==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-MAY-12 4FB5 . COMPND 2 MOLECULE: PROBABLE OXIDOREDUCTASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; . AUTHOR S.ESWARAMOORTHY,S.C.ALMO,S.SWAMINATHAN,NEW YORK STRUCTURAL G . 734 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 539 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 14.6 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 50 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 2 1 1 1 0 5 2 0 2 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 2 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 PARALLEL BRIDGES PER LADDER . 1 4 2 5 2 0 1 4 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 2 0 1 1 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 2 A K 0 0 123 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 142.1 -39.0 -47.2 5.3 2 3 A P - 0 0 71 0, 0.0 2,-0.2 0, 0.0 31,-0.1 -0.314 360.0-102.5 -56.5 148.5 -40.8 -44.3 7.1 3 4 A L - 0 0 25 29,-0.5 32,-2.9 69,-0.1 2,-0.6 -0.564 25.1-140.0 -92.1 141.6 -38.2 -41.9 8.6 4 5 A G E -a 35 0A 2 -2,-0.2 68,-2.9 30,-0.2 69,-2.3 -0.858 20.0-150.3-105.9 121.6 -37.3 -41.8 12.2 5 6 A I E -ab 36 73A 0 30,-3.6 32,-1.9 -2,-0.6 33,-1.5 -0.742 16.4-173.6-105.1 130.6 -36.8 -38.4 13.7 6 7 A G E -ab 38 74A 0 67,-3.0 69,-2.9 -2,-0.4 2,-0.5 -0.978 13.4-164.9-111.0 128.9 -34.6 -37.3 16.5 7 8 A L E -ab 39 75A 0 31,-2.3 33,-1.8 -2,-0.5 2,-0.4 -0.960 6.8-168.3-114.1 133.5 -35.0 -33.6 17.6 8 9 A I E +ab 40 76A 4 67,-2.7 69,-1.7 -2,-0.5 33,-0.2 -0.982 61.4 27.0-115.8 129.1 -32.6 -31.7 19.8 9 10 A G - 0 0 5 31,-2.0 31,-0.1 -2,-0.4 69,-0.1 0.158 52.6-156.8 93.5 143.0 -33.7 -28.3 21.2 10 11 A T + 0 0 2 4,-0.1 5,-0.2 67,-0.1 68,-0.1 0.345 54.9 111.4-139.4 0.1 -37.3 -27.2 22.0 11 12 A G S >> S- 0 0 46 66,-0.2 4,-2.0 3,-0.1 3,-1.2 0.061 97.9 -60.4 -56.0-176.1 -37.1 -23.4 21.9 12 13 A Y H 3> S+ 0 0 43 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.868 140.3 49.9 -47.4 -50.2 -38.9 -21.9 18.9 13 14 A X H 3> S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.883 108.8 54.1 -61.9 -29.6 -37.0 -23.5 16.2 14 15 A G H <> S+ 0 0 1 -3,-1.2 4,-3.0 63,-0.3 -1,-0.2 0.954 108.4 49.5 -64.4 -46.6 -37.5 -26.9 17.9 15 16 A K H X S+ 0 0 16 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.887 110.8 50.5 -56.3 -42.1 -41.2 -26.3 17.9 16 17 A C H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.929 110.1 46.8 -71.0 -46.5 -41.2 -25.4 14.3 17 18 A H H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.979 113.0 53.2 -51.5 -50.6 -39.2 -28.5 13.1 18 19 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.3 -2,-0.2 0.900 109.7 45.6 -57.3 -40.5 -41.6 -30.5 15.2 19 20 A L H < S+ 0 0 18 -4,-2.3 -1,-0.3 2,-0.2 4,-0.3 0.856 113.4 51.8 -68.7 -34.5 -44.6 -29.0 13.5 20 21 A A H >X S+ 0 0 1 -4,-2.3 4,-2.3 -3,-0.3 3,-2.3 0.978 110.2 45.6 -65.3 -54.7 -43.0 -29.5 10.2 21 22 A W H 3< S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.3 -2,-0.2 0.895 111.5 55.2 -56.8 -38.6 -42.2 -33.2 10.7 22 23 A N T 3< S+ 0 0 3 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.560 119.1 31.1 -70.9 -5.0 -45.7 -33.7 12.1 23 24 A A T <> S+ 0 0 11 -3,-2.3 4,-2.4 -4,-0.3 5,-0.3 0.657 83.6 93.9-130.9 -22.8 -47.3 -32.3 8.9 24 25 A V H X>S+ 0 0 1 -4,-2.3 4,-3.6 1,-0.2 5,-0.5 0.865 92.3 48.4 -39.6 -50.4 -45.3 -32.8 5.8 25 26 A K H >5S+ 0 0 24 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.946 110.9 46.4 -68.1 -51.3 -47.2 -35.9 4.9 26 27 A T H 45S+ 0 0 1 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 121.2 40.4 -54.8 -42.6 -50.7 -34.6 5.4 27 28 A V H <5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.967 129.5 26.7 -64.7 -57.0 -49.8 -31.5 3.4 28 29 A F H <5S- 0 0 8 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.877 78.3-165.3 -85.2 -42.3 -47.7 -33.1 0.6 29 30 A G << + 0 0 18 -4,-2.5 -4,-0.1 -5,-0.5 -1,-0.1 0.136 62.7 93.6 86.2 -21.3 -49.1 -36.7 0.5 30 31 A D S S+ 0 0 81 2,-0.1 2,-0.3 -5,-0.0 -1,-0.1 0.090 78.5 61.4-100.3 21.9 -46.2 -38.2 -1.6 31 32 A V S S- 0 0 33 -6,-0.2 2,-0.4 -7,-0.1 -2,-0.1 -0.884 85.4 -83.7-144.1-176.7 -44.2 -39.5 1.3 32 33 A E - 0 0 113 -2,-0.3 -29,-0.5 -31,-0.1 -7,-0.1 -0.692 51.4-102.0 -94.0 124.9 -43.9 -41.7 4.4 33 34 A R - 0 0 68 -2,-0.4 -1,-0.1 387,-0.1 -11,-0.1 -0.114 40.6-128.7 -41.8 113.4 -45.3 -40.5 7.8 34 35 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 -30,-0.2 -0.478 17.5-136.1 -69.1 154.5 -42.3 -39.5 9.7 35 36 A R E -a 4 0A 91 -32,-2.9 -30,-3.6 -3,-0.1 2,-0.8 -0.949 4.8-142.1-115.3 127.5 -42.1 -41.0 13.1 36 37 A L E +a 5 0A 12 -2,-0.4 20,-1.5 18,-0.3 -30,-0.1 -0.837 37.6 155.1-100.2 108.5 -41.2 -38.8 16.0 37 38 A V E + 0 0 0 -32,-1.9 20,-3.6 -2,-0.8 2,-0.3 0.900 48.0 19.9-105.9 -57.5 -39.0 -41.0 18.1 38 39 A H E -ac 6 57A 15 -33,-1.5 -31,-2.3 18,-0.2 2,-0.3 -0.900 53.2-174.6-131.4 150.2 -36.5 -39.2 20.4 39 40 A L E -ac 7 58A 0 18,-0.6 20,-0.7 -2,-0.3 2,-0.3 -0.995 2.3-168.5-151.4 140.1 -36.1 -35.7 21.9 40 41 A A E ac 8 59A 2 -33,-1.8 -31,-2.0 -2,-0.3 20,-0.2 -0.894 360.0 360.0-129.6 154.5 -33.5 -33.9 23.9 41 42 A E 0 0 86 18,-0.7 5,-0.2 -2,-0.3 4,-0.2 -0.829 360.0 360.0-145.7 360.0 -33.2 -30.6 25.9 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 45 A A > 0 0 97 0, 0.0 2,-3.9 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 154.6 -33.6 -30.2 32.4 44 46 A G T 3 + 0 0 58 1,-0.3 3,-0.2 2,-0.1 4,-0.1 -0.071 360.0 109.7 -58.2 41.1 -35.9 -33.3 32.3 45 47 A L T >> + 0 0 65 -2,-3.9 4,-2.3 -4,-0.2 3,-1.0 0.472 54.1 90.6 -86.9 -9.4 -38.6 -30.9 30.9 46 48 A A H <> S+ 0 0 1 -3,-1.0 4,-2.3 1,-0.3 -1,-0.2 0.879 80.6 54.5 -51.5 -41.4 -37.8 -33.0 27.9 47 49 A E H 3> S+ 0 0 133 -3,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.806 107.8 50.1 -64.3 -28.6 -40.6 -35.3 29.1 48 50 A A H X> S+ 0 0 62 -3,-1.0 4,-1.7 2,-0.2 3,-0.6 0.947 114.8 40.7 -71.2 -52.1 -43.0 -32.4 29.2 49 51 A R H 3X S+ 0 0 75 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.806 106.2 67.2 -65.8 -32.4 -42.2 -31.1 25.7 50 52 A A H 3X>S+ 0 0 8 -4,-2.3 5,-2.2 -5,-0.3 4,-1.0 0.830 103.3 44.9 -55.7 -38.1 -42.2 -34.7 24.5 51 53 A G H X<5S+ 0 0 35 -4,-0.8 3,-0.6 -3,-0.6 -2,-0.2 0.984 112.6 51.6 -66.8 -59.0 -45.9 -34.9 25.2 52 54 A E H 3<5S+ 0 0 46 -4,-1.7 -2,-0.2 1,-0.2 346,-0.2 0.848 118.0 35.1 -44.6 -51.7 -46.6 -31.5 23.6 53 55 A F H 3<5S- 0 0 0 -4,-3.1 -1,-0.2 2,-0.1 -2,-0.2 0.654 111.8-112.8 -87.3 -15.7 -44.8 -32.3 20.3 54 56 A G T <<5 + 0 0 29 -4,-1.0 2,-0.4 -3,-0.6 -18,-0.3 0.888 57.9 153.1 87.1 42.1 -45.8 -36.0 20.1 55 57 A F < - 0 0 13 -5,-2.2 -1,-0.2 -6,-0.1 -18,-0.2 -0.863 40.5-143.3-104.5 141.0 -42.4 -37.9 20.6 56 58 A E S S+ 0 0 114 -20,-1.5 2,-0.3 -2,-0.4 -18,-0.2 0.946 81.1 33.7 -69.2 -51.8 -42.1 -41.4 22.0 57 59 A K E -c 38 0A 65 -20,-3.6 -18,-0.6 -21,-0.0 2,-0.2 -0.816 61.7-169.8-110.8 146.0 -38.9 -41.0 24.0 58 60 A A E +c 39 0A 15 -2,-0.3 2,-0.2 -20,-0.2 -18,-0.2 -0.673 14.1 156.3-112.8 174.9 -37.3 -38.1 25.9 59 61 A T E -c 40 0A 49 -20,-0.7 -18,-0.7 -2,-0.2 -14,-0.1 -0.839 41.7-135.3 176.2 162.9 -33.8 -37.6 27.5 60 62 A A S S+ 0 0 68 -2,-0.2 2,-0.6 -20,-0.2 -20,-0.1 0.205 87.2 85.2-115.6 10.7 -31.3 -34.9 28.5 61 63 A D > - 0 0 82 1,-0.1 4,-1.1 2,-0.0 3,-0.2 -0.964 54.9-175.7-108.4 115.3 -28.4 -36.7 27.0 62 64 A W H > S+ 0 0 38 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.795 82.0 64.9 -83.2 -28.9 -28.2 -35.8 23.3 63 65 A R H > S+ 0 0 148 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.729 102.9 53.9 -61.7 -19.3 -25.3 -38.2 22.6 64 66 A A H > S+ 0 0 33 2,-0.2 4,-3.0 -3,-0.2 -2,-0.2 0.889 106.1 48.2 -79.7 -46.0 -27.9 -40.8 23.5 65 67 A L H < S+ 0 0 0 -4,-1.1 6,-0.2 2,-0.2 -2,-0.2 0.932 113.8 48.8 -52.7 -49.3 -30.5 -39.6 21.0 66 68 A I H < S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.773 112.2 49.3 -64.4 -30.1 -27.7 -39.6 18.4 67 69 A A H < S+ 0 0 65 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.919 83.8 109.4 -71.8 -44.6 -26.8 -43.1 19.5 68 70 A D >< - 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0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.310 56.0-100.4 -68.9 156.0 -27.9 -22.7 20.1 80 82 A N G >4 S+ 0 0 23 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.836 116.2 58.7 -36.5 -56.5 -25.2 -21.7 17.6 81 83 A Q G 34 S+ 0 0 94 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.742 106.2 49.9 -51.3 -30.8 -22.2 -22.9 19.7 82 84 A F G <> S+ 0 0 81 -3,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.700 85.2 86.6 -86.8 -24.0 -23.5 -26.5 19.8 83 85 A H H S+ 0 0 11 -4,-0.5 4,-2.2 19,-0.4 5,-0.3 0.907 113.3 46.8 -43.8 -57.7 -20.7 -28.2 15.1 85 87 A E H > S+ 0 0 102 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.879 119.7 38.2 -55.1 -45.4 -20.4 -30.7 18.0 86 88 A X H X S+ 0 0 8 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.948 112.5 51.7 -80.5 -49.0 -23.8 -32.2 17.5 87 89 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.877 115.0 46.3 -57.0 -39.3 -24.1 -32.3 13.7 88 90 A I H X S+ 0 0 20 -4,-2.2 4,-2.7 -5,-0.4 5,-0.4 0.956 110.7 49.2 -67.7 -52.9 -20.8 -34.1 13.5 89 91 A A H X S+ 0 0 25 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.911 115.1 49.4 -54.8 -35.0 -21.5 -36.6 16.3 90 92 A A H <>S+ 0 0 0 -4,-3.1 5,-1.2 2,-0.2 -2,-0.2 0.967 112.4 44.3 -66.8 -51.8 -24.7 -37.1 14.3 91 93 A L H ><5S+ 0 0 1 -4,-2.9 3,-1.9 1,-0.2 4,-0.4 0.956 112.2 51.7 -57.8 -56.4 -23.1 -37.6 10.9 92 94 A E H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 102.9 59.9 -45.1 -42.9 -20.3 -39.8 12.3 93 95 A A T 3<5S- 0 0 47 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.079 127.7-105.0 -78.9 24.7 -23.1 -42.0 13.9 94 96 A G T < 5S+ 0 0 37 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.803 75.3 131.2 59.1 45.7 -24.3 -42.4 10.3 95 97 A K < - 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