==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-NOV-11 3VL3 . COMPND 2 MOLECULE: 3-ISOPROPYLMALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR T.NAGAE,N.WATANABE . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.0 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 . 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 . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 0 0 1 1 1 0 1 0 1 3 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 2 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 2 0 1 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 . 1 0 0 0 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 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 S 0 0 170 0, 0.0 34,-0.3 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-167.9 1.7 6.8 -6.3 2 2 A S - 0 0 38 32,-0.1 2,-0.3 1,-0.1 34,-0.2 -0.295 360.0-135.3 -71.8 138.4 -1.9 5.6 -5.8 3 3 A Y E -a 36 0A 65 32,-2.7 34,-2.6 -2,-0.0 2,-0.4 -0.657 23.1-142.4 -70.2 154.1 -4.7 5.6 -8.4 4 4 A Q E -a 37 0A 64 -2,-0.3 63,-2.9 32,-0.2 64,-0.8 -0.982 16.3-169.4-121.1 124.1 -7.9 7.0 -6.9 5 5 A I E -ab 38 68A 3 32,-2.7 34,-2.7 -2,-0.4 2,-0.6 -0.964 15.4-145.8-119.7 130.1 -11.2 5.3 -8.0 6 6 A A E -ab 39 69A 1 62,-2.4 64,-2.9 -2,-0.4 2,-0.7 -0.859 18.6-153.0 -88.5 127.2 -14.7 6.8 -7.2 7 7 A V E +ab 40 70A 4 32,-3.4 34,-2.3 -2,-0.6 2,-0.6 -0.900 19.4 175.3-110.0 115.6 -16.9 3.8 -6.6 8 8 A L E + b 0 71A 0 62,-2.4 64,-2.7 -2,-0.7 34,-0.1 -0.738 6.1 167.4-122.4 83.1 -20.6 4.5 -7.4 9 9 A A E - 0 0 19 -2,-0.6 64,-1.7 32,-0.3 -1,-0.2 0.753 21.6-179.9 -77.9 -29.8 -22.4 1.2 -7.0 10 10 A G E - b 0 73A 10 31,-0.4 64,-0.2 62,-0.2 -1,-0.2 -0.364 32.4 -18.9 71.0-130.9 -26.0 2.7 -7.1 11 11 A D S > S+ 0 0 8 62,-2.8 3,-2.4 -2,-0.1 62,-0.2 -0.535 98.0 4.2-113.7 174.5 -29.1 0.6 -6.7 12 12 A G T 3 S- 0 0 29 1,-0.3 4,-0.4 -2,-0.2 273,-0.2 -0.319 130.4 -4.5 61.3-125.9 -30.4 -3.0 -7.0 13 13 A I T 3> S+ 0 0 22 271,-2.5 4,-2.5 1,-0.2 5,-0.4 0.600 109.0 101.0 -79.2 -10.1 -27.7 -5.5 -7.7 14 14 A G H <> S+ 0 0 0 -3,-2.4 4,-2.3 1,-0.2 5,-0.2 0.897 83.0 42.1 -45.2 -54.8 -25.1 -2.7 -8.0 15 15 A P H > S+ 0 0 66 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.897 114.0 50.3 -65.7 -38.8 -23.5 -3.1 -4.6 16 16 A E H > S+ 0 0 38 -4,-0.4 4,-0.9 -3,-0.3 -2,-0.2 0.929 116.2 41.4 -71.9 -29.0 -23.5 -6.9 -4.5 17 17 A V H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.851 111.1 56.7 -82.0 -28.8 -21.8 -7.2 -7.9 18 18 A M H X S+ 0 0 7 -4,-2.3 4,-2.9 -5,-0.4 -1,-0.2 0.877 99.4 61.8 -63.3 -38.2 -19.4 -4.3 -7.1 19 19 A A H X S+ 0 0 52 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.907 106.7 44.7 -56.6 -40.3 -18.3 -6.2 -4.1 20 20 A E H X S+ 0 0 8 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.873 109.5 53.6 -74.1 -35.2 -17.1 -8.9 -6.4 21 21 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.919 111.1 48.6 -62.7 -39.4 -15.4 -6.5 -8.8 22 22 A R H X S+ 0 0 43 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.901 109.7 51.8 -68.0 -36.3 -13.6 -5.1 -5.8 23 23 A K H X S+ 0 0 54 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.918 112.4 45.0 -65.5 -44.5 -12.6 -8.6 -4.7 24 24 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.919 111.3 53.0 -67.1 -41.8 -11.2 -9.4 -8.1 25 25 A L H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 -2,-0.2 0.901 103.9 57.7 -56.3 -39.6 -9.4 -6.0 -8.2 26 26 A K H X S+ 0 0 129 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.900 107.5 47.9 -59.4 -36.5 -7.8 -6.8 -4.8 27 27 A A H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.910 113.6 45.6 -71.1 -34.4 -6.3 -9.9 -6.4 28 28 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 6,-0.4 0.904 109.5 55.6 -76.6 -31.9 -5.1 -8.0 -9.4 29 29 A E H X>S+ 0 0 32 -4,-3.4 5,-1.6 1,-0.2 4,-0.7 0.931 113.1 43.0 -62.8 -42.4 -3.7 -5.2 -7.1 30 30 A A H <5S+ 0 0 85 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.918 115.8 48.2 -69.3 -43.7 -1.6 -7.9 -5.2 31 31 A R H <5S+ 0 0 83 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 122.2 30.2 -69.8 -41.9 -0.5 -9.7 -8.4 32 32 A F H <5S- 0 0 50 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.310 104.6-116.0-100.6 4.9 0.6 -6.6 -10.3 33 33 A G T <5 + 0 0 56 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.888 57.0 159.3 65.5 34.2 1.8 -4.4 -7.5 34 34 A L < - 0 0 15 -5,-1.6 2,-0.6 -6,-0.4 -1,-0.2 -0.763 34.0-149.0 -89.9 143.2 -0.8 -1.6 -8.1 35 35 A N + 0 0 105 -2,-0.3 -32,-2.7 -34,-0.3 2,-0.4 -0.959 29.3 165.0-112.2 110.1 -1.7 0.8 -5.3 36 36 A I E -a 3 0A 14 -2,-0.6 2,-0.4 -34,-0.2 -32,-0.2 -0.999 19.6-160.8-134.8 133.7 -5.4 1.8 -5.8 37 37 A E E -a 4 0A 108 -34,-2.6 -32,-2.7 -2,-0.4 2,-0.4 -0.878 8.8-155.0-116.7 144.3 -7.5 3.5 -3.4 38 38 A Y E -a 5 0A 31 -2,-0.4 2,-0.4 -34,-0.2 -32,-0.2 -0.967 10.4-171.9-125.9 137.9 -11.3 3.5 -3.5 39 39 A T E -a 6 0A 62 -34,-2.7 -32,-3.4 -2,-0.4 2,-0.4 -0.998 18.6-139.8-130.1 135.5 -13.9 5.8 -2.2 40 40 A E E +a 7 0A 144 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.731 21.4 178.9 -97.2 137.2 -17.6 5.0 -2.3 41 41 A Y - 0 0 58 -34,-2.3 -31,-0.4 -2,-0.4 -32,-0.3 -0.991 29.1-112.2-135.1 149.4 -20.2 7.6 -3.1 42 42 A D + 0 0 46 -2,-0.3 2,-0.3 -34,-0.1 17,-0.1 -0.525 41.1 163.4 -80.6 148.5 -24.0 7.4 -3.5 43 43 A V > + 0 0 0 -2,-0.2 3,-0.7 12,-0.1 4,-0.2 -0.980 43.9 9.2-155.4 154.0 -25.6 7.9 -6.8 44 44 A G T 3> S- 0 0 0 10,-2.5 4,-1.8 -2,-0.3 3,-0.4 -0.499 123.8 -7.8 83.3-142.7 -28.9 7.1 -8.4 45 45 A G H 3> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.895 136.5 53.3 -59.0 -43.1 -31.9 5.9 -6.2 46 46 A I H <> S+ 0 0 56 -3,-0.7 4,-2.1 1,-0.3 -1,-0.3 0.854 108.9 50.1 -67.1 -29.9 -29.8 5.6 -3.1 47 47 A A H >>S+ 0 0 0 -3,-0.4 4,-3.0 -4,-0.2 6,-1.0 0.854 108.1 51.5 -75.4 -36.8 -28.6 9.1 -3.6 48 48 A I H X5S+ 0 0 31 -4,-1.8 4,-1.7 4,-0.3 -2,-0.2 0.955 114.9 45.2 -63.7 -46.8 -32.2 10.5 -4.0 49 49 A D H <5S+ 0 0 72 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.876 124.4 32.2 -61.5 -39.8 -33.0 8.6 -0.7 50 50 A N H <5S+ 0 0 91 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.697 138.7 14.3 -91.9 -24.9 -29.9 9.8 1.2 51 51 A H H <5S- 0 0 111 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.402 96.3-110.8-134.2 -5.6 -29.3 13.2 -0.4 52 52 A G S <> - 0 0 8 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.327 28.0-116.0 -64.7 152.5 -25.1 14.8 -5.2 57 57 A E H 3> S+ 0 0 128 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.895 116.9 52.8 -43.1 -52.1 -22.5 17.6 -5.2 58 58 A A H 3> S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 108.7 50.8 -61.3 -35.8 -20.1 15.5 -2.9 59 59 A T H <> S+ 0 0 5 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.946 111.0 47.2 -66.2 -44.0 -20.4 12.5 -5.4 60 60 A L H X S+ 0 0 23 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.935 112.5 49.1 -66.8 -43.0 -19.6 14.7 -8.3 61 61 A K H X S+ 0 0 108 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.858 108.8 54.0 -64.3 -36.0 -16.6 16.3 -6.5 62 62 A G H < S+ 0 0 6 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.2 0.919 108.1 49.5 -63.1 -38.5 -15.4 12.7 -5.5 63 63 A C H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.896 107.6 54.9 -65.3 -36.4 -15.5 11.7 -9.2 64 64 A E H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.856 107.4 50.5 -62.4 -34.9 -13.5 14.9 -10.0 65 65 A A T 3< S+ 0 0 78 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.527 103.2 83.7 -79.3 -4.1 -10.8 13.8 -7.5 66 66 A A S < S- 0 0 11 -3,-1.2 -61,-0.2 -4,-0.4 3,-0.1 -0.568 72.6-136.7-101.2 162.7 -10.6 10.3 -9.1 67 67 A D S S- 0 0 65 -63,-2.9 209,-0.5 1,-0.3 2,-0.3 0.638 90.9 -6.7 -79.1 -23.9 -8.7 8.7 -12.0 68 68 A A E -b 5 0A 0 -64,-0.8 -62,-2.4 207,-0.2 2,-0.5 -0.971 65.4-120.0-164.7 163.7 -11.9 6.7 -13.0 69 69 A I E -bc 6 277A 0 207,-2.9 209,-2.5 -2,-0.3 2,-0.8 -0.960 15.3-158.4-113.9 124.5 -15.4 6.0 -11.9 70 70 A L E -bc 7 278A 0 -64,-2.9 -62,-2.4 -2,-0.5 2,-0.3 -0.919 25.6-167.6-100.9 112.1 -16.4 2.4 -11.3 71 71 A F E -b 8 0A 1 207,-3.1 -62,-0.2 -2,-0.8 3,-0.1 -0.781 17.9-168.8-116.3 139.5 -20.1 2.6 -11.7 72 72 A G E - 0 0 1 -64,-2.7 2,-0.3 -2,-0.3 -62,-0.2 0.617 47.0 -65.7 -90.6-117.1 -22.8 -0.1 -10.8 73 73 A S E -b 10 0A 8 -64,-1.7 -62,-2.8 -62,-0.2 2,-0.4 -0.990 40.9-150.9-145.6 153.9 -26.4 0.4 -11.9 74 74 A V + 0 0 13 -2,-0.3 210,-0.3 -64,-0.2 2,-0.2 -0.970 45.9 44.3-129.1 146.1 -29.0 2.9 -11.1 75 75 A G + 0 0 1 -2,-0.4 3,-0.1 208,-0.1 -29,-0.1 -0.467 39.1 166.1 119.5 168.0 -32.8 2.8 -11.1 76 76 A G > - 0 0 5 1,-0.2 3,-1.6 -2,-0.2 4,-0.4 -0.841 53.7 -70.7 156.7 172.0 -35.7 0.6 -9.9 77 77 A P G > S+ 0 0 89 0, 0.0 3,-2.6 0, 0.0 -1,-0.2 0.897 116.3 68.3 -56.9 -44.5 -39.5 0.5 -9.2 78 78 A K G 3 S+ 0 0 133 1,-0.3 3,-0.1 2,-0.1 0, 0.0 0.658 109.4 32.2 -50.8 -28.3 -39.2 2.8 -6.2 79 79 A W G X S+ 0 0 28 -3,-1.6 3,-1.6 1,-0.1 2,-0.4 0.322 88.7 106.2-111.6 7.1 -38.2 6.0 -8.2 80 80 A E T < S+ 0 0 115 -3,-2.6 -1,-0.1 -4,-0.4 -2,-0.1 0.025 74.5 54.6 -79.2 26.2 -40.2 5.1 -11.3 81 81 A K T 3 S+ 0 0 206 -2,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.205 79.5 102.6-138.3 -5.6 -43.0 7.6 -10.7 82 82 A L S < S- 0 0 53 -3,-1.6 5,-0.1 1,-0.2 -3,-0.0 -0.474 102.1 -73.9 -66.1 157.6 -40.8 10.6 -10.4 83 83 A P >> - 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0 0 12 19,-2.1 19,-0.3 -2,-0.4 2,-0.2 -0.773 42.5-135.4 -75.8 112.9 -21.5 -14.5 -28.3 112 112 A H > - 0 0 30 -2,-0.6 3,-2.4 147,-0.2 4,-0.2 -0.607 24.2 -94.8 -81.0 141.2 -19.4 -16.5 -26.0 113 113 A D T 3 S+ 0 0 151 1,-0.3 -1,-0.1 -2,-0.2 16,-0.0 -0.295 111.9 14.9 -44.9 123.0 -18.4 -20.1 -26.9 114 114 A G T 3 S+ 0 0 50 -3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.313 111.9 78.8 87.4 -8.2 -20.8 -22.5 -25.4 115 115 A L X + 0 0 10 -3,-2.4 3,-1.9 1,-0.1 4,-0.4 0.212 54.2 110.2-116.0 14.9 -23.5 -19.9 -24.6 116 116 A E G > + 0 0 47 1,-0.3 3,-1.6 -4,-0.2 5,-0.2 0.861 69.1 65.8 -52.8 -35.1 -24.9 -19.6 -28.2 117 117 A H G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.663 94.4 61.4 -63.4 -18.8 -28.1 -21.3 -27.1 118 118 A M G < S+ 0 0 46 -3,-1.9 -1,-0.3 141,-0.1 -2,-0.2 0.676 80.4 97.3 -81.5 -21.1 -28.9 -18.3 -24.9 119 119 A S S < S- 0 0 8 -3,-1.6 139,-0.1 -4,-0.4 140,-0.1 -0.462 78.3-132.0 -65.0 142.9 -29.0 -15.8 -27.7 120 120 A P S S+ 0 0 85 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.432 77.6 107.1 -76.2 3.4 -32.6 -15.1 -28.9 121 121 A L S S- 0 0 18 137,-0.4 5,-0.1 -5,-0.2 112,-0.1 -0.536 88.2 -89.5 -78.0 149.0 -31.3 -15.6 -32.5 122 122 A R >> - 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