==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JUL-08 3E03 . COMPND 2 MOLECULE: SHORT CHAIN DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR P.SAMPATHKUMAR,S.WASSERMAN,M.RUTTER,S.HU,K.BAIN,L.RODGERS, . 810 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.5 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 . 76 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.6 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 3 3 0 0 3 6 3 0 0 6 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 6 5 4 3 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 . 6 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 3 0 0 0 3 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 50 0, 0.0 477,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.2 87.2 25.7 44.9 2 3 A L - 0 0 56 475,-0.1 2,-0.3 476,-0.1 475,-0.1 -0.464 360.0-169.8 -73.2 146.6 88.5 27.4 41.8 3 4 A T - 0 0 72 220,-0.1 23,-0.1 -2,-0.1 27,-0.0 -0.974 38.8-147.2-144.2 148.7 88.5 31.2 41.9 4 5 A L > + 0 0 5 -2,-0.3 3,-2.1 22,-0.2 28,-0.3 0.129 51.1 147.6 -97.1 16.7 88.9 34.3 39.8 5 6 A S T 3 S+ 0 0 71 1,-0.3 26,-0.2 26,-0.1 25,-0.2 -0.247 72.0 10.7 -48.8 132.0 90.3 36.2 42.9 6 7 A G T 3 S+ 0 0 53 24,-1.0 -1,-0.3 1,-0.2 2,-0.2 0.294 101.0 124.5 79.2 -11.5 92.9 38.8 41.7 7 8 A K < - 0 0 27 -3,-2.1 25,-3.0 19,-0.1 2,-0.5 -0.508 55.4-136.7 -83.9 151.5 92.0 38.4 38.0 8 9 A T E -a 32 0A 3 23,-0.2 84,-2.0 -2,-0.2 85,-1.9 -0.953 18.3-166.7-113.8 117.2 90.9 41.3 35.8 9 10 A L E -ab 33 93A 0 23,-2.8 25,-3.3 -2,-0.5 2,-0.6 -0.863 11.1-160.0-105.2 133.8 88.0 40.7 33.5 10 11 A F E -ab 34 94A 0 83,-2.7 85,-2.7 -2,-0.4 2,-0.5 -0.972 20.6-175.6-109.4 110.9 87.1 43.1 30.6 11 12 A I E > -ab 35 95A 0 23,-2.8 25,-2.2 -2,-0.6 3,-0.7 -0.948 14.6-145.3-119.2 123.1 83.4 42.4 29.8 12 13 A T E 3 S+a 36 0A 1 83,-2.3 85,-0.3 -2,-0.5 25,-0.2 -0.578 80.2 8.5 -85.8 144.6 81.6 44.0 26.9 13 14 A G T > S+ 0 0 23 23,-2.0 3,-0.7 56,-0.3 6,-0.3 0.681 81.1 142.4 68.0 22.7 77.9 44.9 27.2 14 15 A A T < + 0 0 0 -3,-0.7 -1,-0.1 22,-0.3 35,-0.1 0.095 32.8 101.6 -92.8 23.4 77.8 44.1 30.9 15 16 A S T 3 S- 0 0 3 33,-0.1 2,-0.3 21,-0.1 -1,-0.2 0.676 99.6 -10.9 -69.8 -19.5 75.4 46.9 32.0 16 17 A R S <> S+ 0 0 71 -3,-0.7 4,-1.5 32,-0.1 3,-0.5 -0.934 107.1 25.5-161.3 175.1 72.7 44.3 32.1 17 18 A G H > S- 0 0 29 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.075 115.2 -10.4 63.2-145.7 71.7 40.7 31.2 18 19 A I H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 134.5 55.0 -62.6 -39.1 74.1 37.9 30.7 19 20 A G H > S+ 0 0 0 -3,-0.5 4,-2.5 -6,-0.3 -5,-0.3 0.922 109.5 46.6 -59.9 -45.4 77.2 40.2 30.8 20 21 A L H X S+ 0 0 41 -4,-1.5 4,-2.5 -7,-0.3 -1,-0.2 0.919 110.7 53.0 -61.9 -45.3 76.2 41.6 34.2 21 22 A A H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 110.9 46.9 -55.5 -46.6 75.5 38.1 35.6 22 23 A I H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.932 110.9 52.8 -62.4 -46.9 79.0 37.0 34.5 23 24 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.918 110.5 47.4 -49.5 -48.2 80.5 40.1 36.1 24 25 A L H X S+ 0 0 54 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.865 108.7 52.6 -70.4 -36.1 78.8 39.5 39.4 25 26 A R H X S+ 0 0 40 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.924 113.6 45.0 -65.5 -42.2 79.8 35.8 39.6 26 27 A A H ><>S+ 0 0 2 -4,-2.4 5,-1.7 1,-0.2 3,-1.0 0.905 109.9 55.5 -64.2 -42.9 83.4 36.9 39.0 27 28 A A H ><5S+ 0 0 0 -4,-2.6 3,-2.7 1,-0.2 -2,-0.2 0.874 95.6 65.6 -55.3 -41.5 83.0 39.7 41.6 28 29 A R H 3<5S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.823 102.1 50.1 -52.8 -35.2 81.9 37.2 44.2 29 30 A D T <<5S- 0 0 30 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.482 127.5-100.3 -76.3 -9.1 85.4 35.8 44.0 30 31 A G T < 5 + 0 0 17 -3,-2.7 -24,-1.0 -4,-0.2 -3,-0.2 0.673 67.8 161.2 91.1 19.9 87.0 39.2 44.4 31 32 A A < - 0 0 0 -5,-1.7 32,-2.2 -26,-0.2 2,-0.5 -0.347 43.4-119.5 -70.2 151.7 87.7 39.7 40.7 32 33 A N E -ac 8 63A 24 -25,-3.0 -23,-2.8 -28,-0.3 2,-0.4 -0.848 34.2-164.5 -82.6 130.7 88.4 43.1 39.1 33 34 A V E -ac 9 64A 0 30,-2.7 32,-2.6 -2,-0.5 2,-0.7 -0.965 15.4-161.2-130.6 118.7 85.7 43.8 36.5 34 35 A A E -ac 10 65A 0 -25,-3.3 -23,-2.8 -2,-0.4 2,-0.9 -0.866 12.7-154.4 -94.3 111.0 85.9 46.4 33.8 35 36 A I E -ac 11 66A 0 30,-2.9 32,-2.7 -2,-0.7 2,-0.8 -0.841 13.6-173.8 -89.6 103.3 82.3 47.0 32.6 36 37 A A E +ac 12 67A 0 -25,-2.2 -23,-2.0 -2,-0.9 2,-0.3 -0.859 27.4 129.5-108.6 101.5 82.8 48.3 29.0 37 38 A A E - c 0 68A 4 30,-1.9 32,-2.5 -2,-0.8 33,-0.2 -0.966 62.6-120.0-153.7 160.4 79.5 49.3 27.5 38 39 A K S S+ 0 0 104 -2,-0.3 2,-1.0 30,-0.2 3,-0.3 0.812 85.6 90.8 -73.6 -34.8 77.6 52.1 25.8 39 40 A S + 0 0 27 1,-0.2 11,-2.5 30,-0.1 12,-0.2 -0.555 38.0 135.4 -76.7 101.0 74.9 52.7 28.4 40 41 A A + 0 0 23 -2,-1.0 2,-0.6 9,-0.2 11,-0.2 0.681 56.2 67.2-105.4 -35.7 76.3 55.4 30.8 41 42 A V S S- 0 0 130 -3,-0.3 -1,-0.1 7,-0.1 -3,-0.0 -0.824 93.8-110.5 -98.7 123.2 73.3 57.8 31.3 42 43 A A - 0 0 83 -2,-0.6 7,-0.1 -3,-0.1 -1,-0.1 -0.269 37.7-178.7 -59.1 126.4 70.4 56.2 33.2 43 44 A N > - 0 0 88 3,-0.3 3,-1.6 5,-0.2 -1,-0.0 -0.974 24.1-151.7-128.6 117.8 67.4 55.5 31.0 44 45 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.740 96.0 65.4 -52.7 -29.6 64.1 53.9 32.5 45 46 A K T 3 S+ 0 0 84 1,-0.3 0, 0.0 2,-0.0 0, 0.0 0.697 121.1 16.7 -69.0 -24.2 63.3 52.4 29.0 46 47 A L S < S- 0 0 99 -3,-1.6 -3,-0.3 2,-0.0 -1,-0.3 -0.547 91.6-154.3-148.9 76.3 66.4 50.2 29.2 47 48 A P + 0 0 85 0, 0.0 -8,-0.0 0, 0.0 -5,-0.0 -0.099 51.0 65.3 -58.7 149.4 67.6 50.1 32.9 48 49 A G - 0 0 21 -32,-0.1 2,-0.3 -8,-0.0 -5,-0.2 0.251 50.6-168.8 108.1 130.5 71.2 49.4 33.8 49 50 A T > - 0 0 13 -34,-0.2 4,-2.7 -35,-0.1 -9,-0.2 -0.880 42.8 -98.4-136.1 170.0 74.3 51.4 33.2 50 51 A I H > S+ 0 0 2 -11,-2.5 4,-2.0 -2,-0.3 -15,-0.1 0.787 125.1 52.8 -54.4 -30.2 78.0 50.9 33.4 51 52 A H H > S+ 0 0 107 -12,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 108.6 44.9 -81.3 -41.6 77.7 52.7 36.8 52 53 A S H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.906 114.6 51.8 -64.5 -38.5 75.0 50.6 38.3 53 54 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.929 108.4 49.7 -62.7 -47.5 76.9 47.5 37.1 54 55 A A H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.2 10,-0.4 0.903 111.7 49.3 -60.4 -42.0 80.2 48.7 38.7 55 56 A A H X S+ 0 0 40 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.862 109.8 50.8 -60.8 -38.8 78.3 49.3 42.0 56 57 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.903 109.0 52.3 -66.9 -40.4 76.7 45.8 41.8 57 58 A V H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.7 0.936 110.8 47.4 -59.0 -46.1 80.2 44.4 41.2 58 59 A N H ><5S+ 0 0 90 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.936 112.9 48.0 -63.2 -45.4 81.5 46.2 44.3 59 60 A A H 3<5S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.787 107.7 56.4 -66.6 -28.7 78.5 45.0 46.4 60 61 A A H 3<5S- 0 0 41 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.560 129.7 -92.0 -79.8 -11.0 79.0 41.4 45.2 61 62 A G T <<5S+ 0 0 38 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.518 90.8 97.8 115.2 11.4 82.6 41.5 46.5 62 63 A G S - 0 0 21 -2,-0.3 3,-2.7 -33,-0.2 7,-0.3 -0.840 20.9-153.3 -79.9 104.8 80.6 52.0 22.4 71 72 A I T 3 S+ 0 0 11 -2,-0.9 -1,-0.1 1,-0.3 56,-0.1 0.574 88.2 75.5 -72.2 -3.7 82.4 49.0 21.0 72 73 A R T 3 S+ 0 0 79 1,-0.1 2,-0.7 55,-0.0 -1,-0.3 0.683 89.0 72.7 -69.4 -17.3 81.4 50.1 17.5 73 74 A E X> - 0 0 92 -3,-2.7 4,-2.1 1,-0.2 3,-0.6 -0.869 68.1-160.8-107.9 106.8 84.2 52.8 18.0 74 75 A E H 3> S+ 0 0 82 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.842 93.0 55.4 -47.6 -41.9 87.8 51.5 17.9 75 76 A D H 3> S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 107.9 48.4 -65.7 -37.6 89.0 54.6 19.8 76 77 A Q H <> S+ 0 0 57 -3,-0.6 4,-2.6 -6,-0.3 -1,-0.2 0.880 111.9 49.9 -66.7 -39.2 86.6 54.0 22.7 77 78 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -7,-0.3 -2,-0.2 0.938 113.0 46.3 -62.2 -47.8 87.7 50.3 22.9 78 79 A R H X S+ 0 0 132 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.923 113.4 48.7 -61.9 -45.3 91.3 51.3 22.9 79 80 A A H X S+ 0 0 63 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.913 111.5 50.1 -62.2 -43.7 90.7 53.9 25.6 80 81 A A H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.889 110.1 49.7 -63.9 -38.5 88.7 51.5 27.7 81 82 A V H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.941 111.7 48.4 -64.9 -45.2 91.5 48.8 27.5 82 83 A A H X S+ 0 0 59 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.891 110.8 51.4 -61.4 -41.9 94.2 51.4 28.5 83 84 A A H X S+ 0 0 32 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.896 109.9 49.8 -58.8 -44.9 92.0 52.5 31.4 84 85 A T H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.940 113.2 45.3 -60.9 -46.7 91.6 48.9 32.6 85 86 A V H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.927 114.1 49.8 -64.7 -42.9 95.4 48.3 32.4 86 87 A D H < S+ 0 0 142 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.903 117.3 40.6 -61.5 -41.7 96.0 51.6 34.2 87 88 A T H < S+ 0 0 78 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 133.2 18.1 -73.7 -43.5 93.5 50.8 37.0 88 89 A F H < S- 0 0 49 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.573 99.1-114.7-113.9 -13.7 94.3 47.1 37.5 89 90 A G S < S- 0 0 67 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.240 80.6 -5.4 99.5 -11.9 97.7 46.5 36.0 90 91 A G - 0 0 20 -6,-0.4 2,-0.4 49,-0.0 -2,-0.2 -0.984 69.6 -97.6 178.1-176.4 96.7 44.1 33.2 91 92 A I + 0 0 2 -2,-0.3 48,-0.2 44,-0.2 47,-0.2 -0.986 28.4 170.3-131.2 122.6 93.9 42.1 31.6 92 93 A D + 0 0 21 -84,-2.0 51,-1.8 -2,-0.4 2,-0.4 0.716 69.0 25.9 -93.4 -31.8 93.5 38.4 32.3 93 94 A I E -bd 9 143A 3 -85,-1.9 -83,-2.7 49,-0.2 2,-0.5 -0.998 54.8-163.2-145.4 126.8 90.2 37.7 30.7 94 95 A L E -bd 10 144A 0 49,-2.3 51,-3.0 -2,-0.4 2,-0.6 -0.981 9.2-166.8-107.0 126.4 88.1 39.2 27.8 95 96 A V E -bd 11 145A 0 -85,-2.7 -83,-2.3 -2,-0.5 2,-1.3 -0.966 8.5-156.1-111.2 112.9 84.4 38.3 27.7 96 97 A N E + d 0 146A 1 49,-2.1 51,-2.5 -2,-0.6 29,-0.1 -0.741 40.5 140.4 -87.1 91.2 82.8 39.2 24.3 97 98 A N + 0 0 20 -2,-1.3 -1,-0.2 -85,-0.3 -84,-0.2 0.769 25.0 111.3-103.8 -36.5 79.2 39.5 25.5 98 99 A A + 0 0 14 -3,-0.3 2,-0.3 23,-0.1 27,-0.1 -0.134 42.4 160.7 -49.5 131.2 77.8 42.5 23.6 99 100 A S - 0 0 51 -86,-0.1 2,-0.4 25,-0.1 18,-0.1 -0.987 29.6-155.7-154.1 142.6 75.2 41.3 21.0 100 101 A A - 0 0 19 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.969 18.9-159.4-118.7 143.3 72.3 42.8 19.0 101 102 A I + 0 0 99 -2,-0.4 2,-0.2 66,-0.0 -2,-0.0 -0.938 23.2 159.0-129.3 145.9 69.5 40.6 17.7 102 103 A W - 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