==== 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 1M2B . 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) . 10256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 71.3 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 . 9 4.5 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 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 3 A F 0 0 114 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 130.0 9.2 0.8 43.2 2 4 A K E -a 46 0A 46 43,-2.0 45,-2.0 65,-0.1 2,-0.5 -0.960 360.0-154.5-129.5 146.1 6.1 2.8 42.2 3 5 A H E -aB 47 66A 0 63,-2.8 63,-2.8 -2,-0.4 2,-0.5 -0.981 10.8-161.9-122.6 114.4 5.9 5.9 40.1 4 6 A V E -aB 48 65A 0 43,-3.1 45,-3.0 -2,-0.5 2,-0.5 -0.903 1.3-164.0-102.7 124.8 2.9 8.2 40.7 5 7 A F E -aB 49 64A 0 59,-2.8 59,-2.5 -2,-0.5 2,-0.5 -0.957 3.8-169.8-111.1 124.0 2.0 10.8 38.1 6 8 A V E -aB 50 63A 0 43,-2.4 45,-2.5 -2,-0.5 2,-0.4 -0.953 21.9-130.9-116.7 119.5 -0.4 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 -0.600 29.7 171.4 -68.7 123.5 -1.8 15.9 36.5 8 10 A V + 0 0 22 43,-2.9 44,-0.2 -2,-0.4 -1,-0.1 0.108 24.4 146.2-117.7 16.2 -1.3 19.5 37.6 9 11 A Q - 0 0 52 42,-0.4 12,-2.5 12,-0.1 13,-0.4 -0.312 29.3-163.9 -55.8 131.4 -2.3 21.1 34.3 10 12 A D - 0 0 81 11,-0.2 43,-0.1 10,-0.2 -2,-0.1 -0.834 5.7-171.5-113.0 157.7 -4.1 24.4 34.5 11 13 A R - 0 0 76 -2,-0.3 8,-0.1 4,-0.1 11,-0.0 -0.952 32.9 -90.4-141.8 154.0 -6.1 26.0 31.7 12 14 A P > - 0 0 96 0, 0.0 3,-2.0 0, 0.0 6,-0.1 -0.296 50.8-100.4 -62.3 156.8 -7.8 29.3 31.1 13 15 A P T 3 S+ 0 0 131 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 0.727 115.8 62.4 -56.8 -27.7 -11.4 29.5 32.2 14 16 A G T 3 + 0 0 70 3,-0.0 3,-0.0 4,-0.0 0, 0.0 0.571 68.5 117.3 -76.2 -9.8 -13.0 29.0 28.8 15 17 A H X - 0 0 59 -3,-2.0 3,-2.0 1,-0.2 -4,-0.1 -0.429 61.5-145.1 -67.0 118.6 -11.5 25.5 28.2 16 18 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.847 96.1 47.2 -58.4 -35.1 -14.6 23.3 27.9 17 19 A Q T 3 S- 0 0 85 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.495 97.4-150.4 -84.4 -4.2 -13.0 20.3 29.6 18 20 A G < - 0 0 7 -3,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.363 21.6 -94.3 64.5-150.3 -11.6 22.3 32.5 19 21 A S > - 0 0 2 38,-0.1 4,-1.1 1,-0.1 6,-0.1 -0.991 16.4-110.7-160.1 161.1 -8.4 21.1 34.0 20 22 A C T 4>S+ 0 0 3 -2,-0.3 5,-2.5 -11,-0.3 3,-0.4 0.906 117.4 56.9 -68.5 -35.7 -7.1 19.0 36.9 21 23 A A T >45S+ 0 0 17 -12,-2.5 3,-1.9 1,-0.2 5,-0.3 0.936 104.5 52.0 -60.9 -40.8 -5.7 22.0 38.7 22 24 A Q T 345S+ 0 0 91 -13,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 108.3 52.9 -63.0 -25.8 -9.2 23.6 38.6 23 25 A R T 3<5S- 0 0 93 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.276 130.7 -93.1 -97.4 14.0 -10.5 20.4 40.2 24 26 A G T X>5S+ 0 0 17 -3,-1.9 4,-1.4 -5,-0.1 3,-0.6 0.594 78.6 138.8 93.1 17.9 -8.0 20.6 43.0 25 27 A S H 3>< + 0 0 0 -5,-2.5 4,-2.7 1,-0.2 -4,-0.2 0.745 65.4 63.6 -74.0 -20.3 -5.1 18.5 41.7 26 28 A R H 3> S+ 0 0 117 -5,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.860 106.1 47.6 -66.6 -33.2 -2.3 20.8 42.9 27 29 A E H <> S+ 0 0 93 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.839 109.6 53.1 -70.3 -33.6 -3.6 20.0 46.5 28 30 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.943 111.5 46.1 -61.4 -51.4 -3.6 16.3 45.5 29 31 A F H X S+ 0 0 45 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.953 111.7 51.2 -57.9 -47.8 0.0 16.5 44.4 30 32 A Q H X S+ 0 0 104 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.898 109.2 51.6 -55.9 -43.1 1.0 18.5 47.5 31 33 A A H X S+ 0 0 19 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.897 110.2 47.0 -65.1 -41.8 -0.7 15.7 49.6 32 34 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.939 112.5 51.1 -64.7 -44.9 1.3 12.9 47.9 33 35 A M H X S+ 0 0 89 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.924 110.4 48.3 -60.6 -45.1 4.5 15.0 48.3 34 36 A E H < S+ 0 0 112 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.5 46.1 -63.0 -39.0 3.8 15.5 52.1 35 37 A K H >X S+ 0 0 55 -4,-2.3 4,-1.0 -5,-0.2 3,-1.0 0.994 105.4 56.3 -63.9 -57.7 3.1 11.8 52.7 36 38 A I H 3< S+ 0 0 13 -4,-2.2 7,-0.3 1,-0.3 -1,-0.2 0.754 116.9 41.3 -54.0 -27.9 6.0 10.2 50.8 37 39 A Q T 3< S+ 0 0 97 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 -0.382 109.1 48.0-144.5 90.6 8.2 12.3 52.9 38 40 A T T <4 S+ 0 0 106 -3,-1.0 -2,-0.2 -2,-0.1 -1,-0.2 -0.475 110.2 72.9-127.1 -8.4 6.9 12.2 56.4 39 41 A D X - 0 0 21 -4,-1.0 4,-2.5 1,-0.2 5,-0.2 -0.929 64.4-166.3-124.2 102.9 6.8 8.4 55.6 40 42 A P H > S+ 0 0 104 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.936 89.3 51.1 -54.2 -53.2 10.2 6.6 55.4 41 43 A Q H 4 S+ 0 0 129 1,-0.2 4,-0.4 2,-0.2 -5,-0.1 0.876 114.5 44.0 -55.8 -41.7 8.8 3.4 53.8 42 44 A L H >> S+ 0 0 2 1,-0.2 3,-1.8 -7,-0.2 4,-1.2 0.961 108.4 59.2 -62.8 -46.0 7.1 5.5 51.0 43 45 A F H 3< S+ 0 0 102 -4,-2.5 3,-0.2 -7,-0.3 -2,-0.2 0.819 104.2 48.8 -55.2 -39.6 10.1 7.7 50.5 44 46 A M T 3< S+ 0 0 155 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.561 122.6 28.8 -79.8 -9.9 12.5 5.0 49.6 45 47 A T T <4 S+ 0 0 54 -3,-1.8 -43,-2.0 -4,-0.4 2,-0.4 0.434 107.2 71.4-134.8 7.9 10.4 3.3 47.0 46 48 A T E < -a 2 0A 10 -4,-1.2 2,-0.4 -45,-0.2 -43,-0.2 -0.992 48.9-164.9-134.0 137.7 8.1 5.9 45.5 47 49 A V E -a 3 0A 35 -45,-2.0 -43,-3.1 -2,-0.4 2,-0.5 -0.975 8.7-158.7-117.1 135.5 8.5 8.8 43.1 48 50 A I E -a 4 0A 14 -2,-0.4 -43,-0.2 -45,-0.2 -45,-0.0 -0.975 14.2-175.7-117.1 121.1 5.8 11.5 42.7 49 51 A T E -a 5 0A 0 -45,-3.0 -43,-2.4 -2,-0.5 2,-0.3 -0.976 19.3-137.8-124.4 127.0 5.9 13.4 39.5 50 52 A P E -a 6 0A 27 0, 0.0 104,-2.8 0, 0.0 2,-0.3 -0.640 31.5-174.7 -81.8 143.9 3.7 16.4 38.4 51 53 A T E -aC 7 153A 4 -45,-2.5 -43,-2.9 -2,-0.3 -42,-0.4 -0.844 27.9-111.0-131.8 163.4 2.5 16.3 34.8 52 54 A G S S- 0 0 13 100,-2.7 -1,-0.1 -2,-0.3 102,-0.0 -0.265 74.8 -42.9 -73.3 179.8 0.7 18.2 32.0 53 55 A S - 0 0 15 1,-0.1 -1,-0.2 -43,-0.1 -43,-0.0 -0.120 40.5-161.9 -56.4 138.8 -2.7 16.8 30.9 54 56 A M - 0 0 6 -3,-0.1 -1,-0.1 97,-0.1 97,-0.0 0.033 50.2-107.4-106.3 22.2 -3.0 13.1 30.4 55 57 A N S S+ 0 0 119 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.694 99.2 97.2 65.1 33.2 -6.1 13.6 28.2 56 58 A A > + 0 0 17 1,-0.1 3,-2.5 2,-0.0 -1,-0.1 -0.252 44.1 147.3-127.7 43.5 -8.8 12.4 30.7 57 59 A C G > + 0 0 19 1,-0.3 3,-1.7 2,-0.2 -38,-0.1 0.781 61.4 55.1 -60.9 -39.8 -9.6 15.9 31.9 58 60 A M G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -40,-0.1 -39,-0.1 0.617 107.6 53.8 -76.0 -5.9 -13.3 15.6 32.6 59 61 A M G < S+ 0 0 96 -3,-2.5 15,-1.8 13,-0.1 -1,-0.3 0.134 103.1 178.2-105.4 15.6 -12.5 12.7 35.0 60 62 A G < + 0 0 7 -3,-1.7 2,-0.1 13,-0.3 13,-0.1 -0.139 49.1 63.1 -74.8 167.9 -10.0 14.7 36.9 61 63 A P S S- 0 0 6 0, 0.0 14,-2.0 0, 0.0 2,-0.4 0.397 78.0-160.6 -62.8 133.9 -8.0 15.0 39.1 62 64 A V + 0 0 2 11,-0.2 -55,-2.3 -55,-0.1 2,-0.4 -0.801 15.7 177.2 -95.3 128.7 -6.2 12.3 37.2 63 65 A V E -BD 6 72A 0 9,-2.0 9,-3.3 -2,-0.4 2,-0.4 -1.000 8.1-165.2-131.7 128.7 -3.5 10.2 39.0 64 66 A V E -BD 5 71A 0 -59,-2.5 -59,-2.8 -2,-0.4 2,-0.5 -0.966 4.6-156.4-121.6 134.6 -1.6 7.3 37.3 65 67 A V E >> -BD 4 70A 0 5,-2.6 5,-1.9 -2,-0.4 4,-1.8 -0.952 25.0-129.5-112.5 122.9 0.5 4.7 39.0 66 68 A Y E 45S+B 3 0A 2 -63,-2.8 -63,-2.8 -2,-0.5 102,-0.0 -0.816 77.1 18.8-118.2 156.7 3.1 2.8 37.2 67 69 A P T 45S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -65,-0.1 -0.999 124.1 59.4 -78.4 -1.1 4.3 0.2 36.4 68 70 A D T 45S- 0 0 61 1,-0.1 -2,-0.3 2,-0.1 -66,-0.0 0.817 94.2-137.2 -52.3 -37.5 0.9 -1.1 37.5 69 71 A G T <5 + 0 0 12 -4,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.838 44.7 156.7 79.2 29.0 -1.0 1.0 35.0 70 72 A V E < -D 65 0A 7 -5,-1.9 -5,-2.6 31,-0.2 2,-0.5 -0.852 25.6-161.0 -94.6 120.2 -3.7 2.1 37.3 71 73 A W E -DE 64 100A 31 29,-3.0 28,-3.0 -2,-0.6 29,-1.6 -0.920 6.5-165.2-100.2 124.9 -5.5 5.3 36.3 72 74 A Y E -DE 63 98A 0 -9,-3.3 -9,-2.0 -2,-0.5 2,-0.3 -0.870 3.6-168.3-105.5 146.8 -7.5 7.1 39.0 73 75 A G + 0 0 0 24,-2.4 -13,-0.3 -2,-0.4 -11,-0.2 -0.854 62.5 24.5-127.4 164.4 -10.0 9.8 38.5 74 76 A Q S S+ 0 0 139 -15,-1.8 2,-0.3 -2,-0.3 -14,-0.2 0.759 76.9 178.2 57.8 31.3 -11.8 12.4 40.7 75 77 A V - 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0 0 7 1,-0.2 3,-1.8 2,-0.0 4,-0.7 -0.665 34.4-160.7 -73.5 91.3 -8.5 1.8 45.6 95 97 A E G >4 S+ 0 0 170 -2,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.825 79.0 65.0 -55.0 -40.3 -11.3 0.4 43.4 96 98 A R G 34 S+ 0 0 147 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.721 108.5 40.6 -62.1 -19.0 -13.8 3.2 43.9 97 99 A L G <4 S+ 0 0 12 -3,-1.8 -24,-2.4 -18,-0.1 -1,-0.3 0.463 86.2 116.8-106.2 -5.2 -11.5 5.7 42.2 98 100 A V E << +E 72 0A 38 -3,-1.2 -26,-0.3 -4,-0.7 3,-0.1 -0.508 28.5 170.3 -71.0 133.4 -10.1 3.7 39.3 99 101 A I E + 0 0 61 -28,-3.0 2,-0.3 1,-0.4 -27,-0.2 0.614 69.7 3.5-110.3 -20.9 -11.0 4.8 35.8 100 102 A S E E 71 0A 59 -29,-1.6 -29,-3.0 -27,-0.0 -1,-0.4 -0.973 360.0 360.0-158.5 150.1 -8.7 2.4 33.9 101 103 A K 0 0 190 -2,-0.3 -31,-0.2 -31,-0.2 -32,-0.1 -0.990 360.0 360.0-120.8 360.0 -6.3 -0.5 34.4 102 !* 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 0 129 0, 0.0 2,-0.4 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 128.2 0.0 0.4 24.9 104 4 B K E -f 148 0A 39 43,-2.2 45,-2.0 65,-0.1 2,-0.5 -0.995 360.0-157.3-136.0 142.0 3.0 2.7 25.9 105 5 B H E -fG 149 168A 0 63,-2.8 63,-2.9 -2,-0.4 2,-0.5 -0.982 12.5-162.5-123.0 114.8 3.1 5.8 27.9 106 6 B V E -fG 150 167A 0 43,-3.1 45,-3.0 -2,-0.5 2,-0.5 -0.899 0.4-162.6-107.2 125.6 6.1 8.1 27.3 107 7 B F E -fG 151 166A 0 59,-3.0 59,-2.5 -2,-0.5 2,-0.5 -0.944 4.2-169.6-110.8 123.7 7.0 10.7 29.9 108 8 B V E -fG 152 165A 0 43,-2.5 45,-2.3 -2,-0.5 2,-0.4 -0.966 21.0-132.2-116.9 118.8 9.3 13.5 28.8 109 9 B C E +f 153 0A 2 55,-2.3 45,-0.2 -2,-0.5 55,-0.2 -0.555 29.0 171.6 -70.0 125.8 10.7 15.9 31.5 110 10 B V + 0 0 26 43,-2.8 44,-0.2 -2,-0.4 -1,-0.1 0.080 23.8 147.5-118.2 20.1 10.2 19.5 30.3 111 11 B Q - 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