==== 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 4HBF . 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) . 6448.0 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 . 10 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 23.9 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 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 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 0 154 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.0 35.0 19.7 20.1 2 2 A D - 0 0 151 1,-0.1 0, 0.0 15,-0.0 0, 0.0 -0.570 360.0-105.7 -93.6 152.9 31.2 19.2 19.7 3 3 A D - 0 0 92 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.226 39.3-131.2 -62.2 159.3 28.7 21.1 17.8 4 4 A I E -A 15 0A 104 11,-1.0 11,-2.3 9,-0.0 2,-0.5 -0.900 8.0-146.4-119.5 153.6 26.4 23.2 19.9 5 5 A V E -A 14 0A 71 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.980 12.7-141.7-116.3 128.5 22.7 23.7 19.9 6 6 A L E -A 13 0A 68 7,-2.8 7,-2.4 -2,-0.5 2,-2.3 -0.834 20.2-133.0 -89.4 120.7 21.1 27.0 20.7 7 7 A K + 0 0 157 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.352 33.2 175.9 -80.6 65.1 18.1 26.4 22.9 8 8 A A > - 0 0 30 -2,-2.3 3,-1.9 3,-0.3 -2,-0.0 -0.458 34.9-130.1 -67.0 133.7 15.6 28.6 21.1 9 9 A K T 3 S+ 0 0 214 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.845 106.9 54.8 -57.2 -37.1 12.1 28.2 22.7 10 10 A N T 3 S- 0 0 98 1,-0.3 -1,-0.3 60,-0.0 61,-0.2 0.521 132.2 -37.3 -73.4 -9.2 10.5 27.6 19.3 11 11 A G S < S- 0 0 4 -3,-1.9 -3,-0.3 59,-0.1 -1,-0.3 -0.327 72.2 -79.5 149.3 128.3 12.9 24.8 18.5 12 12 A D - 0 0 53 58,-0.5 58,-2.0 57,-0.2 2,-0.6 -0.127 37.2-151.2 -41.7 132.7 16.6 23.9 18.9 13 13 A A E -AB 6 69A 16 -7,-2.4 -7,-2.8 56,-0.2 2,-0.2 -0.924 13.3-156.6-114.1 102.0 18.9 25.6 16.4 14 14 A K E -A 5 0A 146 -2,-0.6 -9,-0.2 54,-0.5 -11,-0.0 -0.522 5.8-153.5 -78.5 149.1 21.9 23.4 15.8 15 15 A F E -A 4 0A 68 -11,-2.3 -11,-1.0 -2,-0.2 2,-0.9 -0.943 6.9-159.5-122.4 102.0 25.2 24.9 14.6 16 16 A P > - 0 0 45 0, 0.0 4,-1.1 0, 0.0 3,-0.2 -0.757 3.9-168.3 -87.0 108.0 27.2 22.3 12.6 17 17 A H H > S+ 0 0 62 -2,-0.9 4,-2.8 1,-0.2 3,-0.5 0.892 78.2 61.7 -64.9 -41.5 30.8 23.5 12.6 18 18 A K H > S+ 0 0 174 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.906 104.2 49.6 -55.9 -44.7 32.2 21.2 10.0 19 19 A A H > S+ 0 0 58 1,-0.2 4,-2.2 -3,-0.2 -1,-0.3 0.857 113.7 46.9 -61.1 -35.6 29.9 22.6 7.3 20 20 A H H X S+ 0 0 51 -4,-1.1 4,-2.3 -3,-0.5 -2,-0.2 0.875 107.1 53.9 -75.9 -41.8 30.9 26.1 8.2 21 21 A Q H < S+ 0 0 124 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.3 42.6 -56.4 -39.5 34.6 25.5 8.3 22 22 A K H < S+ 0 0 187 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.910 121.3 37.0 -73.6 -43.4 34.3 24.1 4.7 23 23 A A H < S+ 0 0 54 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.647 118.7 49.1 -88.7 -15.5 31.9 26.7 3.3 24 24 A V < + 0 0 24 -4,-2.3 -1,-0.2 -5,-0.1 5,-0.1 -0.638 57.1 166.3-128.0 74.1 33.3 29.7 5.1 25 25 A P + 0 0 108 0, 0.0 2,-1.8 0, 0.0 3,-0.2 0.691 63.4 87.0 -62.5 -19.1 37.2 29.7 4.6 26 26 A D > + 0 0 90 1,-0.2 3,-2.4 -3,-0.1 4,-0.2 -0.569 60.9 177.7 -78.5 79.3 37.2 33.3 5.8 27 27 A C G >> + 0 0 74 -2,-1.8 4,-2.9 1,-0.3 3,-2.0 0.741 69.4 73.3 -57.1 -30.5 37.5 32.1 9.5 28 28 A K G 34 S+ 0 0 125 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.543 74.9 81.8 -67.6 -5.8 37.7 35.7 10.6 29 29 A K G <4 S+ 0 0 127 -3,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.795 120.1 3.4 -60.7 -30.0 34.0 36.0 9.8 30 30 A C T <4 S+ 0 0 90 -3,-2.0 3,-0.4 -4,-0.2 -2,-0.2 0.592 122.0 71.5-125.7 -30.1 33.5 34.4 13.2 31 31 A H S < S+ 0 0 108 -4,-2.9 3,-0.1 1,-0.2 -1,-0.0 -0.580 91.4 24.0 -99.9 158.5 36.9 33.9 14.9 32 32 A E S S+ 0 0 161 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.764 80.3 155.6 60.3 29.2 39.3 36.4 16.4 33 33 A K - 0 0 93 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.437 48.6 -99.2 -76.9 158.4 36.5 38.9 17.0 34 34 A G > - 0 0 49 1,-0.2 3,-0.8 -2,-0.1 -1,-0.1 -0.039 57.1 -65.7 -68.2-178.1 37.0 41.4 19.7 35 35 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.240 111.1 51.1 -69.5 158.1 35.4 40.9 23.2 36 36 A G T 3> S+ 0 0 36 -3,-0.1 4,-2.2 5,-0.0 5,-0.1 0.215 71.0 108.9 105.0 -15.1 31.7 40.9 23.7 37 37 A K H <> S+ 0 0 105 -3,-0.8 4,-0.8 2,-0.2 -3,-0.0 0.787 80.7 48.1 -68.8 -28.9 30.7 38.4 21.0 38 38 A I H 4 S+ 0 0 168 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.938 118.7 40.0 -74.2 -47.3 29.8 35.7 23.5 39 39 A E H 4 S+ 0 0 179 1,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.827 114.0 57.2 -66.9 -27.7 27.7 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 0.672 77.9 105.8 -85.0 -18.3 26.3 39.8 22.5 41 41 A F < + 0 0 84 -4,-0.8 2,-0.3 -3,-0.5 3,-0.0 -0.347 42.2 123.3 -68.7 140.7 24.7 36.9 20.7 42 42 A G S > S- 0 0 31 1,-0.1 4,-3.0 -2,-0.0 5,-0.2 -0.937 73.2 -59.4-169.7-164.7 21.0 36.7 20.7 43 43 A K H > S+ 0 0 154 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.909 127.9 52.6 -62.4 -45.4 17.8 36.5 18.5 44 44 A E H > S+ 0 0 85 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.936 113.9 42.6 -55.6 -49.1 18.5 39.7 16.8 45 45 A M H >4>S+ 0 0 51 -5,-0.2 5,-1.9 2,-0.2 3,-0.9 0.938 113.0 53.5 -62.6 -47.5 22.1 38.7 15.8 46 46 A A H 3<5S+ 0 0 17 -4,-3.0 6,-2.7 4,-0.3 5,-0.4 0.881 113.0 42.2 -55.1 -42.9 20.9 35.2 14.8 47 47 A H H 3<5S+ 0 0 92 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.555 123.9 44.2 -85.3 -8.0 18.2 36.5 12.5 48 48 A G T X<>S- 0 0 27 -3,-0.9 5,-3.5 -4,-0.7 3,-1.5 0.052 130.0 -37.5-104.6-139.5 20.8 39.1 11.3 49 49 A K T 3 5S+ 0 0 148 1,-0.3 5,-0.1 4,-0.3 -3,-0.1 0.689 122.9 76.5 -68.3 -17.6 24.4 38.7 10.4 50 50 A G T 3 5S+ 0 0 37 -3,-1.5 4,-1.8 -6,-0.8 3,-0.7 0.280 136.4 40.2-143.9 -76.9 23.3 33.4 11.2 52 52 A K H 3>5S+ 0 0 81 -6,-2.7 4,-1.8 1,-0.3 -3,-0.2 0.846 111.6 57.4 -56.8 -43.2 20.5 34.1 8.7 53 53 A G H 3> S+ 0 0 38 -3,-0.7 4,-3.2 -6,-0.6 6,-0.3 0.934 108.1 54.0 -71.3 -41.5 25.3 35.4 6.3 55 55 A H H <>S+ 0 0 25 -4,-1.8 5,-1.4 1,-0.2 4,-0.4 0.879 111.9 46.0 -56.2 -38.0 23.3 32.7 4.6 56 56 A E H ><5S+ 0 0 97 -4,-1.8 3,-0.5 3,-0.2 -1,-0.2 0.912 114.7 46.3 -73.1 -43.0 21.5 35.3 2.5 57 57 A E H 3<5S+ 0 0 164 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 116.3 43.5 -67.0 -41.9 24.7 37.2 1.7 58 58 A M T 3<5S- 0 0 89 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.468 106.8-128.2 -84.6 -2.8 26.6 34.1 0.7 59 59 A K T < 5S+ 0 0 180 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.718 78.8 85.0 61.9 26.9 23.6 32.7 -1.2 60 60 A K < + 0 0 151 -5,-1.4 -2,-0.2 -6,-0.3 -1,-0.1 -0.980 56.9 52.0-157.0 149.8 23.8 29.5 0.7 61 61 A G S S- 0 0 42 -2,-0.3 2,-0.1 -3,-0.1 -2,-0.0 -0.122 90.3 -43.2 101.9 160.2 22.6 28.0 4.0 62 62 A P + 0 0 45 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 -0.318 48.2 165.9 -66.8 133.0 19.1 27.8 5.7 63 63 A T + 0 0 53 -8,-0.1 2,-0.3 -2,-0.1 -11,-0.0 0.360 50.7 89.7-124.6 1.7 16.9 31.0 5.6 64 64 A K S >> S- 0 0 133 1,-0.1 3,-1.5 5,-0.0 4,-1.2 -0.781 79.8-120.6-102.9 149.0 13.5 29.5 6.5 65 65 A C H >> S+ 0 0 106 -2,-0.3 4,-2.6 1,-0.3 3,-0.7 0.892 112.1 45.5 -49.0 -55.3 12.2 29.2 10.1 66 66 A G H 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.514 105.0 62.7 -74.7 -7.4 11.8 25.4 10.0 67 67 A E H <4 S+ 0 0 97 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.777 116.7 27.5 -83.1 -31.9 15.2 24.9 8.4 68 68 A C H << S+ 0 0 40 -4,-1.2 -54,-0.5 -3,-0.7 2,-0.5 0.797 118.5 60.5 -94.1 -36.7 17.1 26.3 11.4 69 69 A H B < +B 13 0A 34 -4,-2.6 2,-0.3 -5,-0.3 -56,-0.2 -0.844 60.3 165.0-102.1 128.9 14.6 25.6 14.2 70 70 A K 0 0 113 -58,-2.0 -58,-0.5 -2,-0.5 -59,-0.1 -0.943 360.0 360.0-148.9 117.0 13.7 21.9 14.9 71 71 A K 0 0 235 -2,-0.3 -59,-0.1 -60,-0.2 -1,-0.1 0.954 360.0 360.0 -69.7 360.0 11.9 20.5 17.9