==== 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 26-SEP-12 4HAJ . 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) . 6567.0 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 0 153 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.7 35.1 19.6 20.1 2 2 A D - 0 0 151 1,-0.1 2,-0.0 15,-0.0 0, 0.0 -0.529 360.0-106.8 -94.1 156.3 31.3 19.2 19.6 3 3 A D - 0 0 92 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.256 38.4-131.9 -66.3 160.4 28.7 21.1 17.7 4 4 A I E -A 15 0A 99 11,-0.9 11,-1.9 9,-0.0 2,-0.4 -0.861 7.6-146.3-120.0 156.9 26.4 23.2 19.8 5 5 A V E -A 14 0A 67 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.984 13.7-140.4-117.0 133.7 22.6 23.6 19.8 6 6 A L E -A 13 0A 64 7,-2.7 7,-2.3 -2,-0.4 2,-2.1 -0.847 19.1-133.4 -95.1 124.7 21.1 27.0 20.7 7 7 A K + 0 0 159 -2,-0.6 5,-0.2 5,-0.2 2,-0.1 -0.345 33.3 175.7 -84.6 63.1 18.0 26.3 22.9 8 8 A A > - 0 0 31 -2,-2.1 3,-1.5 3,-0.4 -2,-0.0 -0.438 35.6-128.7 -65.2 132.0 15.5 28.6 21.1 9 9 A E T 3 S+ 0 0 194 1,-0.3 3,-0.2 -2,-0.1 -1,-0.1 0.866 107.8 53.0 -46.7 -46.0 12.0 28.3 22.7 10 10 A N T 3 S- 0 0 98 1,-0.3 -1,-0.3 60,-0.0 61,-0.2 0.626 132.2 -36.5 -71.9 -14.9 10.4 27.7 19.2 11 11 A G S < S- 0 0 2 -3,-1.5 -3,-0.4 59,-0.1 -1,-0.3 -0.517 71.1 -81.7 157.3 136.4 12.8 24.9 18.4 12 12 A D - 0 0 49 58,-0.5 58,-2.2 57,-0.2 2,-0.6 -0.168 37.7-145.8 -47.9 140.9 16.4 23.8 18.9 13 13 A V E -AB 6 69A 25 -7,-2.3 -7,-2.7 56,-0.2 2,-0.2 -0.937 9.9-150.9-115.4 110.1 18.9 25.4 16.4 14 14 A K E -A 5 0A 160 54,-0.6 -9,-0.2 -2,-0.6 -11,-0.0 -0.508 3.8-159.9 -73.2 142.2 21.9 23.2 15.4 15 15 A F E -A 4 0A 70 -11,-1.9 -11,-0.9 -2,-0.2 2,-0.7 -0.909 6.8-161.9-123.8 99.2 25.1 24.8 14.5 16 16 A P > - 0 0 56 0, 0.0 4,-1.0 0, 0.0 3,-0.1 -0.739 3.3-168.2 -86.5 111.7 27.2 22.4 12.4 17 17 A H H >> S+ 0 0 67 -2,-0.7 4,-2.6 1,-0.2 3,-0.5 0.903 78.5 62.4 -70.1 -39.8 30.8 23.6 12.5 18 18 A K H 3> S+ 0 0 173 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.906 103.8 49.1 -53.7 -45.5 32.3 21.3 9.8 19 19 A A H 3> S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.851 113.0 48.8 -62.1 -34.7 30.0 22.8 7.1 20 20 A H H + 0 0 91 1,-0.2 3,-2.2 -3,-0.1 4,-0.2 -0.603 62.2 179.0 -76.8 81.1 37.3 33.6 5.8 27 27 A C G >> + 0 0 74 -2,-1.9 4,-2.7 1,-0.3 3,-2.0 0.782 68.9 74.0 -58.7 -29.7 37.6 32.4 9.4 28 28 A K G 34 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.528 73.9 82.7 -69.2 -3.2 37.7 35.9 10.7 29 29 A K G <4 S+ 0 0 114 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.848 119.7 3.6 -62.3 -31.3 34.0 36.2 9.9 30 30 A C T <4 S+ 0 0 92 -3,-2.0 3,-0.4 -4,-0.2 -2,-0.2 0.623 122.0 73.2-123.2 -29.3 33.5 34.5 13.3 31 31 A H S < S+ 0 0 109 -4,-2.7 3,-0.1 1,-0.2 -1,-0.0 -0.586 91.1 20.9-101.6 157.7 36.9 34.1 14.9 32 32 A E S S+ 0 0 161 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.746 78.1 155.9 56.8 28.3 39.3 36.6 16.6 33 33 A K - 0 0 95 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.423 50.1-101.3 -72.2 156.3 36.6 39.1 17.1 34 34 A G > - 0 0 50 1,-0.2 3,-0.7 -2,-0.1 -1,-0.1 -0.164 60.0 -63.4 -68.5 179.0 37.3 41.5 19.9 35 35 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.192 110.1 55.3 -69.1 155.4 35.6 40.8 23.2 36 36 A G T 3> + 0 0 37 -3,-0.1 4,-2.1 5,-0.0 5,-0.1 0.270 68.2 107.1 113.5 -10.1 31.8 40.9 23.7 37 37 A K H <> S+ 0 0 109 -3,-0.7 4,-1.0 2,-0.2 -3,-0.0 0.738 80.8 49.9 -74.6 -25.5 30.7 38.4 21.0 38 38 A I H 4 S+ 0 0 166 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.894 118.3 38.8 -75.5 -44.0 29.8 35.7 23.5 39 39 A E H 4 S+ 0 0 177 1,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.854 115.1 57.3 -71.5 -33.2 27.7 38.1 25.6 40 40 A G H < S+ 0 0 48 -4,-2.1 5,-0.2 2,-0.0 -1,-0.2 0.750 79.3 102.4 -73.6 -29.8 26.4 39.8 22.5 41 41 A F < + 0 0 91 -4,-1.0 2,-0.3 -5,-0.1 3,-0.1 -0.244 43.4 115.7 -62.8 143.9 24.8 36.9 20.6 42 42 A G S > S- 0 0 32 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.949 76.1 -50.6-176.7-159.3 21.0 36.6 20.7 43 43 A K H > S+ 0 0 157 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.921 127.8 51.5 -62.6 -49.7 17.9 36.6 18.5 44 44 A E H > S+ 0 0 173 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.917 115.2 41.8 -52.5 -49.2 18.6 39.9 16.8 45 45 A M H >4>S+ 0 0 61 -5,-0.2 5,-2.2 2,-0.2 6,-0.8 0.922 114.0 53.3 -64.1 -42.7 22.1 38.9 15.8 46 46 A A H 3<5S+ 0 0 18 -4,-2.7 6,-2.6 4,-0.3 5,-0.4 0.873 112.2 43.0 -61.1 -41.5 20.9 35.4 14.8 47 47 A H H 3<5S+ 0 0 88 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.587 124.7 40.8 -83.9 -10.9 18.2 36.7 12.5 48 48 A G T X<>S- 0 0 27 -4,-0.8 5,-3.3 -3,-0.5 3,-1.5 0.078 130.6 -33.2-105.7-136.3 20.8 39.3 11.2 49 49 A K T 3 5S+ 0 0 140 1,-0.3 -3,-0.1 4,-0.3 5,-0.1 0.670 122.0 75.3 -70.6 -14.6 24.5 38.9 10.4 50 50 A G T 3 5S+ 0 0 35 -3,-1.5 4,-1.8 -6,-0.8 3,-0.5 0.260 136.2 39.9-143.2 -76.0 23.3 33.6 11.1 52 52 A K H >5S+ 0 0 82 -6,-2.6 4,-2.0 1,-0.3 -3,-0.2 0.840 112.9 55.5 -60.6 -42.6 20.5 34.3 8.7 53 53 A G H > S+ 0 0 33 -6,-0.6 4,-2.9 -3,-0.5 6,-0.3 0.927 108.5 54.3 -66.6 -39.1 25.3 35.7 6.4 55 55 A H H X>S+ 0 0 27 -4,-1.8 5,-1.4 1,-0.2 4,-0.7 0.898 111.2 46.3 -59.9 -38.8 23.3 33.0 4.6 56 56 A E H <5S+ 0 0 102 -4,-2.0 3,-0.4 2,-0.2 -1,-0.2 0.922 114.3 45.8 -68.0 -45.7 21.5 35.7 2.6 57 57 A E H <5S+ 0 0 137 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.887 117.0 43.7 -66.6 -40.6 24.7 37.6 1.7 58 58 A M H <5S- 0 0 89 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.519 105.4-128.0 -84.1 -7.2 26.6 34.4 0.8 59 59 A K T <5S+ 0 0 186 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.731 78.8 83.7 64.4 27.4 23.7 33.0 -1.2 60 60 A K < + 0 0 167 -5,-1.4 -2,-0.2 -6,-0.3 -1,-0.1 -0.968 58.0 52.8-158.1 146.4 23.8 29.7 0.7 61 61 A G S S- 0 0 40 -2,-0.3 2,-0.0 -3,-0.1 -2,-0.0 -0.209 89.8 -44.2 106.7 158.7 22.6 28.3 4.0 62 62 A P + 0 0 43 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 -0.296 47.3 165.5 -64.3 134.1 19.1 28.1 5.6 63 63 A T + 0 0 51 -8,-0.1 2,-0.3 -7,-0.0 -11,-0.0 0.370 51.0 87.9-123.4 -1.2 16.9 31.2 5.6 64 64 A K S >> S- 0 0 134 1,-0.1 3,-1.8 5,-0.0 4,-0.9 -0.793 81.5-118.2-102.4 149.2 13.5 29.8 6.5 65 65 A C H >> S+ 0 0 106 -2,-0.3 4,-2.8 1,-0.3 3,-1.1 0.881 112.9 45.4 -47.4 -54.6 12.2 29.4 10.1 66 66 A G H 34 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.486 102.5 65.6 -76.8 -5.3 11.9 25.6 10.0 67 67 A E H <4 S+ 0 0 116 -3,-1.8 -1,-0.3 1,-0.0 -2,-0.2 0.712 117.6 24.8 -83.4 -25.2 15.3 25.1 8.3 68 68 A C H << S+ 0 0 37 -3,-1.1 -54,-0.6 -4,-0.9 2,-0.4 0.791 118.8 61.0 -99.8 -46.5 17.1 26.4 11.4 69 69 A H B < +B 13 0A 32 -4,-2.8 2,-0.3 -5,-0.3 -56,-0.2 -0.745 58.9 159.3 -91.7 125.9 14.6 25.7 14.1 70 70 A K 0 0 143 -58,-2.2 -58,-0.5 -2,-0.4 -59,-0.1 -0.911 360.0 360.0-150.0 117.5 13.6 22.1 14.7 71 71 A K 0 0 212 -2,-0.3 -1,-0.1 -60,-0.2 -60,-0.1 0.858 360.0 360.0 -67.0 360.0 12.0 20.6 17.9