==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JUL-13 4LVU . COMPND 2 MOLECULE: OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTA . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 504 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 39 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 4 2 4 0 0 2 0 2 0 0 0 2 0 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 . 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 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 18 A D > 0 0 144 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.2 70.0 122.4 6.5 2 19 A E T 3 + 0 0 92 1,-0.3 4,-0.1 260,-0.1 0, 0.0 0.504 360.0 70.9 -68.3 -7.6 72.6 120.4 8.4 3 20 A R T 3 S+ 0 0 118 259,-0.1 260,-1.0 2,-0.1 -1,-0.3 0.744 87.1 80.3 -79.1 -19.6 75.0 123.3 8.4 4 21 A Y S < S- 0 0 44 -3,-1.8 256,-0.1 258,-0.2 0, 0.0 -0.376 88.2 -82.4 -95.9 164.1 73.0 125.4 10.9 5 22 A A - 0 0 4 256,-0.1 2,-0.4 -2,-0.1 256,-0.2 -0.172 25.3-146.5 -65.3 151.9 72.7 125.2 14.6 6 23 A R B -A 260 0A 136 254,-1.8 254,-1.8 252,-0.1 -1,-0.1 -0.971 11.0-154.8-112.9 131.7 70.6 122.9 16.7 7 24 A Y > - 0 0 3 -2,-0.4 3,-2.0 252,-0.2 4,-0.5 -0.885 5.3-166.9-110.3 100.2 69.3 124.4 20.0 8 25 A P G > S+ 0 0 61 0, 0.0 3,-1.4 0, 0.0 250,-0.2 0.829 84.8 64.4 -59.1 -30.4 68.7 121.7 22.6 9 26 A S G 3 S+ 0 0 17 248,-1.1 249,-0.1 1,-0.3 248,-0.1 0.624 93.9 61.8 -69.8 -14.6 66.7 124.1 24.8 10 27 A L G X S+ 0 0 0 -3,-2.0 3,-1.9 25,-0.1 2,-0.3 0.649 73.8 110.9 -83.8 -14.8 64.0 124.5 22.1 11 28 A A T < S- 0 0 67 -3,-1.4 26,-0.3 -4,-0.5 25,-0.2 -0.423 98.1 -2.6 -64.4 122.1 63.0 120.9 22.2 12 29 A G T 3 S+ 0 0 38 24,-2.8 -1,-0.3 -2,-0.3 2,-0.2 0.411 97.4 144.8 78.1 -2.6 59.5 120.7 23.7 13 30 A R < - 0 0 55 -3,-1.9 25,-2.4 1,-0.1 2,-0.6 -0.499 53.6-122.4 -74.2 133.9 59.5 124.5 24.3 14 31 A A E -b 38 0B 9 75,-0.3 77,-2.1 -2,-0.2 78,-1.4 -0.678 36.6-179.9 -79.6 118.4 56.1 126.2 23.8 15 32 A V E -bc 39 92B 0 23,-2.2 25,-2.6 -2,-0.6 2,-0.5 -0.983 13.5-161.6-127.2 126.1 56.5 128.9 21.2 16 33 A L E -bc 40 93B 1 76,-2.7 78,-2.8 -2,-0.4 2,-0.4 -0.928 7.9-173.0-112.0 127.8 53.7 131.2 20.0 17 34 A I E > -bc 41 94B 0 23,-2.2 25,-1.8 -2,-0.5 3,-0.5 -0.980 11.7-148.0-123.0 128.2 54.0 133.1 16.7 18 35 A T E 3 S+b 42 0B 0 76,-2.5 78,-0.2 -2,-0.4 25,-0.1 -0.653 85.1 20.0 -93.9 153.0 51.6 135.7 15.4 19 36 A G T > S+ 0 0 10 23,-0.7 3,-0.6 -2,-0.3 6,-0.3 0.914 84.3 155.6 57.4 40.3 50.9 136.1 11.7 20 37 A G T < + 0 0 0 22,-2.2 9,-0.3 -3,-0.5 23,-0.2 0.570 45.1 72.8 -76.9 -12.8 52.3 132.6 11.4 21 38 A A T 3 S+ 0 0 10 21,-0.3 2,-0.3 4,-0.1 -1,-0.2 0.683 101.0 20.1 -85.6 -20.9 50.8 131.4 8.2 22 39 A T S X> S+ 0 0 83 -3,-0.6 3,-0.9 30,-0.0 4,-0.9 -0.878 102.0 8.2-138.2 170.6 52.7 133.4 5.6 23 40 A G H >> S- 0 0 41 -2,-0.3 4,-1.3 1,-0.3 3,-0.6 -0.116 123.8 -18.5 62.4-148.3 55.9 135.3 5.0 24 41 A I H 3> S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.826 133.3 69.9 -65.1 -26.0 58.6 135.3 7.6 25 42 A G H <> S+ 0 0 0 -3,-0.9 4,-2.4 -6,-0.3 -1,-0.2 0.922 98.8 47.4 -54.0 -45.5 55.9 134.1 10.0 26 43 A A H S+ 0 0 1 -4,-2.6 5,-2.3 -5,-0.2 3,-0.4 0.909 113.1 51.3 -62.4 -41.8 60.9 126.3 15.5 33 50 A A H ><5S+ 0 0 1 -4,-2.4 3,-1.5 -5,-0.3 27,-0.6 0.908 108.6 51.5 -61.5 -42.0 59.0 123.1 14.5 34 51 A R H 3<5S+ 0 0 95 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.729 104.0 57.9 -70.9 -18.8 62.2 121.6 13.0 35 52 A Q T 3<5S- 0 0 17 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.415 124.3-105.1 -82.9 -2.0 64.0 122.4 16.3 36 53 A G T < 5 + 0 0 10 -3,-1.5 -24,-2.8 1,-0.2 -3,-0.2 0.566 69.4 150.0 89.8 9.0 61.5 120.2 18.1 37 54 A A < - 0 0 0 -5,-2.3 2,-1.0 -26,-0.3 24,-0.4 -0.307 55.7-116.0 -69.5 160.9 59.5 123.1 19.7 38 55 A R E -b 14 0B 104 -25,-2.4 -23,-2.2 -28,-0.2 2,-0.3 -0.844 47.2-165.2 -95.3 95.6 55.8 122.8 20.5 39 56 A V E +b 15 0B 1 -2,-1.0 25,-2.2 22,-0.3 2,-0.3 -0.675 20.0 175.3 -93.2 138.9 54.7 125.6 18.1 40 57 A A E -bd 16 64B 0 -25,-2.6 -23,-2.2 -2,-0.3 2,-0.3 -0.972 8.6-177.9-129.4 152.0 51.4 127.4 17.9 41 58 A F E -bd 17 65B 0 23,-1.9 25,-1.7 -2,-0.3 2,-0.3 -0.975 18.2-145.0-143.4 159.8 50.4 130.3 15.7 42 59 A V E +bd 18 66B 1 -25,-1.8 -22,-2.2 -2,-0.3 -23,-0.7 -0.926 25.8 160.8-118.8 150.2 47.6 132.6 14.9 43 60 A D E - d 0 67B 16 23,-1.2 25,-1.7 -2,-0.3 -2,-0.0 -0.962 44.8-125.9-162.3 153.6 46.8 134.0 11.5 44 61 A L S S+ 0 0 127 -2,-0.3 2,-0.9 23,-0.2 23,-0.1 0.786 95.2 73.9 -66.8 -32.4 43.9 135.6 9.7 45 62 A D > - 0 0 58 1,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.757 56.7-176.1-101.0 99.6 43.9 133.0 7.0 46 63 A E H > S+ 0 0 115 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.861 84.8 52.6 -61.5 -39.1 42.6 129.7 8.1 47 64 A Q H > S+ 0 0 147 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 111.0 45.2 -64.3 -47.0 43.4 128.0 4.8 48 65 A A H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.891 113.7 52.0 -63.8 -37.2 47.0 129.1 4.8 49 66 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.933 108.6 49.8 -64.3 -45.6 47.3 128.1 8.5 50 67 A R H X S+ 0 0 47 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.905 110.9 49.8 -59.7 -43.0 45.9 124.6 7.7 51 68 A A H X S+ 0 0 60 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.895 110.2 50.3 -64.5 -41.6 48.3 124.1 4.8 52 69 A L H X S+ 0 0 4 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.937 111.7 46.2 -64.3 -48.1 51.3 125.1 7.0 53 70 A A H >< S+ 0 0 3 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.926 110.8 55.0 -59.9 -41.8 50.4 122.8 9.8 54 71 A A H >< S+ 0 0 67 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.875 106.5 48.9 -60.8 -42.0 49.8 120.0 7.3 55 72 A R H 3< S+ 0 0 129 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.551 114.2 47.7 -79.4 -3.2 53.2 120.3 5.7 56 73 A L T X< S+ 0 0 0 -3,-1.2 3,-1.9 -4,-0.6 -1,-0.2 0.185 75.5 109.2-114.4 16.1 54.8 120.3 9.2 57 74 A A T < S+ 0 0 49 -3,-1.2 5,-0.2 1,-0.3 -2,-0.1 0.672 71.8 63.4 -68.7 -15.6 52.9 117.3 10.5 58 75 A D T 3 S+ 0 0 123 -3,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 0.366 82.5 103.9 -89.1 3.6 56.1 115.2 10.4 59 76 A A S < S- 0 0 15 -3,-1.9 3,-0.2 1,-0.1 -25,-0.1 -0.279 95.4 -97.7 -72.3 168.6 57.8 117.4 13.0 60 77 A A S S+ 0 0 78 -27,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.902 118.6 21.7 -54.2 -40.7 58.2 116.3 16.6 61 78 A H S S- 0 0 50 -24,-0.4 -22,-0.3 -28,-0.3 -1,-0.3 -0.993 86.6-129.1-127.7 122.5 55.1 118.3 17.3 62 79 A E - 0 0 105 -2,-0.4 -5,-0.1 -5,-0.2 -9,-0.1 -0.530 39.5-108.5 -62.6 128.8 52.6 119.3 14.6 63 80 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.338 33.3-149.7 -59.5 142.2 52.1 123.0 14.8 64 81 A V E -d 40 0B 40 -25,-2.2 -23,-1.9 -3,-0.1 2,-0.3 -0.770 17.6-177.0-109.0 161.2 48.7 124.0 16.2 65 82 A F E -d 41 0B 47 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.986 26.6-148.0-153.3 163.1 46.8 127.2 15.3 66 83 A V E -d 42 0B 31 -25,-1.7 -23,-1.2 -2,-0.3 2,-0.6 -0.995 23.0-140.3-130.9 125.5 43.8 129.4 15.8 67 84 A A E +d 43 0B 30 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.776 46.1 132.2 -85.0 124.5 42.6 131.5 12.9 68 85 A C - 0 0 23 -25,-1.7 2,-0.7 -2,-0.6 -2,-0.1 -0.966 59.7-100.6-163.6 171.6 41.5 134.9 14.1 69 86 A D > - 0 0 72 -2,-0.3 3,-2.1 1,-0.1 7,-0.3 -0.897 24.3-161.4-103.1 109.5 41.7 138.6 13.5 70 87 A L T 3 S+ 0 0 15 -2,-0.7 -1,-0.1 1,-0.3 6,-0.0 0.494 85.1 76.3 -84.5 8.2 44.3 140.2 15.9 71 88 A T T 3 S+ 0 0 45 1,-0.1 2,-0.8 51,-0.1 -1,-0.3 0.645 87.8 72.8 -74.3 -13.9 42.9 143.7 15.4 72 89 A D S <> S- 0 0 80 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 -0.865 70.9-168.7-101.2 101.5 40.3 142.2 17.7 73 90 A I H > S+ 0 0 22 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.869 85.9 56.2 -65.0 -34.8 42.0 142.0 21.1 74 91 A A H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 109.9 46.4 -58.5 -43.4 39.2 139.8 22.6 75 92 A A H > S+ 0 0 31 -6,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.907 112.0 50.6 -67.1 -42.1 39.7 137.3 19.8 76 93 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 -7,-0.3 -2,-0.2 0.939 111.5 47.7 -59.4 -46.5 43.5 137.4 20.3 77 94 A R H X S+ 0 0 98 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.920 112.3 49.3 -63.0 -42.6 43.1 136.8 24.0 78 95 A G H X S+ 0 0 34 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.899 110.9 50.7 -63.2 -39.8 40.7 133.9 23.4 79 96 A A H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.911 109.9 48.9 -62.7 -45.0 43.1 132.4 20.9 80 97 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.909 110.8 51.2 -64.2 -39.5 46.0 132.6 23.2 81 98 A E H X S+ 0 0 120 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.924 111.5 47.2 -62.4 -42.9 43.9 131.0 26.0 82 99 A A H X S+ 0 0 36 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.897 113.2 49.5 -64.7 -40.6 42.9 128.1 23.7 83 100 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 3,-0.4 0.915 106.6 54.1 -63.9 -43.5 46.5 127.7 22.6 84 101 A R H X S+ 0 0 63 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.873 104.9 55.4 -60.7 -39.0 47.8 127.6 26.2 85 102 A A H < S+ 0 0 90 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.882 116.1 38.2 -55.5 -38.0 45.3 124.8 26.8 86 103 A R H < S+ 0 0 125 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.761 131.7 22.1 -88.5 -31.3 46.9 122.8 23.9 87 104 A I H < S- 0 0 17 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.531 101.1-125.0-114.5 -5.6 50.6 123.6 24.3 88 105 A G < - 0 0 24 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.1 -0.365 63.9 -7.7 86.7-170.6 51.0 124.6 28.0 89 106 A P S S- 0 0 39 0, 0.0 2,-0.4 0, 0.0 -75,-0.3 -0.300 79.3-112.2 -61.5 140.3 52.5 127.9 29.3 90 107 A I + 0 0 0 1,-0.1 -75,-0.2 -77,-0.1 48,-0.2 -0.595 34.7 176.3 -81.3 123.9 54.1 130.0 26.6 91 108 A A S S+ 0 0 14 -77,-2.1 51,-1.8 -2,-0.4 2,-0.4 0.648 70.6 27.5 -96.8 -25.1 57.9 130.3 26.9 92 109 A A E -ce 15 142B 1 -78,-1.4 -76,-2.7 49,-0.2 2,-0.4 -0.995 62.0-167.6-144.2 135.7 58.6 132.3 23.7 93 110 A L E -ce 16 143B 0 49,-2.3 51,-3.1 -2,-0.4 2,-0.6 -0.996 5.7-163.2-124.2 127.4 56.4 134.7 21.8 94 111 A V E -ce 17 144B 0 -78,-2.8 -76,-2.5 -2,-0.4 2,-1.4 -0.943 8.4-158.8-112.1 106.5 57.2 136.0 18.3 95 112 A N E + e 0 145B 0 49,-3.0 51,-2.6 -2,-0.6 29,-0.1 -0.687 39.8 139.6 -89.5 86.2 55.1 139.1 17.7 96 113 A N + 0 0 16 -2,-1.4 -1,-0.2 -78,-0.2 -77,-0.2 0.695 16.0 116.7-107.2 -30.9 55.3 139.0 13.9 97 114 A A + 0 0 10 -3,-0.2 2,-0.3 -55,-0.1 -78,-0.1 -0.207 39.8 148.0 -56.6 139.1 51.9 139.9 12.4 98 115 A A - 0 0 50 -79,-0.1 2,-0.3 23,-0.0 22,-0.2 -0.956 38.2-148.9-160.5 166.0 52.2 143.1 10.3 99 116 A N - 0 0 75 -2,-0.3 20,-0.1 17,-0.1 21,-0.1 -0.812 8.4-178.4-150.5 110.2 50.8 144.9 7.3 100 117 A D + 0 0 72 -2,-0.3 61,-0.1 61,-0.0 62,-0.0 0.010 23.7 159.0 -96.6 26.5 53.0 147.3 5.3 101 118 A V - 0 0 90 1,-0.1 60,-0.2 60,-0.0 -2,-0.1 -0.220 45.1-110.3 -54.7 136.1 50.4 148.4 2.8 102 119 A R + 0 0 146 56,-0.0 2,-0.3 59,-0.0 56,-0.2 -0.340 39.1 178.2 -71.6 151.1 51.4 151.7 1.2 103 120 A H - 0 0 38 54,-2.4 2,-0.2 -2,-0.0 54,-0.1 -0.959 26.5-125.7-156.0 132.3 49.5 154.9 1.9 104 121 A A >> - 0 0 50 -2,-0.3 3,-1.3 54,-0.1 4,-0.7 -0.549 26.6-121.2 -73.8 144.8 49.9 158.5 0.9 105 122 A I G >4 S+ 0 0 141 1,-0.3 3,-1.1 -2,-0.2 -1,-0.1 0.907 113.3 50.6 -50.9 -49.1 50.1 161.1 3.7 106 123 A A G 34 S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.704 106.2 56.7 -67.0 -17.8 47.1 163.0 2.3 107 124 A D G <4 S+ 0 0 117 -3,-1.3 -1,-0.2 2,-0.1 2,-0.2 0.555 77.5 111.7 -92.6 -9.6 45.0 159.8 2.2 108 125 A V << - 0 0 42 -3,-1.1 3,-0.0 -4,-0.7 -5,-0.0 -0.479 46.5-172.5 -69.0 131.0 45.3 158.8 5.8 109 126 A T > - 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