==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-FEB-09 3GDG . COMPND 2 MOLECULE: PROBABLE NADP-DEPENDENT MANNITOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLADOSPORIUM HERBARUM; . AUTHOR D.NUESS,P.GOETTIG,I.MAGLER,U.DENK,M.BREITENBACH,P.B.SCHNEIDE . 1068 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 749 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 62 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 4 0 0 7 0 0 9 0 1 2 5 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 12 7 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 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 4 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 0 180 0, 0.0 2,-0.2 0, 0.0 497,-0.1 0.000 360.0 360.0 360.0 94.8 -16.1 -8.4 2.0 2 2 A P + 0 0 81 0, 0.0 2,-0.5 0, 0.0 497,-0.1 -0.563 360.0 155.1 -62.6 -67.9 -13.5 -7.0 2.0 3 3 A G + 0 0 26 -2,-0.2 2,-0.5 192,-0.1 192,-0.2 -0.861 51.0 25.3 123.9-100.9 -15.3 -3.7 1.9 4 4 A Q - 0 0 20 493,-0.6 2,-0.2 -2,-0.5 495,-0.1 -0.909 67.1-149.1-112.3 132.1 -13.5 -0.7 3.3 5 5 A Q - 0 0 111 -2,-0.5 3,-0.1 1,-0.1 496,-0.0 -0.539 23.5 -96.0 -97.2 159.6 -9.7 -0.3 3.4 6 6 A A - 0 0 21 -2,-0.2 -1,-0.1 1,-0.1 246,-0.0 -0.194 55.7 -75.7 -68.2 161.4 -7.3 1.5 5.7 7 7 A T - 0 0 4 241,-0.2 -1,-0.1 1,-0.1 8,-0.1 -0.215 28.8-139.5 -57.2 147.5 -5.9 5.0 5.0 8 8 A K S S+ 0 0 182 -3,-0.1 2,-0.5 7,-0.0 -1,-0.1 0.442 79.0 89.7 -87.3 -1.3 -3.2 5.4 2.4 9 9 A H - 0 0 74 239,-0.2 -2,-0.1 1,-0.1 6,-0.0 -0.856 47.9-177.2-107.1 130.1 -1.5 7.9 4.7 10 10 A E S S+ 0 0 96 -2,-0.5 2,-0.3 495,-0.0 -1,-0.1 0.757 71.9 85.9 -84.7 -30.4 1.1 7.2 7.4 11 11 A S S > S- 0 0 30 1,-0.1 4,-0.9 2,-0.0 -2,-0.1 -0.548 70.7-151.3 -73.3 134.5 1.2 10.9 8.2 12 12 A L H > S+ 0 0 1 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.804 97.4 57.8 -76.6 -30.4 -1.5 11.9 10.7 13 13 A L H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 107.3 47.5 -67.2 -35.3 -1.6 15.4 9.2 14 14 A D H 4 S+ 0 0 75 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.759 108.9 56.8 -74.3 -25.8 -2.4 13.9 5.8 15 15 A Q H < S+ 0 0 1 -4,-0.9 233,-1.9 1,-0.2 234,-0.4 0.921 112.7 38.3 -69.7 -45.6 -5.1 11.8 7.5 16 16 A L H < S+ 0 0 8 -4,-2.2 -2,-0.2 232,-0.2 -1,-0.2 0.867 92.2 104.2 -73.5 -38.6 -6.9 14.8 9.0 17 17 A S < - 0 0 34 -4,-2.1 231,-0.3 -5,-0.2 29,-0.2 -0.185 51.7-166.8 -49.0 128.2 -6.4 17.0 5.9 18 18 A L > + 0 0 0 27,-2.2 3,-1.4 24,-0.3 30,-0.3 0.017 34.8 144.8-108.2 23.7 -9.7 17.2 3.9 19 19 A K T 3 S+ 0 0 163 26,-0.4 28,-0.2 1,-0.3 3,-0.1 -0.431 70.3 21.4 -62.4 132.4 -8.0 18.7 0.9 20 20 A G T 3 S+ 0 0 74 1,-0.3 2,-0.3 26,-0.2 -1,-0.3 0.706 110.1 102.0 80.1 21.3 -9.7 17.4 -2.3 21 21 A K < - 0 0 58 -3,-1.4 27,-2.0 25,-0.3 2,-0.4 -0.927 61.8-133.1-137.3 161.0 -12.9 16.5 -0.4 22 22 A V E +a 48 0A 8 -2,-0.3 81,-3.0 25,-0.2 82,-2.3 -0.944 19.4 179.1-119.2 135.7 -16.4 17.7 0.2 23 23 A V E -ab 49 104A 0 25,-2.3 27,-2.3 -2,-0.4 2,-0.4 -0.998 10.3-158.6-134.4 131.0 -18.2 18.0 3.6 24 24 A V E -ab 50 105A 0 80,-1.6 82,-2.5 -2,-0.4 2,-0.4 -0.932 5.4-163.6-113.8 136.8 -21.7 19.2 4.2 25 25 A V E > -ab 51 106A 0 25,-2.8 27,-1.3 -2,-0.4 3,-0.5 -0.970 8.0-147.4-121.2 126.5 -22.9 20.5 7.6 26 26 A T T 3 S+ 0 0 0 80,-1.5 27,-0.1 -2,-0.4 83,-0.1 -0.572 77.6 16.1 -91.0 154.7 -26.6 20.9 8.6 27 27 A G T 3 S+ 0 0 38 -2,-0.2 8,-0.4 53,-0.1 9,-0.3 0.800 78.6 134.0 56.6 34.5 -27.8 23.6 11.0 28 28 A A < + 0 0 1 24,-1.0 -1,-0.1 -3,-0.5 25,-0.1 -0.229 28.3 111.5-107.3 45.9 -24.6 25.7 10.8 29 29 A S + 0 0 43 34,-0.1 30,-0.2 33,-0.0 31,-0.2 0.213 59.9 86.7 -99.9 12.3 -26.4 29.0 10.3 30 30 A G S S- 0 0 26 -3,-0.2 3,-0.5 29,-0.1 6,-0.1 -0.760 78.4-121.3-114.1 162.7 -25.3 30.4 13.7 31 31 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.934 102.4 10.3 -64.3 -56.1 -22.2 32.2 15.1 32 32 A K S S+ 0 0 124 177,-0.3 203,-0.3 4,-0.1 2,-0.2 -0.494 94.8 127.3-130.0 66.4 -20.9 29.9 17.8 33 33 A G S > S- 0 0 16 -3,-0.5 4,-2.1 -2,-0.1 5,-0.2 -0.729 73.3-103.0-117.4 167.8 -22.9 26.7 17.5 34 34 A M H > S+ 0 0 43 -2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.906 119.1 55.5 -52.9 -41.9 -21.9 23.0 17.2 35 35 A G H >> S+ 0 0 5 -8,-0.4 4,-1.5 2,-0.2 3,-0.7 0.964 108.2 40.6 -58.7 -61.7 -22.7 23.3 13.5 36 36 A I H >> S+ 0 0 3 -9,-0.3 4,-3.0 1,-0.3 3,-0.7 0.949 112.2 56.5 -58.1 -45.8 -20.5 26.1 12.4 37 37 A E H 3X S+ 0 0 7 -4,-2.1 4,-2.1 1,-0.3 -1,-0.3 0.817 105.0 53.9 -55.3 -28.5 -17.6 24.9 14.5 38 38 A A H < S+ 0 0 0 -4,-1.7 3,-0.6 1,-0.2 -24,-0.3 0.933 112.2 51.0 -57.6 -48.4 -13.2 20.9 8.3 43 43 A A H >< S+ 0 0 1 -4,-2.7 3,-2.6 1,-0.3 4,-0.4 0.909 105.6 56.5 -55.3 -43.7 -12.6 24.1 6.3 44 44 A E H 3< S+ 0 0 32 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.859 100.1 59.0 -57.0 -33.5 -9.4 24.5 8.3 45 45 A M T << S- 0 0 10 -4,-1.4 -27,-2.2 -3,-0.6 -26,-0.4 0.327 128.3-105.1 -78.0 10.3 -8.4 21.1 7.0 46 46 A G S < S+ 0 0 17 -3,-2.6 -25,-0.3 1,-0.2 2,-0.3 1.000 70.5 140.3 64.4 73.2 -8.8 22.6 3.6 47 47 A A - 0 0 4 -4,-0.4 2,-0.5 -28,-0.2 -1,-0.2 -0.977 58.2-103.2-143.7 156.5 -12.1 21.3 2.3 48 48 A A E -a 22 0A 19 -27,-2.0 -25,-2.3 -30,-0.3 2,-0.5 -0.677 43.8-157.4 -78.2 126.5 -15.1 22.5 0.3 49 49 A V E -ac 23 75A 1 25,-2.3 27,-1.1 -2,-0.5 2,-0.5 -0.923 16.3-170.0-118.7 128.6 -17.9 23.0 2.8 50 50 A A E -ac 24 76A 0 -27,-2.3 -25,-2.8 -2,-0.5 2,-0.2 -0.941 14.1-174.2-110.4 127.5 -21.6 23.1 2.1 51 51 A I E -a 25 0A 2 25,-2.1 2,-0.3 -2,-0.5 27,-0.3 -0.733 6.8-151.6-116.1 169.6 -23.8 24.3 5.0 52 52 A T - 0 0 2 -27,-1.3 -24,-1.0 -2,-0.2 2,-0.3 -0.901 4.0-159.6-136.8 166.2 -27.6 24.4 5.4 53 53 A Y B -g 79 0B 38 25,-1.7 27,-2.4 -2,-0.3 4,-0.1 -0.994 15.5-145.4-149.3 141.3 -30.2 26.4 7.2 54 54 A A S S- 0 0 61 -2,-0.3 2,-0.2 25,-0.2 -1,-0.2 0.997 75.9 -15.5 -68.0 -67.4 -33.8 25.7 8.2 55 55 A S S S+ 0 0 75 1,-0.2 3,-0.4 24,-0.1 -1,-0.2 -0.744 110.0 36.0-132.9 179.8 -35.3 29.2 7.8 56 56 A R S S- 0 0 210 -2,-0.2 2,-1.7 1,-0.2 3,-0.3 0.903 72.3-130.4 35.7 86.9 -34.5 32.9 7.5 57 57 A A S S+ 0 0 55 1,-0.2 -1,-0.2 -3,-0.1 22,-0.0 -0.469 71.7 111.5 -63.6 90.9 -31.3 32.8 5.4 58 58 A Q S >> S+ 0 0 147 -2,-1.7 4,-1.2 -3,-0.4 3,-0.7 0.442 72.8 27.1-125.6 -87.7 -29.4 35.1 7.7 59 59 A G H 3> S+ 0 0 20 -3,-0.3 4,-2.0 1,-0.2 5,-0.2 0.799 113.6 66.8 -52.4 -35.2 -26.5 33.7 9.7 60 60 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.930 99.6 48.8 -53.7 -52.5 -25.8 31.0 7.1 61 61 A E H <> S+ 0 0 88 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.933 110.2 49.7 -55.5 -51.1 -24.7 33.5 4.4 62 62 A E H X S+ 0 0 107 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.863 109.8 52.9 -58.5 -34.5 -22.4 35.4 6.6 63 63 A N H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.918 107.2 52.4 -65.5 -42.9 -20.8 32.0 7.7 64 64 A V H X S+ 0 0 11 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.943 112.1 44.1 -56.9 -52.2 -20.3 31.2 4.0 65 65 A K H X S+ 0 0 131 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.893 116.2 48.7 -61.0 -39.6 -18.5 34.4 3.3 66 66 A E H X S+ 0 0 70 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.803 107.4 53.7 -72.7 -30.1 -16.5 34.0 6.5 67 67 A L H X S+ 0 0 3 -4,-2.7 4,-0.6 2,-0.2 6,-0.5 0.809 112.3 44.5 -74.3 -29.0 -15.5 30.4 5.8 68 68 A E H X S+ 0 0 76 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.857 113.4 51.2 -81.0 -35.5 -14.1 31.3 2.4 69 69 A K H < S+ 0 0 144 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.1 0.841 117.5 33.7 -71.9 -39.3 -12.3 34.4 3.6 70 70 A T H < S+ 0 0 78 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.1 0.597 132.1 30.0 -95.5 -11.8 -10.4 32.9 6.6 71 71 A Y H < S- 0 0 62 -4,-0.6 -2,-0.2 -5,-0.2 -3,-0.2 0.567 91.1-133.4-121.2 -15.3 -9.8 29.4 5.1 72 72 A G < + 0 0 59 -4,-1.7 2,-0.3 1,-0.2 -4,-0.2 0.837 62.5 120.4 65.4 35.7 -9.5 30.0 1.3 73 73 A I - 0 0 20 -6,-0.5 2,-0.2 -5,-0.1 -1,-0.2 -0.803 69.1 -89.3-125.4 167.6 -11.8 27.1 0.4 74 74 A K + 0 0 130 -2,-0.3 -25,-2.3 -3,-0.1 2,-0.3 -0.566 49.4 168.1 -79.6 139.7 -15.1 26.9 -1.5 75 75 A A E +c 49 0A 12 -2,-0.2 2,-0.2 -27,-0.2 -25,-0.2 -0.903 12.0 174.0-143.3 171.0 -18.4 27.2 0.4 76 76 A K E -c 50 0A 92 -27,-1.1 -25,-2.1 -2,-0.3 2,-0.1 -0.831 23.4-127.3-178.8 139.6 -22.1 27.7 -0.2 77 77 A A - 0 0 11 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.441 19.8-168.8 -90.4 166.9 -25.3 27.7 1.8 78 78 A Y - 0 0 18 -27,-0.3 -25,-1.7 -2,-0.1 2,-0.4 -0.936 24.0-124.2-156.4 131.9 -28.4 25.6 1.1 79 79 A K B +g 53 0B 131 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.676 42.9 166.9 -78.5 128.3 -31.9 25.9 2.6 80 80 A C - 0 0 3 -27,-2.4 2,-0.7 -2,-0.4 -53,-0.1 -0.985 33.4-160.8-149.8 135.5 -32.9 22.5 4.1 81 81 A Q > - 0 0 88 -2,-0.3 3,-2.6 1,-0.1 6,-0.3 -0.882 12.1-162.9-114.6 93.5 -35.6 21.2 6.3 82 82 A V T 3 S+ 0 0 17 -2,-0.7 56,-0.2 1,-0.3 6,-0.2 0.783 85.0 70.1 -47.9 -32.9 -34.2 18.0 7.6 83 83 A D T 3 S+ 0 0 64 -3,-0.1 2,-0.5 55,-0.1 -1,-0.3 0.482 92.1 70.6 -67.8 1.4 -37.7 16.9 8.7 84 84 A S <> - 0 0 38 -3,-2.6 4,-1.3 1,-0.1 5,-0.2 -0.978 68.2-158.3-119.1 125.4 -38.6 16.6 5.0 85 85 A Y H > S+ 0 0 36 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.907 95.8 57.4 -69.4 -37.9 -37.0 13.8 3.0 86 86 A E H > S+ 0 0 153 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.919 104.9 51.3 -56.9 -44.2 -37.6 15.7 -0.2 87 87 A S H > S+ 0 0 21 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.862 112.8 44.3 -61.6 -37.4 -35.5 18.6 1.1 88 88 A C H X S+ 0 0 1 -4,-1.3 4,-2.9 -7,-0.3 5,-0.3 0.913 113.3 51.8 -72.4 -43.6 -32.6 16.4 2.1 89 89 A E H X S+ 0 0 68 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.953 112.2 45.2 -55.9 -51.3 -32.8 14.6 -1.2 90 90 A K H X S+ 0 0 124 -4,-3.1 4,-3.0 -5,-0.2 5,-0.2 0.904 110.0 56.8 -60.1 -41.3 -32.8 17.9 -3.0 91 91 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.947 109.9 42.9 -55.5 -52.9 -29.9 19.0 -0.8 92 92 A V H X S+ 0 0 12 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.769 112.9 55.0 -67.0 -23.7 -27.7 16.1 -1.8 93 93 A K H X S+ 0 0 133 -4,-1.7 4,-0.7 -5,-0.3 -2,-0.2 0.959 114.2 38.8 -71.0 -49.8 -28.8 16.5 -5.4 94 94 A D H >X S+ 0 0 50 -4,-3.0 4,-2.1 2,-0.2 3,-1.6 0.953 113.7 51.4 -65.7 -55.0 -27.7 20.2 -5.5 95 95 A V H >X>S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.3 5,-0.7 0.941 107.1 56.6 -48.8 -50.1 -24.5 19.9 -3.4 96 96 A V H 3<5S+ 0 0 40 -4,-1.3 4,-0.3 -5,-0.3 -1,-0.3 0.722 111.1 43.3 -55.8 -23.8 -23.4 17.0 -5.7 97 97 A A H <<5S+ 0 0 80 -3,-1.6 -1,-0.2 -4,-0.7 -2,-0.2 0.740 118.2 42.1 -93.7 -28.2 -23.7 19.3 -8.8 98 98 A D H <<5S+ 0 0 77 -4,-2.1 -2,-0.2 -3,-0.5 -3,-0.2 0.738 133.0 23.3 -88.9 -26.3 -22.1 22.4 -7.3 99 99 A F T <5S- 0 0 39 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.595 95.6-130.5-113.3 -18.6 -19.3 20.5 -5.6 100 100 A G S - 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