==== 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 23-DEC-09 3L6E . COMPND 2 MOLECULE: OXIDOREDUCTASE, SHORT-CHAIN DEHYDROGENASE/REDUCTA . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA SUBSP. HYDROPHILA . AUTHOR V.N.MALASHKEVICH,Y.PATSKOVSKY,R.TORO,J.M.SAUDER,S.K.BURLEY,S . 420 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 81.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.9 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 . 2 0.5 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 . 46 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 0 0 0 0 0 0 4 2 0 0 2 0 0 0 0 0 2 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 0 7 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 . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3 A L 0 0 199 0, 0.0 2,-0.5 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -42.9 93.8 5.8 -8.2 2 4 A G - 0 0 11 23,-0.5 25,-2.7 74,-0.0 2,-0.5 -0.602 360.0-143.4 -74.1 117.9 90.7 7.5 -6.7 3 5 A H E +a 27 0A 4 -2,-0.5 74,-2.7 72,-0.3 75,-1.1 -0.735 21.4 178.9 -90.1 124.8 88.4 8.7 -9.5 4 6 A I E -ab 28 78A 2 23,-2.6 25,-3.1 -2,-0.5 2,-0.5 -0.954 16.7-151.3-121.5 139.7 86.6 12.0 -9.0 5 7 A I E -ab 29 79A 0 73,-3.0 75,-3.4 -2,-0.4 2,-0.5 -0.956 14.6-173.2-107.1 131.5 84.2 13.8 -11.4 6 8 A V E -ab 30 80A 0 23,-2.4 25,-3.2 -2,-0.5 3,-0.4 -0.976 5.4-160.6-127.1 120.1 84.1 17.5 -11.2 7 9 A T E S+a 31 0A 0 73,-2.7 25,-0.2 -2,-0.5 75,-0.1 -0.530 77.0 31.4 -91.8 164.7 81.6 19.6 -13.2 8 10 A G S > S+ 0 0 23 23,-0.6 3,-1.4 -2,-0.2 6,-0.5 0.917 75.0 161.6 55.2 43.1 82.0 23.3 -14.0 9 11 A A T 3 + 0 0 0 22,-2.5 23,-0.2 -3,-0.4 9,-0.2 0.672 62.5 62.1 -74.0 -17.7 85.7 22.5 -13.9 10 12 A G T 3 S+ 0 0 5 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.541 83.3 100.1 -82.0 -10.4 86.5 25.7 -15.8 11 13 A S S <> S- 0 0 25 -3,-1.4 4,-3.3 1,-0.1 5,-0.2 -0.359 89.1-113.1 -71.0 157.1 85.1 27.9 -12.9 12 14 A G H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.919 123.2 45.7 -54.7 -42.2 87.5 29.5 -10.4 13 15 A L H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 112.9 46.7 -64.3 -54.0 85.8 27.2 -7.9 14 16 A G H > S+ 0 0 0 -6,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.859 112.3 52.5 -60.1 -38.0 86.0 24.1 -10.1 15 17 A R H X S+ 0 0 71 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.964 111.2 46.0 -57.3 -55.7 89.6 24.9 -11.0 16 18 A A H X S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.880 114.0 47.9 -60.2 -42.6 90.6 25.1 -7.3 17 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.898 112.3 49.6 -64.1 -40.9 88.7 22.0 -6.3 18 20 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.944 112.2 47.7 -63.6 -49.5 90.3 20.1 -9.3 19 21 A I H X S+ 0 0 30 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.896 112.0 50.9 -54.5 -45.4 93.8 21.2 -8.3 20 22 A G H X S+ 0 0 10 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.858 109.2 48.1 -66.1 -41.6 93.2 20.3 -4.6 21 23 A L H <>S+ 0 0 8 -4,-2.0 5,-2.9 2,-0.2 -1,-0.2 0.808 111.5 52.0 -68.6 -33.1 92.0 16.8 -5.3 22 24 A V H ><5S+ 0 0 30 -4,-1.8 3,-2.1 3,-0.2 -2,-0.2 0.941 107.9 50.4 -66.3 -48.0 94.9 16.2 -7.6 23 25 A E H 3<5S+ 0 0 162 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.786 107.1 56.0 -58.7 -30.4 97.3 17.4 -4.9 24 26 A R T 3<5S- 0 0 97 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.235 129.2 -99.0 -87.0 13.1 95.6 14.9 -2.5 25 27 A G T < 5S+ 0 0 54 -3,-2.1 -23,-0.5 1,-0.2 -3,-0.2 0.584 77.1 134.7 87.5 13.8 96.4 12.1 -5.0 26 28 A H < - 0 0 43 -5,-2.9 2,-0.4 -25,-0.1 -1,-0.2 -0.549 52.3-127.5 -93.8 157.5 93.1 11.8 -7.0 27 29 A Q E -a 3 0A 68 -25,-2.7 -23,-2.6 -2,-0.2 2,-0.5 -0.842 30.3-153.4 -95.5 143.2 92.4 11.4 -10.7 28 30 A V E -ac 4 49A 0 20,-2.5 22,-1.5 -2,-0.4 2,-0.9 -0.956 19.2-155.7-131.9 121.5 89.9 13.9 -12.0 29 31 A S E -ac 5 50A 0 -25,-3.1 -23,-2.4 -2,-0.5 2,-0.6 -0.841 26.7-152.9 -87.8 106.6 87.5 13.9 -14.9 30 32 A X E -ac 6 51A 0 20,-2.9 22,-3.1 -2,-0.9 2,-0.5 -0.724 10.6-167.8 -85.8 121.0 86.9 17.6 -15.5 31 33 A X E +ac 7 52A 0 -25,-3.2 -22,-2.5 -2,-0.6 -23,-0.6 -0.941 21.4 144.4-110.0 131.9 83.6 18.5 -17.1 32 34 A G E - c 0 53A 6 20,-1.6 22,-1.9 -2,-0.5 3,-0.1 -0.994 52.6-131.6-161.0 157.5 83.0 22.0 -18.5 33 35 A R S S+ 0 0 169 -2,-0.3 2,-0.8 20,-0.2 -1,-0.1 0.705 93.4 71.3 -79.1 -23.4 81.3 24.1 -21.2 34 36 A R >> - 0 0 124 1,-0.2 4,-1.3 20,-0.1 3,-0.7 -0.832 59.9-170.6-110.6 100.5 84.5 26.0 -22.0 35 37 A Y H 3> S+ 0 0 129 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.779 81.6 62.3 -60.8 -35.7 87.2 24.0 -23.8 36 38 A Q H 3> S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 107.0 45.9 -59.7 -40.7 90.0 26.6 -23.5 37 39 A R H <> S+ 0 0 93 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.783 109.6 54.0 -72.4 -34.1 89.8 26.4 -19.7 38 40 A L H X S+ 0 0 3 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.913 110.8 47.0 -64.1 -41.7 89.8 22.6 -19.8 39 41 A Q H X S+ 0 0 114 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.872 107.8 54.7 -66.4 -41.3 93.0 22.6 -21.9 40 42 A Q H X S+ 0 0 89 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.858 110.8 47.5 -62.0 -34.6 94.8 25.1 -19.7 41 43 A Q H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 5,-0.3 0.844 109.5 51.8 -74.6 -36.1 94.0 22.7 -16.8 42 44 A E H X S+ 0 0 71 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.903 109.6 50.8 -64.4 -40.5 95.3 19.7 -18.8 43 45 A L H < S+ 0 0 165 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.842 115.6 43.2 -62.8 -37.7 98.5 21.6 -19.5 44 46 A L H < S+ 0 0 102 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.892 128.5 24.0 -75.0 -41.4 98.9 22.4 -15.8 45 47 A L H >< S- 0 0 30 -4,-2.5 3,-1.4 1,-0.2 -3,-0.2 0.544 84.6-174.2-113.0 -11.0 98.0 18.9 -14.3 46 48 A G G >< + 0 0 36 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.2 -0.242 66.0 5.8 62.6-128.6 98.8 16.5 -17.2 47 49 A N G 3 S+ 0 0 148 1,-0.3 -1,-0.2 3,-0.0 -5,-0.1 0.455 114.7 78.1 -76.6 -1.4 97.9 12.8 -16.8 48 50 A A G < S+ 0 0 14 -3,-1.4 -20,-2.5 -6,-0.1 2,-0.3 0.624 103.6 26.1 -76.3 -15.3 96.1 13.4 -13.5 49 51 A V E < -c 28 0A 3 -3,-1.5 2,-0.3 -22,-0.2 -20,-0.2 -0.913 59.8-150.6-142.4 162.7 93.1 14.7 -15.4 50 52 A I E -c 29 0A 30 -22,-1.5 -20,-2.9 -2,-0.3 2,-0.7 -0.991 19.3-133.4-132.6 145.9 91.0 14.8 -18.6 51 53 A G E -c 30 0A 24 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.860 20.1-173.9 -92.8 115.7 88.9 17.5 -20.0 52 54 A I E -c 31 0A 17 -22,-3.1 -20,-1.6 -2,-0.7 2,-0.4 -0.966 17.2-145.1-104.8 116.5 85.5 16.3 -21.2 53 55 A V E +c 32 0A 85 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.731 36.4 150.6 -81.8 132.4 83.7 19.1 -22.9 54 56 A A - 0 0 11 -22,-1.9 2,-0.7 -2,-0.4 8,-0.1 -0.964 47.4-138.0-159.4 142.9 80.0 18.9 -22.2 55 57 A D > - 0 0 52 -2,-0.3 3,-1.0 3,-0.1 6,-0.1 -0.936 24.0-156.4-102.7 107.6 76.9 21.1 -21.9 56 58 A L T 3 S+ 0 0 16 -2,-0.7 51,-0.2 1,-0.3 52,-0.2 0.275 74.7 82.4 -76.5 14.7 75.3 19.6 -18.9 57 59 A A T 3 S+ 0 0 14 50,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.268 79.6 70.4-103.1 11.2 71.8 20.8 -19.7 58 60 A H S <> S- 0 0 95 -3,-1.0 4,-1.9 1,-0.1 5,-0.2 -0.987 74.6-136.4-134.9 128.4 70.8 18.1 -22.2 59 61 A H H > S+ 0 0 106 -2,-0.4 4,-1.6 1,-0.3 -1,-0.1 0.773 105.9 45.3 -52.3 -40.1 70.1 14.4 -21.3 60 62 A E H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.938 110.6 53.9 -67.6 -46.7 72.1 13.0 -24.2 61 63 A D H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.812 109.5 48.9 -57.6 -34.2 75.0 15.3 -23.6 62 64 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.905 109.1 52.6 -71.5 -43.7 75.2 14.2 -20.0 63 65 A D H X S+ 0 0 55 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.896 112.3 45.2 -55.0 -46.8 75.1 10.5 -21.0 64 66 A V H X S+ 0 0 104 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.914 112.1 50.1 -67.3 -46.9 78.0 11.0 -23.4 65 67 A A H X S+ 0 0 2 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.851 112.2 47.0 -63.4 -39.0 80.2 13.0 -21.0 66 68 A F H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.837 107.0 58.2 -73.8 -31.8 79.8 10.5 -18.2 67 69 A A H X S+ 0 0 59 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.848 108.3 45.6 -63.6 -39.2 80.6 7.6 -20.5 68 70 A A H X S+ 0 0 32 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.891 111.9 52.6 -70.0 -41.2 83.9 9.1 -21.4 69 71 A A H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.955 113.3 41.6 -59.2 -54.9 84.7 9.8 -17.7 70 72 A V H X S+ 0 0 40 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.897 112.0 58.6 -57.6 -40.1 84.0 6.2 -16.6 71 73 A E H < S+ 0 0 165 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.903 115.9 33.5 -53.7 -43.5 85.9 5.1 -19.8 72 74 A W H < S+ 0 0 90 -4,-2.2 -2,-0.2 -3,-0.1 -1,-0.2 0.817 137.3 16.3 -88.7 -34.1 89.0 7.0 -18.6 73 75 A G H < S- 0 0 28 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.394 96.3-125.1-122.2 4.1 88.8 6.6 -14.8 74 76 A G < - 0 0 33 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.199 66.4 -16.8 71.9-176.4 86.4 3.8 -14.1 75 77 A L S S- 0 0 71 1,-0.1 -72,-0.3 -4,-0.1 2,-0.2 -0.321 80.1-118.4 -60.5 140.0 83.4 4.4 -11.8 76 78 A P - 0 0 0 0, 0.0 -72,-0.2 0, 0.0 3,-0.1 -0.535 16.2-158.8 -83.8 147.9 83.7 7.5 -9.6 77 79 A E S S+ 0 0 94 -74,-2.7 45,-2.8 1,-0.3 2,-0.4 0.719 85.9 29.5 -82.8 -31.7 83.9 7.7 -5.8 78 80 A L E -bd 4 122A 15 -75,-1.1 -73,-3.0 43,-0.2 2,-0.6 -0.993 57.8-165.7-138.5 128.7 82.8 11.4 -5.9 79 81 A V E -bd 5 123A 0 43,-2.8 45,-3.5 -2,-0.4 2,-0.8 -0.974 14.6-166.6-108.5 114.6 80.7 13.5 -8.2 80 82 A L E -bd 6 124A 0 -75,-3.4 -73,-2.7 -2,-0.6 2,-0.7 -0.904 4.8-161.4-105.5 105.4 81.3 17.1 -7.4 81 83 A H E - d 0 125A 1 43,-3.8 45,-3.2 -2,-0.8 2,-0.8 -0.828 10.2-174.8 -96.6 115.6 78.7 19.2 -9.1 82 84 A C E + d 0 126A 6 -2,-0.7 3,-0.1 43,-0.2 -71,-0.1 -0.807 6.2 176.7-105.8 86.2 79.6 22.9 -9.5 83 85 A A - 0 0 14 43,-0.8 2,-0.3 -2,-0.8 -1,-0.2 0.771 24.7-166.4 -60.1 -23.4 76.4 24.4 -11.0 84 86 A G - 0 0 19 42,-0.3 44,-0.3 -3,-0.1 -1,-0.2 -0.587 16.2-114.1 74.8-131.2 78.3 27.8 -10.7 85 87 A T 0 0 41 -2,-0.3 15,-0.1 -3,-0.1 44,-0.0 -0.408 360.0 360.0-161.7-117.0 75.9 30.7 -11.1 86 88 A G 0 0 79 -2,-0.1 11,-0.1 14,-0.0 -2,-0.0 0.033 360.0 360.0-171.6 360.0 75.4 33.5 -13.7 87 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 88 95 A V 0 0 183 0, 0.0 2,-0.2 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 20.7 64.0 44.0 -15.1 89 96 A Y - 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