==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JUL-11 3SVT . COMPND 2 MOLECULE: SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ULCERANS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 549 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 13.7 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 . 1 0.2 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 . 34 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 1 0 0 2 0 2 0 5 1 0 2 0 0 0 0 2 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 6 2 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 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 . 1 0 0 0 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 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 4 A S 0 0 65 0, 0.0 3,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 16.7 50.0 29.5 84.3 2 5 A F > + 0 0 26 25,-0.2 3,-1.8 1,-0.1 28,-0.3 0.766 360.0 88.9 -93.6 -23.6 48.1 28.6 81.1 3 6 A Q T 3 S+ 0 0 95 1,-0.3 -1,-0.1 24,-0.2 51,-0.1 0.768 96.8 28.6 -48.7 -50.0 46.7 32.0 80.0 4 7 A D T 3 S+ 0 0 150 -3,-0.1 -1,-0.3 25,-0.1 2,-0.3 0.092 106.0 97.9-106.3 26.4 49.6 33.5 77.9 5 8 A R < - 0 0 63 -3,-1.8 25,-2.5 23,-0.0 2,-0.4 -0.740 58.8-138.4-124.0 159.1 51.1 30.2 76.7 6 9 A T E -a 30 0A 3 -2,-0.3 80,-2.8 78,-0.2 81,-0.9 -0.965 19.7-174.8-124.0 133.0 51.0 27.9 73.7 7 10 A Y E -ab 31 87A 2 23,-2.5 25,-2.3 -2,-0.4 2,-0.5 -0.952 19.4-142.5-129.6 145.7 50.9 24.1 73.7 8 11 A L E -ab 32 88A 3 79,-2.0 81,-2.2 -2,-0.3 2,-0.5 -0.903 17.3-169.7-101.0 129.6 51.1 21.2 71.1 9 12 A V E > -ab 33 89A 0 23,-2.6 25,-1.8 -2,-0.5 3,-0.7 -0.958 7.5-155.4-123.9 109.7 48.8 18.2 71.8 10 13 A T E 3 S+ab 34 90A 2 79,-1.8 81,-1.2 -2,-0.5 25,-0.2 -0.589 81.8 22.3 -83.3 150.1 49.4 15.1 69.7 11 14 A G T > S+ 0 0 23 23,-1.9 3,-0.7 -2,-0.2 6,-0.5 0.842 82.2 148.3 59.1 38.5 46.5 12.8 69.2 12 15 A G T < + 0 0 0 22,-1.2 23,-0.1 -3,-0.7 -2,-0.1 0.446 43.2 83.4 -85.1 0.1 44.2 15.7 70.0 13 16 A G T 3 S- 0 0 13 21,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.659 102.4 -1.7 -78.8 -17.6 41.2 14.7 67.9 14 17 A S S X> S+ 0 0 78 -3,-0.7 4,-1.2 30,-0.0 3,-0.6 -0.972 105.4 5.2-158.5 171.7 39.7 12.3 70.4 15 18 A G H 3> S- 0 0 25 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.124 119.6 -1.0 55.1-136.2 40.0 10.6 73.8 16 19 A I H 3> S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 134.4 51.6 -56.8 -50.3 42.8 11.7 76.2 17 20 A G H <> S+ 0 0 1 -3,-0.6 4,-2.6 -6,-0.5 -5,-0.2 0.873 109.7 49.5 -53.3 -44.3 44.3 14.2 73.8 18 21 A K H X S+ 0 0 51 -4,-1.2 4,-2.6 -7,-0.4 -1,-0.2 0.912 110.2 50.3 -66.5 -43.6 41.0 16.0 73.2 19 22 A G H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.890 111.2 49.5 -56.6 -44.1 40.3 16.2 76.9 20 23 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.955 111.4 48.2 -61.0 -50.4 43.8 17.7 77.5 21 24 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.899 110.9 52.2 -54.5 -45.3 43.2 20.2 74.7 22 25 A A H X S+ 0 0 24 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.903 109.1 48.8 -61.8 -45.3 39.8 21.1 76.1 23 26 A G H X S+ 0 0 22 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.894 113.4 46.6 -61.0 -41.0 41.2 21.8 79.6 24 27 A L H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.3 0.936 112.9 49.2 -69.9 -45.2 44.0 24.0 78.3 25 28 A V H ><5S+ 0 0 1 -4,-2.8 3,-1.7 1,-0.2 29,-0.4 0.924 109.5 52.7 -57.7 -43.4 41.7 25.9 76.0 26 29 A A H 3<5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.862 105.8 54.7 -61.9 -35.9 39.3 26.5 78.9 27 30 A A T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -5,-0.2 -24,-0.2 0.463 127.5 -98.1 -76.7 -3.2 42.2 27.8 81.0 28 31 A G T < 5S+ 0 0 2 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.457 76.7 138.7 101.3 3.3 43.0 30.4 78.3 29 32 A A < - 0 0 0 -5,-2.3 28,-2.2 -6,-0.2 2,-0.5 -0.272 55.0-120.5 -74.4 160.8 45.8 28.7 76.4 30 33 A S E -ac 6 57A 15 -25,-2.5 -23,-2.5 -28,-0.3 2,-0.4 -0.911 36.4-171.6 -94.3 132.7 46.5 28.5 72.7 31 34 A V E -ac 7 58A 0 26,-2.6 28,-2.4 -2,-0.5 2,-0.6 -0.995 18.2-161.6-131.0 130.0 46.5 24.8 71.6 32 35 A M E -ac 8 59A 0 -25,-2.3 -23,-2.6 -2,-0.4 2,-0.4 -0.965 15.3-158.6-104.0 119.2 47.4 23.2 68.3 33 36 A I E -ac 9 60A 0 26,-2.9 28,-1.9 -2,-0.6 2,-0.3 -0.845 11.6-176.8 -95.7 136.6 46.1 19.7 68.0 34 37 A V E +ac 10 61A 3 -25,-1.8 -23,-1.9 -2,-0.4 -22,-1.2 -0.965 16.1 129.8-132.3 153.2 47.7 17.3 65.5 35 38 A G E - c 0 62A 13 26,-0.8 28,-2.7 -2,-0.3 6,-0.0 -0.954 60.8 -88.8 176.0 175.4 46.9 13.7 64.4 36 39 A R S S+ 0 0 88 -2,-0.3 28,-0.1 26,-0.2 -1,-0.1 0.765 100.6 70.8 -78.9 -31.5 46.3 11.4 61.5 37 40 A N > - 0 0 87 1,-0.2 4,-2.4 26,-0.1 5,-0.2 -0.810 56.8-171.6 -98.9 105.8 42.5 11.9 60.9 38 41 A P H > S+ 0 0 58 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.823 85.1 55.7 -67.7 -30.8 41.7 15.3 59.5 39 42 A D H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.921 111.9 43.2 -64.8 -43.2 37.9 14.9 59.9 40 43 A K H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 113.4 50.7 -71.2 -45.5 38.3 14.1 63.6 41 44 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.939 112.1 47.6 -55.2 -48.5 40.8 16.9 64.2 42 45 A A H X S+ 0 0 31 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.879 111.7 50.5 -61.6 -39.5 38.5 19.5 62.5 43 46 A G H X S+ 0 0 39 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.860 108.5 52.2 -66.0 -36.4 35.5 18.2 64.5 44 47 A A H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.895 107.2 53.0 -66.5 -42.5 37.4 18.6 67.7 45 48 A V H X S+ 0 0 10 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.944 108.9 49.0 -53.8 -50.7 38.4 22.2 66.9 46 49 A Q H X S+ 0 0 131 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.909 114.7 45.9 -61.1 -39.5 34.7 23.0 66.3 47 50 A E H >< S+ 0 0 105 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.914 114.1 46.6 -66.6 -45.0 33.8 21.4 69.6 48 51 A L H >< S+ 0 0 3 -4,-2.8 3,-3.0 1,-0.3 -2,-0.2 0.819 96.0 71.1 -76.3 -32.0 36.6 23.0 71.6 49 52 A E H >< S+ 0 0 98 -4,-2.9 3,-2.5 1,-0.3 -1,-0.3 0.845 86.9 69.5 -47.3 -34.9 36.0 26.5 70.2 50 53 A A T << S+ 0 0 87 -3,-0.8 -1,-0.3 -4,-0.6 3,-0.2 0.694 81.7 71.9 -56.2 -21.8 32.8 26.4 72.3 51 54 A L T < S+ 0 0 71 -3,-3.0 5,-0.3 1,-0.2 -1,-0.3 0.356 85.4 167.0 -80.6 -1.0 35.3 26.6 75.3 52 55 A G < + 0 0 29 -3,-2.5 2,-0.6 -4,-0.2 4,-0.3 0.256 29.3 16.6 53.3-124.4 35.5 30.0 74.0 53 56 A A + 0 0 92 2,-0.2 -1,-0.2 -3,-0.2 -27,-0.1 -0.869 55.7 111.3-126.1 103.0 37.1 32.7 76.1 54 57 A N S S- 0 0 94 -2,-0.6 -1,-0.2 -29,-0.4 -2,-0.1 -0.505 120.3 -85.8 -98.9 29.5 39.3 32.8 78.9 55 58 A G S S+ 0 0 54 1,-0.2 -2,-0.2 -29,-0.0 -3,-0.1 0.660 85.1 160.5 72.4 19.0 40.7 33.9 75.6 56 59 A G - 0 0 16 -4,-0.3 2,-0.3 -31,-0.3 -26,-0.2 -0.325 19.8-164.3 -69.8 154.5 41.7 30.4 74.7 57 60 A A E -c 30 0A 37 -28,-2.2 -26,-2.6 -2,-0.0 2,-0.4 -0.981 6.0-162.3-141.7 148.6 42.3 29.4 71.0 58 61 A I E +c 31 0A 14 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.999 10.8 170.1-136.9 133.8 42.6 26.1 69.1 59 62 A R E -c 32 0A 91 -28,-2.4 -26,-2.9 -2,-0.4 2,-0.3 -0.896 15.9-147.6-130.0 164.4 44.1 25.1 65.7 60 63 A Y E -c 33 0A 86 -2,-0.3 -26,-0.2 -28,-0.2 -28,-0.0 -0.965 11.6-173.5-132.2 151.4 44.8 21.8 64.0 61 64 A E E -c 34 0A 70 -28,-1.9 -26,-0.8 -2,-0.3 2,-0.2 -0.918 30.4-125.6-136.5 118.4 47.3 20.4 61.6 62 65 A P E +c 35 0A 58 0, 0.0 2,-0.3 0, 0.0 -26,-0.2 -0.456 42.5 174.2 -56.6 126.5 46.9 16.9 60.1 63 66 A T - 0 0 8 -28,-2.7 2,-0.8 -2,-0.2 -26,-0.1 -0.992 32.7-149.9-144.2 130.0 50.3 15.2 61.0 64 67 A D > - 0 0 66 -2,-0.3 3,-2.2 1,-0.1 7,-0.3 -0.888 13.8-160.1 -99.2 107.8 51.5 11.6 60.6 65 68 A I T 3 S+ 0 0 10 -2,-0.8 57,-0.2 1,-0.3 58,-0.1 0.608 85.3 71.5 -73.0 -8.6 54.0 11.2 63.4 66 69 A T T 3 S+ 0 0 43 1,-0.1 2,-0.6 56,-0.1 -1,-0.3 0.528 89.6 72.6 -75.1 -7.3 55.7 8.3 61.7 67 70 A N S <> S- 0 0 62 -3,-2.2 4,-1.9 1,-0.1 5,-0.1 -0.951 70.2-161.5-110.1 111.4 57.0 10.9 59.3 68 71 A E H > S+ 0 0 55 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.839 88.7 55.5 -60.9 -37.4 59.7 13.0 61.0 69 72 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 108.5 46.2 -67.3 -43.9 59.5 15.8 58.4 70 73 A E H > S+ 0 0 53 -6,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 113.0 51.8 -61.4 -40.1 55.7 16.3 58.9 71 74 A T H X S+ 0 0 4 -4,-1.9 4,-2.2 -7,-0.3 -2,-0.2 0.921 109.3 48.2 -62.1 -46.3 56.3 16.2 62.7 72 75 A A H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.889 110.6 53.3 -60.5 -40.6 59.0 18.9 62.5 73 76 A R H X S+ 0 0 154 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.880 107.6 50.1 -61.9 -41.1 56.6 21.0 60.3 74 77 A A H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.903 110.4 50.3 -62.7 -40.6 53.9 20.7 62.9 75 78 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.882 110.4 50.5 -66.6 -37.4 56.4 21.9 65.6 76 79 A D H X S+ 0 0 87 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 110.3 49.9 -63.8 -45.0 57.4 24.8 63.3 77 80 A A H X S+ 0 0 28 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.934 112.6 44.6 -63.1 -46.1 53.7 25.8 62.9 78 81 A V H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 6,-0.3 0.855 114.8 50.2 -66.1 -38.8 52.8 25.8 66.7 79 82 A T H X S+ 0 0 16 -4,-1.8 4,-1.3 -5,-0.2 3,-0.4 0.906 110.0 47.9 -66.6 -42.3 56.0 27.6 67.5 80 83 A A H < S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.685 92.1 83.8 -71.9 -19.5 55.5 30.4 64.9 81 84 A W H < S- 0 0 53 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.928 123.4 -8.0 -51.7 -55.2 51.9 30.9 66.1 82 85 A H H < S- 0 0 116 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.266 106.3-100.1-124.2 10.4 52.8 33.2 69.0 83 86 A G S < S+ 0 0 58 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.2 0.307 95.0 64.1 93.8 -7.1 56.6 32.8 68.8 84 87 A R - 0 0 93 -6,-0.3 2,-0.6 -5,-0.1 -78,-0.2 -0.979 62.4-145.4-150.5 137.5 57.2 30.3 71.6 85 88 A L - 0 0 1 -2,-0.3 -78,-0.2 45,-0.2 49,-0.1 -0.907 17.0-179.4 -98.9 119.6 56.3 26.7 72.4 86 89 A H - 0 0 34 -80,-2.8 52,-1.6 -2,-0.6 2,-0.3 0.692 58.0 -20.5 -94.3 -24.7 55.7 26.2 76.2 87 90 A G E -bd 7 138A 0 -81,-0.9 -79,-2.0 50,-0.2 2,-0.4 -0.990 48.5-134.8-173.8 171.5 54.8 22.6 76.3 88 91 A V E -bd 8 139A 0 50,-1.8 52,-2.8 -2,-0.3 2,-0.5 -0.988 0.5-163.3-137.9 138.2 53.7 19.4 74.7 89 92 A V E -bd 9 140A 0 -81,-2.2 -79,-1.8 -2,-0.4 2,-0.9 -0.959 18.2-158.0-119.5 112.1 51.3 16.6 75.6 90 93 A H E +bd 10 141A 1 50,-2.8 52,-2.6 -2,-0.5 -79,-0.1 -0.792 33.6 147.2 -96.7 98.7 52.0 13.6 73.5 91 94 A C + 0 0 24 -81,-1.2 -80,-0.2 -2,-0.9 2,-0.2 0.435 33.8 115.9-108.7 -5.7 49.0 11.3 73.3 92 95 A A + 0 0 13 27,-0.1 2,-0.3 -75,-0.1 50,-0.1 -0.495 49.7 70.4 -72.3 135.5 49.5 10.0 69.7 93 96 A G + 0 0 35 -2,-0.2 2,-0.3 26,-0.0 19,-0.1 -0.873 38.8 156.7 144.5 179.2 50.1 6.3 69.6 94 97 A G - 0 0 20 -2,-0.3 2,-0.3 18,-0.2 22,-0.1 -0.982 33.3 -94.7 160.2-157.7 48.3 2.9 70.1 95 98 A S - 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