==== 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 17-MAR-04 1SPX . COMPND 2 MOLECULE: SHORT-CHAIN REDUCTASE FAMILY MEMBER (5L265); . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR N.SCHORMANN,J.ZHOU,D.MCCOMBS,T.BRAY,J.SYMERSKY,W.-Y.HUANG,C. . 237 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 13.9 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 . 18 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 1 0 0 0 0 0 1 1 2 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 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 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 2 A T > 0 0 123 0, 0.0 3,-1.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 161.4 35.0 38.3 18.4 2 3 A R T 3 + 0 0 50 1,-0.2 28,-0.2 3,-0.0 3,-0.1 -0.329 360.0 36.2 -65.5 150.9 36.4 38.1 21.9 3 4 A F T > S+ 0 0 5 1,-0.3 3,-2.0 26,-0.1 -1,-0.2 0.521 78.5 153.4 82.6 7.1 37.3 34.6 23.2 4 5 A A T < S+ 0 0 47 -3,-1.1 -1,-0.3 1,-0.3 26,-0.2 -0.530 74.7 12.2 -67.5 132.6 38.4 33.6 19.7 5 6 A E T 3 S+ 0 0 152 24,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.677 106.4 123.3 71.6 17.0 40.9 30.8 20.1 6 7 A K < - 0 0 79 -3,-2.0 25,-3.0 23,-0.2 2,-0.5 -0.855 50.8-150.0-109.8 147.2 39.9 30.5 23.7 7 8 A V E -a 31 0A 3 -2,-0.3 80,-2.6 23,-0.2 81,-2.6 -0.969 16.8-173.7-119.5 128.3 38.7 27.4 25.4 8 9 A A E -ab 32 88A 0 23,-1.6 25,-2.9 -2,-0.5 2,-0.5 -0.953 18.8-152.9-128.5 143.5 36.2 27.5 28.3 9 10 A I E -ab 33 89A 1 79,-2.8 81,-2.9 -2,-0.4 2,-0.5 -0.937 14.2-171.4-108.6 128.6 34.7 25.0 30.7 10 11 A I E > -ab 34 90A 0 23,-2.8 25,-0.9 -2,-0.5 3,-0.6 -0.948 6.3-160.7-123.8 108.8 31.3 26.0 32.1 11 12 A T T 3 S+ 0 0 2 79,-2.0 25,-0.1 -2,-0.5 81,-0.1 -0.455 77.0 27.8 -82.9 162.4 30.0 23.8 34.9 12 13 A G T > S+ 0 0 22 23,-0.3 3,-0.6 1,-0.1 6,-0.5 0.834 80.4 140.3 55.9 31.9 26.3 23.8 35.8 13 14 A S T < + 0 0 0 22,-1.2 23,-0.1 -3,-0.6 -1,-0.1 0.210 38.3 91.7 -91.9 16.7 25.7 24.8 32.2 14 15 A S T 3 S+ 0 0 12 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.529 97.6 9.1 -86.9 -3.6 22.6 22.6 31.7 15 16 A N S X> S- 0 0 91 -3,-0.6 4,-2.0 29,-0.0 3,-0.6 -0.985 106.5 -13.7-163.5 171.5 20.4 25.4 32.7 16 17 A G H 3> S+ 0 0 7 169,-1.7 4,-2.7 -2,-0.3 5,-0.3 0.095 121.5 8.6 33.3-122.8 19.9 29.1 33.6 17 18 A I H 3> S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.927 133.4 48.7 -50.0 -56.4 23.1 31.1 34.2 18 19 A G H <> S+ 0 0 0 -3,-0.6 4,-2.1 -6,-0.5 -5,-0.3 0.890 113.1 48.3 -54.8 -43.0 25.4 28.3 33.1 19 20 A R H X S+ 0 0 28 -4,-2.0 4,-2.2 -7,-0.3 -1,-0.2 0.933 112.1 47.0 -65.1 -47.4 23.4 27.7 29.9 20 21 A A H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.866 111.7 52.9 -62.6 -36.2 23.2 31.4 28.9 21 22 A T H X S+ 0 0 1 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.917 108.2 49.6 -65.5 -43.7 27.0 31.7 29.6 22 23 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.908 112.4 47.7 -61.7 -43.8 27.8 28.8 27.3 23 24 A V H X S+ 0 0 22 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.922 113.7 47.9 -63.9 -44.3 25.7 30.2 24.5 24 25 A L H X S+ 0 0 15 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.957 113.9 44.9 -61.9 -53.1 27.3 33.7 24.9 25 26 A F H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 -1,-0.2 0.896 114.1 50.1 -58.9 -41.9 30.9 32.4 25.0 26 27 A A H ><5S+ 0 0 3 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 0.934 109.5 50.3 -62.3 -46.4 30.2 30.1 22.0 27 28 A R H 3<5S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.782 105.7 59.6 -62.2 -25.2 28.7 32.9 20.1 28 29 A E T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.386 127.4 -98.4 -84.4 2.2 31.8 34.9 21.0 29 30 A G T < 5S+ 0 0 23 -3,-2.1 -24,-0.8 1,-0.3 -23,-0.2 0.421 76.6 138.0 98.9 -1.5 34.0 32.4 19.3 30 31 A A < - 0 0 0 -5,-2.3 2,-0.8 -28,-0.2 -1,-0.3 -0.412 56.4-122.4 -79.9 161.5 35.2 30.3 22.2 31 32 A K E -a 7 0A 65 -25,-3.0 -23,-1.6 -28,-0.2 2,-0.3 -0.838 41.6-158.2-106.6 111.9 35.4 26.5 22.3 32 33 A V E -ac 8 59A 0 26,-1.9 28,-2.6 -2,-0.8 2,-0.6 -0.624 24.6-158.3-112.1 141.4 33.2 25.4 25.1 33 34 A T E -ac 9 60A 0 -25,-2.9 -23,-2.8 -2,-0.3 2,-0.3 -0.950 18.8-171.3-109.3 116.4 32.8 22.4 27.4 34 35 A I E +ac 10 61A 0 26,-2.1 28,-2.3 -2,-0.6 2,-0.3 -0.793 9.8 178.4-104.4 151.9 29.4 22.2 28.9 35 36 A T E + c 0 62A 3 -25,-0.9 -22,-1.2 -2,-0.3 -21,-0.4 -0.998 14.1 132.9-156.1 154.9 28.6 19.7 31.6 36 37 A G E - c 0 63A 13 26,-1.6 28,-1.8 -2,-0.3 3,-0.0 -0.953 54.1-104.9 177.8 173.7 26.0 18.4 34.0 37 38 A R S S+ 0 0 146 -2,-0.3 2,-1.0 26,-0.2 28,-0.1 0.722 100.2 74.8 -90.1 -24.5 24.3 15.3 35.3 38 39 A H > - 0 0 118 1,-0.2 4,-2.4 26,-0.1 3,-0.4 -0.770 63.2-168.8 -95.0 97.8 21.1 15.6 33.3 39 40 A A H > S+ 0 0 53 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.834 84.3 51.9 -52.0 -42.0 21.9 14.7 29.7 40 41 A E H > S+ 0 0 176 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.881 110.9 46.5 -66.9 -39.8 18.7 15.9 28.3 41 42 A R H > S+ 0 0 156 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.902 113.8 50.1 -67.8 -40.1 19.0 19.4 29.9 42 43 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 3,-0.4 0.904 107.1 52.4 -65.0 -43.3 22.6 19.6 28.7 43 44 A E H X S+ 0 0 72 -4,-2.6 4,-3.0 1,-0.3 -1,-0.2 0.875 103.5 59.5 -61.5 -34.6 21.7 18.6 25.1 44 45 A E H X S+ 0 0 89 -4,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.874 104.7 49.7 -60.7 -36.6 19.2 21.4 25.2 45 46 A T H X S+ 0 0 0 -4,-1.2 4,-1.7 -3,-0.4 -2,-0.2 0.944 109.7 50.7 -65.9 -47.4 22.1 23.8 26.0 46 47 A R H X S+ 0 0 49 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.920 107.8 53.5 -55.5 -45.8 24.0 22.3 23.0 47 48 A Q H X S+ 0 0 90 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.865 106.1 52.0 -59.8 -37.6 21.0 22.8 20.8 48 49 A Q H X S+ 0 0 72 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.852 110.2 50.1 -68.0 -31.5 20.8 26.5 21.7 49 50 A I H <>S+ 0 0 0 -4,-1.7 5,-1.7 -3,-0.2 3,-0.4 0.947 113.1 44.6 -69.5 -47.7 24.5 26.9 20.8 50 51 A L H ><5S+ 0 0 47 -4,-2.7 3,-2.4 1,-0.2 -2,-0.2 0.918 110.0 55.7 -61.0 -44.5 24.0 25.2 17.4 51 52 A A H 3<5S+ 0 0 89 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.793 98.3 62.8 -58.9 -29.4 20.8 27.2 16.8 52 53 A A T 3<5S- 0 0 49 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.495 126.7-103.3 -74.6 -2.1 22.9 30.3 17.4 53 54 A G T < 5S+ 0 0 70 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.576 72.5 147.1 91.8 11.5 24.9 29.2 14.3 54 55 A V < - 0 0 19 -5,-1.7 -1,-0.3 1,-0.1 -27,-0.1 -0.613 53.9-106.7 -84.0 139.5 27.9 27.8 16.2 55 56 A S > - 0 0 62 -2,-0.3 3,-1.9 1,-0.1 -1,-0.1 -0.364 19.2-130.2 -63.9 139.0 29.8 24.8 14.7 56 57 A E G > S+ 0 0 103 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.690 105.2 71.6 -62.6 -18.6 29.2 21.6 16.6 57 58 A Q G 3 S+ 0 0 133 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.715 90.1 59.6 -70.1 -20.7 32.9 21.2 16.6 58 59 A N G < S+ 0 0 35 -3,-1.9 -26,-1.9 -27,-0.1 2,-0.4 0.307 94.7 77.8 -91.3 8.8 33.2 24.0 19.2 59 60 A V E < -c 32 0A 10 -3,-1.2 2,-0.5 -28,-0.2 -26,-0.2 -0.977 53.5-173.3-126.0 128.6 31.1 22.2 21.8 60 61 A N E -c 33 0A 2 -28,-2.6 -26,-2.1 -2,-0.4 2,-0.6 -0.964 12.8-159.2-119.4 110.8 32.1 19.4 24.1 61 62 A S E -c 34 0A 43 -2,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.822 9.3-175.4 -95.6 121.6 29.2 17.9 26.1 62 63 A V E -c 35 0A 5 -28,-2.3 -26,-1.6 -2,-0.6 2,-0.8 -0.939 12.3-160.4-121.6 112.3 30.2 16.0 29.3 63 64 A V E +c 36 0A 81 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.810 43.5 124.6 -89.5 113.0 27.5 14.2 31.3 64 65 A A - 0 0 17 -28,-1.8 2,-0.9 -2,-0.8 -26,-0.1 -0.994 67.0-102.4-165.0 162.5 29.1 13.8 34.7 65 66 A D > - 0 0 42 -2,-0.3 3,-2.1 1,-0.1 6,-0.4 -0.828 27.6-160.2 -92.8 105.6 28.9 14.3 38.5 66 67 A V T 3 S+ 0 0 17 -2,-0.9 -1,-0.1 1,-0.3 49,-0.1 0.599 86.6 67.8 -64.1 -10.1 31.2 17.2 39.2 67 68 A T T 3 S+ 0 0 33 47,-0.1 2,-0.3 4,-0.1 -1,-0.3 0.616 90.0 79.1 -84.9 -11.2 31.4 16.1 42.8 68 69 A T S <> S- 0 0 55 -3,-2.1 4,-2.5 1,-0.1 5,-0.2 -0.703 82.3-127.5-100.6 151.3 33.2 12.9 41.9 69 70 A D H > S+ 0 0 103 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.905 112.3 48.6 -57.7 -43.2 36.9 12.5 41.1 70 71 A A H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.887 109.4 50.8 -66.3 -41.7 36.0 10.7 37.9 71 72 A G H > S+ 0 0 5 -6,-0.4 4,-2.8 2,-0.2 -5,-0.2 0.956 111.8 48.5 -60.5 -49.0 33.5 13.3 36.8 72 73 A Q H X S+ 0 0 7 -4,-2.5 4,-2.3 -7,-0.4 5,-0.2 0.936 112.9 47.0 -55.1 -51.6 36.0 16.1 37.3 73 74 A D H X S+ 0 0 66 -4,-2.5 4,-3.7 1,-0.2 5,-0.2 0.884 112.3 50.6 -60.7 -39.7 38.7 14.2 35.4 74 75 A E H X S+ 0 0 93 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.927 108.5 51.7 -64.0 -46.1 36.4 13.5 32.5 75 76 A I H X S+ 0 0 0 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.933 119.7 36.1 -55.0 -47.5 35.3 17.1 32.3 76 77 A L H X S+ 0 0 13 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.902 115.6 52.1 -75.0 -44.5 38.9 18.2 32.1 77 78 A S H X S+ 0 0 61 -4,-3.7 4,-2.1 1,-0.2 -3,-0.2 0.909 110.4 48.3 -62.1 -42.4 40.3 15.3 30.1 78 79 A T H X S+ 0 0 31 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.830 110.9 51.0 -68.7 -31.2 37.7 15.7 27.3 79 80 A T H X S+ 0 0 0 -4,-1.0 4,-2.5 -5,-0.3 6,-0.4 0.923 113.7 43.3 -72.1 -42.0 38.3 19.4 27.0 80 81 A L H X S+ 0 0 43 -4,-2.2 4,-1.4 3,-0.2 -2,-0.2 0.847 115.3 51.0 -70.5 -33.8 42.0 19.1 26.7 81 82 A G H < S+ 0 0 66 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.963 119.7 32.7 -67.8 -51.9 41.7 16.2 24.3 82 83 A K H < S+ 0 0 134 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.848 135.6 25.0 -74.0 -36.8 39.2 17.9 21.9 83 84 A F H < S- 0 0 32 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.567 91.0-135.5-107.7 -12.3 40.5 21.5 22.3 84 85 A G S < S+ 0 0 60 -4,-1.4 2,-0.3 -5,-0.4 -4,-0.2 0.268 74.7 28.6 78.5 -12.4 44.1 21.0 23.3 85 86 A K - 0 0 74 -6,-0.4 2,-0.4 41,-0.0 -2,-0.1 -0.958 67.6-124.9-163.5 177.2 44.1 23.6 26.1 86 87 A L + 0 0 0 36,-0.4 40,-0.4 -2,-0.3 42,-0.2 -0.979 26.3 161.0-141.4 124.7 42.1 25.5 28.7 87 88 A D + 0 0 5 -80,-2.6 42,-2.7 -2,-0.4 2,-0.4 0.743 66.5 34.2-108.9 -37.4 41.8 29.3 29.0 88 89 A I E -bd 8 129A 2 -81,-2.6 -79,-2.8 40,-0.2 2,-0.5 -0.975 50.9-172.8-132.5 136.4 38.6 29.8 31.1 89 90 A L E -bd 9 130A 0 40,-2.3 42,-2.6 -2,-0.4 2,-0.7 -0.981 5.2-168.8-126.8 117.7 36.9 28.1 33.9 90 91 A V E -bd 10 131A 0 -81,-2.9 -79,-2.0 -2,-0.5 2,-1.4 -0.919 12.8-153.2-106.4 105.9 33.5 29.3 35.1 91 92 A N E + d 0 132A 5 40,-1.8 42,-2.6 -2,-0.7 -81,-0.1 -0.667 35.0 150.9 -83.6 92.3 32.7 27.5 38.3 92 93 A N + 0 0 22 -2,-1.4 2,-0.4 40,-0.2 -74,-0.2 -0.270 16.8 141.1-116.5 43.8 28.9 27.5 38.3 93 94 A A 0 0 7 1,-0.2 19,-0.1 15,-0.1 40,-0.0 -0.729 360.0 360.0 -89.4 134.9 28.2 24.4 40.3 94 95 A G 0 0 61 -2,-0.4 -1,-0.2 15,-0.0 14,-0.1 0.193 360.0 360.0 112.1 360.0 25.2 24.6 42.7 95 ! 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 96 109 A Q 0 0 157 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.7 18.0 21.8 58.0 97 110 A S > - 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