==== 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 4HB6 . 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) . 6435.0 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 0.000 360.0 360.0 360.0 164.0 35.1 19.9 20.1 2 2 A D - 0 0 150 1,-0.1 2,-0.0 15,-0.0 0, 0.0 -0.554 360.0-104.2 -94.2 155.4 31.4 19.3 19.7 3 3 A D - 0 0 96 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.291 39.7-133.2 -64.0 158.9 28.8 21.2 17.7 4 4 A I E -A 15 0A 103 11,-1.0 11,-2.3 9,-0.0 2,-0.4 -0.880 7.2-145.7-120.2 155.4 26.5 23.3 19.8 5 5 A V E -A 14 0A 71 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.988 13.0-140.6-118.3 129.0 22.8 23.8 19.9 6 6 A L E -A 13 0A 57 7,-2.7 7,-2.3 -2,-0.4 2,-2.2 -0.823 19.6-133.7 -90.1 121.9 21.2 27.1 20.7 7 7 A K + 0 0 159 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.367 33.0 176.2 -81.9 65.2 18.1 26.5 22.9 8 8 A A > - 0 0 31 -2,-2.2 3,-1.6 3,-0.3 -2,-0.0 -0.489 34.8-129.4 -68.7 133.1 15.7 28.8 21.1 9 9 A K T 3 S+ 0 0 215 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.820 107.5 52.5 -55.1 -35.6 12.2 28.5 22.7 10 10 A N T 3 S- 0 0 97 1,-0.3 -1,-0.3 60,-0.0 61,-0.2 0.602 132.5 -35.5 -77.6 -13.6 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 -0.473 70.8 -82.2 155.4 135.2 12.9 25.1 18.4 12 12 A D - 0 0 49 58,-0.4 58,-2.2 57,-0.2 2,-0.6 -0.153 37.2-147.3 -48.0 139.3 16.6 24.0 18.9 13 13 A V E -AB 6 69A 23 -7,-2.3 -7,-2.7 56,-0.2 2,-0.2 -0.947 9.8-150.9-115.7 110.9 19.0 25.6 16.4 14 14 A K E -A 5 0A 151 54,-0.6 -9,-0.2 -2,-0.6 -11,-0.0 -0.587 3.5-158.9 -76.7 142.6 21.9 23.3 15.5 15 15 A F E -A 4 0A 71 -11,-2.3 -11,-1.0 -2,-0.2 2,-0.8 -0.921 6.2-161.1-122.3 101.4 25.2 24.9 14.5 16 16 A P > - 0 0 55 0, 0.0 4,-1.1 0, 0.0 3,-0.1 -0.742 3.3-167.9 -86.7 112.0 27.4 22.5 12.5 17 17 A H H >> S+ 0 0 69 -2,-0.8 4,-2.5 1,-0.2 3,-0.5 0.910 78.9 60.8 -68.0 -44.3 31.0 23.7 12.6 18 18 A K H 3> S+ 0 0 147 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.884 103.6 50.2 -52.9 -45.4 32.4 21.5 9.9 19 19 A A H 3> S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.866 112.6 48.7 -61.6 -35.3 30.1 22.9 7.2 20 20 A H H + 0 0 91 1,-0.2 3,-2.0 -3,-0.1 4,-0.2 -0.576 62.0 179.0 -73.9 83.4 37.5 33.5 5.8 27 27 A C G >> + 0 0 74 -2,-2.0 4,-2.8 1,-0.3 3,-2.0 0.755 69.0 73.6 -62.6 -28.4 37.7 32.3 9.5 28 28 A K G 34 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.531 74.9 82.5 -70.5 -2.2 37.9 35.9 10.7 29 29 A K G <4 S+ 0 0 129 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.833 119.5 3.9 -60.1 -32.8 34.2 36.2 9.9 30 30 A C T <4 S+ 0 0 93 -3,-2.0 3,-0.4 -4,-0.2 2,-0.2 0.617 122.8 70.6-123.9 -27.4 33.7 34.5 13.3 31 31 A H S < S+ 0 0 109 -4,-2.8 3,-0.1 1,-0.2 -1,-0.0 -0.647 91.9 23.9-102.8 156.8 37.0 34.1 14.9 32 32 A E S S+ 0 0 162 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.780 80.3 156.3 60.0 32.2 39.4 36.7 16.5 33 33 A K - 0 0 93 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.474 49.8 -95.3 -79.9 156.8 36.6 39.1 17.0 34 34 A G > - 0 0 48 1,-0.2 3,-0.8 -2,-0.1 -1,-0.1 -0.066 58.5 -71.8 -62.2 174.9 37.0 41.7 19.7 35 35 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.221 110.9 53.6 -69.3 159.1 35.7 41.1 23.1 36 36 A G T 3> S+ 0 0 37 -3,-0.1 4,-2.1 5,-0.0 5,-0.1 0.270 70.1 109.4 104.9 -11.5 31.9 41.1 23.7 37 37 A K H <> S+ 0 0 100 -3,-0.8 4,-0.9 2,-0.2 -3,-0.0 0.779 79.3 49.3 -74.1 -27.4 30.9 38.6 21.0 38 38 A I H 4 S+ 0 0 167 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.929 117.9 40.0 -72.5 -44.5 29.9 35.9 23.4 39 39 A E H 4 S+ 0 0 179 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.815 113.0 59.2 -73.0 -27.7 27.8 38.3 25.5 40 40 A G H < S+ 0 0 47 -4,-2.1 5,-0.2 2,-0.0 -1,-0.2 0.739 77.5 103.5 -77.3 -25.5 26.5 40.0 22.4 41 41 A F < + 0 0 85 -4,-0.9 2,-0.3 -3,-0.4 3,-0.1 -0.229 42.6 122.1 -65.9 143.9 24.9 37.1 20.6 42 42 A G S > S- 0 0 31 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.948 74.6 -58.4-174.6-166.3 21.1 36.8 20.7 43 43 A K H > S+ 0 0 152 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.927 128.3 52.7 -62.5 -50.0 18.0 36.7 18.5 44 44 A E H > S+ 0 0 83 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.925 114.2 42.3 -50.2 -50.2 18.7 40.0 16.8 45 45 A M H >4>S+ 0 0 56 -5,-0.2 5,-2.3 2,-0.2 6,-0.9 0.935 114.0 52.9 -62.7 -44.5 22.3 38.9 15.9 46 46 A A H 3<5S+ 0 0 19 -4,-2.7 6,-2.7 1,-0.3 5,-0.4 0.890 113.0 41.9 -59.2 -42.4 21.1 35.4 14.8 47 47 A H H 3<5S+ 0 0 92 -4,-2.7 -1,-0.3 4,-0.2 -2,-0.2 0.546 124.7 43.4 -83.9 -9.3 18.4 36.8 12.5 48 48 A G T X<>S- 0 0 27 -4,-0.7 5,-3.1 -3,-0.7 3,-1.5 -0.003 130.3 -36.0-106.7-140.5 20.9 39.4 11.3 49 49 A K T 3 5S+ 0 0 144 1,-0.3 -3,-0.1 4,-0.3 5,-0.1 0.647 122.4 75.5 -67.3 -13.1 24.6 39.0 10.4 50 50 A G T 3 5S+ 0 0 35 -3,-1.5 4,-1.8 -6,-0.9 3,-0.5 0.278 136.2 39.8-141.1 -78.2 23.5 33.7 11.2 52 52 A K H >5S+ 0 0 80 -6,-2.7 4,-2.1 1,-0.2 -3,-0.2 0.852 111.8 55.8 -57.9 -46.0 20.7 34.4 8.7 53 53 A G H > S+ 0 0 39 -6,-0.6 4,-3.1 -3,-0.5 6,-0.3 0.936 109.0 52.9 -65.8 -40.9 25.5 35.8 6.3 55 55 A H H X>S+ 0 0 26 -4,-1.8 5,-1.4 1,-0.2 4,-0.7 0.903 112.4 45.8 -56.5 -40.3 23.5 33.0 4.6 56 56 A E H ><5S+ 0 0 100 -4,-2.1 3,-0.5 2,-0.2 -2,-0.2 0.934 114.7 46.5 -69.6 -44.6 21.7 35.7 2.6 57 57 A E H 3<5S+ 0 0 163 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.890 116.9 42.6 -66.9 -39.9 24.9 37.6 1.8 58 58 A M H 3<5S- 0 0 94 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.466 106.3-126.4 -87.4 -5.3 26.8 34.4 0.7 59 59 A K T <<5S+ 0 0 179 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.736 79.6 82.4 65.6 28.9 23.8 33.0 -1.2 60 60 A K < + 0 0 164 -5,-1.4 -2,-0.2 -6,-0.3 -1,-0.1 -0.966 57.7 56.7-160.3 147.1 23.9 29.7 0.7 61 61 A G S S- 0 0 39 -2,-0.3 2,-0.1 -3,-0.1 -2,-0.0 -0.253 89.1 -47.3 108.3 157.9 22.7 28.4 4.1 62 62 A P + 0 0 43 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 -0.336 48.3 165.1 -66.9 133.0 19.3 28.1 5.7 63 63 A T + 0 0 49 -8,-0.1 2,-0.3 -2,-0.1 3,-0.0 0.375 50.0 87.3-125.2 -0.0 17.1 31.3 5.6 64 64 A K S >> S- 0 0 135 1,-0.1 3,-1.5 5,-0.0 4,-0.9 -0.785 82.1-117.3-104.9 150.9 13.6 29.9 6.5 65 65 A C H >> S+ 0 0 106 -2,-0.3 4,-2.7 1,-0.3 3,-1.1 0.894 112.8 46.1 -49.8 -52.5 12.4 29.5 10.1 66 66 A G H 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.516 103.0 64.1 -77.2 -7.7 12.0 25.7 9.9 67 67 A E H <4 S+ 0 0 117 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.683 117.6 25.8 -82.7 -26.3 15.4 25.2 8.3 68 68 A C H << S+ 0 0 38 -3,-1.1 -54,-0.6 -4,-0.9 2,-0.5 0.802 117.8 60.8 -98.6 -46.0 17.2 26.5 11.4 69 69 A H B < +B 13 0A 33 -4,-2.7 2,-0.3 -5,-0.2 -56,-0.2 -0.775 60.3 160.7 -91.3 127.6 14.7 25.8 14.2 70 70 A K 0 0 139 -58,-2.2 -58,-0.4 -2,-0.5 -59,-0.1 -0.918 360.0 360.0-151.8 119.1 13.7 22.2 14.8 71 71 A K 0 0 217 -2,-0.3 -1,-0.1 -60,-0.2 -60,-0.1 0.865 360.0 360.0 -72.1 360.0 12.1 20.6 17.9