==== 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 02-OCT-12 4HDL . 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) . 6538.0 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 . 7 9.9 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 . 7 9.9 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 . 0 1 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 0 153 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.5 35.0 19.6 20.2 2 2 A D - 0 0 150 1,-0.1 2,-0.0 15,-0.0 0, 0.0 -0.624 360.0-104.5 -97.9 155.4 31.3 19.1 19.8 3 3 A D - 0 0 95 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.287 38.4-131.2 -63.7 154.2 28.7 21.1 17.8 4 4 A I E -A 15 0A 106 11,-0.7 11,-1.6 2,-0.0 2,-0.4 -0.851 9.0-149.7-111.8 151.8 26.5 23.3 19.9 5 5 A V E -A 14 0A 71 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.989 13.8-139.0-114.9 130.5 22.7 23.6 19.9 6 6 A L E -A 13 0A 56 7,-2.7 7,-2.2 -2,-0.4 2,-2.1 -0.814 17.7-133.0 -89.4 124.8 21.1 27.0 20.8 7 7 A K + 0 0 154 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.308 33.9 174.6 -82.0 58.8 18.0 26.4 22.9 8 8 A A > - 0 0 32 -2,-2.1 3,-1.6 3,-0.3 -2,-0.0 -0.429 35.3-130.4 -60.9 134.4 15.6 28.7 21.1 9 9 A K T 3 S+ 0 0 205 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.824 106.3 54.5 -63.5 -32.9 12.2 28.2 22.7 10 10 A N T 3 S- 0 0 100 1,-0.3 -1,-0.3 61,-0.0 61,-0.2 0.575 132.5 -36.7 -74.3 -11.1 10.5 27.7 19.3 11 11 A G S < S- 0 0 2 -3,-1.6 -3,-0.3 59,-0.2 -1,-0.3 -0.431 71.3 -81.4 153.2 134.7 12.9 24.9 18.4 12 12 A D E - B 0 70A 48 58,-0.6 58,-2.3 57,-0.2 2,-0.5 -0.136 37.8-145.1 -49.5 141.9 16.6 23.9 18.9 13 13 A V E -AB 6 69A 24 -7,-2.2 -7,-2.7 56,-0.2 2,-0.2 -0.951 10.1-151.8-116.0 111.4 19.0 25.5 16.5 14 14 A K E -A 5 0A 156 54,-0.7 -9,-0.2 -2,-0.5 -11,-0.0 -0.592 5.4-162.7 -77.7 143.7 21.9 23.3 15.4 15 15 A L E -A 4 0A 72 -11,-1.6 2,-0.8 -2,-0.2 -11,-0.7 -0.888 8.6-160.6-125.5 91.1 25.2 24.9 14.4 16 16 A P > - 0 0 58 0, 0.0 4,-1.2 0, 0.0 3,-0.1 -0.670 3.1-166.1 -81.4 113.1 27.3 22.3 12.4 17 17 A H H > S+ 0 0 82 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.874 80.0 62.4 -68.8 -38.0 30.9 23.5 12.5 18 18 A K H > S+ 0 0 163 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 105.0 47.2 -54.0 -50.6 32.2 21.1 9.7 19 19 A A H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 114.5 48.1 -59.2 -37.5 29.9 22.7 7.1 20 20 A H H X S+ 0 0 62 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.901 107.9 52.3 -72.6 -41.8 30.9 26.2 8.2 21 21 A Q H < S+ 0 0 134 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 116.6 42.1 -57.9 -41.2 34.7 25.5 8.2 22 22 A K H < S+ 0 0 166 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.905 121.6 38.4 -71.5 -43.5 34.4 24.2 4.6 23 23 A A H < S+ 0 0 55 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.636 116.7 49.1 -87.9 -16.0 32.0 26.9 3.3 24 24 A V < + 0 0 26 -4,-2.4 -1,-0.2 -5,-0.1 5,-0.1 -0.664 55.9 167.1-127.6 73.5 33.4 29.9 5.1 25 25 A P + 0 0 109 0, 0.0 2,-1.8 0, 0.0 3,-0.1 0.714 65.2 84.6 -59.5 -21.3 37.3 29.9 4.6 26 26 A D > + 0 0 91 1,-0.2 3,-2.1 -3,-0.1 4,-0.2 -0.605 62.6 178.0 -79.3 80.7 37.3 33.5 5.9 27 27 A C G >> + 0 0 76 -2,-1.8 4,-2.9 1,-0.3 3,-1.9 0.735 67.8 74.3 -60.6 -25.6 37.4 32.2 9.5 28 28 A K G 34 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.538 73.8 81.3 -73.0 -5.6 37.6 35.8 10.8 29 29 A K G <4 S+ 0 0 126 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.794 120.6 5.2 -58.9 -29.5 33.9 36.2 10.0 30 30 A C T <4 S+ 0 0 91 -3,-1.9 3,-0.4 -4,-0.2 -2,-0.2 0.625 122.9 69.8-123.9 -32.1 33.5 34.4 13.4 31 31 A H S < S+ 0 0 109 -4,-2.9 3,-0.1 1,-0.2 -1,-0.0 -0.604 93.0 23.1-100.7 157.0 36.9 33.9 15.0 32 32 A E S S+ 0 0 162 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.782 80.0 157.9 59.5 30.7 39.3 36.5 16.5 33 33 A K - 0 0 104 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.475 47.7 -99.2 -76.9 155.2 36.4 38.9 17.2 34 34 A G > - 0 0 49 1,-0.2 3,-0.8 -2,-0.1 -1,-0.1 -0.057 57.8 -67.9 -63.1 175.9 37.0 41.5 19.8 35 35 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.298 112.1 51.0 -67.7 153.3 35.5 40.9 23.3 36 36 A G T 3> S+ 0 0 37 -3,-0.1 4,-2.2 5,-0.0 5,-0.1 0.261 70.8 108.5 107.6 -14.5 31.8 41.0 23.8 37 37 A K H <> S+ 0 0 91 -3,-0.8 4,-0.8 2,-0.2 -3,-0.0 0.802 80.4 49.8 -68.9 -26.2 30.7 38.5 21.0 38 38 A I H 4 S+ 0 0 151 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.947 118.5 38.4 -74.5 -47.6 29.7 35.7 23.5 39 39 A E H 4 S+ 0 0 177 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.849 114.3 58.7 -67.5 -31.6 27.6 38.1 25.6 40 40 A G H < S+ 0 0 50 -4,-2.2 5,-0.2 2,-0.0 -1,-0.2 0.690 79.5 102.3 -76.6 -23.3 26.3 39.9 22.5 41 41 A F < + 0 0 86 -4,-0.8 2,-0.3 -3,-0.5 3,-0.1 -0.280 42.6 117.1 -67.9 149.1 24.7 37.0 20.6 42 42 A G S > S- 0 0 32 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.958 75.5 -52.2 178.1-165.3 21.0 36.6 20.7 43 43 A K H > S+ 0 0 147 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.881 127.6 52.8 -61.6 -45.9 17.8 36.6 18.5 44 44 A E H > S+ 0 0 157 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.942 114.9 41.2 -56.2 -48.9 18.5 40.0 16.8 45 45 A M H 4>S+ 0 0 63 -5,-0.2 5,-2.3 2,-0.2 6,-0.8 0.906 114.1 53.4 -64.9 -42.9 22.1 38.9 15.8 46 46 A A H <5S+ 0 0 17 -4,-2.7 6,-2.5 4,-0.3 5,-0.5 0.892 112.7 42.5 -59.4 -43.4 20.9 35.4 14.8 47 47 A H H <5S+ 0 0 92 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.602 124.5 42.3 -83.1 -12.5 18.2 36.7 12.5 48 48 A G T ><>S- 0 0 27 -4,-0.8 5,-3.3 -3,-0.3 3,-1.5 0.087 130.1 -35.4-102.8-139.0 20.7 39.3 11.2 49 49 A K T 3 5S+ 0 0 164 1,-0.3 -3,-0.1 4,-0.3 5,-0.1 0.644 122.4 75.9 -67.5 -15.1 24.4 39.0 10.3 50 50 A G T 3 5S+ 0 0 37 -3,-1.5 4,-1.8 -6,-0.8 3,-0.5 0.296 136.7 40.2-142.1 -75.8 23.3 33.6 11.1 52 52 A K H >5S+ 0 0 82 -6,-2.5 4,-1.9 1,-0.2 -3,-0.2 0.845 112.6 55.8 -57.8 -42.1 20.5 34.4 8.6 53 53 A G H > S+ 0 0 37 -6,-0.6 4,-2.9 -3,-0.5 6,-0.3 0.921 109.3 53.6 -66.6 -39.1 25.4 35.7 6.3 55 55 A H H X>S+ 0 0 27 -4,-1.8 5,-1.2 1,-0.2 4,-0.6 0.888 111.5 45.8 -60.0 -37.3 23.4 33.0 4.6 56 56 A E H <5S+ 0 0 89 -4,-1.9 3,-0.4 2,-0.2 -1,-0.2 0.916 114.9 46.1 -71.4 -43.3 21.6 35.7 2.5 57 57 A E H <5S+ 0 0 141 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.895 116.7 43.0 -69.9 -42.3 24.8 37.5 1.7 58 58 A M H <5S- 0 0 90 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.526 106.5-127.2 -80.9 -3.1 26.8 34.4 0.7 59 59 A K T <5S+ 0 0 160 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.695 77.7 82.8 59.3 27.1 23.9 33.0 -1.2 60 60 A K < + 0 0 165 -5,-1.2 -2,-0.2 -6,-0.3 -1,-0.1 -0.981 57.5 55.8-157.9 146.6 23.9 29.7 0.7 61 61 A G S S- 0 0 40 -2,-0.3 2,-0.1 -3,-0.1 -2,-0.0 -0.260 88.1 -45.0 107.3 161.5 22.6 28.3 4.0 62 62 A P + 0 0 42 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 -0.343 46.6 164.7 -69.6 134.9 19.1 28.1 5.6 63 63 A T + 0 0 41 -8,-0.1 2,-0.3 -2,-0.1 -11,-0.0 0.378 51.5 87.3-124.6 -0.7 16.9 31.2 5.5 64 64 A K S >> S- 0 0 131 1,-0.1 3,-1.6 5,-0.0 4,-0.8 -0.776 81.9-117.6-104.6 148.1 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,-1.1 0.887 112.1 46.7 -48.0 -53.1 12.2 29.3 10.0 66 66 A G H 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.541 102.3 65.2 -75.5 -7.8 11.9 25.5 9.9 67 67 A E H <4 S+ 0 0 119 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.693 117.5 24.5 -83.9 -23.3 15.3 25.1 8.3 68 68 A C H << S+ 0 0 39 -3,-1.1 -54,-0.7 -4,-0.8 2,-0.4 0.787 117.5 62.4-102.6 -47.5 17.1 26.4 11.4 69 69 A H E < +B 13 0A 36 -4,-2.6 2,-0.3 -5,-0.2 -56,-0.2 -0.723 59.1 161.0 -86.7 128.3 14.6 25.7 14.2 70 70 A K E B 12 0A 144 -58,-2.3 -58,-0.6 -2,-0.4 -59,-0.2 -0.901 360.0 360.0-151.8 116.7 13.7 22.1 14.9 71 71 A K 0 0 215 -2,-0.3 -62,-0.0 -60,-0.2 -60,-0.0 -0.360 360.0 360.0 -65.2 360.0 12.1 20.6 18.1