==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-DEC-10 3Q2I . COMPND 2 MOLECULE: DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR H.M.HOLDEN,J.B.THODEN . 345 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 14.2 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 . 1 0.3 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.2 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 1 1 0 1 0 0 2 3 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 1 1 1 2 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 1 1 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 0 213 0, 0.0 2,-0.2 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 100.7 -15.4 17.8 35.2 2 2 A I - 0 0 107 1,-0.1 2,-0.4 122,-0.0 0, 0.0 -0.519 360.0 -86.9 -71.9 156.4 -17.1 17.8 38.6 3 3 A V - 0 0 138 -2,-0.2 -1,-0.1 1,-0.0 0, 0.0 -0.612 47.8-157.3 -57.5 121.3 -18.3 21.2 39.8 4 4 A I - 0 0 59 -2,-0.4 121,-0.0 -3,-0.0 120,-0.0 -0.894 21.3-111.0 -99.1 138.0 -15.3 22.7 41.6 5 5 A P - 0 0 98 0, 0.0 304,-0.1 0, 0.0 -2,-0.0 -0.484 34.3-109.4 -72.9 137.6 -16.0 25.4 44.2 6 6 A P - 0 0 71 0, 0.0 2,-0.6 0, 0.0 302,-0.2 -0.085 22.9-123.5 -56.8 156.0 -15.0 29.0 43.4 7 7 A I + 0 0 26 300,-1.7 5,-0.1 1,-0.2 0, 0.0 -0.947 43.8 163.0-105.9 120.9 -12.1 30.6 45.3 8 8 A T + 0 0 97 -2,-0.6 -1,-0.2 3,-0.1 4,-0.1 0.871 51.0 38.7-113.4 -47.8 -13.5 33.7 46.8 9 9 A D S S+ 0 0 156 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.029 106.9 44.5-117.8 26.6 -11.8 35.6 49.6 10 10 A R S S- 0 0 91 26,-0.1 2,-0.2 3,-0.0 -3,-0.0 -0.931 90.3 -85.0-149.2 171.7 -8.1 35.4 48.8 11 11 A K - 0 0 76 -2,-0.3 26,-0.3 1,-0.1 2,-0.3 -0.554 51.4-101.7 -71.7 150.6 -5.9 35.9 45.8 12 12 A I E -a 37 0A 0 24,-3.0 26,-2.6 -2,-0.2 2,-0.4 -0.594 39.2-131.9 -65.6 136.9 -5.5 32.9 43.5 13 13 A R E -a 38 0A 57 -2,-0.3 62,-2.5 24,-0.2 63,-1.8 -0.830 22.9-169.4-102.6 129.9 -2.1 31.2 44.2 14 14 A F E -ab 39 76A 0 24,-2.8 26,-2.2 -2,-0.4 27,-0.9 -0.894 9.3-168.6-114.0 144.7 0.3 30.3 41.3 15 15 A A E -ab 41 77A 0 61,-2.4 63,-3.1 -2,-0.3 2,-0.4 -0.937 14.2-155.8-121.9 152.3 3.5 28.2 41.3 16 16 A L E -ab 42 78A 0 25,-2.0 27,-1.9 -2,-0.3 2,-0.5 -0.991 9.4-163.7-132.6 137.7 5.8 28.2 38.2 17 17 A V E +ab 43 79A 6 61,-2.8 63,-3.0 -2,-0.4 27,-0.2 -0.976 67.1 39.7-121.9 129.7 8.4 25.7 36.9 18 18 A G - 0 0 7 25,-3.1 2,-1.6 -2,-0.5 26,-0.2 0.800 61.4-155.6 98.0 84.9 10.9 26.7 34.3 19 19 A C + 0 0 11 24,-0.3 34,-0.1 -3,-0.1 -1,-0.1 -0.436 52.6 110.5 -95.6 61.9 12.3 30.1 34.9 20 20 A G S > S- 0 0 45 -2,-1.6 4,-0.9 60,-0.4 3,-0.1 -0.079 80.0 -42.4-107.5-145.0 13.4 30.9 31.3 21 21 A R T >4 S+ 0 0 145 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.910 130.7 36.6 -56.5 -57.2 12.5 33.2 28.5 22 22 A I T >> S+ 0 0 58 1,-0.3 4,-1.3 58,-0.2 3,-0.8 0.738 100.4 76.2 -79.2 -16.1 8.7 33.1 28.4 23 23 A A H 3> S+ 0 0 0 1,-0.2 4,-3.2 57,-0.2 3,-0.4 0.874 86.7 66.0 -56.6 -32.7 8.5 32.9 32.2 24 24 A N H S+ 0 0 72 -3,-0.8 4,-1.7 -4,-0.5 -1,-0.2 0.786 111.0 50.2 -70.0 -30.0 5.9 37.2 30.3 26 26 A H H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 5,-0.2 0.893 109.1 51.5 -73.5 -43.4 4.1 35.2 32.9 27 27 A F H X S+ 0 0 13 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.957 112.1 47.1 -54.4 -51.5 5.9 37.2 35.7 28 28 A G H X S+ 0 0 20 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.920 112.4 50.0 -54.4 -45.9 4.7 40.4 34.0 29 29 A A H X S+ 0 0 1 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.895 112.4 46.1 -61.0 -43.6 1.2 39.1 33.6 30 30 A L H < S+ 0 0 9 -4,-2.6 7,-0.2 2,-0.2 -2,-0.2 0.884 108.8 56.0 -69.7 -39.3 1.0 38.1 37.3 31 31 A E H >< S+ 0 0 95 -4,-3.0 3,-1.4 1,-0.2 -2,-0.2 0.918 107.7 50.0 -55.4 -48.7 2.5 41.5 38.3 32 32 A K H 3< S+ 0 0 141 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.890 113.2 44.7 -52.3 -42.3 -0.4 43.1 36.4 33 33 A H T >X S+ 0 0 34 -4,-1.5 3,-2.0 1,-0.2 4,-1.9 0.116 75.7 131.7 -97.1 27.8 -3.0 40.9 38.1 34 34 A A T <4 + 0 0 43 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.685 65.5 57.0 -60.3 -20.4 -1.4 41.4 41.6 35 35 A D T 34 S+ 0 0 151 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.755 119.8 29.1 -78.2 -22.1 -4.7 42.2 43.3 36 36 A R T <4 S+ 0 0 65 -3,-2.0 -24,-3.0 1,-0.2 2,-0.3 0.550 126.4 33.5-108.1 -17.6 -6.4 38.9 42.2 37 37 A A E < -a 12 0A 3 -4,-1.9 2,-0.3 -26,-0.3 -1,-0.2 -0.991 54.7-167.1-146.4 146.4 -3.3 36.7 42.0 38 38 A E E -a 13 0A 81 -26,-2.6 -24,-2.8 -2,-0.3 2,-0.7 -0.997 20.5-136.2-137.4 149.3 0.1 36.0 43.5 39 39 A L E +a 14 0A 23 -2,-0.3 -24,-0.2 -26,-0.2 3,-0.1 -0.882 30.3 167.3 -98.4 113.2 3.1 33.9 42.5 40 40 A I E + 0 0 25 -26,-2.2 20,-2.0 -2,-0.7 2,-0.3 0.570 57.7 28.9-107.4 -14.1 4.3 32.1 45.7 41 41 A D E -ac 15 60A 2 -27,-0.9 -25,-2.0 18,-0.2 2,-0.3 -0.990 56.7-172.5-152.9 137.9 6.7 29.4 44.5 42 42 A V E -ac 16 61A 0 18,-2.9 20,-1.6 -2,-0.3 2,-0.4 -0.950 7.0-162.2-132.1 152.1 9.2 29.1 41.5 43 43 A C E +ac 17 62A 1 -27,-1.9 -25,-3.1 -2,-0.3 2,-0.3 -0.999 17.2 155.0-141.0 133.9 11.3 26.2 40.4 44 44 A D - 0 0 23 18,-1.7 6,-0.1 -2,-0.4 -2,-0.0 -0.953 36.6-143.8-153.9 139.2 14.3 25.8 38.1 45 45 A I S S+ 0 0 150 -2,-0.3 18,-0.1 1,-0.1 -1,-0.0 0.565 89.4 78.3 -77.7 -9.5 17.0 23.2 37.9 46 46 A D S > S- 0 0 84 1,-0.1 4,-2.1 2,-0.0 3,-0.5 -0.910 75.6-149.4-100.5 111.5 19.5 25.9 37.0 47 47 A P H > S+ 0 0 100 0, 0.0 4,-3.0 0, 0.0 -1,-0.1 0.848 93.3 48.8 -47.3 -45.5 20.6 27.8 40.2 48 48 A A H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.882 110.3 48.5 -64.3 -43.0 21.1 31.2 38.4 49 49 A A H > S+ 0 0 29 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.889 114.8 47.6 -65.2 -39.2 17.9 31.2 36.5 50 50 A L H X S+ 0 0 25 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.933 108.8 54.6 -65.1 -42.7 16.1 30.4 39.7 51 51 A K H X S+ 0 0 122 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.925 108.0 48.9 -55.4 -48.7 18.0 33.1 41.6 52 52 A A H X S+ 0 0 61 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 112.8 47.6 -60.8 -41.7 16.9 35.7 39.1 53 53 A A H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 6,-0.4 0.913 111.4 49.2 -66.6 -45.2 13.3 34.7 39.3 54 54 A V H X S+ 0 0 42 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.917 113.3 47.4 -62.0 -40.6 13.2 34.6 43.1 55 55 A E H < S+ 0 0 131 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.931 116.1 44.5 -69.9 -36.9 14.7 38.0 43.4 56 56 A R H < S+ 0 0 99 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.868 126.5 26.8 -68.6 -40.4 12.4 39.5 40.8 57 57 A T H < S- 0 0 36 -4,-2.5 -18,-0.2 -5,-0.1 -2,-0.2 0.660 90.2-131.1-106.8 -20.8 9.1 38.0 42.0 58 58 A G < + 0 0 67 -4,-2.2 -4,-0.1 -5,-0.3 -3,-0.1 0.353 60.3 138.7 82.2 -7.3 9.7 37.4 45.8 59 59 A A - 0 0 5 -6,-0.4 -1,-0.3 1,-0.1 -18,-0.2 -0.294 62.6 -96.8 -62.9 156.6 8.4 33.8 45.5 60 60 A R E -c 41 0A 173 -20,-2.0 -18,-2.9 -3,-0.1 2,-0.3 -0.535 42.3-129.4 -69.5 149.5 10.1 30.9 47.3 61 61 A G E -c 42 0A 36 -20,-0.2 2,-0.3 -2,-0.2 -18,-0.2 -0.677 22.5-173.4-104.4 148.1 12.6 29.0 45.2 62 62 A H E -c 43 0A 13 -20,-1.6 -18,-1.7 -2,-0.3 3,-0.0 -1.000 22.8-148.8-141.8 149.5 12.9 25.2 44.6 63 63 A A S S+ 0 0 70 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.1 0.529 84.4 31.3 -93.2 -15.7 15.5 23.1 42.9 64 64 A S > - 0 0 38 1,-0.1 4,-2.1 -19,-0.0 5,-0.1 -0.995 69.8-131.4-138.4 152.8 13.1 20.3 41.7 65 65 A L H > S+ 0 0 15 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.903 108.3 59.1 -62.8 -41.6 9.4 20.2 40.7 66 66 A T H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 108.7 44.8 -60.3 -41.1 8.8 17.2 43.0 67 67 A D H > S+ 0 0 79 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.911 110.7 52.4 -63.5 -50.7 10.0 19.2 46.0 68 68 A M H >X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 3,-0.9 0.900 108.9 52.1 -53.9 -38.1 8.0 22.3 45.0 69 69 A L H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.837 105.1 54.8 -71.3 -33.7 4.9 20.1 44.7 70 70 A A H 3< S+ 0 0 86 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.667 121.7 29.4 -64.9 -19.4 5.4 18.7 48.2 71 71 A Q H << S+ 0 0 124 -3,-0.9 -2,-0.2 -4,-0.9 -3,-0.1 0.799 95.1 89.9-112.2 -38.6 5.5 22.3 49.6 72 72 A T < - 0 0 11 -4,-3.0 -57,-0.1 -5,-0.2 -31,-0.0 -0.255 46.5-163.1 -74.4 146.5 3.4 24.7 47.6 73 73 A D + 0 0 85 -59,-0.1 -60,-0.2 3,-0.0 -1,-0.1 -0.179 42.4 147.4-110.4 38.7 -0.3 25.4 48.3 74 74 A A - 0 0 7 1,-0.1 -60,-0.2 -62,-0.1 3,-0.1 -0.405 48.0-145.6 -64.4 152.1 -0.6 27.0 44.9 75 75 A D S S+ 0 0 20 -62,-2.5 24,-1.6 1,-0.2 2,-0.4 0.825 87.4 27.5 -78.4 -43.2 -4.0 26.6 43.1 76 76 A I E -bd 14 99A 0 -63,-1.8 -61,-2.4 22,-0.2 2,-0.5 -0.966 67.7-150.8-126.3 139.4 -2.3 26.4 39.7 77 77 A V E -bd 15 100A 0 22,-2.3 24,-2.7 -2,-0.4 2,-0.4 -0.951 18.7-147.7-111.6 125.4 1.2 25.1 38.7 78 78 A I E -bd 16 101A 0 -63,-3.1 -61,-2.8 -2,-0.5 2,-0.7 -0.816 3.0-149.6-101.2 130.7 2.4 26.9 35.5 79 79 A L E +bd 17 102A 0 22,-2.8 24,-2.2 -2,-0.4 -61,-0.2 -0.886 32.4 154.0-107.0 106.5 4.7 24.9 33.2 80 80 A T + 0 0 10 -63,-3.0 -60,-0.4 -2,-0.7 -57,-0.2 -0.117 41.2 115.1-122.1 34.4 7.2 27.1 31.3 81 81 A T S S- 0 0 19 1,-0.2 5,-0.1 -64,-0.1 22,-0.1 -0.307 83.1 -53.6 -87.3 170.8 9.8 24.3 30.8 82 82 A P >> - 0 0 33 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.289 59.9-114.7 -47.2 142.1 11.0 22.7 27.6 83 83 A S G >4 S+ 0 0 7 98,-0.4 3,-1.5 1,-0.3 99,-0.2 0.821 111.4 58.4 -56.8 -43.5 7.9 21.6 25.6 84 84 A G G 34 S+ 0 0 11 97,-1.8 4,-0.4 1,-0.3 -1,-0.3 0.596 103.0 56.2 -66.7 -11.8 8.7 17.8 25.7 85 85 A L G <> S+ 0 0 58 -3,-2.1 4,-2.4 96,-0.3 5,-0.3 0.678 82.9 86.4 -89.9 -12.9 8.7 18.0 29.5 86 86 A H H S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.963 112.2 41.1 -61.6 -51.7 3.4 16.0 29.8 88 88 A T H > S+ 0 0 95 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.912 119.8 47.0 -61.7 -42.4 5.3 14.3 32.5 89 89 A Q H X S+ 0 0 27 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.921 112.0 49.3 -64.6 -45.7 5.3 17.5 34.6 90 90 A S H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.3 5,-0.2 0.937 111.0 49.7 -56.5 -49.6 1.5 18.1 34.1 91 91 A I H X S+ 0 0 38 -4,-2.5 4,-2.9 -5,-0.3 -1,-0.2 0.930 110.8 49.8 -58.7 -41.7 0.7 14.5 35.0 92 92 A E H X S+ 0 0 65 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.942 112.2 48.5 -62.1 -47.1 2.8 14.8 38.2 93 93 A C H ><>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-0.6 0.929 113.2 47.3 -54.1 -51.1 1.0 18.1 39.1 94 94 A S H ><5S+ 0 0 1 -4,-3.2 3,-1.8 1,-0.2 -2,-0.2 0.926 110.4 51.2 -59.4 -45.8 -2.4 16.5 38.4 95 95 A E H 3<5S+ 0 0 144 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.706 108.5 53.2 -67.3 -20.6 -1.6 13.4 40.5 96 96 A A T <<5S- 0 0 55 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.283 126.5 -98.6 -92.5 4.7 -0.5 15.7 43.4 97 97 A G T < 5S+ 0 0 36 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.672 77.2 130.2 91.3 21.3 -3.8 17.6 43.3 98 98 A F < - 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