==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-NOV-12 4I5F . COMPND 2 MOLECULE: ALCLOHOL DEHYDROGENASE/SHORT-CHAIN DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA SP.; . AUTHOR A.JARASCH,A.LERCHNER,W.MEINING,A.SCHIEFNER,A.SKERRA . 1864 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1485 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 304 16.3 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 . 160 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 236 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 657 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.1 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 5 3 0 0 1 0 7 16 16 0 4 4 0 0 0 0 5 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 0 8 8 32 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 . 0 0 0 0 0 8 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 A 0 0 85 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -53.7 -1.4 -19.9 3.0 2 2 A Y > + 0 0 143 1,-0.1 3,-1.3 28,-0.1 27,-0.1 -0.778 360.0 177.9-110.7 90.1 2.0 -18.8 2.0 3 3 A R T 3 S+ 0 0 44 -2,-0.7 212,-0.4 1,-0.3 27,-0.1 0.736 81.4 31.7 -66.9 -17.8 2.6 -15.8 4.4 4 4 A L T > S+ 0 0 3 25,-3.0 3,-2.2 22,-0.2 -1,-0.3 -0.110 81.9 172.3-130.5 33.4 6.1 -15.1 3.2 5 5 A L T < S- 0 0 105 -3,-1.3 26,-0.2 1,-0.3 25,-0.1 -0.220 74.0 -6.0 -48.3 116.5 5.9 -16.2 -0.5 6 6 A N T 3 S+ 0 0 118 24,-2.5 2,-0.4 1,-0.3 -1,-0.3 0.810 98.7 139.2 66.7 26.0 9.0 -15.3 -2.5 7 7 A K < - 0 0 64 -3,-2.2 25,-3.4 23,-0.4 2,-0.5 -0.823 49.1-136.2 -98.9 147.2 10.5 -13.3 0.6 8 8 A T E -a 32 0A 1 -2,-0.4 74,-2.3 23,-0.2 75,-1.9 -0.937 24.1-172.0-102.4 123.7 14.2 -13.7 1.3 9 9 A A E -ab 33 83A 1 23,-2.5 25,-2.0 -2,-0.5 2,-0.5 -0.902 14.2-157.0-115.7 140.2 15.0 -14.2 5.0 10 10 A V E -ab 34 84A 0 73,-2.5 75,-2.3 -2,-0.4 2,-0.5 -0.989 15.0-172.7-116.0 124.8 18.4 -14.2 6.7 11 11 A I E -ab 35 85A 0 23,-3.3 25,-2.1 -2,-0.5 3,-0.5 -0.954 7.5-160.0-120.7 118.8 18.4 -16.0 10.1 12 12 A T E S+a 36 0A 1 73,-2.2 25,-0.2 -2,-0.5 76,-0.1 -0.493 84.7 33.5 -96.6 163.7 21.5 -16.0 12.5 13 13 A G S > S+ 0 0 21 23,-0.6 3,-0.8 -2,-0.1 7,-0.4 0.868 85.5 150.5 52.3 34.7 21.8 -18.8 15.2 14 14 A G T 3 + 0 0 0 22,-2.3 23,-0.2 -3,-0.5 9,-0.1 0.641 44.7 72.6 -74.7 -16.2 20.1 -20.7 12.3 15 15 A G T 3 S+ 0 0 4 21,-0.4 2,-0.3 4,-0.1 -1,-0.2 0.507 104.3 5.8 -78.1 -6.6 21.4 -24.2 13.0 16 16 A S S X> S+ 0 0 56 -3,-0.8 4,-2.1 30,-0.0 3,-0.7 -0.958 102.0 4.3-156.2 169.6 19.4 -25.1 16.2 17 17 A G H 3> S- 0 0 27 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.032 120.9 -4.4 60.2-138.7 16.7 -24.1 18.6 18 18 A I H 3> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.850 133.9 55.8 -65.7 -35.3 14.6 -21.0 17.9 19 19 A G H <> S+ 0 0 0 -3,-0.7 4,-2.2 -6,-0.3 -2,-0.2 0.961 112.5 41.2 -58.8 -51.7 16.7 -20.1 14.8 20 20 A L H X S+ 0 0 15 -4,-2.1 4,-2.9 -7,-0.4 5,-0.2 0.920 113.3 54.3 -62.4 -42.7 16.1 -23.5 13.1 21 21 A A H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.925 109.9 47.5 -60.7 -36.5 12.5 -23.6 14.2 22 22 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.897 110.1 52.1 -70.5 -44.5 11.9 -20.1 12.6 23 23 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.914 109.9 49.4 -52.7 -52.0 13.7 -21.2 9.3 24 24 A K H X S+ 0 0 79 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.946 114.5 44.0 -55.8 -48.6 11.5 -24.3 9.0 25 25 A R H X S+ 0 0 62 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.873 111.8 53.4 -63.2 -36.8 8.3 -22.2 9.5 26 26 A F H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -22,-0.2 0.936 110.4 48.4 -67.7 -41.8 9.6 -19.5 7.2 27 27 A V H ><5S+ 0 0 4 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.942 108.4 51.8 -60.2 -46.6 10.2 -22.2 4.5 28 28 A A H 3<5S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.847 106.5 56.1 -64.1 -24.3 6.7 -23.7 5.1 29 29 A E T 3<5S- 0 0 19 -4,-1.8 -25,-3.0 -5,-0.2 -1,-0.3 0.253 128.6 -98.6 -84.9 10.2 5.3 -20.0 4.6 30 30 A G T < 5S+ 0 0 12 -3,-2.2 -24,-2.5 1,-0.2 -23,-0.4 0.637 75.6 141.9 85.9 18.1 7.1 -19.9 1.1 31 31 A A < - 0 0 2 -5,-2.4 2,-0.6 -26,-0.2 -1,-0.2 -0.540 52.2-128.1 -87.3 155.8 10.3 -18.0 2.0 32 32 A Y E -a 8 0A 40 -25,-3.4 -23,-2.5 -28,-0.2 2,-0.4 -0.916 37.9-154.5 -97.9 125.4 13.8 -18.5 0.8 33 33 A V E -ac 9 54A 0 20,-2.5 22,-2.0 -2,-0.6 2,-0.5 -0.863 24.1-160.5-113.0 137.4 16.0 -18.8 3.8 34 34 A F E -ac 10 55A 0 -25,-2.0 -23,-3.3 -2,-0.4 2,-0.5 -0.960 16.8-163.8 -96.0 119.7 19.7 -18.2 4.8 35 35 A I E -ac 11 56A 0 20,-2.2 22,-3.2 -2,-0.5 2,-0.4 -0.930 7.6-166.8-103.4 133.8 20.6 -20.1 8.0 36 36 A V E +ac 12 57A 1 -25,-2.1 -22,-2.3 -2,-0.5 -23,-0.6 -0.978 21.6 136.4-125.0 129.0 23.9 -18.8 9.5 37 37 A D E - c 0 58A 26 20,-2.0 22,-2.1 -2,-0.4 -2,-0.0 -0.949 54.1-113.7-165.8 174.7 25.8 -20.5 12.2 38 38 A V S S+ 0 0 73 -2,-0.3 2,-0.5 20,-0.2 22,-0.1 0.734 88.8 75.7 -94.7 -26.2 29.3 -21.5 13.3 39 39 A S > - 0 0 44 1,-0.1 4,-2.2 20,-0.1 5,-0.2 -0.802 58.8-159.3 -99.1 118.7 29.1 -25.3 13.1 40 40 A R H > S+ 0 0 126 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.901 93.9 51.3 -58.3 -43.3 29.3 -27.0 9.7 41 41 A K H > S+ 0 0 142 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.948 109.6 47.8 -64.8 -44.5 27.7 -30.2 11.0 42 42 A E H > S+ 0 0 66 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.926 112.6 50.8 -61.7 -47.8 24.8 -28.5 12.6 43 43 A L H X S+ 0 0 6 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.893 110.6 48.3 -55.5 -45.9 24.2 -26.5 9.4 44 44 A E H X S+ 0 0 108 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.958 113.9 46.1 -64.1 -49.3 24.2 -29.6 7.2 45 45 A Q H X S+ 0 0 127 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.921 115.7 48.4 -48.1 -48.1 21.8 -31.4 9.6 46 46 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.938 111.4 46.8 -65.8 -51.5 19.6 -28.2 9.7 47 47 A A H X S+ 0 0 28 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.922 112.8 51.5 -55.9 -44.1 19.6 -27.7 5.9 48 48 A A H < S+ 0 0 79 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.926 111.9 47.3 -57.4 -45.9 18.8 -31.4 5.5 49 49 A E H < S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.967 110.4 50.0 -59.0 -56.0 15.9 -31.0 8.0 50 50 A I H < S- 0 0 16 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.872 89.9-165.5 -52.7 -45.2 14.5 -27.9 6.3 51 51 A G < + 0 0 58 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.1 0.253 51.3 24.4 84.8 -15.1 14.6 -29.8 3.0 52 52 A R S S+ 0 0 121 -5,-0.1 3,-0.1 1,-0.1 -25,-0.0 -0.958 102.0 29.7-173.7 163.8 14.2 -26.9 0.4 53 53 A N S S+ 0 0 77 -2,-0.3 -20,-2.5 1,-0.1 2,-0.3 0.881 88.5 116.6 42.0 55.3 14.6 -23.2 -0.3 54 54 A V E -c 33 0A 26 -22,-0.2 2,-0.4 -3,-0.0 -20,-0.2 -0.982 45.5-167.6-151.9 134.0 17.7 -22.8 2.1 55 55 A T E -c 34 0A 26 -22,-2.0 -20,-2.2 -2,-0.3 2,-0.5 -0.970 19.8-146.9-118.9 137.5 21.3 -21.9 1.8 56 56 A A E -c 35 0A 39 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.891 12.5-166.8-107.7 131.5 23.4 -22.6 4.9 57 57 A V E -c 36 0A 5 -22,-3.2 -20,-2.0 -2,-0.5 2,-0.7 -0.978 15.8-144.6-126.6 126.0 26.3 -20.3 5.6 58 58 A K E +c 37 0A 115 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.754 45.0 142.7 -83.3 112.1 29.1 -21.0 8.2 59 59 A A - 0 0 3 -22,-2.1 2,-0.7 -2,-0.7 -20,-0.1 -0.975 51.6-137.2-150.8 142.6 29.9 -17.6 9.6 60 60 A D > - 0 0 47 -2,-0.3 3,-2.8 1,-0.1 6,-0.3 -0.918 22.2-158.0 -95.8 104.4 30.8 -16.3 13.1 61 61 A V T 3 S+ 0 0 22 -2,-0.7 57,-0.2 1,-0.3 -1,-0.1 0.541 87.0 67.6 -71.1 -7.2 28.6 -13.2 13.2 62 62 A T T 3 S+ 0 0 28 55,-0.1 2,-0.5 56,-0.0 -1,-0.3 0.478 88.3 82.3 -79.7 -3.5 30.8 -11.6 15.8 63 63 A K S <> S- 0 0 92 -3,-2.8 4,-1.9 1,-0.2 3,-0.3 -0.911 72.2-149.9-108.0 124.1 33.5 -11.4 13.1 64 64 A L H > S+ 0 0 51 -2,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.908 97.4 48.6 -60.2 -43.7 33.2 -8.4 10.7 65 65 A E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.812 106.3 55.3 -65.1 -35.8 34.8 -10.3 7.8 66 66 A D H > S+ 0 0 41 -6,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.884 109.4 50.1 -63.0 -36.4 32.6 -13.4 8.3 67 67 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -7,-0.3 -2,-0.2 0.867 107.9 52.1 -67.2 -36.5 29.6 -10.9 7.9 68 68 A D H X S+ 0 0 87 -4,-1.7 4,-1.8 2,-0.2 5,-0.2 0.918 112.0 46.7 -62.7 -44.9 31.1 -9.4 4.7 69 69 A R H X S+ 0 0 114 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.906 110.6 53.9 -64.6 -43.4 31.4 -12.9 3.3 70 70 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.940 111.1 44.1 -53.4 -50.9 27.8 -13.7 4.4 71 71 A Y H X S+ 0 0 11 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.778 106.5 57.8 -76.6 -23.6 26.3 -10.8 2.7 72 72 A A H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.876 109.8 47.8 -65.8 -40.1 28.3 -11.1 -0.5 73 73 A I H X S+ 0 0 45 -4,-1.9 4,-1.9 -5,-0.2 5,-0.3 0.929 112.9 48.3 -62.8 -43.7 26.7 -14.6 -0.7 74 74 A V H X>S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-1.0 0.952 112.2 49.7 -58.3 -46.4 23.3 -13.1 0.1 75 75 A R H X5S+ 0 0 119 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.904 112.9 44.8 -63.9 -43.6 23.7 -10.4 -2.5 76 76 A E H <5S+ 0 0 167 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.843 120.6 36.5 -73.1 -37.4 24.8 -12.8 -5.3 77 77 A Q H <5S+ 0 0 95 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.799 139.7 3.9 -82.4 -36.5 22.1 -15.5 -4.8 78 78 A R H <5S- 0 0 84 -4,-2.6 2,-1.6 -5,-0.3 -3,-0.2 0.378 82.7-143.6-137.6 -3.7 19.0 -13.6 -3.8 79 79 A G << + 0 0 25 -4,-1.1 2,-0.3 -5,-1.0 -2,-0.1 -0.480 68.7 22.8 77.9 -78.1 19.9 -9.9 -4.0 80 80 A S S S- 0 0 20 -2,-1.6 2,-0.5 -6,-0.1 46,-0.2 -0.816 72.9-118.5-127.5 163.9 18.1 -8.2 -1.1 81 81 A I E + d 0 126A 0 44,-2.6 46,-2.4 -2,-0.3 -72,-0.2 -0.894 18.6 179.9-110.7 121.5 16.6 -9.2 2.3 82 82 A D E S+ 0 0 9 -74,-2.3 49,-2.3 -2,-0.5 2,-0.4 0.783 79.5 26.4 -82.9 -34.2 12.9 -9.0 3.2 83 83 A V E -bd 9 131A 3 -75,-1.9 -73,-2.5 47,-0.2 2,-0.6 -0.971 61.4-171.7-138.8 121.7 13.3 -10.4 6.7 84 84 A L E -bd 10 132A 0 47,-2.2 49,-2.2 -2,-0.4 2,-0.8 -0.944 1.1-173.1-113.5 114.7 16.4 -10.3 9.0 85 85 A F E -bd 11 133A 0 -75,-2.3 -73,-2.2 -2,-0.6 2,-1.4 -0.867 8.4-166.8-105.4 98.4 16.0 -12.4 12.2 86 86 A A E + d 0 134A 0 47,-1.9 49,-1.4 -2,-0.8 2,-0.6 -0.748 16.4 173.8 -96.4 85.2 19.3 -11.4 14.0 87 87 A N + 0 0 14 -2,-1.4 2,-0.3 47,-0.2 -73,-0.1 -0.918 7.0 153.7-104.3 119.5 19.1 -14.1 16.5 88 88 A S + 0 0 17 -2,-0.6 23,-0.1 47,-0.2 2,-0.1 -0.892 10.4 146.8-134.9 161.2 22.3 -14.2 18.7 89 89 A G + 0 0 48 -2,-0.3 2,-0.3 21,-0.1 22,-0.1 -0.202 14.5 156.7 158.4 128.7 22.6 -15.5 22.1 90 90 A A - 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