23.4 32.9 4.6 56 56 A E H <5S+ 0 0 105 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.932 114.5 45.9 -71.0 -45.4 21.6 35.6 2.5 57 57 A E H <5S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.887 117.3 42.3 -64.6 -42.4 24.9 37.5 1.6 58 58 A M H <5S- 0 0 86 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.537 106.5-127.2 -84.6 -8.1 26.8 34.3 0.7 59 59 A K T <5S+ 0 0 179 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.756 78.5 82.9 68.3 29.3 23.8 32.9 -1.2 60 60 A K < + 0 0 167 -5,-1.4 -2,-0.2 -6,-0.3 -1,-0.1 -0.966 57.7 55.7-159.9 148.6 23.9 29.6 0.7 61 61 A G S S- 0 0 39 -2,-0.3 -2,-0.0 -3,-0.1 -10,-0.0 -0.144 89.4 -46.1 104.0 157.0 22.7 28.2 4.0 62 62 A P + 0 0 44 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 -0.249 46.9 165.3 -66.3 136.8 19.2 28.1 5.6 63 63 A T + 0 0 42 -8,-0.1 2,-0.3 -7,-0.0 3,-0.0 0.390 50.4 88.9-126.8 0.4 17.0 31.2 5.6 64 64 A K S >> S- 0 0 130 1,-0.1 3,-1.7 5,-0.0 4,-1.1 -0.780 80.9-118.0-104.9 147.6 13.5 29.8 6.5 65 65 A C H >> S+ 0 0 105 -2,-0.3 4,-2.6 1,-0.3 3,-1.0 0.895 112.8 45.2 -46.5 -54.8 12.2 29.5 10.0 66 66 A G H 34 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.490 102.9 64.9 -77.2 -4.9 11.9 25.7 9.9 67 67 A E H <4 S+ 0 0 118 -3,-1.7 -1,-0.3 1,-0.0 -2,-0.2 0.743 117.4 25.7 -84.7 -29.0 15.3 25.1 8.3 68 68 A C H << S+ 0 0 36 -4,-1.1 -54,-0.7 -3,-1.0 2,-0.5 0.837 119.0 59.8 -94.0 -46.4 17.1 26.5 11.4 69 69 A H B < +B 13 0A 34 -4,-2.6 2,-0.3 -5,-0.2 -56,-0.2 -0.770 60.5 157.5 -91.6 124.7 14.6 25.8 14.1 70 70 A K 0 0 135 -58,-2.3 -58,-0.3 -2,-0.5 -59,-0.1 -0.906 360.0 360.0-151.9 119.1 13.5 22.2 14.7 71 71 A K 0 0 215 -2,-0.3 -1,-0.1 -61,-0.2 -60,-0.1 0.884 360.0 360.0 -66.8 360.0 12.1 20.6 17.9