==== 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 24-JUN-08 3DK9 . COMPND 2 MOLECULE: GLUTATHIONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.S.BERKHOLZ,R.H.FABER,S.N.SAVVIDES,A.P.KARPLUS . 462 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 37 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 1 1 0 1 0 0 0 2 2 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 3 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 PARALLEL BRIDGES PER LADDER . 3 0 3 1 1 1 2 1 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 . 1 1 1 1 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 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 17 A A 0 0 140 0, 0.0 129,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.0 -13.1 27.2 19.9 2 18 A V E -a 130 0A 65 127,-0.1 2,-0.3 129,-0.0 129,-0.2 -0.989 360.0-145.4-129.7 120.5 -9.6 28.5 20.7 3 19 A A E -a 131 0A 43 127,-1.9 129,-2.7 -2,-0.4 2,-0.4 -0.708 19.4-143.3 -84.9 137.2 -7.9 28.2 24.1 4 20 A S E +a 132 0A 88 -2,-0.3 2,-0.3 127,-0.2 129,-0.2 -0.854 23.1 167.8-110.8 140.1 -5.6 31.2 25.0 5 21 A Y - 0 0 36 127,-2.2 130,-0.2 -2,-0.4 25,-0.2 -0.835 41.3-124.5-131.7 165.3 -2.3 31.1 26.9 6 22 A D S S+ 0 0 34 23,-2.1 129,-0.5 1,-0.3 2,-0.4 0.814 99.8 21.1 -76.1 -31.8 0.6 33.5 27.5 7 23 A Y E -d 30 0B 0 22,-2.0 24,-1.9 127,-0.1 2,-0.5 -0.970 60.4-172.0-146.4 122.3 3.1 31.1 26.1 8 24 A L E -de 31 136B 0 127,-2.1 129,-2.6 -2,-0.4 2,-0.5 -0.982 11.5-164.2-113.8 127.0 2.8 28.1 23.8 9 25 A V E -de 32 137B 0 22,-2.6 24,-3.0 -2,-0.5 2,-0.8 -0.959 8.0-152.6-115.2 120.9 6.0 26.0 23.4 10 26 A I E S+de 33 138B 7 127,-3.2 129,-2.8 -2,-0.5 24,-0.1 -0.853 71.5 29.8 -97.1 106.0 6.1 23.5 20.5 11 27 A G - 0 0 10 22,-2.8 2,-0.2 -2,-0.8 23,-0.2 0.351 64.1-139.7 113.2 120.5 8.4 20.7 21.5 12 28 A G + 0 0 0 4,-0.2 27,-2.8 20,-0.1 28,-0.4 -0.318 66.1 108.9-102.7 51.4 9.2 19.3 25.0 13 29 A G S > S- 0 0 10 126,-0.5 4,-2.5 26,-0.2 5,-0.4 -0.082 88.5 -55.4-105.7-158.9 12.9 18.8 24.6 14 30 A S H > S+ 0 0 28 25,-0.3 4,-1.4 1,-0.2 5,-0.1 0.928 133.2 32.0 -52.5 -54.3 15.9 20.6 26.0 15 31 A G H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.888 119.3 50.4 -74.5 -39.7 15.0 24.1 25.0 16 32 A G H > S+ 0 0 0 123,-0.3 4,-2.5 1,-0.2 5,-0.2 0.934 112.0 46.7 -66.6 -45.8 11.3 24.0 25.1 17 33 A L H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.930 114.7 47.2 -59.2 -48.5 11.1 22.5 28.6 18 34 A A H X S+ 0 0 11 -4,-1.4 4,-2.0 -5,-0.4 -1,-0.2 0.917 113.5 47.4 -61.9 -41.9 13.6 24.9 30.0 19 35 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.930 113.6 47.1 -66.3 -43.9 11.9 27.9 28.5 20 36 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.909 111.1 52.2 -63.5 -45.3 8.4 26.9 29.6 21 37 A R H X S+ 0 0 83 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.916 112.5 44.3 -59.1 -44.4 9.6 26.2 33.2 22 38 A R H X S+ 0 0 60 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.928 111.6 52.9 -68.7 -40.4 11.3 29.6 33.5 23 39 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-0.8 0.918 106.8 53.5 -57.9 -44.1 8.3 31.4 32.0 24 40 A A H ><5S+ 0 0 20 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.877 101.5 59.1 -60.9 -36.3 6.0 29.7 34.5 25 41 A E H 3<5S+ 0 0 146 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.829 104.3 52.3 -58.2 -32.3 8.2 31.0 37.4 26 42 A L T <<5S- 0 0 57 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.321 129.7 -96.4 -87.1 4.3 7.5 34.5 36.1 27 43 A G T < 5 + 0 0 57 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.388 69.6 155.4 99.1 -2.5 3.7 33.9 36.1 28 44 A A < - 0 0 13 -5,-2.1 2,-0.8 -6,-0.2 -1,-0.3 -0.371 47.4-129.0 -61.3 141.8 3.1 32.9 32.5 29 45 A R + 0 0 169 -2,-0.1 -23,-2.1 78,-0.1 -22,-2.0 -0.806 49.1 178.6 -85.0 98.2 0.1 30.7 31.6 30 46 A A E -d 7 0B 5 -2,-0.8 78,-1.9 76,-0.3 2,-0.3 -0.854 27.2-173.8-118.5 154.3 2.1 28.2 29.6 31 47 A A E -df 8 108B 0 -24,-1.9 -22,-2.6 -2,-0.3 2,-0.4 -0.992 12.3-150.4-142.1 145.2 1.6 24.9 27.7 32 48 A V E -df 9 109B 0 76,-2.6 78,-3.0 -2,-0.3 2,-0.5 -0.976 8.5-151.6-114.8 129.3 4.1 22.5 26.1 33 49 A V E +df 10 110B 3 -24,-3.0 -22,-2.8 -2,-0.4 2,-0.4 -0.873 19.9 174.0 -98.5 128.9 3.1 20.5 23.0 34 50 A E E - f 0 111B 18 76,-2.3 78,-1.7 -2,-0.5 4,-0.1 -0.974 21.3-173.1-141.5 123.5 5.0 17.2 22.6 35 51 A S S S+ 0 0 59 -2,-0.4 78,-0.1 76,-0.2 -1,-0.1 0.652 80.1 8.0 -83.4 -23.1 4.3 14.5 20.0 36 52 A H S S- 0 0 145 76,-0.1 2,-0.5 1,-0.1 -2,-0.1 0.105 114.5 -15.8-128.9-121.3 6.7 11.8 21.4 37 53 A K > - 0 0 127 -2,-0.1 3,-1.7 1,-0.0 7,-0.1 -0.813 61.8-113.2-106.7 130.3 8.7 11.6 24.6 38 54 A L T 3 S+ 0 0 5 -2,-0.5 -25,-0.2 1,-0.2 60,-0.1 -0.293 100.4 46.5 -55.2 144.3 9.5 14.5 27.0 39 55 A G T 3> S- 0 0 1 -27,-2.8 4,-1.7 59,-0.1 3,-0.3 0.170 93.6-144.9 98.3 -15.0 13.2 15.3 27.1 40 56 A G H <> - 0 0 18 -3,-1.7 4,-2.0 -28,-0.4 5,-0.4 -0.047 54.7 -22.8 64.0-153.7 13.6 15.3 23.4 41 57 A T H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.904 133.1 55.8 -63.9 -45.4 16.6 14.1 21.6 42 58 A a H > S+ 0 0 14 -3,-0.3 6,-2.0 1,-0.2 4,-0.8 0.941 114.8 35.3 -56.4 -50.8 19.0 14.6 24.5 43 59 A V H < S+ 0 0 5 -4,-1.7 -1,-0.2 4,-0.2 -2,-0.2 0.881 129.4 31.6 -69.6 -40.6 17.2 12.4 27.0 44 60 A N H < S+ 0 0 28 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.880 140.1 0.4 -94.6 -37.5 15.9 9.7 24.7 45 61 A V H < S+ 0 0 41 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 -0.045 122.9 43.2-144.0 30.5 18.4 9.3 21.8 46 62 A G S X S+ 0 0 15 -4,-0.8 4,-2.5 -5,-0.4 5,-0.3 -0.159 104.8 2.5-145.8-131.3 21.2 11.7 22.5 47 63 A a H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -4,-0.2 0.810 123.1 47.4 -40.4 -52.5 23.4 13.1 25.3 48 64 A V H > S+ 0 0 31 -6,-2.0 4,-2.1 2,-0.2 5,-0.2 0.984 117.1 35.8 -70.3 -57.3 22.1 10.9 28.1 49 65 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.875 116.3 57.7 -66.2 -29.7 22.1 7.4 26.6 50 66 A K H X S+ 0 0 20 -4,-2.5 4,-2.4 -8,-0.3 -2,-0.2 0.935 106.5 48.8 -58.3 -47.8 25.3 8.3 24.7 51 67 A K H X S+ 0 0 60 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.881 107.7 53.6 -64.9 -36.5 27.0 9.0 28.0 52 68 A V H X S+ 0 0 30 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.932 112.1 45.6 -59.0 -46.0 25.8 5.8 29.5 53 69 A M H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.880 111.0 52.6 -65.9 -34.7 27.4 4.0 26.6 54 70 A W H X S+ 0 0 15 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.930 107.6 51.3 -64.1 -44.8 30.5 6.0 26.8 55 71 A N H X S+ 0 0 83 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.888 110.6 50.2 -59.2 -37.8 30.9 5.1 30.5 56 72 A T H X S+ 0 0 20 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.928 112.8 45.3 -65.4 -45.1 30.5 1.5 29.5 57 73 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.899 113.1 50.8 -61.3 -48.1 33.2 1.8 26.8 58 74 A V H X S+ 0 0 26 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.920 108.4 52.2 -56.7 -47.8 35.5 3.7 29.2 59 75 A H H X S+ 0 0 117 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.926 110.5 48.3 -53.0 -50.7 35.1 1.0 31.8 60 76 A S H X S+ 0 0 36 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.923 110.2 50.5 -61.6 -45.4 36.1 -1.6 29.3 61 77 A E H >< S+ 0 0 31 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.942 110.4 50.0 -56.9 -47.4 39.1 0.3 28.1 62 78 A F H >< S+ 0 0 73 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.831 101.7 62.4 -62.2 -30.7 40.4 0.8 31.6 63 79 A M H >< S+ 0 0 60 -4,-1.8 3,-2.2 1,-0.3 11,-0.4 0.787 87.3 71.4 -74.8 -12.9 39.9 -3.0 32.3 64 80 A H T << S+ 0 0 122 -3,-1.1 -1,-0.3 -4,-0.9 4,-0.2 0.715 100.1 51.1 -65.7 -15.2 42.5 -3.7 29.6 65 81 A D T <> S+ 0 0 1 -3,-1.8 4,-1.6 -4,-0.3 -1,-0.3 0.345 79.7 101.2 -99.4 -1.0 44.8 -2.2 32.3 66 82 A H T <4>S+ 0 0 42 -3,-2.2 5,-2.1 1,-0.2 3,-0.3 0.907 84.2 44.5 -62.6 -43.6 43.6 -4.5 35.1 67 83 A A T >45S+ 0 0 50 -4,-0.4 3,-1.8 1,-0.2 -1,-0.2 0.879 109.6 56.4 -65.7 -38.9 46.5 -6.9 35.1 68 84 A D T 345S+ 0 0 44 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.832 104.6 54.7 -61.5 -31.9 49.0 -4.0 34.7 69 85 A Y T 3<5S- 0 0 98 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.227 130.5 -91.3 -89.0 14.6 47.5 -2.6 38.0 70 86 A G T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.533 87.5 112.9 98.6 9.6 48.1 -5.7 39.9 71 87 A F S > - 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