==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUN-09 3HSK . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR B.T.ARACHEA,A.PAVLOVSKY,X.LIU,R.E.VIOLA . 716 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 42 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 11 1 0 1 1 0 3 1 3 4 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 3 5 2 1 0 1 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 . 5 2 0 0 0 4 0 2 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 . 3 1 0 0 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 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 0 120 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.6 35.0 -5.4 1.9 2 3 A V - 0 0 73 26,-0.1 2,-0.3 2,-0.0 26,-0.2 -0.808 360.0-159.3-101.9 121.3 31.6 -6.7 3.0 3 4 A K E -a 28 0A 41 24,-2.5 26,-2.1 -2,-0.5 2,-0.5 -0.724 24.7-116.0 -93.3 147.3 31.1 -8.6 6.4 4 5 A K E -a 29 0A 67 -2,-0.3 74,-1.7 72,-0.2 75,-1.6 -0.726 32.6-157.6 -88.5 127.2 28.0 -10.8 6.9 5 6 A A E -ab 30 79A 0 24,-3.6 26,-3.0 -2,-0.5 27,-1.3 -0.882 10.2-166.6-115.0 133.9 25.7 -9.7 9.6 6 7 A G E -ab 32 80A 0 73,-2.6 75,-2.7 -2,-0.4 2,-0.4 -0.787 7.4-153.6-106.9 156.6 23.1 -11.5 11.7 7 8 A V E > -ab 33 81A 0 25,-1.9 27,-3.1 -2,-0.3 3,-0.5 -0.964 3.5-160.7-134.4 117.0 20.3 -10.1 13.9 8 9 A L E 3 S+ab 34 82A 0 73,-3.2 75,-2.9 -2,-0.4 27,-0.2 -0.769 83.6 20.2 -94.1 142.1 18.9 -11.8 16.9 9 10 A G T > S+ 0 0 8 25,-1.1 3,-0.8 -2,-0.3 6,-0.5 0.898 81.7 164.9 64.3 43.0 15.5 -10.7 18.2 10 11 A A T < + 0 0 0 24,-2.9 9,-0.2 -3,-0.5 25,-0.2 0.731 62.5 56.4 -67.2 -27.7 15.0 -9.2 14.7 11 12 A T T 3 S+ 0 0 32 23,-0.3 -1,-0.2 4,-0.1 38,-0.2 0.725 90.5 92.5 -80.2 -22.9 11.3 -8.6 14.9 12 13 A G S <> S- 0 0 30 -3,-0.8 4,-2.5 36,-0.1 5,-0.2 -0.085 94.2 -95.3 -68.5 170.9 11.5 -6.5 18.1 13 14 A S H > S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.904 125.5 39.2 -53.8 -54.2 11.8 -2.7 18.2 14 15 A V H > S+ 0 0 27 69,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 114.5 56.3 -64.7 -41.5 15.6 -2.5 18.5 15 16 A G H > S+ 0 0 0 -6,-0.5 4,-2.0 68,-0.3 -2,-0.2 0.855 104.0 53.6 -56.4 -40.2 15.9 -5.4 16.0 16 17 A Q H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.940 108.5 48.4 -59.7 -50.0 13.9 -3.4 13.5 17 18 A R H X S+ 0 0 44 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.820 108.0 56.0 -63.6 -34.9 16.2 -0.4 13.8 18 19 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.959 111.8 41.4 -56.5 -54.6 19.3 -2.7 13.4 19 20 A I H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.881 112.3 55.7 -64.3 -40.1 18.0 -4.1 10.1 20 21 A L H < S+ 0 0 22 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.922 114.2 40.1 -57.1 -46.9 16.8 -0.6 8.9 21 22 A L H >X S+ 0 0 63 -4,-2.2 3,-2.2 1,-0.2 4,-0.5 0.968 113.0 51.1 -66.5 -56.6 20.4 0.8 9.5 22 23 A L H 3< S+ 0 0 4 -4,-2.8 3,-0.4 1,-0.3 6,-0.2 0.693 99.4 70.1 -56.3 -20.4 22.4 -2.2 8.1 23 24 A S T 3< S+ 0 0 33 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.773 104.1 39.3 -68.1 -28.7 20.1 -2.0 5.0 24 25 A K T <4 S+ 0 0 118 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.430 92.8 109.8 -99.3 -4.3 21.9 1.3 4.0 25 26 A H < - 0 0 21 -4,-0.5 3,-0.4 -3,-0.4 -3,-0.0 -0.643 52.5-161.2 -84.4 125.0 25.4 0.2 5.0 26 27 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.628 90.6 52.3 -73.4 -16.6 27.8 -0.5 2.2 27 28 A E S S+ 0 0 51 -25,-0.1 -24,-2.5 -23,-0.0 2,-0.3 0.603 103.2 62.6 -99.0 -16.5 30.1 -2.6 4.4 28 29 A F E -a 3 0A 11 -3,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.836 58.2-156.7-117.8 151.9 27.6 -5.0 5.8 29 30 A E E -a 4 0A 83 -26,-2.1 -24,-3.6 -2,-0.3 2,-0.7 -0.987 22.8-130.8-126.4 118.5 25.3 -7.7 4.4 30 31 A I E +a 5 0A 18 -2,-0.4 -24,-0.2 -26,-0.2 3,-0.1 -0.592 42.9 157.9 -68.7 110.2 22.2 -8.8 6.2 31 32 A H E + 0 0 31 -26,-3.0 2,-0.3 -2,-0.7 -25,-0.2 0.747 54.3 22.2-111.6 -35.2 22.6 -12.6 6.1 32 33 A A E -a 6 0A 2 -27,-1.3 -25,-1.9 42,-0.1 2,-0.4 -1.000 55.2-165.5-142.7 137.7 20.6 -14.1 9.0 33 34 A L E -a 7 0A 0 31,-0.4 33,-3.1 -2,-0.3 2,-0.4 -0.982 11.8-164.8-123.4 138.4 17.6 -12.9 11.0 34 35 A G E +ac 8 66A 0 -27,-3.1 -24,-2.9 -2,-0.4 -25,-1.1 -0.972 20.3 138.2-130.3 136.0 16.4 -14.6 14.3 35 36 A A E - c 0 67A 5 31,-2.2 33,-0.8 -2,-0.4 49,-0.0 -0.794 50.0 -61.5-147.9-166.5 13.3 -14.5 16.4 36 37 A S >> - 0 0 71 -2,-0.2 4,-2.1 31,-0.1 3,-1.0 0.053 56.8 -88.7 -73.8-174.9 11.0 -16.8 18.4 37 38 A S T 34 S+ 0 0 96 1,-0.2 -1,-0.1 2,-0.2 30,-0.0 0.810 125.4 63.4 -64.0 -33.3 8.9 -19.8 17.3 38 39 A R T 34 S+ 0 0 76 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.671 115.5 31.0 -64.8 -17.8 6.0 -17.5 16.6 39 40 A S T X4 S+ 0 0 10 -3,-1.0 3,-2.0 27,-0.1 26,-0.3 0.671 89.9 110.9-112.1 -30.2 8.2 -15.8 13.9 40 41 A A T 3< S+ 0 0 31 -4,-2.1 26,-0.2 1,-0.3 3,-0.1 -0.233 83.5 22.2 -55.6 133.0 10.4 -18.6 12.6 41 42 A G T 3 S+ 0 0 60 24,-2.9 -1,-0.3 1,-0.4 2,-0.2 0.056 100.6 109.8 96.8 -24.1 9.5 -19.6 9.0 42 43 A K S < S- 0 0 99 -3,-2.0 23,-2.9 23,-0.1 -1,-0.4 -0.508 77.0-106.9 -81.4 150.7 7.8 -16.3 8.2 43 44 A K B >> -G 64 0B 84 21,-0.3 4,-1.8 -2,-0.2 3,-1.5 -0.512 39.5-111.1 -62.8 144.7 9.1 -13.6 5.9 44 45 A Y H 3> S+ 0 0 2 19,-2.2 4,-2.1 1,-0.3 18,-0.2 0.858 117.4 58.5 -51.6 -40.8 10.4 -10.7 8.0 45 46 A K H 34 S+ 0 0 99 16,-2.2 -1,-0.3 1,-0.2 5,-0.2 0.776 111.6 40.8 -61.4 -28.3 7.5 -8.5 6.7 46 47 A D H <4 S+ 0 0 106 -3,-1.5 -1,-0.2 15,-0.3 -2,-0.2 0.727 114.4 52.1 -90.1 -26.5 4.9 -11.0 8.1 47 48 A A H < S+ 0 0 20 -4,-1.8 2,-0.5 1,-0.1 -2,-0.2 0.815 104.5 63.2 -77.5 -32.5 6.8 -11.7 11.3 48 49 A A < - 0 0 13 -4,-2.1 2,-1.4 -5,-0.2 -1,-0.1 -0.849 66.9-147.4-108.3 123.6 7.2 -8.0 12.4 49 50 A S - 0 0 110 -2,-0.5 2,-0.2 -38,-0.2 -3,-0.1 -0.746 40.5-135.7 -77.1 92.7 4.5 -5.5 13.2 50 51 A W + 0 0 73 -2,-1.4 -38,-0.1 -5,-0.2 -37,-0.0 -0.354 32.8 175.6 -63.7 121.8 6.7 -2.7 11.8 51 52 A K + 0 0 83 -2,-0.2 2,-0.4 -38,-0.1 -1,-0.1 0.006 41.9 109.0-118.4 26.5 6.7 0.4 14.1 52 53 A Q - 0 0 37 2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.864 67.6-135.5-103.7 140.4 9.2 2.6 12.2 53 54 A T S S+ 0 0 163 -2,-0.4 2,-0.4 2,-0.1 -1,-0.1 0.590 91.2 70.9 -67.8 -11.6 8.1 5.7 10.4 54 55 A E S S- 0 0 92 1,-0.0 -2,-0.2 0, 0.0 2,-0.1 -0.875 84.0-127.5-106.0 140.5 10.4 4.6 7.5 55 56 A T - 0 0 123 -2,-0.4 -2,-0.1 1,-0.0 -1,-0.0 -0.464 20.3-122.2 -83.2 160.0 9.6 1.6 5.3 56 57 A L - 0 0 13 -2,-0.1 -36,-0.1 1,-0.1 5,-0.1 -0.815 29.7-100.9-105.7 140.0 12.0 -1.2 4.6 57 58 A P > - 0 0 57 0, 0.0 4,-1.4 0, 0.0 3,-0.2 -0.131 31.6-115.1 -55.1 156.7 13.3 -2.3 1.1 58 59 A E H > S+ 0 0 145 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.837 110.8 59.1 -66.7 -38.4 11.7 -5.4 -0.5 59 60 A T H 4 S+ 0 0 105 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.877 112.6 39.7 -61.8 -39.7 14.8 -7.6 -0.5 60 61 A E H >4 S+ 0 0 32 -3,-0.2 3,-0.7 1,-0.2 -16,-0.3 0.770 110.2 62.4 -74.3 -28.1 15.0 -7.3 3.3 61 62 A Q H 3< S+ 0 0 64 -4,-1.4 -16,-2.2 1,-0.2 -15,-0.3 0.790 104.4 46.8 -68.6 -29.7 11.2 -7.6 3.5 62 63 A D T 3< S+ 0 0 51 -4,-1.5 -1,-0.2 -18,-0.2 -2,-0.2 0.472 80.6 121.5 -93.4 -5.5 11.3 -11.1 2.0 63 64 A I < - 0 0 50 -3,-0.7 -19,-2.2 -4,-0.3 2,-0.6 -0.411 67.3-118.0 -69.7 132.8 14.1 -12.6 4.1 64 65 A V B -G 43 0B 82 -21,-0.2 -31,-0.4 -2,-0.1 -21,-0.3 -0.597 23.5-127.2 -82.1 116.4 12.9 -15.7 6.1 65 66 A V - 0 0 2 -23,-2.9 -24,-2.9 -2,-0.6 -31,-0.2 -0.377 29.4-157.0 -65.1 134.7 13.2 -15.3 9.9 66 67 A Q E -c 34 0A 46 -33,-3.1 -31,-2.2 -26,-0.2 2,-0.2 -0.523 23.1 -89.4-110.8 169.0 15.1 -18.1 11.5 67 68 A E E -c 35 0A 88 -33,-0.2 2,-2.3 -2,-0.2 4,-0.2 -0.542 47.1-104.5 -77.2 149.3 15.2 -19.7 15.0 68 69 A C S S+ 0 0 15 -33,-0.8 -1,-0.1 -2,-0.2 -34,-0.1 -0.424 78.8 120.0 -79.1 69.8 17.7 -18.1 17.4 69 70 A K S S- 0 0 92 -2,-2.3 2,-2.5 2,-0.2 5,-0.3 -0.988 76.5-111.6-131.4 142.4 20.3 -20.9 17.2 70 71 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.445 79.5 121.7 -73.3 79.1 24.0 -20.7 16.1 71 72 A E > - 0 0 110 -2,-2.5 3,-1.9 -4,-0.2 2,-0.4 -0.985 65.7 -22.6-149.9 142.6 23.1 -22.7 13.0 72 73 A G T 3 S+ 0 0 50 -2,-0.3 4,-0.3 1,-0.3 3,-0.2 -0.360 133.1 13.2 60.5-109.0 23.2 -22.6 9.2 73 74 A N T > S+ 0 0 70 -2,-0.4 3,-1.0 1,-0.2 4,-0.4 0.813 125.5 60.4 -69.3 -33.7 23.3 -18.9 8.2 74 75 A F G X S+ 0 0 0 -3,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.858 99.6 55.6 -64.5 -36.7 24.1 -17.7 11.7 75 76 A L G 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.2 0.622 104.9 56.6 -68.0 -12.1 27.3 -19.7 11.8 76 77 A E G < S+ 0 0 110 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 0.518 84.1 105.5 -96.6 -9.1 28.2 -17.8 8.6 77 78 A C < - 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0 0 12 -5,-2.0 47,-1.3 45,-0.2 2,-0.7 -0.511 52.8-118.9 -97.1 157.9 30.6 -16.0 17.1 102 103 A A E - e 0 148A 8 -25,-0.3 -22,-3.2 45,-0.2 2,-0.5 -0.842 34.5-169.2 -95.2 111.0 31.0 -12.3 17.5 103 104 A V E -de 80 149A 0 45,-2.5 47,-2.7 -2,-0.7 2,-0.5 -0.882 17.5-174.3-109.4 128.7 28.0 -10.9 19.4 104 105 A V E -de 81 150A 0 -24,-2.1 -22,-1.9 -2,-0.5 2,-0.4 -0.953 26.5-171.5-117.5 106.7 27.1 -7.2 19.8 105 106 A S E -de 82 151A 0 45,-2.2 47,-3.3 -2,-0.5 -22,-0.2 -0.847 38.8-170.5-118.1 136.9 24.1 -7.1 22.1 106 107 A N + 0 0 31 -24,-3.4 -23,-0.2 -2,-0.4 2,-0.1 0.475 62.0 111.9 -91.1 -6.3 21.6 -4.5 23.4 107 108 A A - 0 0 7 -25,-0.4 3,-0.4 1,-0.1 45,-0.2 -0.439 69.1-137.4 -66.6 142.3 20.2 -7.0 26.0 108 109 A K S > S+ 0 0 119 1,-0.2 3,-1.3 2,-0.1 4,-0.5 0.649 80.4 95.4 -74.7 -17.3 21.1 -6.1 29.6 109 110 A N T 3 S+ 0 0 58 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.816 93.3 26.0 -45.9 -53.0 22.0 -9.7 30.6 110 111 A Y T > S+ 0 0 45 -3,-0.4 3,-1.2 1,-0.2 -1,-0.3 0.320 90.5 103.4-103.3 8.1 25.7 -9.6 30.1 111 112 A R T < S+ 0 0 12 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.879 86.6 42.1 -55.0 -44.3 26.3 -5.9 30.7 112 113 A R T 3 S+ 0 0 118 -4,-0.5 -1,-0.3 -3,-0.3 2,-0.2 0.349 83.5 123.9 -91.2 4.6 27.7 -6.4 34.2 113 114 A E X - 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