==== 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 1M2A . 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, . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 69.6 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 13.7 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 . 8 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 23.5 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 2 0 0 2 0 0 0 0 1 1 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 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 1 A A 0 0 122 0, 0.0 90,-0.1 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0-115.4 8.2 -3.6 48.8 2 2 A E - 0 0 121 45,-0.1 2,-0.3 0, 0.0 46,-0.0 0.375 360.0 -70.4-121.4-106.9 8.9 -2.9 45.1 3 3 A F - 0 0 75 2,-0.0 2,-0.4 46,-0.0 45,-0.2 -0.897 38.4-174.5-161.2 131.0 8.6 0.4 43.3 4 4 A K E -a 48 0A 8 43,-1.9 45,-1.8 -2,-0.3 2,-0.5 -0.977 9.8-156.6-129.8 146.1 5.5 2.5 42.4 5 5 A H E -aB 49 68A 0 63,-2.8 63,-2.9 -2,-0.4 2,-0.5 -0.982 10.0-161.2-126.7 117.1 5.4 5.6 40.4 6 6 A V E -aB 50 67A 0 43,-3.1 45,-2.9 -2,-0.5 2,-0.5 -0.878 1.8-164.3-103.2 124.8 2.4 7.9 40.8 7 7 A F E -aB 51 66A 0 59,-2.9 59,-2.4 -2,-0.5 2,-0.5 -0.969 2.4-168.7-111.4 130.0 1.6 10.6 38.3 8 8 A V E -aB 52 65A 0 43,-2.4 45,-2.5 -2,-0.5 2,-0.4 -0.954 21.3-132.9-118.4 117.7 -0.8 13.4 39.2 9 9 A C E +a 53 0A 3 55,-2.4 45,-0.2 -2,-0.5 55,-0.1 -0.613 29.8 171.0 -70.5 124.1 -2.1 15.6 36.4 10 10 A V + 0 0 29 43,-3.0 44,-0.2 -2,-0.4 -1,-0.1 0.125 24.1 145.0-117.2 19.5 -1.7 19.2 37.7 11 11 A Q - 0 0 63 42,-0.4 12,-2.7 12,-0.1 13,-0.4 -0.271 30.0-164.1 -60.9 136.9 -2.6 20.9 34.3 12 12 A D - 0 0 76 11,-0.2 43,-0.1 10,-0.2 -2,-0.1 -0.873 4.5-169.5-122.4 156.0 -4.5 24.1 34.6 13 13 A R - 0 0 50 -2,-0.3 8,-0.1 4,-0.1 11,-0.0 -0.955 33.8 -91.2-140.9 156.1 -6.4 25.9 31.8 14 14 A P > - 0 0 98 0, 0.0 3,-1.6 0, 0.0 6,-0.1 -0.349 53.6 -97.5 -62.6 156.0 -8.0 29.3 31.3 15 15 A P T 3 S+ 0 0 126 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 0.683 115.1 64.3 -50.7 -27.0 -11.8 29.3 32.4 16 16 A G T 3 + 0 0 68 3,-0.0 3,-0.0 4,-0.0 0, 0.0 0.665 66.7 116.0 -79.0 -13.7 -13.2 28.8 29.0 17 17 A H X - 0 0 68 -3,-1.6 3,-2.0 1,-0.1 -4,-0.1 -0.382 63.5-139.3 -60.9 121.4 -11.9 25.4 28.2 18 18 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.812 99.8 43.3 -47.2 -48.6 -14.9 23.0 27.8 19 19 A Q T 3 S- 0 0 80 1,-0.3 -2,-0.1 -3,-0.0 2,-0.1 0.480 98.4-148.4 -81.8 -1.4 -13.3 20.0 29.6 20 20 A G < - 0 0 8 -3,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.373 23.9 -94.5 66.0-150.4 -11.9 22.2 32.4 21 21 A S > - 0 0 0 1,-0.1 4,-1.1 -8,-0.1 6,-0.1 -0.983 17.9-108.9-157.6 165.4 -8.6 20.9 33.9 22 22 A C T 4>S+ 0 0 5 -2,-0.3 5,-2.6 1,-0.2 3,-0.3 0.893 118.1 55.6 -71.6 -32.3 -7.4 18.8 36.8 23 23 A A T >45S+ 0 0 15 -12,-2.7 3,-1.8 1,-0.3 5,-0.3 0.910 104.8 53.3 -66.2 -37.4 -6.0 21.8 38.6 24 24 A Q T 345S+ 0 0 90 -13,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.793 107.5 53.8 -63.0 -27.8 -9.5 23.5 38.4 25 25 A R T 3<5S- 0 0 95 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.241 131.2 -93.5 -92.4 15.2 -10.8 20.3 40.0 26 26 A G T X>5S+ 0 0 17 -3,-1.8 4,-1.3 -5,-0.1 3,-0.9 0.572 77.4 140.8 89.2 19.1 -8.4 20.5 42.9 27 27 A S H 3>< + 0 0 0 -5,-2.6 4,-2.8 1,-0.3 -4,-0.2 0.729 64.6 61.5 -70.9 -22.6 -5.5 18.4 41.7 28 28 A R H 3> S+ 0 0 119 -5,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.845 105.5 49.0 -72.0 -26.7 -2.6 20.4 42.9 29 29 A E H <> S+ 0 0 100 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.840 109.4 53.1 -75.9 -29.2 -3.9 19.9 46.4 30 30 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.941 111.2 46.3 -65.7 -49.4 -4.1 16.1 45.6 31 31 A F H X S+ 0 0 43 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.947 112.2 50.0 -54.7 -47.6 -0.4 16.3 44.5 32 32 A Q H X S+ 0 0 107 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.929 109.5 52.4 -59.4 -43.0 0.5 18.2 47.6 33 33 A A H X S+ 0 0 18 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.889 109.2 49.2 -61.7 -40.1 -1.3 15.5 49.7 34 34 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.923 111.9 49.0 -63.4 -43.3 0.6 12.7 48.1 35 35 A M H X S+ 0 0 89 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.969 109.2 51.5 -61.3 -51.9 3.9 14.6 48.7 36 36 A E H < S+ 0 0 124 -4,-3.0 3,-0.2 1,-0.2 -1,-0.2 0.895 118.1 39.6 -50.6 -47.8 3.0 15.2 52.4 37 37 A K H >X S+ 0 0 46 -4,-2.3 3,-1.0 1,-0.2 4,-0.8 0.985 106.8 59.8 -65.3 -59.9 2.3 11.4 52.8 38 38 A I H 3< S+ 0 0 11 -4,-3.0 -1,-0.2 1,-0.3 7,-0.2 0.693 117.4 38.9 -46.8 -22.3 5.1 9.9 50.7 39 39 A Q T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.411 106.6 49.4-144.4 79.9 7.3 11.7 53.1 40 40 A T T <4 S+ 0 0 112 -3,-1.0 -2,-0.1 -2,-0.1 -3,-0.1 -0.253 108.5 76.0-169.8 -1.2 6.3 11.8 56.7 41 41 A D X - 0 0 18 -4,-0.8 4,-2.4 1,-0.1 3,-0.5 -0.908 66.1-168.4-128.9 103.5 6.0 8.0 55.9 42 42 A P H > S+ 0 0 98 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.888 85.8 55.4 -55.9 -52.0 9.3 6.1 55.6 43 43 A Q H 4 S+ 0 0 122 1,-0.2 4,-0.4 2,-0.2 -5,-0.1 0.826 115.9 40.5 -52.6 -39.3 8.0 2.9 54.1 44 44 A L H >> S+ 0 0 1 -3,-0.5 3,-1.6 -7,-0.2 4,-1.0 0.935 108.5 58.3 -76.6 -52.1 6.5 4.9 51.2 45 45 A F H 3< S+ 0 0 103 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.851 106.1 50.3 -46.3 -39.3 9.3 7.4 50.6 46 46 A M T 3< S+ 0 0 154 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.762 121.5 30.1 -78.2 -16.8 11.7 4.7 49.9 47 47 A T T <4 S+ 0 0 17 -3,-1.6 -43,-1.9 -4,-0.4 2,-0.4 0.255 108.9 66.6-125.0 10.6 9.6 2.9 47.4 48 48 A T E < -a 4 0A 10 -4,-1.0 2,-0.4 -3,-0.4 -43,-0.2 -0.995 50.1-162.8-141.3 143.2 7.5 5.5 45.7 49 49 A V E -a 5 0A 30 -45,-1.8 -43,-3.1 -2,-0.4 2,-0.5 -0.974 9.5-158.0-124.0 135.6 8.0 8.5 43.4 50 50 A I E -a 6 0A 14 -2,-0.4 -43,-0.2 -45,-0.2 -2,-0.0 -0.990 14.8-177.1-115.9 123.2 5.2 11.1 42.9 51 51 A T E -a 7 0A 0 -45,-2.9 -43,-2.4 -2,-0.5 2,-0.2 -0.974 19.7-137.7-127.3 132.5 5.5 13.2 39.7 52 52 A P E -a 8 0A 28 0, 0.0 104,-2.9 0, 0.0 2,-0.3 -0.629 31.4-177.2 -85.6 148.3 3.3 16.0 38.6 53 53 A T E -aC 9 155A 5 -45,-2.5 -43,-3.0 102,-0.3 -42,-0.4 -0.885 27.5-106.6-137.8 169.0 2.2 16.1 34.9 54 54 A G S S- 0 0 12 100,-2.8 102,-0.0 -2,-0.3 -1,-0.0 -0.293 74.4 -39.4 -79.4-176.8 0.4 17.8 32.1 55 55 A C - 0 0 18 1,-0.2 -1,-0.2 -43,-0.1 -43,-0.0 -0.041 43.0-165.2 -52.6 131.8 -3.0 16.6 30.8 56 56 A M - 0 0 5 -3,-0.1 -1,-0.2 97,-0.1 97,-0.1 0.022 48.6-107.3-106.2 22.7 -3.3 12.9 30.5 57 57 A N S S+ 0 0 116 1,-0.1 3,-0.1 7,-0.0 -2,-0.1 0.798 97.6 95.5 63.1 35.3 -6.4 13.2 28.3 58 58 A A > + 0 0 18 1,-0.1 3,-2.3 -39,-0.0 -1,-0.1 -0.129 42.7 148.9-142.9 46.2 -9.2 12.1 30.6 59 59 A C G > + 0 0 19 1,-0.3 3,-2.0 2,-0.2 -38,-0.1 0.758 62.7 58.0 -53.4 -43.2 -10.1 15.6 31.7 60 60 A M G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -40,-0.1 -39,-0.1 0.678 108.6 48.7 -72.0 -7.9 -13.7 15.1 32.4 61 61 A M G < S+ 0 0 88 -3,-2.3 15,-2.1 13,-0.1 -1,-0.3 0.184 103.2 173.3-110.9 21.9 -12.9 12.4 34.9 62 62 A G < + 0 0 6 -3,-2.0 13,-0.1 13,-0.3 2,-0.1 -0.152 49.8 69.0 -84.9 172.0 -10.3 14.4 36.8 63 63 A P S S- 0 0 6 0, 0.0 14,-1.9 0, 0.0 2,-0.4 0.399 78.1-160.7 -62.3 135.2 -8.4 14.8 38.9 64 64 A V + 0 0 2 11,-0.2 -55,-2.4 -55,-0.1 2,-0.4 -0.786 15.7 176.7 -99.3 128.6 -6.6 12.0 37.1 65 65 A V E -BD 8 74A 0 9,-1.8 9,-3.4 -2,-0.4 2,-0.4 -1.000 8.2-166.1-129.0 133.6 -3.8 10.0 39.0 66 66 A V E -BD 7 73A 0 -59,-2.4 -59,-2.9 -2,-0.4 2,-0.5 -0.969 5.4-155.1-125.9 134.1 -2.1 7.0 37.3 67 67 A V E >> -BD 6 72A 0 5,-2.8 5,-1.8 -2,-0.4 4,-1.7 -0.950 25.5-128.3-112.2 123.6 0.0 4.5 39.1 68 68 A Y E 45S+B 5 0A 2 -63,-2.9 -63,-2.8 -2,-0.5 102,-0.0 -0.776 77.3 18.1-117.1 160.0 2.7 2.5 37.3 69 69 A P T 45S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -65,-0.1 -0.997 124.7 59.6 -73.5 -7.7 3.9 -0.1 36.6 70 70 A D T 45S- 0 0 62 1,-0.1 -2,-0.3 2,-0.1 -66,-0.0 0.804 94.2-139.2 -48.6 -36.8 0.4 -1.3 37.8 71 71 A G T <5 + 0 0 12 -4,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.791 43.8 156.0 77.1 28.6 -1.3 0.8 35.1 72 72 A V E < -D 67 0A 6 -5,-1.8 -5,-2.8 31,-0.2 2,-0.5 -0.797 26.0-161.0 -91.1 121.1 -4.2 1.8 37.5 73 73 A W E -DE 66 102A 31 29,-3.1 28,-3.2 -2,-0.5 29,-1.6 -0.917 6.0-164.8-102.9 130.0 -5.9 5.1 36.4 74 74 A Y E -DE 65 100A 0 -9,-3.4 -9,-1.8 -2,-0.5 2,-0.3 -0.849 3.6-166.9-112.1 148.7 -7.9 6.9 39.1 75 75 A G + 0 0 1 24,-2.4 -13,-0.3 -2,-0.3 -11,-0.2 -0.868 63.0 23.4-132.5 162.4 -10.4 9.7 38.4 76 76 A Q S S+ 0 0 140 -15,-2.1 2,-0.3 -2,-0.3 -14,-0.2 0.798 77.2 177.5 52.8 35.0 -12.2 12.2 40.5 77 77 A V - 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0 0 5 1,-0.2 3,-1.9 2,-0.0 4,-0.6 -0.666 34.3-161.8 -83.3 96.9 -9.0 1.7 45.5 97 97 A E G >4 S+ 0 0 173 -2,-1.4 3,-1.4 1,-0.3 -1,-0.2 0.824 79.2 63.5 -52.6 -41.2 -11.8 0.2 43.4 98 98 A R G 34 S+ 0 0 145 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.705 109.2 39.8 -61.9 -19.3 -14.2 3.1 43.8 99 99 A L G <4 S+ 0 0 15 -3,-1.9 -24,-2.4 -18,-0.1 2,-0.3 0.421 85.9 118.8-107.8 -0.6 -12.0 5.6 42.1 100 100 A V E << +E 74 0A 40 -3,-1.4 -26,-0.3 -4,-0.6 3,-0.1 -0.517 27.5 170.2 -75.2 127.5 -10.6 3.4 39.3 101 101 A I E S+ 0 0 58 -28,-3.2 2,-0.3 1,-0.4 -27,-0.2 0.635 71.1 1.6-104.5 -20.2 -11.4 4.5 35.8 102 102 A S E E 73 0A 61 -29,-1.6 -29,-3.1 -27,-0.0 -1,-0.4 -0.980 360.0 360.0-162.2 147.6 -9.1 2.1 34.0 103 103 A K 0 0 189 -2,-0.3 -31,-0.2 -31,-0.2 -32,-0.1 -0.991 360.0 360.0-126.9 360.0 -6.6 -0.8 34.7 104 !* 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 0.0 105 3 B F 0 0 129 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 136.3 -0.2 0.1 25.1 106 4 B K E -f 150 0A 41 43,-2.3 45,-2.0 65,-0.1 2,-0.5 -0.992 360.0-157.6-135.9 144.4 2.8 2.4 26.1 107 5 B H E -fG 151 170A 0 63,-3.0 63,-3.0 -2,-0.4 2,-0.5 -0.982 12.1-162.9-124.7 115.3 2.8 5.5 28.1 108 6 B V E -fG 152 169A 0 43,-3.3 45,-2.9 -2,-0.5 2,-0.5 -0.903 1.5-164.5-105.5 129.8 5.8 7.8 27.6 109 7 B F E -fG 153 168A 0 59,-2.9 59,-2.6 -2,-0.5 2,-0.5 -0.952 2.2-168.6-116.2 125.1 6.6 10.5 30.1 110 8 B V E -fG 154 167A 0 43,-2.3 45,-2.4 -2,-0.5 2,-0.4 -0.965 21.4-132.0-115.5 123.4 9.0 13.3 29.2 111 9 B C E +f 155 0A 4 55,-2.3 45,-0.2 -2,-0.5 55,-0.1 -0.590 29.1 172.2 -74.6 127.5 10.3 15.6 31.9 112 10 B V + 0 0 38 43,-3.1 44,-0.2 -2,-0.4 -1,-0.2 0.075 23.6 148.7-121.7 21.6 9.9 19.2 30.6 113 11 B Q - 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