==== 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 20-AUG-98 1BQX . 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) . 4379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 54.5 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 . 8 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 20.8 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 0 1 0 0 0 0 0 0 0 0 1 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 . 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 4 0, 0.0 56,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.2 -6.1 2.6 6.3 2 2 A Y E -A 56 0A 61 54,-0.3 2,-0.3 33,-0.1 54,-0.3 -0.785 360.0-172.5-101.6 138.6 -4.7 -0.3 4.3 3 3 A V E -A 55 0A 0 52,-3.2 52,-1.9 -2,-0.3 65,-0.1 -0.978 21.4-124.5-138.4 143.8 -1.0 -0.5 3.5 4 4 A I + 0 0 0 -2,-0.3 67,-0.1 50,-0.2 50,-0.1 -0.160 31.1 172.8 -66.5 172.4 1.5 -2.6 1.4 5 5 A T - 0 0 2 62,-0.0 -1,-0.1 61,-0.0 49,-0.1 0.103 48.4 -43.2-143.9 -97.7 4.5 -4.3 3.1 6 6 A E S > S+ 0 0 85 47,-0.1 3,-1.9 2,-0.1 2,-1.0 0.749 115.3 62.6-127.2 -52.5 7.2 -6.7 1.9 7 7 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.088 100.2 67.2 -70.4 31.4 5.8 -9.6 -0.3 8 8 A C T 3 S+ 0 0 21 -2,-1.0 24,-0.2 45,-0.1 5,-0.2 0.544 70.1 106.2-115.6 -30.6 4.8 -6.8 -2.7 9 9 A I < + 0 0 79 -3,-1.9 22,-0.1 22,-0.1 -3,-0.0 -0.327 36.2 127.8 -58.3 134.4 8.3 -5.7 -3.7 10 10 A G S S- 0 0 45 20,-0.3 -1,-0.1 3,-0.1 21,-0.0 0.088 72.5 -87.8 162.0 64.9 8.9 -6.9 -7.3 11 11 A T S S- 0 0 116 1,-0.2 20,-0.2 20,-0.1 19,-0.2 0.614 102.2 -9.3 15.5 84.9 10.1 -4.4 -9.9 12 12 A K S S- 0 0 92 18,-2.5 -1,-0.2 17,-0.2 19,-0.2 0.922 74.2-175.3 76.0 58.4 7.1 -2.7 -11.5 13 13 A C - 0 0 42 17,-0.8 2,-0.2 -5,-0.2 -1,-0.1 -0.350 5.9-163.2 -63.6 155.1 4.0 -4.5 -10.4 14 14 A A + 0 0 78 -2,-0.0 3,-0.0 18,-0.0 17,-0.0 -0.744 56.9 79.4-148.5 95.8 0.7 -3.3 -12.0 15 15 A S S S+ 0 0 40 -2,-0.2 2,-2.6 34,-0.0 4,-0.1 0.149 78.1 64.1-155.8 -57.4 -2.6 -4.3 -10.2 16 16 A C S S+ 0 0 6 1,-0.1 29,-0.1 2,-0.1 30,-0.0 -0.360 92.5 82.5 -73.4 61.0 -3.2 -2.0 -7.3 17 17 A V S > S+ 0 0 33 -2,-2.6 3,-1.5 15,-0.1 2,-1.5 0.411 85.0 30.3-126.7 -92.2 -3.5 0.9 -9.7 18 18 A E T 3 S+ 0 0 170 1,-0.3 -2,-0.1 5,-0.1 0, 0.0 0.048 112.0 66.8 -75.7 32.2 -6.7 1.8 -11.6 19 19 A V T 3 + 0 0 52 -2,-1.5 -1,-0.3 -4,-0.1 -3,-0.1 0.629 65.8 107.2-117.2 -33.0 -9.0 0.4 -8.8 20 20 A C X - 0 0 24 -3,-1.5 3,-1.7 1,-0.2 5,-0.1 -0.382 63.6-141.7 -66.3 123.4 -8.4 2.8 -5.9 21 21 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 18,-0.0 0.746 101.4 29.5 -45.0 -36.5 -11.5 5.0 -5.3 22 22 A V T 3 S- 0 0 68 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.006 105.2-119.1-125.8 27.2 -9.3 8.0 -4.5 23 23 A D < + 0 0 113 -3,-1.7 -5,-0.1 1,-0.2 16,-0.0 0.838 61.1 144.9 36.7 62.0 -6.1 7.3 -6.5 24 24 A C + 0 0 1 -7,-0.1 11,-2.6 2,-0.0 2,-0.5 -0.105 31.3 110.9-118.8 33.4 -3.7 7.1 -3.6 25 25 A I E +B 34 0B 10 9,-0.2 2,-0.3 -8,-0.1 9,-0.2 -0.961 44.6 174.4-111.2 116.3 -1.5 4.4 -5.0 26 26 A H E -B 33 0B 67 7,-2.9 7,-2.4 -2,-0.5 2,-0.3 -0.931 28.8-111.6-128.3 146.7 2.0 5.7 -5.9 27 27 A E E -B 32 0B 80 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.625 12.6-168.0 -84.8 140.7 5.2 4.1 -7.2 28 28 A G - 0 0 29 3,-3.1 2,-2.5 -2,-0.3 4,-0.1 -0.428 64.7-101.5-106.5 43.5 8.4 3.8 -5.1 29 29 A E S S+ 0 0 142 1,-0.2 -17,-0.2 -18,-0.0 3,-0.1 -0.411 118.6 43.3 65.2 -61.8 9.9 2.9 -8.6 30 30 A D S S+ 0 0 42 -2,-2.5 -18,-2.5 -19,-0.2 -17,-0.8 0.813 125.5 7.8 -77.8 -34.3 9.9 -0.9 -7.8 31 31 A Q S S- 0 0 11 -19,-0.2 -3,-3.1 -20,-0.2 2,-0.1 -0.941 80.8 -92.2-149.0 158.3 6.5 -1.2 -6.1 32 32 A Y E -B 27 0B 29 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.444 30.6-155.3 -77.1 156.0 3.3 0.7 -5.4 33 33 A Y E -B 26 0B 18 -7,-2.4 -7,-2.9 -2,-0.1 2,-0.4 -0.997 7.0-146.6-135.7 119.3 2.9 2.7 -2.1 34 34 A I E -B 25 0B 2 -2,-0.4 -9,-0.2 -9,-0.2 -30,-0.1 -0.796 15.5-131.2 -89.0 131.1 -0.6 3.4 -0.7 35 35 A D >> - 0 0 7 -11,-2.6 4,-2.7 -2,-0.4 3,-0.8 -0.765 18.1-164.3 -76.0 111.2 -1.0 6.7 1.2 36 36 A P T 34 S+ 0 0 3 0, 0.0 5,-0.2 0, 0.0 -1,-0.2 0.836 87.9 57.4 -61.8 -31.0 -2.7 5.4 4.3 37 37 A D T 34 S+ 0 0 79 1,-0.2 -2,-0.1 34,-0.1 35,-0.0 0.717 114.6 36.0 -79.6 -18.9 -3.7 9.0 5.1 38 38 A V T <4 S+ 0 0 71 -3,-0.8 -1,-0.2 -14,-0.1 2,-0.1 0.745 94.7 99.5 -96.3 -33.5 -5.6 9.4 1.8 39 39 A C < - 0 0 16 -4,-2.7 2,-0.4 -15,-0.2 -5,-0.0 -0.329 69.1-144.1 -55.7 128.2 -6.9 5.7 1.6 40 40 A I - 0 0 108 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.1 -0.143 46.9 -97.1 -91.0 38.6 -10.6 5.7 2.8 41 41 A D S S+ 0 0 90 -2,-0.4 2,-0.1 -5,-0.2 -1,-0.1 0.895 76.0 145.4 44.9 57.1 -10.2 2.3 4.6 42 42 A C - 0 0 39 -40,-0.1 -1,-0.1 1,-0.0 -22,-0.0 -0.256 48.2-136.7 -99.5-167.5 -11.7 0.2 1.7 43 43 A G S > S+ 0 0 42 -2,-0.1 4,-1.2 2,-0.1 5,-0.1 0.107 70.8 100.6-142.7 23.4 -10.6 -3.4 0.7 44 44 A A H > S+ 0 0 31 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.957 78.2 53.2 -77.6 -54.5 -10.4 -3.4 -3.1 45 45 A C H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.893 109.7 49.8 -52.7 -46.0 -6.6 -3.0 -3.7 46 46 A E H 4 S+ 0 0 26 2,-0.2 6,-0.4 1,-0.2 5,-0.3 0.952 110.9 49.1 -55.8 -52.5 -5.9 -6.1 -1.4 47 47 A A H < S+ 0 0 87 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 114.6 47.1 -57.7 -33.3 -8.5 -8.2 -3.3 48 48 A V H < S+ 0 0 58 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.824 86.9 93.8 -77.5 -35.8 -6.8 -7.0 -6.5 49 49 A C S >< S- 0 0 9 -4,-2.6 3,-1.5 -5,-0.2 2,-0.9 -0.476 75.6-143.9 -60.8 112.8 -3.2 -7.7 -5.3 50 50 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.144 95.0 48.2 -75.2 26.0 -2.8 -11.3 -6.8 51 51 A V T 3 S- 0 0 78 -2,-0.9 -4,-0.1 -5,-0.3 -2,-0.1 0.516 103.5-124.6-129.3 -29.2 -0.7 -12.3 -3.7 52 52 A S < + 0 0 75 -3,-1.5 -5,-0.1 -6,-0.4 -6,-0.1 0.916 63.9 127.9 63.1 98.5 -2.8 -11.0 -0.8 53 53 A A + 0 0 3 -7,-0.1 2,-0.7 1,-0.1 -47,-0.1 0.425 30.0 102.9-154.4 -21.4 -0.5 -8.7 1.2 54 54 A I + 0 0 2 -8,-0.1 2,-0.3 -50,-0.1 -50,-0.2 -0.719 50.0 168.0 -80.4 115.6 -2.1 -5.3 1.7 55 55 A Y E -A 3 0A 89 -52,-1.9 -52,-3.2 -2,-0.7 5,-0.1 -0.792 42.7 -75.9-124.7 167.2 -3.3 -5.2 5.4 56 56 A H E > -A 2 0A 38 -2,-0.3 4,-2.4 -54,-0.3 3,-0.4 -0.334 43.5-118.1 -59.8 144.0 -4.6 -2.6 7.8 57 57 A E T 4 S+ 0 0 36 -56,-2.9 11,-0.1 1,-0.3 -1,-0.1 0.881 118.8 49.0 -51.6 -40.3 -1.8 -0.4 9.2 58 58 A D T 4 S+ 0 0 107 -57,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.881 111.3 50.0 -60.5 -40.5 -2.8 -1.7 12.6 59 59 A F T 4 S+ 0 0 132 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.805 83.3 99.7 -78.3 -35.0 -2.7 -5.3 11.3 60 60 A V S < S- 0 0 0 -4,-2.4 5,-0.1 1,-0.1 8,-0.0 -0.378 87.8-104.1 -53.2 124.4 0.7 -5.2 9.6 61 61 A P >> - 0 0 54 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.175 26.6-108.6 -54.2 146.2 3.2 -6.8 12.1 62 62 A E H 3> S+ 0 0 127 1,-0.3 4,-0.7 2,-0.3 3,-0.3 0.801 119.9 61.2 -41.2 -45.2 5.6 -4.5 14.1 63 63 A E H 34 S+ 0 0 143 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.897 116.7 32.9 -47.9 -43.9 8.6 -5.7 12.0 64 64 A W H X> S+ 0 0 73 -3,-1.8 3,-1.8 1,-0.2 4,-0.8 0.466 89.6 92.8-100.2 -4.5 6.7 -4.3 9.0 65 65 A K H >X S+ 0 0 50 -4,-1.1 4,-2.5 -3,-0.3 3,-0.6 0.841 76.4 74.8 -55.0 -28.9 5.0 -1.3 10.9 66 66 A S H 3X S+ 0 0 76 -4,-0.7 4,-2.5 -3,-0.3 -1,-0.3 0.890 92.0 51.2 -44.6 -45.1 8.2 0.3 9.6 67 67 A Y H <> S+ 0 0 50 -3,-1.8 4,-3.1 2,-0.2 -1,-0.3 0.835 104.6 55.3 -67.3 -33.5 6.5 0.3 6.1 68 68 A I H X S+ 0 0 60 -4,-2.8 4,-1.5 -5,-0.2 3,-1.0 0.982 115.7 46.9 -56.2 -59.4 2.8 7.7 5.8 73 73 A D H 3< S+ 0 0 58 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.756 94.8 74.6 -59.2 -41.5 6.1 9.6 5.4 74 74 A F H 3< S+ 0 0 68 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 0.846 114.5 21.6 -38.0 -52.2 6.3 9.2 1.6 75 75 A F H << S+ 0 0 61 -3,-1.0 2,-1.8 -4,-0.7 -1,-0.2 0.628 106.6 79.7-103.5 -21.3 3.7 11.9 1.1 76 76 A K < 0 0 85 -4,-1.5 -1,-0.2 -5,-0.1 -4,-0.0 -0.623 360.0 360.0 -80.9 75.2 3.9 13.7 4.5 77 77 A K 0 0 193 -2,-1.8 -3,-0.0 -3,-0.0 0, 0.0 -0.941 360.0 360.0-157.2 360.0 7.0 15.5 3.0