==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-SEP-11 3U0B . COMPND 2 MOLECULE: OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTA . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR T.L.ARAKAKI,B.L.STAKER,M.CLIFTON,J.ABENDROTH,SEATTLE STRUCTU . 415 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 26 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 0 2 1 0 0 2 4 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 4 3 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 26 A Q 0 0 136 0, 0.0 2,-0.2 0, 0.0 377,-0.0 0.000 360.0 360.0 360.0 149.0 10.1 30.4 -13.4 2 27 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 376,-0.1 -0.498 360.0-120.4 -69.2 142.2 8.2 27.4 -14.7 3 28 A E - 0 0 37 374,-0.4 2,-0.9 -2,-0.2 123,-0.0 -0.498 18.5-117.7 -75.8 144.0 9.9 25.5 -17.4 4 29 A T - 0 0 128 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 -0.757 43.8-132.7 -76.9 110.2 8.3 25.1 -20.9 5 30 A L - 0 0 9 -2,-0.9 2,-0.2 1,-0.1 121,-0.1 -0.471 6.4-119.9 -78.3 135.1 8.0 21.3 -20.8 6 31 A R - 0 0 64 -2,-0.2 2,-0.3 152,-0.1 152,-0.1 -0.457 37.9-175.8 -61.7 132.7 9.0 19.2 -23.7 7 32 A R - 0 0 68 -2,-0.2 2,-0.2 150,-0.1 149,-0.2 -0.849 26.0 -88.6-130.6 172.0 6.0 17.2 -25.0 8 33 A Y + 0 0 22 147,-0.3 146,-0.0 -2,-0.3 3,-0.0 -0.571 34.4 175.6 -91.7 138.8 5.6 14.5 -27.7 9 34 A R > - 0 0 174 -2,-0.2 3,-2.0 0, 0.0 146,-0.1 -0.962 48.3 -79.2-128.6 151.1 4.9 14.9 -31.4 10 35 A P T 3 S+ 0 0 75 0, 0.0 170,-0.1 0, 0.0 197,-0.0 -0.163 115.5 16.1 -49.7 132.4 4.8 12.0 -33.9 11 36 A G T 3 S+ 0 0 60 1,-0.3 168,-0.0 168,-0.1 -3,-0.0 0.357 88.5 143.9 88.1 -4.6 8.2 10.8 -35.1 12 37 A D < - 0 0 38 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.369 55.1-114.8 -67.3 143.3 10.2 12.5 -32.2 13 38 A P - 0 0 84 0, 0.0 142,-0.3 0, 0.0 -1,-0.1 -0.410 32.0-112.3 -66.7 159.6 13.2 10.7 -30.8 14 39 A P S S+ 0 0 29 0, 0.0 141,-0.4 0, 0.0 2,-0.3 0.928 91.5 28.0 -65.5 -41.7 12.5 9.7 -27.2 15 40 A L - 0 0 20 2,-0.2 2,-1.0 139,-0.1 41,-0.1 -0.891 60.7-139.2-124.7 151.3 15.1 12.0 -25.6 16 41 A A S S+ 0 0 56 -2,-0.3 2,-0.2 70,-0.2 69,-0.1 -0.871 91.8 12.2 -98.8 86.1 16.8 15.3 -26.2 17 42 A G S S- 0 0 33 -2,-1.0 23,-0.4 38,-0.1 37,-0.2 -0.736 101.8 -49.4 134.5-174.9 20.1 14.1 -25.0 18 43 A S E -a 54 0A 1 35,-2.0 37,-2.5 -2,-0.2 38,-2.0 -0.291 41.0-126.9 -88.1 170.4 21.8 10.9 -24.2 19 44 A L E -ab 56 41A 0 21,-2.5 23,-2.4 36,-0.2 2,-0.5 -0.982 19.5-166.1-119.6 115.8 20.7 8.0 -21.9 20 45 A L E -ab 57 42A 0 36,-2.3 38,-3.0 -2,-0.5 2,-0.5 -0.913 5.7-172.0-101.9 124.2 23.2 6.9 -19.1 21 46 A I E +a 58 0A 2 21,-1.0 23,-0.3 -2,-0.5 2,-0.2 -0.983 18.8 146.5-115.9 129.0 22.4 3.6 -17.5 22 47 A G E +a 59 0A 7 36,-2.7 38,-2.8 -2,-0.5 3,-0.2 -0.778 12.0 96.8-145.4-169.3 24.3 2.5 -14.4 23 48 A G - 0 0 14 36,-0.2 38,-0.1 -2,-0.2 5,-0.1 0.010 66.5-104.2 94.7 154.6 24.1 0.6 -11.2 24 49 A S S S+ 0 0 112 36,-0.3 -1,-0.1 4,-0.1 37,-0.1 -0.152 76.1 109.5-113.1 42.3 25.1 -3.0 -10.6 25 50 A G S S- 0 0 24 35,-0.4 4,-0.4 -3,-0.2 35,-0.1 -0.122 84.2 -82.8 -96.6-160.2 21.8 -4.9 -10.4 26 51 A R S S+ 0 0 84 1,-0.2 -2,-0.0 2,-0.1 35,-0.0 0.368 117.7 51.8 -87.3 0.2 19.9 -7.3 -12.6 27 52 A V S > S+ 0 0 1 66,-0.1 4,-2.4 2,-0.1 5,-0.3 0.728 84.6 76.9-107.8 -33.5 18.4 -4.6 -14.9 28 53 A A H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 99.3 42.1 -51.6 -51.6 21.1 -2.4 -16.2 29 54 A E H > S+ 0 0 109 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.957 116.1 44.6 -66.9 -50.6 22.5 -4.8 -18.8 30 55 A P H > S+ 0 0 31 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.834 112.7 54.3 -64.5 -28.7 19.3 -6.1 -20.3 31 56 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.922 106.9 50.7 -68.5 -43.3 17.9 -2.5 -20.3 32 57 A R H X S+ 0 0 71 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.937 111.7 48.9 -54.1 -45.5 21.0 -1.4 -22.3 33 58 A T H < S+ 0 0 100 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.925 113.4 45.9 -62.7 -44.2 20.4 -4.2 -24.8 34 59 A A H < S+ 0 0 37 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.850 120.6 36.8 -67.7 -39.5 16.7 -3.4 -25.1 35 60 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.4 0.493 86.8 97.5 -96.6 -3.7 17.1 0.4 -25.6 36 61 A A T < S+ 0 0 47 -4,-1.4 5,-0.3 -3,-0.3 -1,-0.2 0.830 82.7 49.5 -57.6 -41.4 20.3 0.5 -27.6 37 62 A D T 4 S+ 0 0 158 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.891 120.5 33.9 -66.4 -36.2 18.7 0.9 -31.1 38 63 A D T 4 S+ 0 0 79 -3,-0.4 2,-0.3 -4,-0.2 -2,-0.2 0.587 116.2 50.8-100.5 -13.1 16.4 3.7 -30.1 39 64 A Y S < S- 0 0 17 -4,-1.9 2,-1.1 -25,-0.1 -21,-0.1 -0.890 80.2-118.5-125.5 150.5 18.4 5.7 -27.5 40 65 A N - 0 0 99 -23,-0.4 -21,-2.5 -2,-0.3 2,-0.2 -0.795 40.7-155.8 -91.8 97.2 21.9 7.1 -27.6 41 66 A L E +b 19 0A 50 -2,-1.1 2,-0.3 -5,-0.3 -21,-0.2 -0.536 17.6 176.4 -77.5 137.5 23.4 5.2 -24.7 42 67 A V E -b 20 0A 39 -23,-2.4 -21,-1.0 -2,-0.2 2,-0.3 -0.889 17.3-135.4-128.4 163.9 26.4 6.5 -22.8 43 68 A S - 0 0 76 -2,-0.3 -21,-0.1 -23,-0.2 2,-0.1 -0.818 25.8 -96.5-117.3 160.9 28.2 5.1 -19.7 44 69 A N - 0 0 71 -23,-0.3 2,-0.3 -2,-0.3 -1,-0.1 -0.368 43.3-175.4 -64.3 146.8 29.6 6.4 -16.5 45 70 A N > - 0 0 58 1,-0.1 3,-1.2 -2,-0.1 5,-0.0 -0.988 34.4-126.3-145.2 150.6 33.3 7.2 -16.6 46 71 A I T 3 S+ 0 0 186 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.751 106.9 64.5 -71.6 -19.6 35.7 8.4 -13.9 47 72 A G T 3 S- 0 0 66 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.656 100.6-133.5 -73.0 -16.1 36.8 11.4 -16.1 48 73 A G < + 0 0 44 -3,-1.2 2,-0.5 1,-0.2 -2,-0.1 0.886 54.0 146.3 62.9 42.0 33.3 12.8 -15.9 49 74 A R + 0 0 207 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.946 15.7 157.5-119.1 124.5 33.3 13.5 -19.6 50 75 A W - 0 0 41 -2,-0.5 4,-0.0 1,-0.1 -8,-0.0 -0.985 34.6-144.6-143.8 129.9 30.3 13.3 -21.9 51 76 A A S S+ 0 0 103 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.886 85.6 37.7 -60.1 -39.1 29.8 15.1 -25.2 52 77 A D S S- 0 0 84 1,-0.1 2,-0.1 33,-0.0 -35,-0.0 -0.714 88.1-103.9-113.1 159.0 26.1 15.7 -24.7 53 78 A S - 0 0 57 -2,-0.3 -35,-2.0 1,-0.1 2,-0.5 -0.451 50.1 -99.0 -67.6 154.7 23.8 16.6 -21.8 54 79 A F E -ac 18 84A 0 29,-2.6 31,-2.9 -37,-0.2 -35,-0.2 -0.676 30.8-175.3 -83.0 124.9 21.8 13.7 -20.4 55 80 A G E S+ 0 0 3 -37,-2.5 34,-1.8 -2,-0.5 2,-0.3 0.656 81.1 12.8 -82.9 -23.4 18.2 13.4 -21.6 56 81 A G E -ac 19 89A 0 -38,-2.0 -36,-2.3 32,-0.2 2,-0.4 -0.989 58.1-167.1-153.1 146.0 17.9 10.5 -19.1 57 82 A V E -ac 20 90A 1 32,-2.9 34,-2.7 -2,-0.3 2,-0.5 -0.981 11.9-170.9-133.7 121.9 19.8 8.8 -16.3 58 83 A V E -ac 21 91A 1 -38,-3.0 -36,-2.7 -2,-0.4 2,-0.6 -0.963 4.2-165.5-116.6 126.8 18.8 5.4 -15.0 59 84 A F E -ac 22 92A 0 32,-3.0 34,-2.5 -2,-0.5 2,-0.9 -0.944 12.7-147.1-110.0 118.3 20.2 3.9 -11.8 60 85 A D E + c 0 93A 2 -38,-2.8 -35,-0.4 -2,-0.6 -36,-0.3 -0.772 25.5 167.4 -82.1 103.6 19.7 0.2 -11.3 61 86 A A > + 0 0 0 32,-2.9 3,-1.8 -2,-0.9 34,-0.2 0.233 44.1 108.2 -97.7 8.0 19.3 -0.3 -7.5 62 87 A T T 3 S+ 0 0 15 31,-0.5 -1,-0.2 1,-0.3 32,-0.1 0.722 76.4 55.3 -64.3 -19.2 18.0 -3.9 -7.7 63 88 A G T 3 S+ 0 0 45 -3,-0.3 2,-0.4 6,-0.1 -1,-0.3 0.535 79.9 106.9 -87.6 -8.0 21.3 -5.2 -6.3 64 89 A I < + 0 0 10 -3,-1.8 45,-0.1 1,-0.1 3,-0.1 -0.621 31.9 157.1 -81.5 125.8 21.3 -3.0 -3.1 65 90 A T + 0 0 69 -2,-0.4 2,-0.3 1,-0.2 43,-0.2 0.444 54.6 49.7-127.7 -6.9 20.5 -5.2 -0.1 66 91 A E S >> S- 0 0 75 39,-0.1 3,-1.4 1,-0.1 4,-0.5 -0.975 80.8-115.4-138.9 152.3 22.0 -3.3 2.9 67 92 A A G >4 S+ 0 0 64 -2,-0.3 3,-1.3 1,-0.3 4,-0.3 0.834 115.3 59.6 -59.5 -32.9 21.7 0.3 4.2 68 93 A E G >4 S+ 0 0 151 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.836 98.4 61.6 -60.6 -32.1 25.4 0.8 3.6 69 94 A G G X4 S+ 0 0 29 -3,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.677 83.2 76.8 -69.0 -18.8 24.8 0.1 -0.0 70 95 A L G XX S+ 0 0 42 -3,-1.3 3,-1.9 -4,-0.5 4,-0.5 0.704 74.6 80.5 -63.9 -19.4 22.4 3.0 -0.4 71 96 A K H X> S+ 0 0 142 -3,-1.3 4,-2.6 -4,-0.3 3,-0.8 0.773 76.2 73.0 -59.1 -23.8 25.6 5.2 -0.5 72 97 A E H <> S+ 0 0 65 -3,-1.6 4,-2.6 1,-0.3 5,-0.4 0.774 85.8 64.5 -64.2 -24.1 25.8 4.2 -4.2 73 98 A L H <> S+ 0 0 12 -3,-1.9 4,-2.0 -4,-0.2 5,-0.3 0.914 109.5 39.0 -60.5 -40.6 22.8 6.5 -4.8 74 99 A Y H X S+ 0 0 5 -4,-2.0 3,-1.8 -5,-0.4 4,-1.2 0.853 100.7 70.3 -75.3 -37.6 24.1 10.6 -8.9 78 103 A T G >< S+ 0 0 64 -4,-2.3 3,-0.5 1,-0.3 4,-0.4 0.898 102.9 44.7 -58.8 -41.0 26.0 13.5 -7.4 79 104 A P G 34 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.592 115.1 50.6 -72.6 -11.7 28.6 13.7 -10.2 80 105 A L G X4 S+ 0 0 1 -3,-1.8 3,-1.5 -4,-0.3 -26,-0.2 0.622 85.7 82.0 -96.5 -19.2 25.9 13.4 -12.9 81 106 A L G X< S+ 0 0 49 -4,-1.2 3,-1.4 -3,-0.5 -1,-0.1 0.827 84.1 59.1 -68.7 -28.1 23.4 16.0 -11.9 82 107 A R G 3 S+ 0 0 226 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.652 101.2 57.8 -76.2 -11.4 25.1 19.0 -13.4 83 108 A N G < S+ 0 0 37 -3,-1.5 -29,-2.6 -30,-0.1 -1,-0.3 0.216 76.6 125.4-100.8 11.3 25.0 17.4 -16.9 84 109 A L E < -c 54 0A 35 -3,-1.4 -29,-0.2 -31,-0.2 3,-0.1 -0.508 54.7-134.6 -71.0 136.3 21.2 17.0 -17.0 85 110 A A E > - 0 0 11 -31,-2.9 3,-1.6 -2,-0.2 -1,-0.1 -0.458 40.9 -79.0 -75.7 158.5 19.3 18.5 -20.0 86 111 A P E 3 S+ 0 0 61 0, 0.0 40,-0.2 0, 0.0 -70,-0.2 -0.361 122.0 15.3 -55.4 143.0 16.2 20.5 -19.5 87 112 A C E 3 S+ 0 0 10 38,-2.7 39,-0.1 37,-0.3 -71,-0.1 0.771 93.0 166.9 56.4 29.9 13.2 18.1 -19.0 88 113 A A E < - 0 0 1 -3,-1.6 40,-2.2 36,-0.3 2,-0.5 -0.237 32.5-126.5 -67.3 162.2 15.7 15.2 -18.3 89 114 A R E -cd 56 128A 2 -34,-1.8 -32,-2.9 38,-0.2 2,-0.5 -0.965 20.0-169.6-118.9 119.6 14.4 12.0 -16.9 90 115 A V E -cd 57 129A 0 38,-2.6 40,-1.6 -2,-0.5 2,-0.4 -0.930 13.4-179.8-107.7 129.1 16.0 10.5 -13.8 91 116 A V E -cd 58 130A 0 -34,-2.7 -32,-3.0 -2,-0.5 2,-0.5 -0.996 18.5-163.2-133.8 134.7 14.8 6.9 -12.9 92 117 A V E -cd 59 131A 0 38,-2.1 40,-2.6 -2,-0.4 2,-0.5 -0.971 12.4-158.1-111.1 132.3 15.7 4.5 -10.1 93 118 A V E +cd 60 132A 0 -34,-2.5 -32,-2.9 -2,-0.5 -31,-0.5 -0.962 21.7 163.2-110.5 123.8 14.8 0.9 -10.7 94 119 A G E - d 0 133A 0 38,-2.7 40,-2.2 -2,-0.5 2,-0.4 -0.674 40.3 -91.1-124.5-177.1 14.4 -1.3 -7.6 95 120 A T E - 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