==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-APR-12 4EUF . COMPND 2 MOLECULE: PUTATIVE REDUCTASE CA_C0462; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR K.HU,M.ZHAO,T.ZHANG,S.YANG,J.DING . 387 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 1 0 0 0 0 0 5 1 2 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 3 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 PARALLEL BRIDGES PER LADDER . 0 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 10 A G 0 0 123 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.7 10.6 -11.6 38.8 2 11 A F - 0 0 186 375,-0.1 2,-0.1 1,-0.0 375,-0.0 -0.820 360.0-106.5-124.2 156.5 10.5 -9.8 35.5 3 12 A I - 0 0 57 -2,-0.3 4,-0.1 1,-0.1 -1,-0.0 -0.407 34.2-167.3 -67.8 156.5 8.2 -8.1 33.0 4 13 A R - 0 0 205 2,-0.5 -1,-0.1 -2,-0.1 3,-0.1 0.603 59.8 -21.3-109.0-100.6 7.4 -10.0 29.8 5 14 A D S S+ 0 0 120 1,-0.2 2,-0.5 362,-0.0 362,-0.1 0.671 122.1 56.0 -95.0 -22.9 5.7 -8.7 26.7 6 15 A V - 0 0 16 69,-0.2 -2,-0.5 360,-0.1 360,-0.2 -0.964 57.1-161.4-124.3 126.5 4.0 -5.7 28.3 7 16 A H > - 0 0 6 358,-2.2 4,-1.7 -2,-0.5 3,-0.1 -0.920 14.4-154.2 -95.6 111.0 5.2 -2.8 30.3 8 17 A P H > S+ 0 0 0 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.739 92.8 40.0 -57.8 -33.9 2.2 -1.2 32.2 9 18 A Y H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.729 108.8 58.9 -94.1 -22.8 3.6 2.3 32.5 10 19 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 356,-0.3 0.830 106.9 52.2 -63.4 -33.5 5.1 2.3 29.0 11 20 A C H X S+ 0 0 0 -4,-1.7 4,-2.1 354,-0.3 -2,-0.2 0.904 106.3 51.4 -68.0 -41.7 1.5 1.7 28.1 12 21 A R H X S+ 0 0 75 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.943 113.2 46.0 -54.6 -48.9 0.4 4.8 30.2 13 22 A R H X S+ 0 0 56 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.858 109.5 53.1 -68.8 -38.7 3.0 6.9 28.4 14 23 A E H X S+ 0 0 35 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.897 111.0 46.3 -64.8 -41.3 2.1 5.6 24.9 15 24 A V H >X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-0.7 0.946 113.8 50.7 -62.8 -47.7 -1.6 6.5 25.4 16 25 A L H 3X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.856 104.5 56.6 -58.6 -40.0 -0.4 9.8 26.8 17 26 A N H 3X S+ 0 0 64 -4,-2.9 4,-1.6 1,-0.2 -1,-0.3 0.825 109.9 45.5 -62.3 -29.9 1.8 10.4 23.8 18 27 A Q H < S+ 0 0 1 -4,-1.8 3,-0.6 1,-0.2 5,-0.3 0.898 108.6 54.4 -67.1 -44.2 -4.4 15.1 19.8 23 32 A K H 3< S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.784 112.5 45.4 -59.4 -31.3 -4.4 18.0 22.3 24 33 A K H 3< S+ 0 0 171 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.625 92.8 102.4 -90.1 -17.6 -2.0 20.0 20.1 25 34 A A S << S- 0 0 33 -4,-0.8 3,-0.0 -3,-0.6 -3,-0.0 -0.170 92.4 -92.4 -70.8 163.1 -3.7 19.4 16.8 26 35 A I - 0 0 173 1,-0.1 -1,-0.1 29,-0.0 -3,-0.1 0.571 65.4-135.0 -48.7 -13.1 -5.9 21.8 14.8 27 36 A G - 0 0 32 -5,-0.3 2,-0.3 26,-0.1 28,-0.2 0.516 20.9-153.0 67.2 141.2 -9.0 20.3 16.5 28 37 A F - 0 0 14 26,-1.5 2,-0.3 23,-0.0 281,-0.1 -0.883 2.9-139.7-138.7 169.5 -12.3 19.4 14.9 29 38 A R + 0 0 212 279,-0.5 3,-0.1 -2,-0.3 28,-0.0 -0.893 51.5 87.4-130.7 166.1 -16.0 19.1 16.0 30 39 A G + 0 0 51 1,-0.3 2,-0.0 -2,-0.3 21,-0.0 -0.642 65.3 66.3 152.8 -88.5 -18.8 16.6 15.3 31 40 A P + 0 0 3 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.359 37.3 162.4 -71.5 147.1 -19.3 13.5 17.4 32 41 A K S S+ 0 0 93 1,-0.3 27,-3.5 26,-0.1 2,-0.6 0.524 70.4 46.3-129.7 -33.6 -20.3 13.8 21.1 33 42 A K E S-a 59 0A 45 25,-0.2 91,-3.0 89,-0.2 92,-1.5 -0.955 76.4-178.5-118.4 111.3 -21.6 10.3 22.0 34 43 A V E -ab 60 125A 0 25,-3.0 27,-1.9 -2,-0.6 2,-0.5 -0.933 19.3-167.4-123.9 130.0 -19.2 7.6 20.8 35 44 A L E -ab 61 126A 0 90,-2.2 92,-3.1 -2,-0.4 2,-0.5 -0.969 10.2-174.5-110.3 125.1 -19.3 3.8 20.8 36 45 A I E -ab 62 127A 0 25,-2.8 27,-3.3 -2,-0.5 2,-0.5 -0.972 12.3-160.2-118.4 120.1 -16.1 1.8 19.9 37 46 A V E S+ab 63 128A 0 90,-2.5 92,-2.0 -2,-0.5 27,-0.2 -0.857 89.3 25.1 -88.0 130.5 -15.9 -2.0 19.6 38 47 A G S S+ 0 0 12 25,-2.4 3,-0.3 -2,-0.5 26,-0.3 0.954 79.9 156.2 73.1 60.3 -12.3 -3.0 19.9 39 48 A A + 0 0 0 24,-2.1 9,-0.2 -3,-0.4 25,-0.2 0.594 47.6 77.2 -92.4 -14.4 -11.3 0.1 21.9 40 49 A S S S+ 0 0 4 23,-0.2 2,-0.3 4,-0.1 41,-0.2 0.461 99.3 8.3 -85.7 -3.8 -8.2 -1.0 23.7 41 50 A S S >> S+ 0 0 65 -3,-0.3 4,-1.5 40,-0.1 3,-1.0 -0.986 101.2 5.0-164.6 171.5 -5.6 -0.9 20.9 42 51 A G H 3> S- 0 0 39 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.174 123.6 -8.5 50.8-125.6 -4.6 0.1 17.4 43 52 A F H 3> S+ 0 0 46 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.825 134.6 58.4 -75.7 -34.0 -7.2 2.1 15.6 44 53 A G H <> S+ 0 0 1 -3,-1.0 4,-1.8 85,-0.3 -2,-0.2 0.944 111.8 42.9 -56.8 -49.0 -9.9 1.6 18.2 45 54 A L H X S+ 0 0 9 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.918 116.5 46.5 -60.0 -48.0 -7.7 3.2 20.8 46 55 A A H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.897 111.1 51.6 -69.0 -41.5 -6.6 5.9 18.4 47 56 A T H X S+ 0 0 0 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.865 111.4 49.4 -56.4 -40.9 -10.1 6.6 17.3 48 57 A R H X S+ 0 0 2 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.888 114.4 42.8 -70.6 -41.8 -11.1 6.9 21.0 49 58 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.893 112.2 55.7 -69.4 -41.3 -8.3 9.3 21.8 50 59 A S H < S+ 0 0 0 -4,-3.2 4,-0.2 -5,-0.2 -2,-0.2 0.754 112.4 41.3 -64.2 -25.1 -8.9 11.2 18.6 51 60 A V H < S+ 0 0 0 -4,-1.2 7,-1.4 -5,-0.2 -1,-0.2 0.780 118.0 46.3 -92.8 -24.8 -12.6 11.8 19.6 52 61 A A H < S+ 0 0 1 -4,-1.6 -2,-0.2 5,-0.2 5,-0.2 0.852 131.2 17.6 -81.9 -39.5 -11.9 12.6 23.2 53 62 A F S < S+ 0 0 12 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.1 0.288 99.8 90.5-120.0 7.6 -9.0 15.0 22.9 54 63 A G S S- 0 0 1 -5,-0.4 -26,-1.5 -4,-0.2 -1,-0.1 0.607 114.4 -95.5 -71.5 -12.1 -9.3 15.9 19.2 55 64 A G S S+ 0 0 27 -28,-0.2 -3,-0.1 -4,-0.1 -4,-0.1 0.337 110.3 97.3 111.9 -12.4 -11.5 18.7 20.5 56 65 A P S S- 0 0 13 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.479 75.6-149.4 -69.8 -7.4 -15.0 17.2 20.2 57 66 A E - 0 0 98 -5,-0.2 -5,-0.2 1,-0.1 2,-0.2 0.881 32.8-179.3 32.2 63.4 -14.5 16.4 23.9 58 67 A A - 0 0 1 -7,-1.4 2,-0.3 -10,-0.1 -25,-0.2 -0.601 28.8-120.7 -96.5 152.3 -16.7 13.4 23.2 59 68 A H E -a 33 0A 29 -27,-3.5 -25,-3.0 -2,-0.2 2,-0.4 -0.712 34.3-159.1 -96.3 147.1 -17.9 10.7 25.6 60 69 A T E -ac 34 96A 1 35,-2.8 37,-2.2 -2,-0.3 2,-0.5 -0.954 25.0-160.8-137.6 142.3 -16.9 7.1 24.9 61 70 A I E -ac 35 97A 0 -27,-1.9 -25,-2.8 -2,-0.4 2,-0.6 -0.992 21.4-159.3-115.0 119.9 -17.8 3.5 25.6 62 71 A G E -ac 36 98A 0 35,-2.1 37,-2.2 -2,-0.5 2,-0.5 -0.897 6.7-168.5-100.2 124.1 -15.0 1.1 24.8 63 72 A V E +ac 37 99A 1 -27,-3.3 -25,-2.4 -2,-0.6 -24,-2.1 -0.942 28.5 139.1-103.4 135.5 -15.8 -2.5 24.2 64 73 A S E - c 0 100A 6 35,-1.6 37,-1.0 -2,-0.5 2,-0.5 -0.967 47.4-122.3-163.2 161.0 -12.7 -4.7 24.1 65 74 A Y + 0 0 167 -2,-0.3 2,-0.3 35,-0.2 13,-0.1 -0.929 50.3 129.4-122.5 114.6 -11.5 -8.1 25.4 66 75 A E - 0 0 36 -2,-0.5 2,-0.3 12,-0.1 -2,-0.1 -0.946 40.0-136.8-152.2 161.1 -8.4 -8.1 27.6 67 76 A T - 0 0 72 -2,-0.3 9,-2.2 1,-0.0 12,-0.3 -0.899 18.4-149.0-127.0 160.2 -7.2 -9.5 30.9 68 77 A G - 0 0 13 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.170 32.9 -50.0-113.7-158.0 -5.3 -8.0 33.8 69 78 A A + 0 0 17 314,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.626 41.4 175.1 -86.9 133.1 -2.8 -8.7 36.6 70 79 A T - 0 0 40 3,-0.8 313,-0.1 -2,-0.3 314,-0.1 -0.498 57.8 -82.8-108.6-170.8 -3.2 -11.4 39.1 71 80 A D S S+ 0 0 124 -2,-0.2 309,-0.1 1,-0.2 310,-0.1 0.703 130.1 30.9 -68.5 -16.1 -0.5 -12.2 41.7 72 81 A R S S+ 0 0 195 308,-0.0 2,-0.2 0, 0.0 -1,-0.2 0.765 116.0 50.6-111.3 -40.0 1.3 -14.3 39.0 73 82 A R - 0 0 126 1,-0.1 -3,-0.8 -5,-0.1 -5,-0.0 -0.524 61.0-147.3-101.3 169.6 0.7 -12.7 35.6 74 83 A I - 0 0 35 -5,-0.2 -5,-0.2 -2,-0.2 2,-0.1 0.738 38.8-135.3-108.2 -35.0 1.0 -9.1 34.4 75 84 A G - 0 0 19 -7,-0.2 -7,-0.2 -6,-0.1 2,-0.2 -0.416 28.6 -48.4 106.0 179.5 -1.8 -8.8 31.8 76 85 A T > - 0 0 47 -9,-2.2 4,-1.6 -2,-0.1 5,-0.1 -0.541 36.4-123.0 -94.0 153.9 -2.2 -7.4 28.4 77 86 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 3,-0.4 0.945 113.2 55.1 -49.1 -53.4 -1.3 -4.0 26.9 78 87 A G H > S+ 0 0 4 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.839 103.4 56.1 -57.1 -37.5 -4.9 -3.4 25.8 79 88 A W H > S+ 0 0 33 -12,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.930 111.4 42.3 -55.3 -49.5 -6.0 -3.9 29.4 80 89 A Y H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.4 5,-0.3 0.900 109.5 57.3 -70.6 -39.6 -3.7 -1.2 30.6 81 90 A N H X S+ 0 0 7 -4,-2.8 4,-2.7 -41,-0.2 5,-0.2 0.910 105.9 51.9 -52.5 -43.7 -4.5 1.2 27.7 82 91 A N H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.916 112.0 45.8 -61.7 -47.1 -8.2 1.0 28.8 83 92 A I H X S+ 0 0 7 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.954 115.1 45.1 -59.1 -56.8 -7.3 1.9 32.4 84 93 A F H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.858 111.4 52.7 -62.9 -36.1 -5.0 4.8 31.6 85 94 A F H X S+ 0 0 1 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.911 110.0 48.9 -64.4 -42.4 -7.4 6.2 29.0 86 95 A K H X S+ 0 0 41 -4,-2.0 4,-3.0 -5,-0.2 3,-0.3 0.962 111.3 50.9 -55.2 -53.3 -10.2 6.2 31.7 87 96 A E H X S+ 0 0 64 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.921 115.0 41.0 -48.7 -56.0 -7.8 7.9 34.2 88 97 A F H < S+ 0 0 18 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.702 116.1 51.1 -70.8 -23.3 -6.9 10.7 31.7 89 98 A A H ><>S+ 0 0 2 -4,-1.6 5,-2.4 -3,-0.3 3,-0.5 0.870 108.4 48.4 -82.6 -42.0 -10.4 11.0 30.5 90 99 A K H ><5S+ 0 0 134 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.818 103.8 62.3 -64.1 -35.2 -12.1 11.4 33.9 91 100 A K T 3<5S+ 0 0 157 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.758 107.0 45.8 -62.0 -26.2 -9.5 14.0 34.8 92 101 A K T < 5S- 0 0 95 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.308 121.5-112.6 -95.7 6.6 -11.0 16.0 31.9 93 102 A G T < 5S+ 0 0 61 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.637 72.3 134.6 73.5 14.5 -14.5 15.2 33.1 94 103 A L < - 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