==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 23-SEP-98 1BWE . COMPND 2 MOLECULE: PROTEIN (FERREDOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SCHLEGELII; . AUTHOR S.AONO,D.BENTROP,I.BERTINI,G.COSENZA,C.LUCHINAT . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 53.2 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 9.1 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 . 1 1.3 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 . 6 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 22.1 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+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 1 0 0 0 0 0 0 0 0 0 0 1 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 . 2 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 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 20 0, 0.0 56,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 128.1 -6.4 3.0 6.3 2 2 A Y E -A 56 0A 55 54,-0.2 2,-0.3 33,-0.1 54,-0.3 -0.767 360.0-164.2-105.2 153.9 -4.4 0.2 4.7 3 3 A V E -A 55 0A 0 52,-3.2 52,-1.7 -2,-0.3 65,-0.1 -0.982 19.2-114.1-138.1 145.8 -0.7 0.1 3.8 4 4 A I - 0 0 1 -2,-0.3 2,-0.3 50,-0.2 50,-0.1 -0.141 32.4-170.6 -60.8 165.3 1.6 -2.0 1.6 5 5 A T > - 0 0 0 62,-0.0 3,-3.0 63,-0.0 4,-0.3 -0.956 43.3 -61.0-151.9 168.7 4.4 -4.2 3.1 6 6 A E G > S+ 0 0 89 -2,-0.3 3,-2.2 1,-0.3 -2,-0.0 0.582 121.4 61.2 -8.5 -62.1 7.5 -6.3 2.0 7 7 A P G 3 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 46,-0.0 0.736 94.4 66.1 -61.6 -21.4 5.6 -8.9 -0.1 8 8 A C G < S+ 0 0 15 -3,-3.0 2,-1.6 45,-0.1 5,-0.3 0.774 72.9 103.5 -62.2 -30.3 4.4 -6.1 -2.5 9 9 A I < + 0 0 70 -3,-2.2 22,-0.1 -4,-0.3 -1,-0.1 -0.391 35.0 138.1 -68.2 90.9 8.0 -5.5 -3.6 10 10 A G S S- 0 0 44 -2,-1.6 -1,-0.1 20,-0.3 21,-0.0 -0.503 78.3 -83.4-132.1 60.8 8.0 -7.1 -7.0 11 11 A T S S- 0 0 127 1,-0.2 20,-0.2 2,-0.1 19,-0.1 0.847 100.5 -23.5 39.6 73.0 9.9 -4.7 -9.2 12 12 A K S S- 0 0 82 18,-3.0 19,-0.2 1,-0.1 -1,-0.2 0.902 77.8-178.5 68.9 48.5 7.4 -2.0 -10.3 13 13 A C - 0 0 45 17,-0.4 -1,-0.1 -5,-0.3 19,-0.1 -0.402 5.7-175.2 -64.2 152.4 4.0 -3.8 -9.9 14 14 A A + 0 0 51 17,-0.1 -1,-0.1 -2,-0.1 3,-0.0 -0.089 45.2 109.8-148.7 40.1 1.1 -1.5 -11.0 15 15 A S S S+ 0 0 62 1,-0.1 4,-0.3 3,-0.1 34,-0.1 0.854 75.0 59.1 -83.9 -37.3 -2.2 -3.4 -10.3 16 16 A C S > S+ 0 0 9 2,-0.1 4,-0.7 3,-0.1 -1,-0.1 0.607 87.3 101.7 -70.0 -13.7 -3.4 -1.2 -7.3 17 17 A V T 4 S+ 0 0 43 1,-0.2 2,-2.0 2,-0.1 -3,-0.1 -0.285 83.9 8.1 -68.3 153.8 -3.4 2.0 -9.5 18 18 A E T 4 S+ 0 0 174 1,-0.2 -1,-0.2 7,-0.1 5,-0.1 -0.112 112.2 76.9 75.9 -40.3 -6.5 3.6 -11.1 19 19 A V T 4 S+ 0 0 71 -2,-2.0 -1,-0.2 -4,-0.3 -2,-0.1 0.789 70.7 99.3 -72.6 -29.1 -9.0 1.3 -9.2 20 20 A C S >< S- 0 0 16 -4,-0.7 3,-2.3 1,-0.1 -2,-0.1 -0.459 81.3-127.3 -65.6 126.6 -8.5 3.3 -5.9 21 21 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 0.703 109.5 21.5 -39.7 -37.4 -11.4 5.8 -5.4 22 22 A V T 3 S- 0 0 73 16,-0.0 -2,-0.1 0, 0.0 -3,-0.1 0.064 102.1-124.1-126.5 21.3 -8.8 8.7 -4.9 23 23 A D < + 0 0 76 -3,-2.3 2,-0.4 1,-0.2 -6,-0.1 0.793 49.9 160.7 33.2 51.7 -5.8 7.1 -6.7 24 24 A C + 0 0 3 11,-0.1 11,-2.6 14,-0.1 2,-0.4 -0.214 32.8 111.7 -94.6 42.3 -3.6 7.5 -3.5 25 25 A I E -B 34 0B 6 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.966 49.3-171.3-115.2 132.3 -1.0 5.0 -4.7 26 26 A H E -B 33 0B 64 7,-2.1 7,-3.2 -2,-0.4 2,-0.5 -0.966 24.9-121.9-133.5 142.1 2.4 6.4 -5.5 27 27 A E E +B 32 0B 97 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.706 27.8 166.0 -83.5 125.1 5.7 5.5 -7.1 28 28 A G S S- 0 0 38 3,-1.1 -1,-0.2 -2,-0.5 4,-0.1 0.823 72.9 -91.0 -86.8 -55.1 8.7 5.9 -4.9 29 29 A E S S+ 0 0 117 2,-0.5 -2,-0.0 -3,-0.2 0, 0.0 -0.236 116.3 52.1-173.6 -60.9 10.5 3.7 -7.5 30 30 A D S S- 0 0 47 -19,-0.1 -18,-3.0 -18,-0.1 -17,-0.4 0.682 117.8 -11.2 -66.4 -29.2 10.2 0.1 -6.5 31 31 A Q S S- 0 0 2 -19,-0.2 -3,-1.1 -20,-0.2 2,-0.6 -0.904 79.5 -76.7-158.2 177.5 6.5 -0.2 -6.0 32 32 A Y E -B 27 0B 40 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.889 46.4-153.9 -96.9 116.0 3.1 1.6 -5.6 33 33 A Y E -B 26 0B 19 -7,-3.2 -7,-2.1 -2,-0.6 2,-0.4 -0.822 6.0-140.1 -94.9 119.6 3.0 3.2 -2.1 34 34 A I E -B 25 0B 2 -2,-0.5 -9,-0.2 -9,-0.2 -30,-0.1 -0.688 10.8-134.8 -81.3 130.1 -0.4 3.8 -0.6 35 35 A D >> - 0 0 4 -11,-2.6 4,-2.7 -2,-0.4 3,-0.6 -0.760 14.6-163.1 -77.4 111.6 -0.8 7.0 1.4 36 36 A P T 34 S+ 0 0 3 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.822 89.4 56.8 -60.0 -31.0 -2.7 5.8 4.6 37 37 A D T 34 S+ 0 0 80 1,-0.2 -2,-0.1 34,-0.1 35,-0.1 0.753 114.6 36.2 -79.1 -23.6 -3.7 9.4 5.3 38 38 A V T <4 S+ 0 0 70 -3,-0.6 -1,-0.2 -14,-0.2 2,-0.2 0.763 95.0 100.2 -92.1 -32.8 -5.4 9.8 1.9 39 39 A C < - 0 0 17 -4,-2.7 -5,-0.0 -15,-0.2 -19,-0.0 -0.349 61.2-156.1 -57.6 123.6 -6.7 6.2 1.8 40 40 A I - 0 0 110 -2,-0.2 -1,-0.1 -39,-0.1 -3,-0.1 0.110 46.6-102.9 -89.5 21.2 -10.4 6.3 2.8 41 41 A D + 0 0 66 1,-0.2 2,-0.3 -5,-0.1 15,-0.0 0.972 62.2 160.7 50.7 95.4 -10.3 2.6 3.9 42 42 A C - 0 0 33 -40,-0.0 2,-1.6 0, 0.0 4,-0.4 -0.991 49.4-115.9-147.0 148.4 -12.0 0.6 1.1 43 43 A G S S+ 0 0 70 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.252 89.0 82.7 -86.7 51.7 -12.0 -3.1 -0.1 44 44 A A S > S+ 0 0 22 -2,-1.6 4,-2.2 3,-0.1 3,-0.4 0.741 80.8 43.3-111.7 -77.0 -10.4 -2.5 -3.6 45 45 A C H > S+ 0 0 7 1,-0.3 4,-2.7 2,-0.2 -2,-0.1 0.857 116.1 48.9 -48.0 -48.8 -6.6 -2.3 -3.7 46 46 A E H 4 S+ 0 0 33 -4,-0.4 6,-0.4 1,-0.2 -1,-0.3 0.921 112.4 48.4 -57.5 -46.5 -6.0 -5.3 -1.3 47 47 A A H 4 S+ 0 0 86 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.8 47.1 -63.3 -33.1 -8.5 -7.4 -3.3 48 48 A V H < S+ 0 0 57 -4,-2.2 -2,-0.2 -3,-0.1 -1,-0.2 0.850 89.6 90.8 -74.8 -38.3 -6.7 -6.4 -6.5 49 49 A C S >< S- 0 0 14 -4,-2.7 3,-1.5 -5,-0.2 2,-0.5 -0.481 74.3-146.7 -64.3 112.4 -3.1 -7.1 -5.1 50 50 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.209 93.3 52.7 -74.5 20.9 -2.6 -10.7 -6.1 51 51 A V T 3 S- 0 0 71 -2,-0.5 -4,-0.1 -5,-0.2 -5,-0.1 0.580 99.7-129.6-120.4 -30.3 -0.5 -11.3 -2.9 52 52 A S < + 0 0 65 -3,-1.5 -5,-0.1 -6,-0.4 -6,-0.1 0.984 64.3 126.4 62.3 81.8 -2.9 -10.1 -0.2 53 53 A A + 0 0 1 -7,-0.1 2,-1.4 -4,-0.1 -45,-0.1 0.393 27.9 105.5-144.3 -9.9 -0.5 -7.7 1.7 54 54 A I + 0 0 4 -50,-0.1 -50,-0.2 -5,-0.1 2,-0.2 -0.692 55.0 165.2 -79.8 92.8 -2.2 -4.3 1.9 55 55 A Y E -A 3 0A 87 -52,-1.7 -52,-3.2 -2,-1.4 5,-0.1 -0.644 44.6 -80.5-109.4 164.6 -3.1 -4.6 5.6 56 56 A H E >> -A 2 0A 56 -54,-0.3 4,-2.3 -2,-0.2 3,-0.6 -0.344 44.2-115.0 -62.5 146.9 -4.2 -2.1 8.2 57 57 A E T 34 S+ 0 0 40 -56,-1.4 11,-0.1 1,-0.3 -1,-0.1 0.872 119.0 46.9 -53.0 -41.0 -1.4 -0.1 9.6 58 58 A D T 34 S+ 0 0 94 1,-0.2 -1,-0.3 10,-0.0 4,-0.1 0.835 109.5 54.8 -70.2 -28.9 -2.0 -1.5 13.0 59 59 A F T <4 S+ 0 0 147 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.857 86.0 94.4 -73.4 -38.9 -2.2 -5.1 11.5 60 60 A V S < S- 0 0 0 -4,-2.3 5,-0.1 1,-0.1 -56,-0.0 -0.373 91.7-105.2 -53.8 124.5 1.2 -4.7 9.8 61 61 A P >> - 0 0 48 0, 0.0 3,-1.6 0, 0.0 4,-1.3 -0.216 27.5-109.5 -53.8 144.9 3.8 -6.3 12.2 62 62 A E H 3> S+ 0 0 124 1,-0.3 4,-0.7 2,-0.3 3,-0.4 0.825 119.4 60.5 -41.5 -47.4 6.1 -3.9 14.1 63 63 A E H 34 S+ 0 0 144 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.883 115.4 34.8 -47.6 -44.4 9.1 -5.0 12.0 64 64 A W H X> S+ 0 0 72 -3,-1.6 3,-1.9 1,-0.2 4,-0.7 0.523 90.6 90.5 -96.7 -6.7 7.1 -3.7 8.9 65 65 A K H 3X S+ 0 0 60 -4,-1.3 4,-2.4 -3,-0.4 3,-0.5 0.794 74.6 76.4 -58.0 -22.4 5.4 -0.7 10.8 66 66 A S H 3X S+ 0 0 81 -4,-0.7 4,-2.5 -3,-0.4 -1,-0.3 0.909 91.6 51.9 -49.0 -43.1 8.6 1.0 9.5 67 67 A Y H <> S+ 0 0 47 -3,-1.9 4,-3.1 2,-0.2 -1,-0.3 0.836 103.6 56.1 -64.4 -35.1 6.8 0.9 6.1 68 68 A I H X S+ 0 0 13 -4,-0.7 4,-2.7 -3,-0.5 -2,-0.2 0.958 109.8 46.1 -64.3 -46.1 3.7 2.6 7.7 69 69 A Q H X S+ 0 0 128 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.938 114.4 48.2 -56.9 -46.6 6.0 5.4 8.8 70 70 A K H X S+ 0 0 72 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.910 112.1 48.2 -61.2 -46.4 7.5 5.5 5.3 71 71 A N H X S+ 0 0 0 -4,-3.1 4,-0.5 2,-0.2 -1,-0.2 0.870 115.6 45.6 -61.6 -40.0 4.1 5.5 3.6 72 72 A R H >X S+ 0 0 57 -4,-2.7 3,-1.0 -5,-0.2 4,-0.5 0.990 116.6 45.6 -57.2 -61.9 3.0 8.3 6.0 73 73 A D H >X S+ 0 0 51 -4,-3.1 3,-1.6 1,-0.2 4,-1.5 0.803 95.2 74.3 -53.0 -50.4 6.2 10.3 5.6 74 74 A F H 3< S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.717 113.6 21.2 -37.5 -46.3 6.5 10.1 1.8 75 75 A F H << S+ 0 0 68 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.350 110.4 73.7-111.4 -3.2 3.7 12.6 1.1 76 76 A K H << 0 0 95 -3,-1.6 -2,-0.2 -4,-0.5 -3,-0.1 0.853 360.0 360.0 -82.9 -36.7 3.6 14.5 4.4 77 77 A K < 0 0 173 -4,-1.5 -3,-0.2 0, 0.0 -2,-0.1 0.163 360.0 360.0-165.7 360.0 6.8 16.4 3.9