==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-AUG-05 2AUV . COMPND 2 MOLECULE: POTENTIAL NAD-REDUCING HYDROGENASE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO FRUCTOSOVORANS; . AUTHOR M.NOUAILLER,X.MORELLI,O.BORNET,B.CHETRIT,Z.DERMOUN, . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 54.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 3.5 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 . 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 . 7 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 1 0 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 202 0, 0.0 46,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.4 10.7 -5.8 -9.6 2 2 A V + 0 0 117 1,-0.1 2,-0.6 3,-0.0 3,-0.1 0.959 360.0 57.4 -64.2 -52.2 12.1 -2.3 -10.1 3 3 A P S S- 0 0 36 0, 0.0 41,-0.2 0, 0.0 36,-0.1 -0.759 104.7-129.6 -67.7 119.9 10.6 -1.8 -6.6 4 4 A K - 0 0 145 -2,-0.6 40,-0.2 39,-0.3 41,-0.1 0.896 21.8-131.0 -42.6 -65.8 12.4 -4.5 -4.8 5 5 A G + 0 0 20 39,-2.4 40,-0.2 41,-0.3 42,-0.2 0.691 54.7 144.5 112.4 31.7 9.5 -6.2 -3.2 6 6 A K S S+ 0 0 97 38,-2.7 61,-0.4 1,-0.3 39,-0.2 0.952 83.2 30.7 -58.9 -54.0 10.6 -6.5 0.4 7 7 A Y B S-a 46 0A 44 38,-1.5 40,-1.1 37,-0.5 2,-1.0 -0.772 82.4-155.1-108.5 82.7 7.1 -5.8 1.6 8 8 A P - 0 0 39 0, 0.0 58,-0.7 0, 0.0 2,-0.4 -0.425 22.3-151.2 -52.7 94.4 4.8 -7.2 -1.1 9 9 A I E -B 65 0B 0 -2,-1.0 40,-3.2 56,-0.3 2,-0.7 -0.623 8.0-150.7 -85.1 127.7 1.8 -5.0 -0.3 10 10 A S E +Bc 64 49B 2 54,-0.9 54,-1.4 -2,-0.4 2,-0.5 -0.867 19.6 177.4-100.4 111.0 -1.7 -6.2 -1.0 11 11 A V - 0 0 10 -2,-0.7 2,-0.4 38,-0.5 52,-0.1 -0.964 27.7-126.7-117.2 124.1 -4.1 -3.4 -1.8 12 12 A C + 0 0 25 -2,-0.5 42,-0.1 50,-0.3 39,-0.1 -0.559 41.9 152.5 -67.4 121.2 -7.8 -4.0 -2.7 13 13 A M + 0 0 82 -2,-0.4 -1,-0.2 40,-0.1 10,-0.0 -0.014 35.1 140.7-123.8 23.1 -8.7 -2.2 -5.9 14 14 A G > - 0 0 17 36,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.012 68.2 -93.5 -67.0 177.4 -11.4 -4.8 -6.6 15 15 A T H > S+ 0 0 133 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.861 119.5 40.6 -64.3 -43.9 -14.9 -4.1 -8.0 16 16 A A H 4 S+ 0 0 73 2,-0.2 3,-0.5 1,-0.2 4,-0.4 0.968 121.7 38.5 -69.9 -55.6 -16.8 -3.6 -4.8 17 17 A C H >4>S+ 0 0 40 1,-0.2 3,-1.1 2,-0.2 5,-0.7 0.858 112.0 59.3 -66.5 -34.9 -14.2 -1.7 -2.8 18 18 A F H ><>S+ 0 0 89 -4,-2.7 3,-1.5 1,-0.2 5,-0.6 0.826 95.3 63.7 -62.2 -32.2 -13.1 0.4 -5.8 19 19 A V T 3<5S+ 0 0 119 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.696 85.8 72.6 -70.9 -18.7 -16.6 1.8 -6.3 20 20 A K T < 5S- 0 0 173 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.1 0.348 122.6-101.2 -80.7 8.4 -16.5 3.5 -2.9 21 21 A G T X>5S+ 0 0 39 -3,-1.5 4,-0.8 3,-0.0 3,-0.7 0.669 80.1 140.1 83.0 23.8 -14.1 6.0 -4.5 22 22 A A H 3>< + 0 0 18 -5,-0.7 4,-3.1 -4,-0.4 5,-0.3 0.745 53.7 77.2 -73.4 -21.1 -11.1 4.3 -3.0 23 23 A D H 3> S+ 0 0 162 -3,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.896 114.3 46.5 -66.9 -37.0 -8.4 8.5 -5.6 25 25 A V H X S+ 0 0 51 -4,-0.8 4,-1.2 2,-0.2 -1,-0.2 0.882 112.4 48.7 -72.5 -38.2 -7.3 7.8 -2.1 26 26 A V H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.807 103.4 64.7 -66.2 -28.4 -5.1 4.9 -3.2 27 27 A H H X S+ 0 0 86 -4,-2.2 4,-2.1 -5,-0.3 5,-0.3 0.904 95.4 56.7 -58.5 -40.5 -3.8 7.3 -5.8 28 28 A A H X S+ 0 0 34 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.953 107.5 48.3 -51.0 -51.3 -2.5 9.3 -2.9 29 29 A F H X S+ 0 0 6 -4,-1.2 4,-1.5 44,-0.3 -2,-0.2 0.883 104.1 60.0 -53.7 -48.8 -0.6 6.1 -1.9 30 30 A K H >X S+ 0 0 118 -4,-2.5 4,-0.6 1,-0.3 3,-0.6 0.929 113.9 36.1 -46.7 -49.5 0.6 5.7 -5.5 31 31 A E H 3< S+ 0 0 124 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.753 105.9 70.6 -78.0 -26.8 2.4 9.0 -5.3 32 32 A Q H 3< S+ 0 0 25 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.757 86.5 65.1 -60.5 -29.9 3.2 8.4 -1.6 33 33 A L H << S+ 0 0 24 -4,-1.5 2,-1.1 -3,-0.6 -1,-0.2 0.976 73.3 167.0 -48.4 -55.7 5.7 5.8 -2.9 34 34 A K < - 0 0 133 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.143 27.9-163.5 61.0 -18.8 7.3 8.9 -4.3 35 35 A I - 0 0 77 -2,-1.1 5,-0.1 3,-0.1 -4,-0.0 0.265 27.0-137.6 51.7-164.5 10.2 6.6 -4.9 36 36 A D S S- 0 0 92 5,-0.1 4,-0.1 7,-0.0 -1,-0.1 0.180 80.9 -40.7-155.5 -55.6 13.8 7.4 -5.6 37 37 A I S S+ 0 0 132 2,-0.2 3,-0.1 -35,-0.1 -2,-0.1 0.092 141.6 0.9-167.5 10.0 15.0 5.1 -8.3 38 38 A G S S- 0 0 10 -35,-0.0 2,-0.3 1,-0.0 -3,-0.1 0.147 129.9 -3.9-177.9 -51.8 13.3 2.0 -7.1 39 39 A D S S- 0 0 0 -36,-0.1 4,-0.3 5,-0.1 -2,-0.2 -0.956 82.1 -75.2-169.7 143.0 11.4 2.9 -4.0 40 40 A V S S+ 0 0 7 -2,-0.3 -1,-0.0 1,-0.2 -7,-0.0 0.482 129.1 18.2 18.8 -68.3 10.6 5.5 -1.5 41 41 A T S S- 0 0 73 -5,-0.0 -1,-0.2 -4,-0.0 3,-0.2 -0.881 122.3 -87.5-135.3 94.6 13.9 5.3 0.2 42 42 A P S S+ 0 0 73 0, 0.0 -2,-0.2 0, 0.0 0, 0.0 0.447 107.3 85.8 -33.1 89.6 15.9 3.7 -2.3 43 43 A D S S- 0 0 51 -4,-0.3 -39,-0.3 3,-0.0 -3,-0.1 0.421 91.5-107.8-144.4 -65.1 15.1 0.2 -1.3 44 44 A G + 0 0 0 -41,-0.2 -38,-2.7 -3,-0.2 -39,-2.4 0.602 55.8 152.0 113.5 37.4 12.0 -1.5 -2.7 45 45 A R + 0 0 79 -39,-0.2 -38,-1.5 -40,-0.2 2,-0.3 0.888 60.8 68.0 -61.2 -42.3 9.9 -1.4 0.5 46 46 A F B +a 7 0A 0 -40,-0.1 -41,-0.3 39,-0.1 -40,-0.2 -0.590 44.6 160.2 -84.1 136.9 6.9 -1.3 -1.7 47 47 A S - 0 0 31 -40,-1.1 19,-0.2 -2,-0.3 2,-0.1 -0.410 27.9-172.1-145.0 65.3 5.7 -4.2 -3.8 48 48 A I + 0 0 68 -40,-0.2 2,-0.3 -38,-0.1 -38,-0.2 -0.372 16.1 149.9 -71.0 129.2 2.1 -3.3 -4.3 49 49 A D B -c 10 0B 66 -40,-3.2 -38,-0.5 -2,-0.1 4,-0.5 -0.904 40.8-143.5-154.9 138.9 -0.4 -5.6 -5.9 50 50 A T S S+ 0 0 53 -2,-0.3 3,-0.4 -40,-0.3 -36,-0.1 0.843 78.8 91.8 -43.9 -45.4 -4.1 -6.3 -5.7 51 51 A L S S+ 0 0 150 1,-0.3 -1,-0.2 -41,-0.1 -41,-0.1 0.634 88.9 38.1 -53.2 -41.5 -3.9 -10.0 -6.2 52 52 A R S S+ 0 0 139 -3,-0.4 -1,-0.3 -43,-0.1 -2,-0.1 0.977 114.3 60.9 -64.4 -57.3 -3.6 -11.3 -2.6 53 53 A C S S+ 0 0 13 -4,-0.5 -42,-0.1 -3,-0.4 -40,-0.1 -0.059 73.8 68.9 -66.3 170.5 -6.0 -8.7 -1.2 54 54 A V S S+ 0 0 75 -44,-0.1 2,-0.3 -42,-0.1 -1,-0.2 0.733 72.4 128.7 73.1 28.7 -9.7 -8.4 -2.3 55 55 A G S S- 0 0 51 1,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.518 89.1 -70.5-114.7 64.2 -10.0 -11.7 -0.5 56 56 A G S S+ 0 0 87 -2,-0.3 -3,-0.0 1,-0.1 -1,-0.0 0.944 99.5 114.1 62.5 57.5 -12.9 -11.4 1.9 57 57 A C > + 0 0 37 5,-0.1 3,-2.2 3,-0.0 -1,-0.1 0.664 29.1 103.6-133.2 -33.3 -11.3 -9.0 4.4 58 58 A A T 3 + 0 0 73 1,-0.3 4,-0.0 3,-0.1 -2,-0.0 0.554 66.2 74.8 -49.0 -26.4 -13.1 -5.6 4.4 59 59 A L T 3 S+ 0 0 187 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.487 107.3 42.3 -73.7 3.4 -15.1 -6.0 7.6 60 60 A A S < S- 0 0 49 -3,-2.2 2,-0.7 2,-0.0 -3,-0.0 -0.929 105.6-105.2-119.9 158.4 -11.6 -5.4 9.2 61 61 A P - 0 0 120 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.770 45.9-171.7 -76.1 118.6 -9.3 -2.8 7.8 62 62 A I + 0 0 64 -2,-0.7 2,-0.3 9,-0.0 -50,-0.3 -0.943 19.7 159.7-110.3 131.7 -6.6 -4.8 5.9 63 63 A V - 0 0 3 7,-0.6 2,-0.5 -2,-0.5 7,-0.2 -0.928 18.6-165.5-138.7 125.9 -3.4 -3.4 4.5 64 64 A M E +B 10 0B 39 -54,-1.4 -54,-0.9 -2,-0.3 2,-0.4 -0.925 17.9 174.4-112.3 136.8 -0.6 -5.8 3.7 65 65 A V E >> -B 9 0B 1 -2,-0.5 3,-2.7 1,-0.4 4,-1.4 -0.929 64.7 -67.5-124.7 114.7 3.0 -5.0 3.0 66 66 A G G >4 S- 0 0 0 -58,-0.7 3,-0.8 -2,-0.4 -1,-0.4 0.046 108.1 -24.5 44.2-145.9 4.9 -8.3 2.7 67 67 A E G 34 S+ 0 0 168 -61,-0.4 -1,-0.3 1,-0.2 -60,-0.1 0.062 135.0 75.7 -79.5 25.9 5.2 -10.2 5.9 68 68 A K G <4 S- 0 0 90 -3,-2.7 -1,-0.2 -60,-0.1 -2,-0.2 0.791 75.3-163.3-106.9 -40.8 4.7 -6.7 7.5 69 69 A V << + 0 0 84 -4,-1.4 -5,-0.3 -3,-0.8 2,-0.1 0.951 21.9 168.4 46.3 99.5 0.9 -6.2 7.1 70 70 A Y - 0 0 67 -7,-0.2 -7,-0.6 2,-0.1 11,-0.0 -0.127 44.4-109.2-117.0-153.2 0.3 -2.4 7.6 71 71 A G + 0 0 17 10,-0.1 2,-1.2 6,-0.1 10,-0.2 0.137 68.0 121.1-134.5 17.1 -2.4 0.3 7.2 72 72 A N + 0 0 0 9,-0.2 -2,-0.1 1,-0.1 -8,-0.1 -0.724 41.3 111.6 -89.5 98.5 -1.0 2.4 4.4 73 73 A V S S- 0 0 12 -2,-1.2 -44,-0.3 -10,-0.1 -1,-0.1 0.538 78.4 -58.5-126.4 -90.3 -3.8 2.1 1.8 74 74 A T S S+ 0 0 15 -3,-0.2 2,-2.5 -46,-0.1 4,-0.3 0.556 96.5 79.3-137.8 -66.6 -6.2 4.8 0.7 75 75 A P S S- 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -49,-0.0 -0.265 116.7 -68.4 -76.8 70.9 -8.5 6.7 3.2 76 76 A G S > S+ 0 0 28 -2,-2.5 4,-0.6 1,-0.1 3,-0.5 0.129 119.0 98.2 80.1 -19.5 -6.1 9.2 4.8 77 77 A Q H > + 0 0 73 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.807 67.2 78.4 -74.0 -22.9 -4.2 6.5 6.6 78 78 A V H > S+ 0 0 7 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.889 86.1 50.7 -48.7 -59.2 -1.8 6.7 3.8 79 79 A K H > S+ 0 0 143 -3,-0.5 4,-0.6 1,-0.3 -1,-0.2 0.841 118.8 36.0 -60.2 -39.5 0.2 9.8 4.8 80 80 A K H >X S+ 0 0 128 -4,-0.6 3,-1.0 -3,-0.3 4,-0.5 0.903 117.4 49.5 -82.4 -45.3 0.9 8.7 8.3 81 81 A I H 3X S+ 0 0 23 -4,-3.0 4,-1.4 1,-0.3 -9,-0.2 0.634 97.4 73.5 -69.4 -15.6 1.3 5.0 7.6 82 82 A L H 3< S+ 0 0 40 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.873 89.3 57.6 -63.0 -37.8 3.7 6.2 4.8 83 83 A A H << S+ 0 0 93 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.818 108.0 49.7 -57.4 -29.7 6.1 7.0 7.6 84 84 A E H < 0 0 96 -4,-0.5 -2,-0.3 1,-0.1 -1,-0.2 0.813 360.0 360.0 -73.7 -34.5 5.5 3.3 8.3 85 85 A Y < 0 0 4 -4,-1.4 -1,-0.1 -45,-0.0 -39,-0.1 -0.610 360.0 360.0 -80.0 360.0 6.2 2.3 4.7