==== 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 28-SEP-12 4HC3 . 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) . 6480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 62.0 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 . 10 14.1 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 0 155 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.9 35.1 19.8 20.1 2 2 A D - 0 0 150 1,-0.1 0, 0.0 15,-0.0 0, 0.0 -0.671 360.0-102.7-103.4 154.7 31.4 19.3 19.6 3 3 A D - 0 0 82 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.244 38.9-131.6 -62.6 157.9 28.8 21.2 17.7 4 4 A I E -A 15 0A 103 11,-1.0 11,-2.4 9,-0.0 2,-0.4 -0.892 8.8-150.6-118.2 151.9 26.5 23.4 19.8 5 5 A V E -A 14 0A 66 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.982 14.4-140.5-114.9 128.3 22.8 23.8 19.8 6 6 A L E -A 13 0A 62 7,-2.7 7,-2.3 -2,-0.4 2,-1.6 -0.818 17.9-131.0 -87.8 131.1 21.2 27.1 20.8 7 7 A K + 0 0 157 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.308 35.0 173.6 -85.5 58.3 18.1 26.7 22.9 8 8 A A > - 0 0 30 -2,-1.6 3,-1.8 3,-0.3 -2,-0.0 -0.411 36.4-129.2 -60.3 131.8 15.7 28.9 21.1 9 9 A K T 3 S+ 0 0 215 1,-0.3 3,-0.2 -2,-0.1 -1,-0.1 0.834 106.1 54.6 -54.2 -37.1 12.2 28.5 22.7 10 10 A N T 3 S- 0 0 100 1,-0.3 -1,-0.3 60,-0.0 61,-0.2 0.508 132.0 -35.4 -78.7 -6.6 10.6 27.9 19.3 11 11 A G S < S- 0 0 4 -3,-1.8 -3,-0.3 59,-0.1 -1,-0.3 -0.330 71.8 -83.6 148.9 129.7 13.0 25.1 18.4 12 12 A D - 0 0 52 58,-0.3 58,-2.3 57,-0.2 2,-0.6 -0.140 37.0-148.0 -47.9 138.0 16.7 24.1 18.9 13 13 A T E -AB 6 69A 24 -7,-2.3 -7,-2.7 56,-0.2 2,-0.2 -0.930 10.2-151.8-116.2 109.2 19.1 25.7 16.4 14 14 A K E -A 5 0A 153 -2,-0.6 -9,-0.2 54,-0.5 -11,-0.0 -0.539 3.1-156.3 -78.8 142.7 22.1 23.5 15.6 15 15 A F E -A 4 0A 70 -11,-2.4 -11,-1.0 -2,-0.2 2,-0.8 -0.936 8.7-159.9-117.4 100.1 25.4 25.1 14.5 16 16 A P > - 0 0 53 0, 0.0 4,-1.1 0, 0.0 3,-0.1 -0.748 3.6-167.4 -85.4 110.0 27.4 22.6 12.5 17 17 A H H >> S+ 0 0 69 -2,-0.8 4,-2.7 1,-0.2 3,-0.6 0.896 78.5 59.8 -66.4 -43.8 31.0 23.7 12.6 18 18 A K H 3> S+ 0 0 181 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.908 105.1 49.9 -53.4 -45.7 32.5 21.4 9.8 19 19 A A H 3> S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.849 113.4 47.4 -60.6 -36.6 30.2 22.9 7.1 20 20 A H H + 0 0 94 1,-0.2 3,-2.0 -3,-0.1 4,-0.2 -0.579 61.1 179.3 -73.8 83.8 37.5 33.4 5.8 27 27 A C G >> + 0 0 77 -2,-1.8 4,-2.8 1,-0.3 3,-2.0 0.763 69.1 72.7 -61.8 -30.3 37.8 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 0.534 75.1 81.8 -68.7 -6.6 38.0 36.0 10.7 29 29 A K G <4 S+ 0 0 108 -3,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.806 120.4 4.4 -58.6 -30.5 34.2 36.3 9.8 30 30 A C T <4 S+ 0 0 91 -3,-2.0 3,-0.4 -4,-0.2 -2,-0.2 0.634 122.5 69.7-124.7 -28.4 33.7 34.7 13.2 31 31 A H S < S+ 0 0 110 -4,-2.8 3,-0.1 1,-0.2 -1,-0.0 -0.595 92.3 24.7-101.9 160.7 37.1 34.2 14.9 32 32 A E S S+ 0 0 164 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.838 80.4 154.2 54.4 35.7 39.5 36.8 16.4 33 33 A K - 0 0 94 -3,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.489 50.7 -95.6 -79.9 161.5 36.7 39.2 17.0 34 34 A G > - 0 0 49 1,-0.2 3,-0.8 -2,-0.2 -1,-0.2 -0.159 57.9 -69.7 -67.2 174.9 37.2 41.8 19.7 35 35 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.191 110.2 54.2 -63.2 154.5 35.7 41.1 23.1 36 36 A G T 3> + 0 0 36 -3,-0.1 4,-2.4 5,-0.0 5,-0.1 0.207 68.8 108.4 111.3 -14.6 32.0 41.2 23.6 37 37 A K H <> S+ 0 0 107 -3,-0.8 4,-0.8 2,-0.2 -3,-0.0 0.800 79.8 49.5 -73.1 -27.6 30.9 38.7 21.0 38 38 A I H >4 S+ 0 0 164 2,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.947 118.6 38.6 -70.1 -48.7 29.9 35.9 23.5 39 39 A E H 34 S+ 0 0 176 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.837 113.9 58.8 -68.5 -29.8 27.8 38.3 25.6 40 40 A G H 3< S+ 0 0 52 -4,-2.4 5,-0.2 2,-0.0 -1,-0.2 0.643 79.1 104.2 -79.7 -20.4 26.5 40.1 22.5 41 41 A F << + 0 0 82 -4,-0.8 2,-0.3 -3,-0.6 3,-0.1 -0.345 41.6 118.3 -71.3 146.4 24.9 37.2 20.7 42 42 A G S > S- 0 0 31 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.953 74.9 -54.4-178.0-164.0 21.1 36.9 20.7 43 43 A K H > S+ 0 0 155 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.928 127.8 52.9 -62.5 -47.0 18.0 36.8 18.5 44 44 A E H > S+ 0 0 86 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.917 114.6 40.9 -55.1 -50.2 18.8 40.1 16.9 45 45 A M H >4>S+ 0 0 55 -5,-0.2 5,-2.0 1,-0.2 6,-0.8 0.921 113.7 54.8 -61.6 -45.0 22.3 39.1 15.8 46 46 A A H 3<5S+ 0 0 17 -4,-3.0 6,-2.5 1,-0.3 5,-0.3 0.854 111.1 43.0 -59.5 -38.4 21.1 35.6 14.8 47 47 A H H 3<5S+ 0 0 88 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.584 124.0 42.6 -86.4 -11.7 18.4 36.9 12.5 48 48 A G T X<>S- 0 0 27 -3,-0.7 5,-2.7 -4,-0.7 3,-1.7 0.013 130.2 -35.0-104.0-138.9 21.0 39.4 11.2 49 49 A K T 3 5S+ 0 0 148 1,-0.3 -3,-0.1 4,-0.3 -4,-0.1 0.638 122.4 76.3 -66.9 -15.5 24.7 39.1 10.4 50 50 A G T 3 5S+ 0 0 38 -3,-1.7 4,-1.9 -6,-0.8 3,-0.6 0.263 135.8 40.8-143.6 -74.5 23.5 33.7 11.2 52 52 A K H 3>5S+ 0 0 80 -6,-2.5 4,-1.9 1,-0.3 -3,-0.2 0.859 111.5 55.7 -63.0 -46.4 20.7 34.5 8.7 53 53 A G H 3> S+ 0 0 34 -6,-0.6 4,-3.2 -3,-0.6 6,-0.3 0.939 108.1 52.9 -67.8 -45.0 25.4 35.8 6.3 55 55 A H H X>S+ 0 0 28 -4,-1.9 5,-1.1 1,-0.2 4,-0.6 0.882 112.5 46.0 -52.7 -40.4 23.4 33.0 4.6 56 56 A E H <5S+ 0 0 105 -4,-1.9 3,-0.4 2,-0.2 -1,-0.2 0.928 115.1 45.8 -71.8 -43.4 21.6 35.7 2.6 57 57 A E H <5S+ 0 0 141 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.3 43.7 -67.6 -42.8 24.8 37.6 1.7 58 58 A M H <5S- 0 0 86 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.497 106.0-127.1 -83.8 -4.6 26.8 34.4 0.8 59 59 A K T <5S+ 0 0 189 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.685 79.7 83.7 66.0 22.9 23.9 33.0 -1.2 60 60 A K < + 0 0 167 -5,-1.1 -2,-0.2 -6,-0.3 -1,-0.1 -0.983 58.1 54.3-154.5 147.7 24.0 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 -0.214 89.3 -46.7 108.4 158.4 22.7 28.4 4.1 62 62 A P + 0 0 45 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 -0.299 47.9 164.8 -64.7 132.5 19.2 28.2 5.7 63 63 A T + 0 0 40 -8,-0.1 2,-0.3 -2,-0.1 3,-0.0 0.350 50.3 88.9-123.9 1.4 17.1 31.3 5.6 64 64 A K S >> S- 0 0 134 1,-0.1 3,-1.5 -12,-0.0 4,-1.1 -0.806 81.1-119.4-103.8 148.6 13.6 29.9 6.5 65 65 A C H >> S+ 0 0 108 -2,-0.3 4,-2.8 1,-0.3 3,-0.9 0.894 111.9 46.1 -49.1 -55.6 12.3 29.6 10.1 66 66 A G H 34 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.497 104.0 63.7 -72.8 -6.3 11.9 25.8 10.0 67 67 A E H <4 S+ 0 0 99 -3,-1.5 -1,-0.2 1,-0.0 -2,-0.2 0.784 117.1 25.8 -84.3 -31.5 15.3 25.2 8.4 68 68 A C H << S+ 0 0 33 -4,-1.1 -54,-0.5 -3,-0.9 2,-0.5 0.844 117.0 64.1 -94.0 -44.3 17.2 26.6 11.4 69 69 A H B < +B 13 0A 36 -4,-2.8 2,-0.3 -5,-0.2 -56,-0.2 -0.774 61.7 167.4 -91.0 119.1 14.6 25.9 14.2 70 70 A K 0 0 121 -58,-2.3 -58,-0.3 -2,-0.5 -59,-0.1 -0.900 360.0 360.0-133.3 102.7 13.9 22.3 14.8 71 71 A K 0 0 243 -2,-0.3 -1,-0.1 -61,-0.2 -60,-0.1 0.885 360.0 360.0 -59.3 360.0 12.0 20.7 17.8