==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-NOV-06 2NVG . COMPND 2 MOLECULE: UBIQUINOL-CYTOCHROME C REDUCTASE IRON-SULFUR SUBU . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR D.KOLLING,J.BRUNZELLE,S.LHEE,A.R.CROFTS,S.K.NAIR . 141 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 15 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 1 1 0 1 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 2 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 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 47 A L 0 0 154 0, 0.0 140,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 29.9 13.8 1.0 12.9 2 48 A A + 0 0 65 2,-0.0 20,-0.2 19,-0.0 138,-0.1 0.797 360.0 110.2 -68.7 -29.5 12.5 -2.5 13.8 3 49 A S - 0 0 38 1,-0.1 2,-0.3 136,-0.1 138,-0.2 -0.070 49.0-163.6 -53.9 143.7 13.7 -2.4 17.5 4 50 A I E -A 140 0A 57 136,-2.1 136,-2.6 2,-0.0 2,-0.5 -0.823 12.1-134.5-124.0 167.8 11.1 -2.1 20.3 5 51 A F E -A 139 0A 118 -2,-0.3 2,-0.5 134,-0.2 134,-0.2 -0.966 15.4-160.4-134.0 112.0 11.5 -1.1 23.9 6 52 A V E -A 138 0A 15 132,-3.1 132,-2.4 -2,-0.5 2,-0.7 -0.845 13.0-140.4-106.4 121.7 9.9 -3.1 26.7 7 53 A D E +A 137 0A 100 -2,-0.5 130,-0.2 130,-0.2 3,-0.2 -0.695 25.9 170.1 -76.1 114.1 9.3 -1.7 30.2 8 54 A V > + 0 0 4 128,-3.1 3,-1.6 -2,-0.7 129,-0.2 0.217 41.4 113.1-110.0 15.0 10.0 -4.6 32.6 9 55 A S T 3 S+ 0 0 68 127,-0.6 -1,-0.1 1,-0.3 128,-0.1 0.729 80.8 44.0 -60.4 -25.7 9.9 -2.4 35.8 10 56 A S T 3 S+ 0 0 104 -3,-0.2 2,-0.6 126,-0.1 -1,-0.3 0.367 82.1 115.1-103.5 4.0 6.8 -4.1 37.1 11 57 A V < - 0 0 12 -3,-1.6 3,-0.1 4,-0.0 -3,-0.0 -0.658 51.0-160.7 -81.3 115.6 7.7 -7.7 36.3 12 58 A E > - 0 0 126 -2,-0.6 3,-1.7 1,-0.2 18,-0.3 -0.485 35.4 -72.8 -91.9 162.1 8.0 -9.6 39.6 13 59 A P T 3 S+ 0 0 70 0, 0.0 18,-0.2 0, 0.0 -1,-0.2 -0.308 121.7 24.2 -56.0 137.6 9.8 -12.9 40.1 14 60 A G T 3 S+ 0 0 31 16,-2.9 2,-0.4 1,-0.3 17,-0.1 0.572 97.7 118.4 81.7 11.9 7.9 -15.8 38.6 15 61 A V E < -C 30 0B 67 -3,-1.7 15,-2.6 15,-0.6 2,-0.5 -0.907 48.7-156.8-111.6 136.7 6.1 -13.6 36.1 16 62 A Q E -C 29 0B 48 -2,-0.4 2,-0.4 13,-0.2 13,-0.3 -0.959 3.7-158.5-108.2 128.8 6.4 -13.9 32.3 17 63 A L E -C 28 0B 58 11,-3.1 11,-3.0 -2,-0.5 2,-0.5 -0.901 9.2-155.5-100.2 133.0 5.6 -10.9 30.2 18 64 A T E +C 27 0B 73 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.958 14.7 179.1-114.2 123.2 4.7 -11.8 26.6 19 65 A V E -C 26 0B 28 7,-2.4 7,-2.8 -2,-0.5 2,-0.4 -0.951 27.1-123.0-125.0 144.7 5.2 -9.1 23.9 20 66 A K E +C 25 0B 163 -2,-0.4 2,-0.4 5,-0.2 -2,-0.0 -0.708 35.7 167.4 -89.8 130.4 4.6 -9.3 20.2 21 67 A F E > -C 24 0B 13 3,-2.9 3,-2.0 -2,-0.4 -18,-0.1 -0.989 67.7 -4.1-146.7 129.2 7.6 -8.6 18.0 22 68 A L T 3 S- 0 0 117 -2,-0.4 -1,-0.1 1,-0.3 -20,-0.0 0.860 131.6 -56.9 52.3 36.8 8.0 -9.2 14.2 23 69 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.443 121.8 86.6 82.5 0.6 4.5 -10.8 14.4 24 70 A K E < S-C 21 0B 111 -3,-2.0 -3,-2.9 -5,-0.1 2,-0.2 -0.892 81.0 -92.5-134.9 156.4 5.4 -13.4 17.0 25 71 A P E -C 20 0B 32 0, 0.0 56,-2.9 0, 0.0 2,-0.5 -0.520 26.9-160.8 -73.5 137.9 5.5 -13.7 20.8 26 72 A I E -CD 19 80B 0 -7,-2.8 -7,-2.4 54,-0.3 2,-0.5 -0.972 13.8-144.3-108.8 128.3 8.6 -13.0 22.8 27 73 A F E -CD 18 79B 3 52,-3.3 52,-2.3 -2,-0.5 2,-0.6 -0.854 14.6-173.6 -93.0 127.0 8.6 -14.4 26.3 28 74 A I E -CD 17 78B 0 -11,-3.0 -11,-3.1 -2,-0.5 2,-0.5 -0.926 12.4-177.8-118.0 101.0 10.3 -12.3 29.0 29 75 A R E -CD 16 77B 13 48,-3.0 48,-2.6 -2,-0.6 2,-0.9 -0.889 24.6-149.4-104.7 127.6 10.3 -14.3 32.2 30 76 A R E -CD 15 76B 64 -15,-2.6 -16,-2.9 -2,-0.5 -15,-0.6 -0.855 36.2-136.0 -87.0 107.3 11.7 -13.0 35.4 31 77 A R - 0 0 1 44,-2.8 2,-0.1 -2,-0.9 -16,-0.0 -0.326 5.6-126.3 -74.8 147.4 12.9 -16.3 36.8 32 78 A T > - 0 0 39 -19,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.373 32.0-104.0 -78.4 166.0 12.4 -17.4 40.3 33 79 A E H > S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.846 125.3 53.1 -60.8 -32.0 15.4 -18.6 42.4 34 80 A A H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.936 108.0 49.4 -67.1 -45.8 14.1 -22.2 41.8 35 81 A D H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 113.7 46.9 -56.3 -45.9 14.1 -21.6 38.0 36 82 A I H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.958 113.8 45.8 -65.3 -51.6 17.6 -20.2 38.1 37 83 A E H X S+ 0 0 133 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.922 113.8 49.2 -57.9 -46.4 19.1 -23.0 40.3 38 84 A L H >< S+ 0 0 99 -4,-2.8 3,-1.0 1,-0.2 4,-0.4 0.922 110.0 51.4 -62.1 -41.9 17.4 -25.7 38.3 39 85 A G H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.3 26,-0.3 0.899 111.1 48.3 -59.1 -40.5 18.7 -24.2 35.1 40 86 A R H 3< S+ 0 0 94 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.546 101.6 66.1 -79.1 -6.6 22.2 -24.1 36.5 41 87 A S T << S+ 0 0 74 -3,-1.0 2,-0.4 -4,-0.7 -1,-0.2 0.529 79.2 98.6 -90.4 -8.8 22.0 -27.7 37.7 42 88 A V < - 0 0 30 -3,-1.0 2,-0.3 -4,-0.4 23,-0.2 -0.673 67.4-139.4 -87.2 129.9 21.7 -29.2 34.2 43 89 A Q > - 0 0 133 -2,-0.4 3,-2.1 1,-0.1 4,-0.4 -0.642 18.9-123.3 -83.0 144.7 24.9 -30.6 32.6 44 90 A L G > S+ 0 0 48 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.864 111.6 63.7 -54.7 -37.2 25.5 -29.9 28.9 45 91 A G G 3 S+ 0 0 80 1,-0.3 -1,-0.3 5,-0.0 5,-0.0 0.642 97.3 57.7 -61.4 -15.3 25.7 -33.7 28.4 46 92 A Q G < S+ 0 0 105 -3,-2.1 -1,-0.3 4,-0.0 2,-0.2 0.578 88.3 99.7 -90.7 -12.0 22.1 -34.0 29.5 47 93 A L < - 0 0 18 -3,-1.6 3,-0.2 -4,-0.4 70,-0.1 -0.500 62.9-149.2 -85.7 144.5 20.7 -31.6 26.8 48 94 A V S S+ 0 0 86 68,-1.1 2,-0.5 1,-0.3 -1,-0.1 0.897 98.1 30.8 -66.9 -43.8 19.0 -32.5 23.5 49 95 A D - 0 0 11 67,-0.5 -1,-0.3 1,-0.1 67,-0.1 -0.961 64.1-174.9-123.8 111.9 20.4 -29.3 21.9 50 96 A T + 0 0 76 -2,-0.5 13,-2.4 -3,-0.2 2,-0.4 0.442 56.1 101.6 -88.1 1.9 23.8 -28.0 23.3 51 97 A N B S-E 62 0C 37 11,-0.3 73,-0.3 12,-0.1 11,-0.2 -0.715 70.9-138.3 -89.7 135.3 23.7 -24.8 21.2 52 98 A A - 0 0 1 9,-2.8 75,-0.1 -2,-0.4 10,-0.1 0.710 18.8-152.6 -63.5 -22.0 22.7 -21.6 23.0 53 99 A R + 0 0 77 8,-0.3 74,-2.9 6,-0.3 2,-0.6 0.882 42.6 150.6 49.6 43.4 20.6 -20.5 20.0 54 100 A N B > -f 127 0D 13 4,-0.3 3,-1.5 72,-0.2 -1,-0.2 -0.919 44.3-160.1-120.5 112.6 21.3 -17.0 21.2 55 101 A A T 3 S+ 0 0 57 72,-2.4 74,-0.2 -2,-0.6 -1,-0.1 0.684 89.7 62.0 -60.1 -20.3 21.4 -14.0 18.8 56 102 A N T 3 S+ 0 0 61 72,-0.2 -1,-0.2 71,-0.1 2,-0.2 0.579 106.9 35.2 -86.0 -13.7 23.5 -11.9 21.3 57 103 A I S < S- 0 0 65 -3,-1.5 -3,-0.1 1,-0.2 4,-0.0 -0.726 107.7 -45.6-133.8 178.9 26.5 -14.2 21.5 58 104 A D > - 0 0 123 -2,-0.2 3,-2.0 1,-0.2 -4,-0.3 -0.181 49.4-129.3 -52.5 137.6 28.7 -16.4 19.4 59 105 A A T 3 S+ 0 0 81 1,-0.3 -6,-0.3 -4,-0.1 -1,-0.2 0.643 108.3 53.7 -66.8 -14.6 26.5 -18.7 17.3 60 106 A G T 3 S+ 0 0 53 -9,-0.1 -1,-0.3 -8,-0.1 -2,-0.1 0.304 80.8 133.3 -98.7 6.0 28.6 -21.7 18.5 61 107 A A < - 0 0 16 -3,-2.0 -9,-2.8 -7,-0.2 -8,-0.3 -0.221 60.1-111.3 -60.7 144.6 28.1 -20.9 22.2 62 108 A E B -E 51 0C 111 -11,-0.2 2,-1.7 -10,-0.1 -11,-0.3 -0.523 25.5-113.3 -76.6 147.2 27.1 -23.8 24.5 63 109 A A + 0 0 0 -13,-2.4 -12,-0.1 -2,-0.2 -1,-0.1 -0.214 58.8 151.6 -79.2 46.9 23.6 -23.8 26.0 64 110 A T > - 0 0 35 -2,-1.7 3,-0.6 -14,-0.1 4,-0.1 -0.377 62.0-109.4 -64.4 157.4 24.7 -23.3 29.6 65 111 A D G >> S+ 0 0 2 -26,-0.3 3,-1.9 1,-0.2 4,-0.5 0.905 121.0 57.4 -56.9 -40.5 22.2 -21.5 31.7 66 112 A Q G >4 S+ 0 0 105 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.803 103.8 52.0 -62.4 -31.1 24.5 -18.4 31.7 67 113 A N G <4 S+ 0 0 51 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.326 105.3 58.5 -86.7 8.3 24.4 -18.3 27.9 68 114 A R G <4 S+ 0 0 0 -3,-1.9 10,-0.4 -4,-0.1 2,-0.3 0.485 97.4 64.1-112.7 -7.9 20.6 -18.4 28.0 69 115 A T S << S- 0 0 12 -3,-0.5 8,-0.2 -4,-0.5 6,-0.0 -0.784 73.5-131.1-117.4 161.2 19.8 -15.3 30.0 70 116 A L S S+ 0 0 43 6,-2.5 2,-0.3 -2,-0.3 62,-0.1 0.832 89.2 51.9 -76.1 -31.2 20.5 -11.5 29.4 71 117 A D S > S- 0 0 34 5,-0.4 3,-1.2 1,-0.1 -2,-0.1 -0.739 79.2-125.5-113.2 153.1 22.0 -10.9 32.8 72 118 A E T 3 S+ 0 0 187 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.831 112.0 60.2 -60.9 -34.9 24.8 -12.5 34.9 73 119 A A T 3 S- 0 0 56 1,-0.1 -1,-0.3 -7,-0.0 -7,-0.0 0.639 105.5-132.3 -70.0 -15.3 22.4 -13.0 37.8 74 120 A G < + 0 0 0 -3,-1.2 -43,-0.2 2,-0.1 -2,-0.1 0.628 69.7 122.8 75.0 15.9 20.2 -15.2 35.5 75 121 A E + 0 0 47 1,-0.2 -44,-2.8 -45,-0.1 2,-0.7 0.748 58.4 67.7 -77.7 -23.4 17.0 -13.5 36.3 76 122 A W E +D 30 0B 29 -46,-0.2 -6,-2.5 -5,-0.1 2,-0.6 -0.850 55.1 177.0-114.1 103.9 16.0 -12.4 32.8 77 123 A L E +D 29 0B 1 -48,-2.6 -48,-3.0 -2,-0.7 2,-0.5 -0.920 7.2 178.6-105.0 115.5 15.1 -15.1 30.3 78 124 A V E +D 28 0B 0 -2,-0.6 2,-0.3 -10,-0.4 -50,-0.2 -0.977 15.0 146.6-122.5 121.2 14.1 -13.6 27.0 79 125 A M E -D 27 0B 1 -52,-2.3 -52,-3.3 -2,-0.5 2,-0.3 -0.985 53.0 -90.7-150.6 157.9 13.2 -15.9 24.1 80 126 A W E -D 26 0B 42 46,-3.0 2,-1.5 -2,-0.3 -54,-0.3 -0.600 32.9-139.1 -67.1 129.1 10.9 -16.4 21.1 81 127 A G + 0 0 0 -56,-2.9 2,-0.5 -2,-0.3 -1,-0.1 -0.374 66.7 118.4 -85.4 56.8 7.8 -18.1 22.2 82 128 A V - 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H 0 108E 2 5,-3.2 4,-1.5 -2,-0.4 5,-1.0 -0.875 8.7-166.2 -95.5 111.7 4.1 -27.3 23.8 104 150 A P T 45S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.614 72.9 80.9 -75.2 -11.7 0.7 -29.0 23.7 105 151 A a T 45S- 0 0 60 1,-0.2 -2,-0.0 -16,-0.1 -16,-0.0 0.949 125.5 -13.0 -61.7 -49.1 0.7 -29.3 19.9 106 152 A H T 45S- 0 0 106 -3,-0.4 -1,-0.2 2,-0.1 15,-0.0 0.194 105.5 -93.0-139.8 14.2 2.9 -32.4 19.9 107 153 A G T <5 + 0 0 20 -4,-1.5 2,-0.3 1,-0.2 14,-0.0 0.854 56.6 168.1 84.3 39.1 4.3 -32.6 23.4 108 154 A A E < -H 103 0E 2 -5,-1.0 -5,-3.2 11,-0.2 2,-0.5 -0.675 19.1-155.3 -80.9 136.7 7.6 -30.7 23.5 109 155 A H E -HI 102 118E 26 9,-2.8 8,-3.0 -2,-0.3 9,-1.2 -0.973 8.6-170.1-115.0 126.5 9.0 -30.0 27.0 110 156 A Y E -HI 101 116E 0 -9,-3.1 -9,-2.1 -2,-0.5 -10,-0.4 -0.892 17.0-129.8-114.1 145.2 11.4 -27.1 27.6 111 157 A D > - 0 0 2 4,-2.7 3,-2.2 -2,-0.4 -12,-0.2 -0.008 41.6 -77.4 -84.4-169.9 13.3 -26.6 30.8 112 158 A S T 3 S+ 0 0 5 -14,-0.7 -73,-0.1 1,-0.3 -13,-0.1 0.523 133.4 48.8 -73.4 -5.1 13.6 -23.4 33.0 113 159 A A T 3 S- 0 0 0 2,-0.1 -1,-0.3 -74,-0.1 3,-0.1 0.153 122.6-105.3-109.3 13.2 16.2 -22.0 30.5 114 160 A G S < S+ 0 0 0 -3,-2.2 11,-2.5 1,-0.2 2,-0.3 0.694 71.5 149.1 72.7 20.1 13.9 -22.7 27.5 115 161 A R - 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