==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 12-FEB-03 1NYK . COMPND 2 MOLECULE: RIESKE IRON-SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR L.M.HUNSICKER-WANG,A.HEINE,Y.CHEN,E.P.LUNA,T.TODARO, . 312 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 60.3 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 . 96 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 . 4 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 . 24 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 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 . 12 2 8 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 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 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 46 A T >> 0 0 112 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 151.6 26.8 -19.9 47.5 2 47 A P G >4 + 0 0 75 0, 0.0 3,-0.9 0, 0.0 50,-0.1 0.856 360.0 56.8 -54.3 -35.6 25.8 -18.1 44.2 3 48 A E G 34 S+ 0 0 95 1,-0.2 49,-2.2 47,-0.1 50,-0.9 0.680 107.9 48.4 -72.6 -15.7 22.4 -17.3 45.7 4 49 A K G <4 S+ 0 0 119 -3,-1.8 -1,-0.2 48,-0.3 46,-0.1 0.376 83.0 122.7-102.6 2.2 24.2 -15.5 48.6 5 50 A E << - 0 0 60 -3,-0.9 48,-0.2 -4,-0.5 3,-0.1 -0.330 69.1-100.2 -63.9 149.0 26.6 -13.5 46.4 6 51 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 50,-0.1 -0.305 42.7 -89.3 -66.4 149.3 26.4 -9.7 46.9 7 52 A L - 0 0 7 43,-0.1 141,-0.1 48,-0.1 36,-0.0 -0.270 47.6-162.8 -48.4 138.9 24.6 -7.4 44.5 8 53 A K > - 0 0 85 -3,-0.1 3,-2.0 139,-0.1 136,-0.2 -0.961 29.0 -93.0-128.4 145.9 26.8 -6.3 41.6 9 54 A P T 3 S+ 0 0 59 0, 0.0 136,-0.2 0, 0.0 3,-0.1 -0.334 114.6 35.4 -50.3 138.4 26.5 -3.4 39.2 10 55 A G T 3 S+ 0 0 20 134,-3.2 135,-0.1 1,-0.3 2,-0.1 0.185 83.8 140.3 97.2 -11.1 24.8 -4.7 36.1 11 56 A D < - 0 0 4 -3,-2.0 133,-3.0 32,-0.1 -1,-0.3 -0.381 55.2-119.4 -68.5 144.2 22.6 -7.1 38.0 12 57 A I E -AB 42 143A 27 30,-2.5 30,-2.4 131,-0.2 2,-0.5 -0.662 23.3-128.9 -82.0 135.4 19.0 -7.3 36.7 13 58 A L E -A 41 0A 0 129,-2.8 12,-3.2 -2,-0.3 2,-0.3 -0.799 31.6-176.0 -89.3 127.9 16.3 -6.3 39.2 14 59 A V E -AC 40 24A 1 26,-2.9 26,-2.2 -2,-0.5 2,-0.1 -0.861 31.9 -99.5-119.8 153.2 13.6 -8.9 39.6 15 60 A Y E -A 39 0A 46 8,-2.2 8,-0.4 -2,-0.3 24,-0.3 -0.454 55.6 -89.6 -63.9 143.4 10.4 -9.0 41.6 16 61 A A - 0 0 50 22,-2.4 2,-0.3 42,-0.1 -1,-0.1 -0.363 61.2-170.3 -57.1 134.9 10.8 -10.9 44.9 17 62 A Q - 0 0 82 1,-0.2 3,-0.1 -3,-0.1 -1,-0.0 -0.947 34.1-150.4-137.8 148.3 10.0 -14.5 44.1 18 63 A G S S- 0 0 72 1,-0.3 -1,-0.2 -2,-0.3 2,-0.0 0.468 73.4 -39.1 -74.0-135.8 9.2 -17.9 45.5 19 64 A G S S+ 0 0 67 3,-0.0 -1,-0.3 2,-0.0 2,-0.0 -0.191 99.5 61.7 -81.7-175.1 10.3 -20.6 43.1 20 65 A G S S- 0 0 68 -3,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.186 96.8 -26.4 91.3 177.9 9.9 -20.7 39.3 21 66 A E S S- 0 0 167 1,-0.1 2,-0.0 -2,-0.0 -2,-0.0 -0.381 70.7-116.5 -65.4 135.1 11.4 -18.4 36.6 22 67 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.345 18.0-136.0 -70.7 155.5 12.2 -14.8 37.8 23 68 A K - 0 0 104 -8,-0.4 -8,-2.2 -2,-0.0 2,-0.1 -0.951 15.4-137.5-114.1 115.1 10.4 -11.8 36.4 24 69 A P B -C 14 0A 47 0, 0.0 2,-0.7 0, 0.0 -10,-0.3 -0.349 24.7-112.7 -67.4 147.8 12.6 -8.8 35.6 25 70 A I - 0 0 0 -12,-3.2 117,-2.8 117,-0.3 2,-0.4 -0.723 33.1-157.8 -85.5 120.6 11.2 -5.5 36.6 26 71 A R B > -D 141 0A 82 -2,-0.7 3,-1.9 115,-0.2 4,-0.5 -0.798 21.4-128.4-100.1 137.7 10.3 -3.4 33.5 27 72 A L G > S+ 0 0 17 113,-2.2 3,-1.7 -2,-0.4 -1,-0.1 0.876 107.9 58.2 -46.1 -45.0 10.1 0.3 33.6 28 73 A E G 3 S+ 0 0 145 112,-0.4 -1,-0.3 1,-0.3 113,-0.1 0.645 97.2 63.2 -69.5 -11.9 6.7 0.3 32.0 29 74 A E G < S+ 0 0 67 -3,-1.9 2,-0.7 1,-0.1 -1,-0.3 0.617 87.8 80.4 -82.8 -17.6 5.3 -1.9 34.8 30 75 A L < - 0 0 14 -3,-1.7 -1,-0.1 -4,-0.5 31,-0.1 -0.836 69.1-154.6 -97.4 117.5 5.9 0.7 37.4 31 76 A K > - 0 0 135 -2,-0.7 3,-2.4 4,-0.1 31,-0.4 -0.737 30.7-106.8 -84.2 128.9 3.2 3.4 37.6 32 77 A P T 3 S+ 0 0 49 0, 0.0 31,-0.3 0, 0.0 -1,-0.1 -0.284 105.6 21.1 -57.1 131.6 4.5 6.6 39.1 33 78 A G T 3 S+ 0 0 30 29,-2.8 30,-0.1 1,-0.3 3,-0.1 0.265 93.0 126.6 95.6 -12.8 3.1 7.1 42.5 34 79 A D S < S- 0 0 77 -3,-2.4 28,-0.4 28,-0.2 -1,-0.3 -0.307 71.6 -83.6 -73.3 159.7 2.3 3.4 43.1 35 80 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.272 55.1 -99.1 -59.2 151.0 3.6 1.5 46.2 36 81 A F - 0 0 21 25,-0.1 2,-0.3 -3,-0.1 25,-0.2 -0.180 30.6-134.1 -67.2 165.1 7.0 0.1 45.9 37 82 A V E - E 0 60A 37 23,-2.5 23,-2.4 -22,-0.0 2,-0.4 -0.856 17.1-117.9-114.9 150.2 7.8 -3.4 45.1 38 83 A L E + E 0 59A 54 -2,-0.3 -22,-2.4 21,-0.2 2,-0.3 -0.740 43.9 174.0 -84.0 136.0 10.4 -5.7 46.9 39 84 A A E -AE 15 58A 0 19,-2.4 19,-2.8 -2,-0.4 -24,-0.2 -0.932 23.5-153.5-141.7 161.8 13.1 -6.9 44.5 40 85 A Y E -A 14 0A 44 -26,-2.2 -26,-2.9 -2,-0.3 2,-0.3 -0.959 28.8-106.0-131.3 160.6 16.4 -8.7 44.3 41 86 A P E -A 13 0A 0 0, 0.0 9,-3.0 0, 0.0 2,-0.4 -0.634 30.2-159.3 -85.0 143.0 19.4 -8.6 42.0 42 87 A M E -AF 12 49A 15 -30,-2.4 -30,-2.5 -2,-0.3 7,-0.2 -0.975 25.2-114.8-121.3 130.9 19.9 -11.3 39.5 43 88 A D > - 0 0 36 5,-2.6 4,-2.5 -2,-0.4 5,-0.2 -0.518 27.9-139.9 -65.2 125.2 23.2 -12.2 37.8 44 89 A P T 4 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -33,-0.1 0.790 93.6 32.5 -65.6 -28.6 22.5 -11.4 34.1 45 90 A K T 4 S+ 0 0 187 1,-0.1 -2,-0.1 3,-0.1 0, 0.0 0.849 126.2 37.4 -98.6 -33.5 24.3 -14.3 32.6 46 91 A T T 4 S- 0 0 88 2,-0.1 3,-0.1 1,-0.0 -1,-0.1 0.731 91.4-142.8 -86.6 -18.2 23.8 -17.1 35.2 47 92 A K < + 0 0 123 -4,-2.5 2,-0.6 1,-0.3 -1,-0.0 0.539 46.5 151.6 64.0 15.1 20.2 -15.9 36.0 48 93 A V - 0 0 42 -5,-0.2 -5,-2.6 2,-0.0 2,-0.5 -0.675 42.6-140.0 -72.9 117.5 20.9 -16.8 39.6 49 94 A V B -F 42 0A 27 -2,-0.6 2,-1.3 -7,-0.2 3,-0.3 -0.759 7.9-139.2 -83.1 127.8 18.7 -14.5 41.8 50 95 A K > + 0 0 2 -9,-3.0 3,-0.7 -2,-0.5 6,-0.2 -0.262 61.5 127.3 -88.4 47.5 20.8 -13.4 44.8 51 96 A S T 3 + 0 0 52 -2,-1.3 -1,-0.2 1,-0.2 -47,-0.2 0.462 50.9 79.0 -84.8 -4.9 17.9 -13.8 47.2 52 97 A G T 3 S+ 0 0 34 -49,-2.2 2,-0.6 -3,-0.3 -48,-0.3 0.682 86.4 68.3 -76.2 -15.3 19.8 -16.0 49.7 53 98 A E S X S- 0 0 65 -50,-0.9 3,-1.9 -3,-0.7 -1,-0.1 -0.914 72.2-157.0-103.6 113.8 21.5 -12.9 51.1 54 99 A A G > S+ 0 0 53 -2,-0.6 3,-2.3 1,-0.3 31,-0.2 0.769 88.6 68.7 -58.4 -30.3 19.1 -10.6 52.9 55 100 A K G 3 S+ 0 0 88 1,-0.3 -1,-0.3 97,-0.1 31,-0.1 0.451 90.7 63.8 -74.1 0.3 21.3 -7.6 52.4 56 101 A N G < S+ 0 0 6 -3,-1.9 -1,-0.3 -6,-0.2 2,-0.2 0.416 74.7 119.8 -92.0 -2.3 20.5 -7.8 48.7 57 102 A T < - 0 0 3 -3,-2.3 28,-2.6 -17,-0.1 29,-0.4 -0.456 44.7-173.1 -69.0 131.2 16.8 -7.1 49.4 58 103 A L E -EG 39 84A 0 -19,-2.8 -19,-2.4 26,-0.3 2,-0.4 -0.848 24.4-145.7-121.0 154.2 15.6 -3.9 47.6 59 104 A L E -EG 38 83A 0 24,-2.8 24,-2.3 -2,-0.3 2,-0.4 -0.972 20.6-167.7-115.2 142.7 12.6 -1.7 47.4 60 105 A V E +EG 37 82A 0 -23,-2.4 -23,-2.5 -2,-0.4 2,-0.3 -0.995 12.6 163.7-130.8 130.3 11.9 -0.2 44.0 61 106 A A E - G 0 81A 2 20,-2.6 20,-2.9 -2,-0.4 2,-0.4 -0.961 24.9-136.7-144.9 159.7 9.4 2.6 43.4 62 107 A R E + G 0 80A 47 -28,-0.4 -29,-2.8 -31,-0.4 2,-0.3 -0.972 22.5 170.5-125.1 139.7 8.6 5.2 40.7 63 108 A F - 0 0 4 16,-2.1 5,-0.1 -2,-0.4 -2,-0.0 -0.885 49.5 -81.0-132.1 163.9 7.8 8.8 41.0 64 109 A D > - 0 0 82 -2,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.508 48.0-125.1 -58.7 132.2 7.4 11.8 38.7 65 110 A P G > S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.839 108.3 59.7 -57.9 -29.2 11.0 12.8 38.2 66 111 A E G 3 S+ 0 0 146 1,-0.3 -2,-0.0 7,-0.0 7,-0.0 0.669 97.9 60.2 -70.0 -19.1 10.2 16.4 39.3 67 112 A E G < S+ 0 0 93 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.516 86.9 94.5 -86.0 -9.4 9.1 15.1 42.7 68 113 A L S < S- 0 0 12 -3,-1.2 49,-0.2 -4,-0.5 48,-0.1 -0.593 86.1-109.3 -82.9 143.5 12.5 13.5 43.5 69 114 A A >> - 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