==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-JUN-02 1M2D . COMPND 2 MOLECULE: [2FE-2S] FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR A.P.YEH,X.I.AMBROGGIO,S.L.A.ANDRADE,O.EINSLE,C.CHATELET, . 202 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 13 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 5.9 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 2 0 0 0 0 0 1 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 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 PARALLEL BRIDGES PER LADDER . 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A F 0 0 115 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 130.9 9.5 0.8 43.0 2 4 A K E -a 46 0A 37 43,-1.9 45,-1.9 65,-0.1 2,-0.5 -0.975 360.0-154.1-125.7 144.9 6.3 2.7 42.1 3 5 A H E -aB 47 66A 0 63,-3.0 63,-2.9 -2,-0.4 2,-0.5 -0.971 10.1-161.7-122.7 116.3 6.2 5.9 40.0 4 6 A V E -aB 48 65A 0 43,-3.1 45,-3.0 -2,-0.5 2,-0.5 -0.905 1.7-163.6-105.1 123.6 3.2 8.1 40.7 5 7 A F E -aB 49 64A 0 59,-2.9 59,-2.5 -2,-0.5 2,-0.5 -0.952 3.5-169.0-109.9 123.5 2.3 10.7 38.1 6 8 A V E -aB 50 63A 0 43,-2.4 45,-2.3 -2,-0.5 2,-0.4 -0.960 21.5-130.9-116.1 119.1 -0.1 13.6 39.1 7 9 A C E +a 51 0A 2 55,-2.3 45,-0.2 -2,-0.5 55,-0.1 -0.587 29.6 172.0 -68.1 123.0 -1.5 15.8 36.4 8 10 A V + 0 0 27 43,-2.9 44,-0.2 -2,-0.4 -1,-0.1 0.138 26.1 142.8-114.9 12.8 -0.9 19.4 37.6 9 11 A Q - 0 0 56 42,-0.5 12,-2.6 12,-0.1 13,-0.4 -0.286 31.6-163.3 -57.8 134.7 -2.1 21.0 34.3 10 12 A D - 0 0 76 11,-0.2 43,-0.1 10,-0.2 -2,-0.1 -0.819 5.1-168.0-112.1 160.7 -4.0 24.2 34.5 11 13 A R - 0 0 76 -2,-0.3 8,-0.1 4,-0.1 11,-0.0 -0.965 31.4 -90.9-139.9 154.5 -6.1 25.7 31.6 12 14 A P > - 0 0 95 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.208 49.6-101.2 -62.0 157.8 -7.8 29.1 30.9 13 15 A P T 3 S+ 0 0 131 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 0.769 116.2 58.9 -61.2 -27.4 -11.4 29.3 32.1 14 16 A G T 3 S+ 0 0 72 3,-0.0 3,-0.0 4,-0.0 0, 0.0 0.506 71.1 119.4 -83.0 2.4 -13.0 28.8 28.8 15 17 A H X - 0 0 63 -3,-2.0 3,-1.8 1,-0.2 -4,-0.1 -0.547 61.5-142.7 -68.3 121.5 -11.4 25.4 28.1 16 18 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.849 96.8 44.7 -54.1 -43.6 -14.4 23.0 27.8 17 19 A Q T 3 S- 0 0 87 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.492 97.8-150.7 -81.5 -4.0 -12.8 20.0 29.6 18 20 A G < - 0 0 9 -3,-1.8 2,-0.3 -6,-0.2 -1,-0.3 -0.352 22.3 -89.5 64.7-152.6 -11.4 22.2 32.4 19 21 A S > - 0 0 0 38,-0.1 4,-1.0 1,-0.1 6,-0.1 -0.989 14.7-114.4-155.8 160.9 -8.2 21.0 34.1 20 22 A C T >4>S+ 0 0 2 -2,-0.3 5,-2.5 -11,-0.2 3,-0.6 0.899 115.1 56.1 -68.1 -36.0 -6.9 18.9 36.9 21 23 A A G >45S+ 0 0 17 -12,-2.6 3,-1.7 1,-0.2 5,-0.3 0.923 105.2 51.7 -62.2 -40.5 -5.4 22.0 38.7 22 24 A Q G 345S+ 0 0 97 -13,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 108.1 54.2 -62.4 -26.4 -8.9 23.6 38.7 23 25 A R G <<5S- 0 0 96 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.177 130.7 -91.0 -96.2 11.7 -10.2 20.4 40.2 24 26 A G T X>5S+ 0 0 18 -3,-1.7 4,-1.4 52,-0.1 3,-0.6 0.553 80.5 137.5 98.1 17.3 -7.7 20.4 43.1 25 27 A S H 3>< + 0 0 0 -5,-2.5 4,-2.6 1,-0.3 -4,-0.2 0.730 66.1 59.4 -76.5 -21.8 -4.8 18.4 41.7 26 28 A R H 3> S+ 0 0 126 -5,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.869 106.9 49.8 -71.1 -29.8 -1.9 20.6 42.9 27 29 A E H <> S+ 0 0 92 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.833 110.2 51.5 -70.0 -31.2 -3.2 20.0 46.4 28 30 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.946 110.6 47.4 -61.7 -51.0 -3.2 16.2 45.5 29 31 A F H X S+ 0 0 45 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.946 112.4 49.9 -58.1 -49.5 0.4 16.5 44.3 30 32 A Q H X S+ 0 0 104 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.924 108.9 52.6 -56.3 -45.0 1.4 18.4 47.5 31 33 A A H X S+ 0 0 18 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.917 109.6 48.3 -64.3 -40.4 -0.3 15.7 49.7 32 34 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.947 112.6 48.6 -62.3 -47.6 1.6 12.9 47.9 33 35 A M H X S+ 0 0 92 -4,-2.7 4,-1.7 1,-0.2 5,-0.3 0.908 109.3 52.6 -58.5 -43.6 4.8 14.9 48.4 34 36 A E H X S+ 0 0 121 -4,-3.0 4,-1.4 -5,-0.2 -1,-0.2 0.909 116.5 40.7 -63.0 -36.1 4.1 15.5 52.1 35 37 A K H X S+ 0 0 52 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.977 106.6 59.0 -69.9 -53.1 3.5 11.8 52.6 36 38 A I H < S+ 0 0 10 -4,-2.8 7,-0.3 1,-0.2 3,-0.2 0.821 115.1 36.8 -59.3 -32.5 6.3 10.3 50.5 37 39 A Q H < S+ 0 0 87 -4,-1.7 6,-0.3 -5,-0.2 2,-0.2 0.986 108.9 56.4 -89.5 -51.1 8.9 12.1 52.5 38 40 A T H < S+ 0 0 121 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.532 105.5 68.9 -56.0 3.8 7.5 12.0 56.2 39 41 A D X - 0 0 23 -4,-0.9 4,-2.7 -3,-0.2 3,-0.2 -0.915 68.7-163.1-119.3 99.4 7.5 8.2 55.6 40 42 A P H > S+ 0 0 104 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.917 91.3 53.7 -54.0 -44.5 10.9 6.5 55.3 41 43 A Q H 4 S+ 0 0 126 1,-0.2 4,-0.2 2,-0.2 3,-0.1 0.878 113.4 42.5 -63.2 -39.2 9.4 3.3 53.7 42 44 A L H >> S+ 0 0 1 -3,-0.2 3,-1.8 1,-0.2 4,-1.3 0.918 107.6 61.0 -69.4 -41.8 7.7 5.4 51.0 43 45 A F H 3< S+ 0 0 97 -4,-2.7 -2,-0.2 -7,-0.3 -1,-0.2 0.806 104.2 46.9 -58.8 -33.9 10.6 7.6 50.4 44 46 A M T 3< S+ 0 0 157 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.400 122.9 31.2 -95.2 9.4 13.0 4.9 49.3 45 47 A T T <4 S+ 0 0 48 -3,-1.8 -43,-1.9 -4,-0.2 2,-0.3 0.445 107.3 68.6-136.6 6.7 10.7 3.2 46.9 46 48 A T E < -a 2 0A 10 -4,-1.3 2,-0.4 -45,-0.2 -43,-0.2 -0.962 49.7-166.4-137.3 137.1 8.4 5.8 45.4 47 49 A V E -a 3 0A 30 -45,-1.9 -43,-3.1 -2,-0.3 2,-0.5 -0.994 9.1-156.9-121.9 137.7 8.8 8.8 43.1 48 50 A I E -a 4 0A 13 -2,-0.4 -43,-0.2 -45,-0.2 -45,-0.0 -0.974 15.4-176.2-116.3 120.8 6.1 11.4 42.7 49 51 A T E -a 5 0A 0 -45,-3.0 -43,-2.4 -2,-0.5 2,-0.3 -0.972 19.0-138.2-125.3 128.3 6.2 13.4 39.4 50 52 A P E -a 6 0A 26 0, 0.0 104,-2.7 0, 0.0 2,-0.3 -0.644 30.9-176.6 -82.7 145.2 4.0 16.3 38.3 51 53 A T E -aC 7 153A 4 -45,-2.3 -43,-2.9 -2,-0.3 -42,-0.5 -0.856 27.0-110.9-134.2 166.4 2.8 16.3 34.7 52 54 A G S S- 0 0 11 100,-2.7 -1,-0.0 -2,-0.3 102,-0.0 -0.288 73.8 -38.6 -79.9-176.8 0.9 18.1 32.0 53 55 A C - 0 0 19 1,-0.1 -1,-0.2 -43,-0.1 -43,-0.0 -0.085 44.2-165.4 -54.1 134.0 -2.5 16.8 30.7 54 56 A M - 0 0 4 -3,-0.1 -1,-0.1 97,-0.1 97,-0.0 0.071 49.8-104.7-108.7 20.8 -2.8 13.0 30.3 55 57 A N S S+ 0 0 120 1,-0.1 -2,-0.1 94,-0.0 3,-0.0 0.778 102.2 90.0 69.6 31.5 -6.0 13.3 28.2 56 58 A A > + 0 0 18 1,-0.0 3,-2.2 6,-0.0 -1,-0.1 -0.095 44.1 142.4-139.7 37.7 -8.6 12.3 30.8 57 59 A S G > + 0 0 16 1,-0.3 3,-2.0 2,-0.2 -38,-0.1 0.793 62.8 59.7 -60.7 -37.7 -9.3 15.8 32.1 58 60 A M G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -40,-0.1 -39,-0.1 0.663 108.5 48.5 -66.9 -13.7 -13.1 15.5 32.7 59 61 A M G < S+ 0 0 97 -3,-2.2 15,-2.0 13,-0.1 -1,-0.3 0.144 106.4 177.1-105.0 15.3 -12.4 12.6 35.1 60 62 A G < + 0 0 7 -3,-2.0 2,-0.1 13,-0.3 13,-0.1 -0.165 49.8 67.3 -79.6 173.1 -9.7 14.5 37.0 61 63 A P S S- 0 0 6 0, 0.0 14,-1.9 0, 0.0 2,-0.5 0.381 77.2-158.8 -58.9 131.0 -7.7 14.9 39.1 62 64 A V + 0 0 2 11,-0.2 -55,-2.3 -55,-0.1 2,-0.4 -0.814 16.2 177.4 -93.0 127.5 -5.9 12.2 37.2 63 65 A V E -BD 6 72A 0 9,-1.9 9,-3.3 -2,-0.5 2,-0.4 -1.000 8.2-165.0-131.1 129.1 -3.2 10.2 39.0 64 66 A V E -BD 5 71A 0 -59,-2.5 -59,-2.9 -2,-0.4 2,-0.5 -0.962 4.6-156.6-122.0 134.5 -1.3 7.3 37.3 65 67 A V E >> -BD 4 70A 0 5,-2.7 5,-1.9 -2,-0.4 4,-1.7 -0.950 25.3-127.8-113.7 119.5 0.7 4.6 39.0 66 68 A Y E 45S+B 3 0A 2 -63,-2.9 -63,-3.0 -2,-0.5 102,-0.0 -0.806 77.0 16.4-112.8 159.4 3.4 2.7 37.1 67 69 A P T 45S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 -65,-0.1 -1.000 124.4 59.5 -75.5 -0.9 4.5 0.2 36.3 68 70 A D T 45S- 0 0 74 1,-0.1 -2,-0.3 2,-0.1 -66,-0.0 0.802 94.3-138.0 -53.5 -35.8 1.1 -1.1 37.5 69 71 A G T <5 + 0 0 13 -4,-1.7 2,-0.6 1,-0.3 -3,-0.2 0.804 43.6 156.8 77.4 29.1 -0.7 0.9 35.0 70 72 A V E < -D 65 0A 6 -5,-1.9 -5,-2.7 31,-0.2 2,-0.5 -0.800 25.7-160.4 -91.7 122.2 -3.5 2.0 37.4 71 73 A W E -DE 64 100A 31 29,-3.0 28,-3.1 -2,-0.6 29,-1.5 -0.920 7.5-165.0-102.4 123.9 -5.2 5.2 36.3 72 74 A Y E -DE 63 98A 0 -9,-3.3 -9,-1.9 -2,-0.5 2,-0.3 -0.854 3.5-167.7-103.6 146.7 -7.1 7.1 39.1 73 75 A G + 0 0 0 24,-2.6 -13,-0.3 -2,-0.4 -11,-0.2 -0.841 62.7 24.3-126.5 164.8 -9.7 9.8 38.6 74 76 A Q S S+ 0 0 131 -15,-2.0 2,-0.3 -2,-0.3 -14,-0.2 0.778 76.5 177.7 59.1 29.5 -11.4 12.3 40.8 75 77 A V - 0 0 1 -14,-1.9 -1,-0.2 -3,-0.1 -47,-0.1 -0.502 11.0-163.7 -72.5 130.7 -8.7 12.1 43.3 76 78 A K >> - 0 0 128 -2,-0.3 3,-2.1 1,-0.1 4,-0.5 -0.759 33.8-113.5-101.6 155.0 -9.1 14.5 46.3 77 79 A P G >4 S+ 0 0 47 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.894 118.9 61.6 -53.4 -34.7 -6.3 15.4 48.7 78 80 A E G 34 S+ 0 0 149 1,-0.3 4,-0.3 2,-0.1 3,-0.1 0.621 99.3 56.2 -67.4 -13.7 -8.2 13.5 51.3 79 81 A D G <> S+ 0 0 14 -3,-2.1 4,-2.1 1,-0.1 -1,-0.3 0.564 82.6 85.6 -91.4 -12.3 -7.8 10.3 49.2 80 82 A V H S+ 0 0 85 -4,-0.5 4,-2.9 1,-0.2 5,-0.3 0.921 108.1 48.3 -59.8 -42.6 -3.6 8.6 52.4 82 84 A E H >>S+ 0 0 75 -4,-0.3 4,-2.6 1,-0.2 5,-0.7 0.910 112.3 48.7 -64.8 -42.4 -5.7 5.6 51.3 83 85 A I H X>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 4,-1.6 0.945 114.1 46.9 -63.1 -43.1 -3.8 5.4 48.0 84 86 A V H <>S+ 0 0 0 -4,-2.8 5,-2.3 3,-0.2 6,-0.3 0.946 119.9 38.4 -59.4 -51.7 -0.5 5.5 49.9 85 87 A E H <>S+ 0 0 83 -4,-2.9 5,-1.4 -5,-0.2 -2,-0.2 0.967 126.4 31.6 -65.9 -54.4 -1.5 2.9 52.5 86 88 A K H <5S+ 0 0 110 -4,-2.6 6,-2.8 -5,-0.3 -3,-0.2 0.903 134.7 19.1 -77.2 -43.0 -3.5 0.5 50.4 87 89 A H T X> - 0 0 5 1,-0.2 3,-1.9 2,-0.0 4,-0.6 -0.675 35.9-160.9 -82.1 90.6 -8.1 1.8 45.6 95 97 A E G >4 S+ 0 0 174 -2,-1.3 3,-1.3 1,-0.3 -1,-0.2 0.820 79.5 63.0 -53.2 -40.6 -10.9 0.4 43.5 96 98 A R G 34 S+ 0 0 140 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.696 108.6 42.2 -64.5 -20.4 -13.4 3.2 44.0 97 99 A L G <4 S+ 0 0 10 -3,-1.9 -24,-2.6 -18,-0.1 2,-0.3 0.409 85.7 117.9-102.6 -4.1 -11.1 5.7 42.2 98 100 A V E << +E 72 0A 40 -3,-1.3 -26,-0.3 -4,-0.6 3,-0.1 -0.503 28.5 170.0 -71.6 131.8 -9.9 3.6 39.3 99 101 A I E S+ 0 0 61 -28,-3.1 2,-0.3 1,-0.4 -27,-0.2 0.640 72.0 4.1-106.7 -21.7 -10.7 4.7 35.8 100 102 A S E E 71 0A 59 -29,-1.5 -29,-3.0 -27,-0.0 -1,-0.4 -0.961 360.0 360.0-156.8 144.3 -8.4 2.2 34.0 101 103 A K 0 0 207 -2,-0.3 -31,-0.2 -31,-0.2 -32,-0.1 -1.000 360.0 360.0-115.1 360.0 -6.2 -0.7 34.7 102 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 103 3 B F 0 0 125 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 131.4 0.0 0.4 25.0 104 4 B K E -f 148 0A 44 43,-1.9 45,-2.1 40,-0.1 2,-0.5 -0.988 360.0-157.9-134.3 142.8 3.1 2.6 25.8 105 5 B H E -fG 149 168A 0 63,-2.9 63,-2.9 -2,-0.4 2,-0.5 -0.980 10.2-162.9-126.2 114.1 3.3 5.7 27.9 106 6 B V E -fG 150 167A 0 43,-3.0 45,-2.9 -2,-0.5 2,-0.5 -0.901 0.4-163.4-104.6 126.2 6.3 8.0 27.2 107 7 B F E -fG 151 166A 0 59,-2.9 59,-2.5 -2,-0.5 2,-0.5 -0.945 4.1-169.8-112.3 123.5 7.2 10.7 29.8 108 8 B V E -fG 152 165A 0 43,-2.5 45,-2.3 -2,-0.5 2,-0.4 -0.969 21.5-131.1-116.0 119.9 9.5 13.5 28.7 109 9 B C E +f 153 0A 2 55,-2.2 45,-0.2 -2,-0.5 55,-0.2 -0.567 29.6 171.2 -69.4 125.0 10.9 15.8 31.4 110 10 B V + 0 0 36 43,-2.8 44,-0.2 -2,-0.4 -1,-0.1 0.127 25.2 144.2-118.1 16.6 10.4 19.4 30.2 111 11 B Q - 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