==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUN-11 3SC4 . COMPND 2 MOLECULE: SHORT CHAIN DEHYDROGENASE (A0QTM2 HOMOLOG); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM THERMORESISTIBILE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 561 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 2 0.4 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 . 35 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.9 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 0 2 2 0 0 6 0 0 0 2 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 2 A S 0 0 106 0, 0.0 23,-0.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 145.1 37.4 -35.0 53.2 2 3 A L > + 0 0 8 22,-0.1 3,-1.8 3,-0.1 25,-0.1 -0.010 360.0 153.0-115.7 24.5 35.4 -32.2 51.5 3 4 A R T 3 S+ 0 0 55 1,-0.3 26,-0.2 26,-0.1 25,-0.2 -0.301 72.3 9.3 -53.5 134.2 33.8 -30.7 54.7 4 5 A G T 3 S+ 0 0 51 24,-1.5 2,-0.3 1,-0.2 -1,-0.3 0.597 97.5 130.5 68.3 12.9 33.0 -27.0 54.2 5 6 A K < - 0 0 47 -3,-1.8 25,-2.5 19,-0.1 2,-0.5 -0.671 51.0-134.5 -93.8 154.4 33.7 -27.0 50.4 6 7 A T E -a 30 0A 2 -2,-0.3 84,-2.2 23,-0.2 85,-1.7 -0.951 17.9-167.2-117.0 127.7 31.3 -25.6 47.9 7 8 A M E -ab 31 91A 0 23,-2.5 25,-3.2 -2,-0.5 2,-0.4 -0.908 9.7-161.5-114.9 137.6 30.4 -27.3 44.6 8 9 A F E -ab 32 92A 1 83,-2.8 85,-2.6 -2,-0.4 2,-0.4 -0.976 21.3-179.7-111.7 130.2 28.6 -25.9 41.6 9 10 A I E -ab 33 93A 0 23,-2.2 25,-1.8 -2,-0.4 2,-0.4 -0.993 22.8-150.5-140.8 130.4 27.1 -28.6 39.3 10 11 A S E S+ab 34 94A 2 83,-2.1 85,-0.8 -2,-0.4 25,-0.1 -0.810 86.9 19.2 -92.4 140.9 25.2 -28.6 36.1 11 12 A G S S+ 0 0 25 23,-1.3 -1,-0.2 -2,-0.4 6,-0.2 0.976 76.4 137.8 63.6 55.8 22.8 -31.6 35.6 12 13 A G + 0 0 1 22,-0.4 23,-0.1 -3,-0.4 35,-0.1 0.175 36.5 100.1-113.2 15.3 22.5 -32.6 39.3 13 14 A S S S- 0 0 13 21,-0.2 2,-0.3 33,-0.1 34,-0.2 0.691 93.3 -16.1 -65.4 -25.8 18.8 -33.3 39.4 14 15 A R S >> S+ 0 0 80 -3,-0.1 4,-1.6 32,-0.1 3,-0.8 -0.955 103.9 18.3-168.2 174.2 19.0 -37.1 39.0 15 16 A G H 3> S- 0 0 21 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 -0.132 119.6 -1.7 50.3-128.2 21.1 -40.1 38.1 16 17 A I H 3> S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 135.3 50.5 -65.7 -43.9 24.9 -39.6 38.0 17 18 A G H <> S+ 0 0 0 -3,-0.8 4,-2.6 -6,-0.2 -1,-0.2 0.919 112.2 47.2 -64.1 -44.2 24.9 -35.9 38.8 18 19 A L H X S+ 0 0 18 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.927 110.2 53.5 -62.8 -42.7 22.6 -36.4 41.8 19 20 A A H X S+ 0 0 16 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.914 111.5 45.7 -60.3 -41.1 24.8 -39.3 43.0 20 21 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.924 112.5 50.4 -63.9 -45.6 27.9 -37.1 42.8 21 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.894 111.4 49.0 -61.4 -40.8 26.1 -34.3 44.6 22 23 A K H X S+ 0 0 76 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.860 109.4 51.3 -68.9 -35.5 25.0 -36.6 47.4 23 24 A R H < S+ 0 0 76 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.881 115.2 42.2 -69.4 -37.2 28.5 -38.1 47.8 24 25 A V H ><>S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 5,-0.6 0.899 111.8 55.3 -72.7 -43.0 30.0 -34.6 48.2 25 26 A A H ><5S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.3 4,-0.4 0.795 93.0 70.9 -60.6 -30.2 27.2 -33.4 50.3 26 27 A A T 3<5S+ 0 0 53 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.697 92.4 58.0 -65.0 -19.7 27.7 -36.3 52.8 27 28 A D T < 5S- 0 0 40 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.435 130.0 -95.8 -84.0 2.1 30.9 -34.6 54.0 28 29 A G T < 5S+ 0 0 32 -3,-2.3 -24,-1.5 1,-0.2 2,-0.2 0.824 74.6 153.8 81.0 38.4 28.9 -31.4 54.9 29 30 A A < - 0 0 0 -5,-0.6 32,-1.9 -4,-0.4 2,-0.4 -0.583 46.4-116.7 -95.0 159.2 29.6 -29.6 51.6 30 31 A N E -ac 6 61A 32 -25,-2.5 -23,-2.5 30,-0.2 2,-0.4 -0.762 28.7-166.2 -87.4 139.6 27.5 -26.9 49.9 31 32 A V E -ac 7 62A 0 30,-2.3 32,-2.3 -2,-0.4 2,-0.5 -0.982 7.7-167.8-131.6 119.3 26.1 -27.9 46.5 32 33 A A E -ac 8 63A 0 -25,-3.2 -23,-2.2 -2,-0.4 2,-0.4 -0.939 15.6-168.9-101.6 127.9 24.6 -25.3 44.2 33 34 A L E -ac 9 64A 0 30,-2.4 32,-3.1 -2,-0.5 2,-0.4 -0.982 5.3-161.2-129.7 134.6 22.7 -27.1 41.3 34 35 A V E +ac 10 65A 11 -25,-1.8 -23,-1.3 -2,-0.4 -22,-0.4 -0.872 14.7 162.1-118.7 141.1 21.4 -25.6 38.2 35 36 A A E - c 0 66A 25 30,-1.9 32,-3.3 -2,-0.4 3,-0.1 -0.979 43.8-115.7-154.6 159.8 18.8 -26.7 35.6 36 37 A K S S+ 0 0 136 -2,-0.3 2,-0.3 30,-0.2 32,-0.2 0.848 96.9 14.0 -66.5 -40.2 16.6 -25.2 32.9 37 38 A S - 0 0 66 30,-0.1 11,-0.3 2,-0.1 -1,-0.1 -0.957 52.8-152.8-136.0 151.8 13.3 -25.8 34.5 38 39 A A + 0 0 17 -2,-0.3 11,-0.2 9,-0.1 -2,-0.0 0.192 64.5 112.6-104.8 10.9 12.1 -26.8 38.0 39 40 A E S S- 0 0 156 1,-0.1 -2,-0.1 8,-0.1 9,-0.0 -0.737 74.5-109.8 -91.2 133.6 8.9 -28.5 36.7 40 41 A P - 0 0 95 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 -0.275 25.7-135.7 -61.3 141.5 8.6 -32.2 37.1 41 42 A H - 0 0 102 3,-0.6 5,-0.1 5,-0.4 0, 0.0 -0.781 16.6-124.3 -96.3 144.3 8.8 -34.3 33.9 42 43 A P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.791 103.6 18.8 -60.5 -31.1 6.3 -37.1 33.5 43 44 A K S S+ 0 0 123 2,-0.1 159,-0.1 1,-0.1 160,-0.0 0.754 109.2 74.2-113.8 -37.4 8.8 -39.8 32.9 44 45 A L S S- 0 0 54 158,-0.1 -3,-0.6 2,-0.1 2,-0.1 -0.698 81.1-125.2 -81.0 130.9 12.2 -38.6 34.2 45 46 A P + 0 0 39 0, 0.0 154,-0.1 0, 0.0 -2,-0.1 -0.409 59.6 19.7 -75.3 149.8 12.4 -38.5 38.0 46 47 A G - 0 0 24 -2,-0.1 -5,-0.4 -5,-0.1 2,-0.3 0.279 50.1-137.4 92.1 154.7 13.4 -35.5 40.1 47 48 A T > - 0 0 18 -34,-0.2 4,-2.8 -7,-0.1 5,-0.2 -0.884 42.0 -97.3-134.9 171.6 13.6 -31.8 40.0 48 49 A I H > S+ 0 0 1 -11,-0.3 4,-1.9 -2,-0.3 -10,-0.1 0.848 126.8 51.5 -57.1 -32.8 16.3 -29.4 41.3 49 50 A Y H > S+ 0 0 129 2,-0.2 4,-1.9 -11,-0.2 -1,-0.2 0.872 110.5 45.7 -74.7 -38.3 14.0 -29.0 44.5 50 51 A T H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.930 114.2 49.2 -66.4 -44.1 13.7 -32.7 45.0 51 52 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.869 107.1 56.8 -61.5 -39.0 17.4 -33.2 44.5 52 53 A A H X S+ 0 0 9 -4,-1.9 4,-2.0 -5,-0.2 3,-0.2 0.930 104.4 51.2 -59.6 -45.7 18.0 -30.3 46.9 53 54 A K H X S+ 0 0 42 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.939 110.3 49.8 -59.1 -47.3 16.0 -32.2 49.7 54 55 A E H X S+ 0 0 60 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.812 107.6 54.1 -59.0 -34.4 18.1 -35.3 49.1 55 56 A I H X>S+ 0 0 0 -4,-1.8 5,-2.1 -3,-0.2 4,-0.7 0.892 111.6 44.5 -66.8 -42.1 21.4 -33.2 49.3 56 57 A E H ><5S+ 0 0 94 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.932 111.9 52.5 -67.7 -42.9 20.3 -31.9 52.7 57 58 A E H 3<5S+ 0 0 161 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.796 105.0 56.7 -62.1 -28.8 19.2 -35.3 53.9 58 59 A A H 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.704 130.6 -92.0 -76.3 -18.9 22.7 -36.6 52.8 59 60 A G T <<5S+ 0 0 48 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.297 90.1 93.7 128.2 -5.5 24.4 -34.0 55.2 60 61 A G S - 0 0 46 -2,-0.3 3,-2.4 -32,-0.2 7,-0.3 -0.694 15.3-154.1 -77.4 113.1 19.3 -22.3 31.2 69 70 A I T 3 S+ 0 0 17 -2,-0.7 -1,-0.2 1,-0.3 56,-0.1 0.735 95.0 62.1 -60.9 -25.1 22.9 -23.4 30.6 70 71 A R T 3 S+ 0 0 88 1,-0.1 2,-0.6 55,-0.0 -1,-0.3 0.478 91.1 78.4 -76.5 -5.9 22.5 -22.3 27.0 71 72 A D S <> S- 0 0 73 -3,-2.4 4,-2.0 1,-0.1 3,-0.4 -0.928 70.2-157.3-107.8 110.7 21.9 -18.7 28.2 72 73 A G H > S+ 0 0 20 -2,-0.6 4,-2.5 1,-0.2 -1,-0.1 0.837 92.7 49.3 -54.5 -40.5 25.1 -17.0 29.2 73 74 A D H > S+ 0 0 130 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.849 108.5 53.9 -70.7 -32.1 23.5 -14.5 31.5 74 75 A A H > S+ 0 0 20 -3,-0.4 4,-2.4 -6,-0.3 -2,-0.2 0.906 110.1 47.7 -68.6 -38.6 21.6 -17.3 33.3 75 76 A V H X S+ 0 0 8 -4,-2.0 4,-2.4 -7,-0.3 -2,-0.2 0.950 112.0 49.3 -65.7 -51.1 24.9 -19.1 33.9 76 77 A A H X S+ 0 0 48 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.902 113.6 46.7 -49.1 -48.5 26.5 -15.9 35.2 77 78 A A H X S+ 0 0 59 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.890 109.3 53.9 -69.0 -37.6 23.5 -15.2 37.5 78 79 A A H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.934 111.9 44.6 -62.7 -42.0 23.5 -18.8 38.7 79 80 A V H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.907 112.2 52.5 -68.1 -40.0 27.2 -18.6 39.7 80 81 A A H X S+ 0 0 54 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.934 109.2 49.1 -61.2 -48.8 26.7 -15.1 41.3 81 82 A K H X S+ 0 0 99 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.878 109.3 53.6 -57.8 -36.7 23.9 -16.4 43.5 82 83 A T H X S+ 0 0 0 -4,-1.5 4,-3.0 -5,-0.2 5,-0.4 0.910 111.9 44.5 -67.3 -41.0 26.1 -19.3 44.5 83 84 A V H X S+ 0 0 34 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.868 111.5 51.2 -69.2 -43.0 28.9 -17.0 45.6 84 85 A E H < S+ 0 0 163 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.893 118.8 41.3 -59.5 -36.3 26.5 -14.6 47.4 85 86 A Q H < S+ 0 0 106 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.951 134.4 13.0 -80.5 -50.7 25.2 -17.6 49.2 86 87 A F H < S- 0 0 42 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.588 93.1-126.5-110.9 -16.8 28.3 -19.7 50.0 87 88 A G S < S+ 0 0 52 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.2 0.267 72.4 10.1 99.5 -8.0 31.2 -17.3 49.3 88 89 A G - 0 0 4 -6,-0.3 2,-0.5 46,-0.0 46,-0.2 -0.935 69.5-111.0 169.3 160.0 33.5 -19.1 46.9 89 90 A I + 0 0 0 44,-2.6 48,-0.2 -2,-0.3 -82,-0.2 -0.960 27.0 167.9-125.6 116.7 33.6 -22.2 44.6 90 91 A D S S+ 0 0 4 -84,-2.2 51,-2.1 -2,-0.5 2,-0.4 0.731 71.9 33.6 -88.2 -28.0 35.9 -25.2 45.3 91 92 A I E -bd 7 141A 5 -85,-1.7 -83,-2.8 49,-0.2 2,-0.5 -0.997 55.3-170.9-140.3 128.2 34.4 -27.6 42.7 92 93 A C E -bd 8 142A 0 49,-2.3 51,-3.2 -2,-0.4 2,-0.5 -0.985 10.0-170.9-119.0 118.0 32.9 -27.2 39.3 93 94 A V E -bd 9 143A 0 -85,-2.6 -83,-2.1 -2,-0.5 2,-0.9 -0.957 8.9-157.9-112.0 119.0 31.2 -30.3 37.9 94 95 A N E +bd 10 144A 0 49,-2.6 51,-2.4 -2,-0.5 -83,-0.1 -0.806 39.6 134.9 -94.5 99.3 30.1 -30.2 34.2 95 96 A N + 0 0 24 -2,-0.9 -84,-0.2 -85,-0.8 -1,-0.2 0.593 21.5 121.1-121.9 -15.3 27.4 -32.9 33.8 96 97 A A + 0 0 16 22,-0.1 2,-0.3 1,-0.1 27,-0.1 -0.262 46.6 170.7 -50.1 131.7 24.5 -31.3 31.9 97 98 A S - 0 0 69 2,-0.0 2,-0.3 22,-0.0 -2,-0.1 -0.866 29.1-163.4-146.2 173.2 24.3 -33.5 28.8 98 99 A A - 0 0 16 -2,-0.3 2,-0.3 17,-0.1 66,-0.0 -0.934 12.3-161.0-165.5 144.6 22.3 -34.3 25.8 99 100 A I + 0 0 92 -2,-0.3 2,-0.3 65,-0.0 -2,-0.0 -0.970 24.5 153.1-143.6 144.0 22.2 -37.3 23.4 100 101 A N - 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