==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, METAL BINDING PROTEIN 03-NOV-09 3KJI . COMPND 2 MOLECULE: CO DEHYDROGENASE/ACETYL-COA SYNTHASE COMPLEX, . SOURCE 2 ORGANISM_SCIENTIFIC: CARBOXYDOTHERMUS HYDROGENOFORMANS; . AUTHOR J.-H.JEOUNG,H.DOBBEK . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 3 1 2 0 3 0 2 0 1 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 8 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 27 0, 0.0 134,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 122.2 12.4 8.6 7.9 2 2 A K E -a 135 0A 16 151,-0.2 153,-1.6 132,-0.2 154,-1.1 -0.932 360.0-175.0-113.9 105.5 14.7 9.2 10.9 3 3 A L E -ab 136 156A 0 132,-3.7 134,-2.7 -2,-0.6 2,-0.5 -0.819 19.4-164.4-110.5 143.6 17.5 6.6 10.9 4 4 A A E -ab 137 157A 0 152,-2.0 154,-3.8 -2,-0.4 2,-0.5 -0.987 8.9-167.3-121.3 126.3 20.4 5.8 13.2 5 5 A V E +ab 138 158A 0 132,-2.3 134,-2.1 -2,-0.5 2,-0.3 -0.957 15.2 171.8-119.3 114.3 23.2 3.7 11.9 6 6 A A E +ab 139 159A 0 152,-2.6 154,-2.6 -2,-0.5 2,-0.3 -0.903 7.1 138.6-126.4 153.9 25.7 2.3 14.5 7 7 A G - 0 0 0 132,-1.3 134,-0.4 -2,-0.3 135,-0.2 -0.938 51.0 -78.2 179.1 158.7 28.5 -0.2 14.6 8 8 A K > - 0 0 114 152,-0.5 3,-1.9 -2,-0.3 5,-0.4 -0.295 66.8 -82.3 -64.2 151.2 32.0 -0.9 16.0 9 9 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.1 131,-0.0 -0.366 116.6 22.2 -59.9 125.5 34.9 0.9 14.3 10 10 A G T 3 S+ 0 0 56 -2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.331 87.0 105.1 102.4 -8.6 35.9 -1.0 11.2 11 11 A V S < S- 0 0 8 -3,-1.9 -2,-0.1 149,-0.1 150,-0.1 0.634 95.3-110.3 -77.8 -13.7 32.7 -2.9 10.5 12 12 A G S > S+ 0 0 14 -4,-0.3 4,-1.9 148,-0.1 5,-0.1 0.761 70.6 143.8 89.7 29.7 31.9 -0.5 7.6 13 13 A K H > S+ 0 0 6 -5,-0.4 4,-1.9 2,-0.2 5,-0.1 0.762 70.9 54.4 -73.7 -23.1 29.0 1.2 9.3 14 14 A T H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 108.5 51.0 -74.0 -37.2 29.9 4.7 7.8 15 15 A T H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.919 109.4 49.4 -63.8 -45.2 29.9 3.0 4.4 16 16 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.927 110.6 50.3 -61.6 -44.8 26.4 1.5 5.0 17 17 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.897 109.3 51.5 -60.0 -41.7 25.0 4.9 6.2 18 18 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.878 108.2 51.8 -64.4 -38.6 26.4 6.6 3.1 19 19 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.903 110.8 46.6 -65.2 -42.7 24.8 4.1 0.8 20 20 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.903 113.0 49.7 -66.0 -41.0 21.4 4.5 2.4 21 21 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.904 110.2 51.9 -61.8 -42.4 21.7 8.3 2.3 22 22 A K H < S+ 0 0 46 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.908 114.0 43.3 -60.4 -44.0 22.7 8.0 -1.4 23 23 A I H >X S+ 0 0 11 -4,-2.1 3,-0.9 1,-0.2 4,-0.6 0.865 111.4 53.1 -70.4 -40.2 19.6 5.9 -2.1 24 24 A M H >X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 3,-0.6 0.782 87.2 83.1 -68.1 -27.4 17.2 8.0 -0.0 25 25 A A H 3< S+ 0 0 15 -4,-1.7 -1,-0.2 1,-0.3 3,-0.2 0.799 93.1 47.0 -47.4 -34.6 18.2 11.2 -1.9 26 26 A S H <4 S+ 0 0 86 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.870 111.1 50.4 -78.5 -34.9 15.8 10.4 -4.7 27 27 A D H << S+ 0 0 70 -3,-0.6 2,-0.3 -4,-0.6 -2,-0.2 0.543 111.7 46.7 -80.8 -9.8 12.8 9.5 -2.4 28 28 A Y S < S- 0 0 46 -4,-1.2 3,-0.1 -3,-0.2 105,-0.0 -0.923 73.8-130.8-132.0 157.7 12.9 12.7 -0.3 29 29 A D S S+ 0 0 147 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.728 92.9 5.3 -78.6 -23.5 13.2 16.4 -1.0 30 30 A K - 0 0 27 2,-0.0 104,-1.1 67,-0.0 2,-0.4 -0.975 63.0-164.3-159.6 145.2 16.0 16.9 1.6 31 31 A I E -cd 97 134A 0 65,-2.7 67,-3.0 -2,-0.3 2,-0.7 -0.997 14.7-143.5-138.9 134.5 18.1 14.7 3.8 32 32 A Y E -cd 98 135A 0 102,-2.2 104,-2.6 -2,-0.4 2,-0.6 -0.862 15.9-160.6 -95.3 115.8 20.3 15.6 6.8 33 33 A A E -cd 99 136A 0 65,-3.0 67,-2.3 -2,-0.7 2,-0.6 -0.891 10.9-161.9 -95.4 124.1 23.4 13.3 6.8 34 34 A V E -cd 100 137A 0 102,-2.9 104,-2.2 -2,-0.6 2,-1.1 -0.926 12.3-156.2-119.8 113.5 24.8 13.4 10.3 35 35 A D E +cd 101 138A 5 65,-2.5 67,-2.4 -2,-0.6 68,-0.5 -0.725 23.5 164.3 -85.4 97.3 28.4 12.3 11.0 36 36 A G E + d 0 139A 6 102,-1.2 104,-0.5 -2,-1.1 -1,-0.1 0.042 56.8 72.7-103.6 23.8 28.3 11.2 14.7 37 37 A D > - 0 0 14 3,-0.2 3,-1.0 102,-0.2 5,-0.3 -0.938 57.5-168.0-138.7 110.6 31.6 9.3 14.6 38 38 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 66,-0.1 0.763 80.5 75.2 -70.4 -24.8 34.8 11.4 14.4 39 39 A D T 3 S+ 0 0 143 2,-0.0 2,-0.3 1,-0.0 65,-0.0 0.533 104.4 29.4 -66.7 -8.8 36.9 8.2 13.6 40 40 A S S < S- 0 0 39 -3,-1.0 2,-0.8 -31,-0.0 -3,-0.2 -0.988 83.4-117.3-148.5 151.3 35.6 8.0 10.0 41 41 A C > - 0 0 27 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.801 20.1-176.4 -99.4 105.8 34.5 10.6 7.6 42 42 A L H > S+ 0 0 0 -2,-0.8 4,-0.8 -5,-0.3 -1,-0.2 0.925 87.0 55.2 -59.2 -46.5 30.8 10.3 6.5 43 43 A G H >4>S+ 0 0 0 1,-0.2 5,-2.3 2,-0.2 3,-0.5 0.896 108.0 45.5 -54.5 -50.1 31.3 13.2 4.1 44 44 A Q H >45S+ 0 0 82 1,-0.2 3,-1.5 3,-0.2 -1,-0.2 0.867 110.8 52.1 -65.8 -36.7 34.3 11.7 2.2 45 45 A T H 3<5S+ 0 0 34 -4,-1.9 186,-0.3 1,-0.3 -1,-0.2 0.657 106.1 58.2 -74.4 -9.8 32.6 8.3 1.9 46 46 A L T <<5S- 0 0 6 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.442 134.8 -88.6 -93.2 -1.7 29.7 10.3 0.4 47 47 A G T < 5S+ 0 0 44 -3,-1.5 -3,-0.2 1,-0.4 -2,-0.1 0.257 84.8 130.1 116.8 -14.2 32.0 11.7 -2.3 48 48 A L < - 0 0 23 -5,-2.3 -1,-0.4 -6,-0.1 2,-0.1 -0.319 54.7-118.9 -71.1 158.9 33.5 14.8 -0.8 49 49 A S > - 0 0 38 1,-0.1 4,-2.8 179,-0.1 5,-0.3 -0.428 30.2 -99.3 -91.3 169.3 37.2 15.4 -0.9 50 50 A I H > S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.915 125.7 45.4 -53.2 -44.4 39.5 15.7 2.2 51 51 A E H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 111.8 48.8 -65.6 -53.4 39.4 19.5 1.7 52 52 A E H 4 S+ 0 0 103 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.912 115.5 45.7 -54.1 -45.0 35.6 19.8 1.1 53 53 A A H >< S+ 0 0 2 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.897 109.8 53.0 -66.7 -42.2 34.9 17.7 4.2 54 54 A Y H 3< S+ 0 0 185 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.798 100.5 61.9 -66.8 -25.8 37.4 19.5 6.4 55 55 A A T 3< S+ 0 0 65 -4,-1.8 2,-1.5 1,-0.1 -1,-0.3 0.683 82.1 89.7 -73.7 -15.9 35.8 22.9 5.5 56 56 A I S < S- 0 0 7 -3,-1.2 -1,-0.1 -4,-0.5 35,-0.1 -0.666 83.6-139.0 -85.8 90.4 32.6 21.6 7.1 57 57 A T - 0 0 67 -2,-1.5 44,-0.4 1,-0.1 2,-0.1 -0.176 15.0-118.1 -51.0 130.7 33.2 22.8 10.7 58 58 A P > - 0 0 11 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.418 17.1-120.0 -74.1 149.6 32.1 20.3 13.4 59 59 A L G > S+ 0 0 0 42,-3.1 3,-1.8 1,-0.3 44,-0.2 0.897 113.5 61.0 -52.0 -44.5 29.5 21.4 15.9 60 60 A I G 3 S+ 0 0 21 42,-2.2 -1,-0.3 1,-0.3 43,-0.1 0.660 103.8 50.6 -60.9 -17.2 32.0 20.8 18.7 61 61 A E G < S+ 0 0 129 -3,-1.9 2,-2.0 41,-0.2 -1,-0.3 0.464 77.0 102.0-102.3 -0.6 34.2 23.5 17.2 62 62 A M <> + 0 0 31 -3,-1.8 4,-2.9 -4,-0.4 3,-0.3 -0.384 43.3 164.8 -81.9 61.3 31.6 26.3 16.8 63 63 A K H > S+ 0 0 135 -2,-2.0 4,-2.7 1,-0.2 5,-0.2 0.840 70.1 47.3 -46.9 -50.0 32.7 28.2 19.9 64 64 A D H > S+ 0 0 108 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 115.0 47.3 -63.5 -40.1 30.9 31.6 19.1 65 65 A E H > S+ 0 0 41 -3,-0.3 4,-3.3 2,-0.2 5,-0.3 0.939 112.5 49.5 -65.5 -45.5 27.7 29.7 18.3 66 66 A I H X S+ 0 0 7 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.915 113.2 46.3 -58.7 -45.8 28.0 27.6 21.5 67 67 A R H X S+ 0 0 101 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.914 115.1 47.3 -63.3 -44.4 28.7 30.7 23.6 68 68 A E H >< S+ 0 0 118 -4,-2.6 3,-0.6 -5,-0.2 -2,-0.2 0.923 115.6 43.9 -64.2 -45.8 25.8 32.5 22.0 69 69 A K H 3< S+ 0 0 34 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 113.4 49.4 -71.0 -34.9 23.3 29.6 22.3 70 70 A T H 3< S- 0 0 0 -4,-2.5 7,-2.9 -5,-0.3 -1,-0.2 0.512 109.3-129.4 -84.3 -0.8 24.2 28.7 25.9 71 71 A G << - 0 0 9 -3,-0.6 2,-0.3 -4,-0.6 -1,-0.2 -0.063 21.0-142.6 82.5 174.5 23.9 32.3 27.1 72 72 A D > + 0 0 109 1,-0.1 3,-1.2 -4,-0.1 4,-0.1 -0.906 65.1 78.4-160.0-174.0 26.2 34.6 29.1 73 73 A G T 3 S- 0 0 84 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.825 135.6 -41.3 68.6 29.7 26.1 37.4 31.7 74 74 A G T 3 S+ 0 0 78 1,-0.4 -1,-0.3 -3,-0.1 2,-0.0 0.092 112.3 133.0 102.6 -20.8 25.7 34.6 34.3 75 75 A L < - 0 0 102 -3,-1.2 -1,-0.4 1,-0.1 2,-0.2 -0.298 33.7-175.6 -65.6 145.7 23.2 32.8 32.0 76 76 A L + 0 0 99 -3,-0.1 2,-0.9 -4,-0.1 -5,-0.2 -0.689 4.7 177.7-145.1 82.9 23.6 29.0 31.5 77 77 A I + 0 0 74 -7,-2.9 -2,-0.0 -2,-0.2 -6,-0.0 -0.792 7.7 172.1 -95.6 103.9 21.1 27.7 29.0 78 78 A L S S+ 0 0 59 -2,-0.9 -1,-0.1 1,-0.2 -8,-0.1 0.384 78.2 49.5 -91.5 4.2 21.7 23.9 28.5 79 79 A N S S+ 0 0 147 -10,-0.1 -1,-0.2 -9,-0.1 40,-0.1 -0.444 79.6 172.2-136.3 57.8 18.6 23.5 26.4 80 80 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 -10,-0.1 -0.302 37.7-111.6 -69.5 153.7 18.9 26.3 23.9 81 81 A K + 0 0 156 -12,-0.1 42,-0.1 1,-0.1 41,-0.0 -0.760 50.9 150.8 -85.8 128.1 16.5 26.6 20.9 82 82 A V >> + 0 0 3 -2,-0.5 3,-1.9 40,-0.2 4,-0.6 0.394 31.5 107.5-139.3 1.1 18.4 25.8 17.7 83 83 A D G >4 S+ 0 0 39 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.877 81.7 52.8 -52.8 -43.8 16.0 24.3 15.2 84 84 A G G 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.571 110.8 50.1 -70.9 -5.7 15.8 27.5 13.0 85 85 A D G X4 S+ 0 0 39 -3,-1.9 3,-2.4 1,-0.1 4,-0.3 0.474 73.7 103.3-111.0 -2.8 19.6 27.5 12.8 86 86 A L G X< S+ 0 0 0 -3,-1.0 3,-2.6 -4,-0.6 -2,-0.1 0.869 76.8 59.5 -48.3 -45.5 20.5 23.9 11.7 87 87 A D G 3 S+ 0 0 64 -4,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.548 98.8 59.3 -65.9 -3.1 21.2 24.9 8.1 88 88 A K G < S+ 0 0 152 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.403 95.1 68.2 -99.5 -0.3 23.9 27.3 9.3 89 89 A Y S < S+ 0 0 5 -3,-2.6 12,-0.5 -4,-0.3 2,-0.3 0.158 109.7 4.6-104.9 16.9 25.7 24.3 10.9 90 90 A G S S- 0 0 17 -3,-0.3 2,-0.3 10,-0.1 10,-0.2 -0.915 74.8 -94.0-170.5-164.9 26.7 22.4 7.8 91 91 A R E -E 99 0A 156 8,-1.6 8,-3.2 -2,-0.3 2,-0.5 -0.945 27.0-115.6-134.0 154.4 26.9 22.4 4.0 92 92 A Y E -E 98 0A 97 -2,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.782 18.0-162.1 -84.6 126.3 24.8 21.0 1.2 93 93 A I S S- 0 0 48 4,-3.6 2,-0.2 -2,-0.5 -1,-0.2 0.914 78.0 -23.0 -72.9 -44.4 26.8 18.4 -0.6 94 94 A D S S- 0 0 66 3,-0.9 -1,-0.0 -3,-0.1 0, 0.0 -0.562 97.2 -62.5-139.8-154.2 24.4 18.8 -3.5 95 95 A D S S+ 0 0 136 -2,-0.2 3,-0.1 1,-0.1 -3,-0.0 0.502 131.6 29.7 -81.4 -2.5 20.8 20.0 -3.8 96 96 A K S S+ 0 0 50 1,-0.2 -65,-2.7 -66,-0.1 2,-0.6 0.685 103.6 71.5-125.0 -29.2 19.5 17.2 -1.6 97 97 A I E -c 31 0A 3 -67,-0.2 -4,-3.6 -65,-0.1 -3,-0.9 -0.837 53.4-170.1-102.3 118.2 22.1 16.1 1.0 98 98 A F E -cE 32 92A 3 -67,-3.0 -65,-3.0 -2,-0.6 2,-0.5 -0.921 13.5-151.5-107.0 119.7 22.9 18.4 3.9 99 99 A L E +cE 33 91A 0 -8,-3.2 -8,-1.6 -2,-0.6 2,-0.4 -0.791 15.5 179.6 -99.7 129.2 25.9 17.3 5.9 100 100 A I E -c 34 0A 0 -67,-2.3 -65,-2.5 -2,-0.5 2,-0.6 -0.989 14.0-153.1-124.9 132.1 26.5 18.1 9.6 101 101 A R E -c 35 0A 52 -12,-0.5 -42,-3.1 -44,-0.4 -41,-0.2 -0.925 2.6-161.7-109.6 121.1 29.5 16.9 11.5 102 102 A M - 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