==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-OCT-96 1VJW . COMPND 2 MOLECULE: FERREDOXIN(A); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.MACEDO-RIBEIRO,B.DARIMONT,R.STERNER,R.HUBER . 58 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 55.2 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 . 9 15.5 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 . 1 1.7 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 . 4 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 19.0 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+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 1 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 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 M 0 0 63 0, 0.0 38,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 141.1 2.6 24.4 24.0 2 2 A K B -A 38 0A 136 36,-0.2 2,-0.5 38,-0.1 36,-0.2 -0.844 360.0-162.0 -92.9 127.2 4.0 21.3 25.6 3 3 A V + 0 0 1 34,-3.1 2,-0.3 -2,-0.5 55,-0.2 -0.955 15.2 167.0-116.9 129.3 3.5 18.3 23.4 4 4 A R E -B 57 0B 121 53,-2.3 53,-2.4 -2,-0.5 2,-0.4 -0.936 19.5-150.6-136.8 159.1 3.7 14.7 24.7 5 5 A V E -B 56 0B 39 -2,-0.3 2,-0.9 51,-0.2 51,-0.2 -0.999 12.4-139.9-133.9 134.7 2.8 11.3 23.5 6 6 A D >> - 0 0 89 49,-2.6 4,-1.5 -2,-0.4 3,-1.3 -0.845 12.1-157.7 -94.2 105.7 1.7 8.2 25.4 7 7 A A T 34 S+ 0 0 53 -2,-0.9 -1,-0.2 1,-0.3 25,-0.1 0.813 89.1 59.6 -52.1 -35.6 3.4 5.3 23.7 8 8 A D T 34 S+ 0 0 156 1,-0.2 -1,-0.3 -3,-0.1 47,-0.0 0.813 109.4 41.9 -66.1 -30.4 0.9 2.8 25.1 9 9 A A T <4 S+ 0 0 30 -3,-1.3 2,-0.3 46,-0.1 46,-0.2 0.707 93.5 100.8 -87.7 -23.0 -2.0 4.5 23.5 10 10 A C < - 0 0 16 -4,-1.5 -5,-0.0 45,-0.2 41,-0.0 -0.453 46.2-176.3 -68.9 126.1 -0.2 5.1 20.2 11 11 A I - 0 0 110 -2,-0.3 -1,-0.1 20,-0.0 20,-0.1 0.359 44.0-117.6-101.5 3.4 -1.2 2.6 17.5 12 12 A G + 0 0 16 1,-0.1 19,-0.1 2,-0.0 -2,-0.1 0.741 64.7 143.9 68.7 28.8 1.3 4.0 14.9 13 13 A C - 0 0 68 1,-0.1 13,-0.1 17,-0.0 -1,-0.1 0.862 53.0-136.5 -67.1 -37.4 -1.3 5.1 12.4 14 14 A G > + 0 0 9 11,-0.1 4,-1.8 16,-0.1 3,-0.4 0.482 62.3 129.9 94.4 4.5 0.7 8.1 11.3 15 15 A V H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.873 72.2 55.9 -58.4 -37.5 -2.2 10.6 11.2 16 16 A C H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 8,-0.3 0.865 106.8 49.6 -63.7 -35.9 -0.3 13.1 13.4 17 17 A E H 4 S+ 0 0 70 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.879 109.1 52.5 -69.5 -39.2 2.6 13.1 10.9 18 18 A N H < S+ 0 0 135 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.8 36.2 -60.5 -44.9 0.2 13.7 8.0 19 19 A L H < S+ 0 0 77 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.785 136.3 14.6 -80.4 -31.4 -1.2 16.7 9.8 20 20 A a >X + 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 3,-2.1 -0.424 63.9 168.3-149.3 66.8 1.8 18.2 11.4 21 21 A P T 34 S+ 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.677 77.5 59.3 -55.5 -24.7 5.0 16.7 10.0 22 22 A D T 34 S+ 0 0 106 1,-0.1 3,-0.1 -5,-0.1 -5,-0.1 0.672 117.1 31.4 -81.8 -14.2 7.3 19.3 11.6 23 23 A V T <4 S+ 0 0 0 -3,-2.1 12,-2.3 1,-0.2 13,-0.9 0.741 121.8 41.9-110.2 -33.1 6.1 18.2 15.1 24 24 A F E < +C 34 0C 0 -4,-2.6 2,-0.4 -8,-0.3 -1,-0.2 -0.931 54.2 178.8-123.6 144.5 5.3 14.5 14.7 25 25 A Q E -C 33 0C 78 8,-2.0 8,-2.4 -2,-0.4 2,-0.8 -0.999 29.4-129.3-142.3 133.1 7.1 11.7 12.9 26 26 A L E -C 32 0C 55 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.774 36.5-145.2 -81.9 110.3 6.1 8.0 12.8 27 27 A G > - 0 0 17 4,-3.1 3,-1.6 -2,-0.8 4,-0.2 -0.173 23.6-101.3 -71.3 173.3 9.3 6.2 13.8 28 28 A D T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.775 118.7 64.3 -66.2 -27.4 10.5 2.8 12.5 29 29 A D T 3 S- 0 0 129 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.359 120.9-105.6 -77.8 4.9 9.3 1.1 15.6 30 30 A G S < S+ 0 0 35 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.827 85.3 111.6 76.0 30.3 5.7 2.0 14.7 31 31 A K S S- 0 0 72 -4,-0.2 -4,-3.1 -19,-0.1 -1,-0.3 -0.962 70.7-104.7-133.6 151.7 5.3 4.7 17.3 32 32 A A E -C 26 0C 20 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.456 29.4-155.3 -75.4 148.9 5.0 8.5 17.0 33 33 A K E -C 25 0C 102 -8,-2.4 -8,-2.0 -2,-0.1 2,-0.9 -0.969 13.6-133.0-124.3 138.3 7.9 10.6 17.9 34 34 A V E -C 24 0C 33 -2,-0.4 -10,-0.2 -10,-0.2 -11,-0.1 -0.844 22.1-179.8 -97.3 104.1 7.6 14.3 19.1 35 35 A L S S+ 0 0 73 -12,-2.3 -1,-0.2 -2,-0.9 -11,-0.2 0.757 80.8 36.7 -73.0 -28.6 10.1 16.3 17.1 36 36 A Q + 0 0 66 -13,-0.9 -1,-0.3 1,-0.1 -33,-0.1 -0.778 64.9 179.7-128.7 84.9 9.1 19.6 18.8 37 37 A P S S+ 0 0 66 0, 0.0 -34,-3.1 0, 0.0 2,-0.4 0.726 84.9 35.5 -56.5 -24.9 8.3 18.9 22.5 38 38 A E B S+A 2 0A 125 -36,-0.2 2,-0.3 -3,-0.1 -36,-0.2 -0.991 86.2 153.3-131.3 117.8 7.6 22.6 22.9 39 39 A T - 0 0 7 -38,-2.3 -16,-0.0 -2,-0.4 -3,-0.0 -0.952 45.1-152.6-145.3 163.5 6.0 24.2 19.9 40 40 A D + 0 0 130 -2,-0.3 -1,-0.1 4,-0.0 -38,-0.1 0.327 57.0 126.7-114.5 0.1 3.8 27.1 18.8 41 41 A L > - 0 0 49 1,-0.2 3,-2.1 -40,-0.1 4,-0.5 -0.448 55.8-146.8 -67.0 119.4 2.5 25.3 15.7 42 42 A P T >> S+ 0 0 92 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.804 94.7 71.2 -55.0 -30.2 -1.4 25.3 15.6 43 43 A a H 3> S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.720 82.5 70.8 -62.6 -18.5 -1.2 21.9 13.8 44 44 A A H <> S+ 0 0 0 -3,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.911 101.6 44.9 -63.0 -39.5 -0.0 20.3 17.1 45 45 A K H <> S+ 0 0 115 -3,-1.0 4,-2.4 -4,-0.5 -1,-0.2 0.891 112.1 51.7 -68.6 -44.1 -3.5 20.8 18.5 46 46 A D H X S+ 0 0 94 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.909 109.4 49.4 -59.9 -44.1 -5.1 19.6 15.3 47 47 A A H X S+ 0 0 1 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.902 110.5 51.5 -62.7 -41.0 -3.0 16.4 15.3 48 48 A A H >< S+ 0 0 16 -4,-1.8 3,-0.7 1,-0.2 8,-0.3 0.927 109.9 48.6 -61.2 -45.9 -4.0 15.8 19.0 49 49 A D H 3< S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.745 114.0 48.0 -66.7 -23.3 -7.7 16.2 18.2 50 50 A S H 3< S+ 0 0 60 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.555 79.6 113.9 -94.4 -11.2 -7.3 13.8 15.3 51 51 A C X< - 0 0 27 -4,-1.0 3,-0.8 -3,-0.7 -41,-0.0 -0.503 62.5-144.4 -64.5 124.5 -5.4 11.1 17.1 52 52 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -42,-0.0 0.608 95.7 34.3 -66.3 -15.1 -7.8 8.0 17.2 53 53 A T T 3 S- 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -43,-0.0 0.328 105.6-117.2-121.8 2.4 -6.6 6.9 20.7 54 54 A G < + 0 0 55 -3,-0.8 -44,-0.1 -6,-0.2 -45,-0.1 0.766 65.3 144.2 65.7 27.8 -6.0 10.3 22.4 55 55 A A + 0 0 5 -46,-0.2 -49,-2.6 -50,-0.1 2,-0.4 0.704 50.9 74.9 -69.7 -24.4 -2.3 9.4 22.8 56 56 A I E -B 5 0B 14 -8,-0.3 2,-0.4 -51,-0.2 -51,-0.2 -0.782 60.9-172.0 -94.4 135.3 -1.2 12.9 22.2 57 57 A S E B 4 0B 71 -53,-2.4 -53,-2.3 -2,-0.4 -2,-0.0 -0.992 360.0 360.0-127.3 131.5 -1.6 15.6 24.8 58 58 A V 0 0 74 -2,-0.4 -55,-0.2 -55,-0.2 -2,-0.0 -0.992 360.0 360.0-120.9 360.0 -1.0 19.3 24.1