==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-AUG-07 2QZ9 . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR R.E.VIOLA,X.LIU,J.F.OHREN,C.R.FAEHNLE . 1007 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 723 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 10.7 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 1 0.1 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 . 80 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 3.4 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 2 0 0 0 0 1 2 0 3 5 2 4 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 8 6 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 PARALLEL BRIDGES PER LADDER . 6 0 0 3 3 0 0 3 3 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 0 0 0 0 3 3 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 3 A S 0 0 164 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.4 17.6 -103.6 15.0 2 4 A Q - 0 0 121 1,-0.0 2,-0.3 29,-0.0 29,-0.0 -0.599 360.0-156.6 -70.5 125.9 18.2 -103.0 18.7 3 5 A Q - 0 0 102 -2,-0.4 2,-0.4 27,-0.1 27,-0.2 -0.809 5.7-150.9-114.6 150.5 14.8 -102.3 20.3 4 6 A F E -a 30 0A 6 25,-2.6 27,-2.3 -2,-0.3 2,-0.4 -0.922 16.7-125.5-123.9 140.8 13.9 -100.5 23.5 5 7 A N E - 0 0 31 -2,-0.4 62,-2.1 25,-0.2 63,-1.6 -0.720 36.0-164.4 -79.9 132.9 11.0 -100.8 26.0 6 8 A V E -ab 33 68A 2 26,-3.2 28,-2.8 -2,-0.4 2,-0.4 -0.977 13.7-163.4-130.6 127.8 9.4 -97.3 26.4 7 9 A A E -ab 34 69A 0 61,-2.4 63,-2.7 -2,-0.4 2,-0.5 -0.867 3.7-161.5-103.8 141.2 7.0 -95.9 29.0 8 10 A I E -ab 35 70A 0 26,-2.2 28,-2.9 -2,-0.4 2,-0.5 -0.993 8.5-161.9-117.0 118.9 4.9 -92.8 28.5 9 11 A F E S+ab 36 71A 1 61,-2.1 63,-2.8 -2,-0.5 28,-0.2 -0.917 80.0 34.2-103.7 122.2 3.7 -91.3 31.8 10 12 A G S > S+ 0 0 8 26,-2.4 3,-1.6 -2,-0.5 6,-0.5 0.689 73.1 162.5 97.3 34.5 0.8 -88.9 31.3 11 13 A A T 3 + 0 0 3 25,-1.9 26,-0.1 -3,-0.5 9,-0.1 0.665 66.4 55.4 -62.7 -22.6 -0.6 -91.0 28.4 12 14 A T T 3 S+ 0 0 40 24,-0.2 -1,-0.3 4,-0.1 2,-0.2 0.493 90.8 91.7 -92.8 -1.7 -4.1 -89.5 28.4 13 15 A G S <> S- 0 0 28 -3,-1.6 4,-3.3 59,-0.1 5,-0.3 -0.480 91.2-105.8 -88.5 161.6 -2.9 -85.8 28.1 14 16 A A H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.888 122.0 42.6 -52.1 -45.4 -2.5 -84.0 24.8 15 17 A V H > S+ 0 0 25 2,-0.2 4,-2.5 57,-0.2 -1,-0.2 0.913 114.3 49.3 -72.2 -43.2 1.3 -84.2 25.0 16 18 A G H > S+ 0 0 2 -6,-0.5 4,-1.7 56,-0.4 -2,-0.2 0.931 113.3 48.5 -57.8 -45.0 1.3 -87.9 26.2 17 19 A E H X S+ 0 0 47 -4,-3.3 4,-1.8 -7,-0.3 -2,-0.2 0.887 113.1 47.4 -62.9 -40.3 -1.1 -88.7 23.3 18 20 A T H X S+ 0 0 16 -4,-1.9 4,-3.2 -5,-0.3 5,-0.2 0.824 104.4 59.9 -69.7 -35.7 1.1 -86.9 20.8 19 21 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.912 106.5 48.8 -57.1 -44.6 4.3 -88.6 22.2 20 22 A L H X S+ 0 0 14 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.959 112.6 47.4 -56.2 -54.3 2.7 -91.9 21.2 21 23 A E H X S+ 0 0 80 -4,-1.8 4,-3.3 1,-0.2 -2,-0.2 0.919 113.8 47.3 -54.9 -48.5 1.8 -90.5 17.7 22 24 A V H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.874 109.4 53.3 -62.7 -40.2 5.3 -89.1 17.2 23 25 A L H <>S+ 0 0 1 -4,-2.5 5,-2.3 -5,-0.2 4,-0.2 0.935 114.8 42.9 -57.4 -43.9 6.9 -92.4 18.3 24 26 A Q H ><5S+ 0 0 71 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.972 116.4 46.2 -65.6 -54.9 4.7 -94.1 15.7 25 27 A E H 3<5S+ 0 0 97 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.809 115.2 45.2 -58.9 -37.8 5.3 -91.5 12.9 26 28 A R T 3<5S- 0 0 88 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.392 107.5-127.2 -91.7 4.9 9.1 -91.3 13.5 27 29 A E T < 5 - 0 0 172 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.924 32.2-164.4 52.1 52.9 9.3 -95.2 13.6 28 30 A F < - 0 0 11 -5,-2.3 2,-2.2 -6,-0.2 -1,-0.1 -0.424 31.4-105.9 -65.1 142.1 11.1 -95.2 16.9 29 31 A P + 0 0 47 0, 0.0 -25,-2.6 0, 0.0 2,-0.5 -0.443 57.7 167.1 -69.4 72.8 12.7 -98.6 17.7 30 32 A V E +a 4 0A 12 -2,-2.2 -25,-0.2 -27,-0.2 3,-0.2 -0.784 25.4 178.8 -95.3 125.3 10.2 -99.7 20.4 31 33 A D E S+ 0 0 99 -27,-2.3 2,-0.4 -2,-0.5 -26,-0.2 0.924 79.2 2.2 -77.9 -72.3 10.0 -103.3 21.6 32 34 A E E - 0 0 103 33,-0.1 -26,-3.2 -28,-0.1 2,-0.5 -0.949 65.8-154.6-121.7 141.6 7.2 -102.7 24.1 33 35 A L E -a 6 0A 10 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.947 8.2-165.8-110.8 129.4 5.3 -99.5 24.9 34 36 A F E -a 7 0A 9 -28,-2.8 -26,-2.2 -2,-0.5 2,-0.5 -0.950 7.4-152.0-112.5 137.7 3.7 -99.0 28.3 35 37 A L E -ac 8 55A 2 19,-0.6 21,-3.0 -2,-0.4 2,-0.4 -0.956 17.1-169.1-112.8 124.6 1.1 -96.3 28.9 36 38 A L E +ac 9 56A 0 -28,-2.9 -26,-2.4 -2,-0.5 -25,-1.9 -0.881 19.5 131.4-121.8 140.8 0.9 -94.9 32.4 37 39 A A E - c 0 57A 5 19,-1.9 21,-2.4 -2,-0.4 22,-0.3 -0.895 55.1 -61.1-158.8-171.6 -1.5 -92.7 34.3 38 40 A S > - 0 0 35 -2,-0.3 4,-0.5 19,-0.2 -1,-0.1 -0.049 61.9 -91.1 -68.6-177.5 -3.6 -92.3 37.5 39 41 A E T >4 S+ 0 0 148 1,-0.2 3,-0.5 2,-0.2 18,-0.1 0.833 120.6 58.2 -70.9 -35.9 -6.3 -94.9 38.4 40 42 A R T 34 S+ 0 0 94 1,-0.2 -1,-0.2 3,-0.1 503,-0.0 0.866 106.7 48.5 -64.9 -37.2 -9.2 -93.1 36.7 41 43 A S T >4 S+ 0 0 35 -3,-0.1 3,-1.9 2,-0.1 -1,-0.2 0.633 86.4 120.1 -76.8 -16.8 -7.5 -93.2 33.3 42 44 A E T << S+ 0 0 58 -3,-0.5 14,-0.2 -4,-0.5 3,-0.1 -0.234 70.7 27.1 -52.6 130.9 -6.7 -96.9 33.8 43 45 A G T 3 S+ 0 0 36 12,-2.8 -1,-0.2 1,-0.4 13,-0.1 0.174 84.0 133.4 99.2 -16.9 -8.3 -99.2 31.2 44 46 A K < - 0 0 105 -3,-1.9 11,-2.7 11,-0.2 -1,-0.4 -0.304 48.2-136.9 -58.5 150.5 -8.4 -96.6 28.4 45 47 A T E +G 54 0B 82 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.908 24.4 175.9-120.5 145.8 -7.1 -97.9 25.1 46 48 A Y E -G 53 0B 33 7,-1.9 7,-3.5 -2,-0.3 2,-0.5 -0.964 28.2-120.7-139.9 155.0 -4.8 -96.4 22.4 47 49 A R E +G 52 0B 144 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.858 27.2 178.0-101.5 127.4 -3.4 -97.9 19.2 48 50 A F E > S-G 51 0B 12 3,-2.6 3,-1.9 -2,-0.5 -15,-0.1 -0.978 73.7 -19.9-129.9 123.1 0.3 -98.2 18.7 49 51 A N T 3 S- 0 0 84 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.836 129.0 -50.3 47.8 39.4 1.7 -99.8 15.6 50 52 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.250 118.2 102.6 93.9 -9.8 -1.6 -101.6 15.0 51 53 A K E < S-G 48 0B 144 -3,-1.9 -3,-2.6 0, 0.0 2,-0.3 -0.892 73.3-115.6-115.6 135.6 -2.0 -103.1 18.5 52 54 A T E -G 47 0B 87 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.500 29.2-165.6 -66.0 123.9 -4.2 -101.9 21.3 53 55 A V E -G 46 0B 27 -7,-3.5 -7,-1.9 -2,-0.3 2,-0.4 -0.954 11.2-140.8-112.2 132.2 -2.2 -100.7 24.4 54 56 A R E -G 45 0B 124 -2,-0.4 -19,-0.6 -9,-0.2 2,-0.4 -0.774 14.5-122.0 -98.3 134.5 -4.0 -100.3 27.7 55 57 A V E -c 35 0A 0 -11,-2.7 -12,-2.8 -2,-0.4 2,-0.3 -0.594 34.8-165.9 -71.5 125.4 -3.3 -97.5 30.1 56 58 A Q E -c 36 0A 55 -21,-3.0 -19,-1.9 -2,-0.4 2,-0.1 -0.823 27.5 -89.7-116.5 157.2 -2.3 -98.8 33.5 57 59 A N E > -c 37 0A 18 -2,-0.3 3,-0.9 -21,-0.2 4,-0.3 -0.400 24.6-144.6 -62.4 128.0 -1.9 -97.2 37.0 58 60 A V G > S+ 0 0 3 -21,-2.4 3,-1.3 1,-0.2 -1,-0.1 0.839 97.7 66.1 -61.7 -34.0 1.5 -95.8 37.7 59 61 A E G 3 S+ 0 0 108 -22,-0.3 -1,-0.2 1,-0.3 -21,-0.1 0.781 107.7 39.7 -55.9 -31.8 1.2 -97.0 41.4 60 62 A E G < S+ 0 0 143 -3,-0.9 2,-0.3 2,-0.1 -1,-0.3 0.377 91.3 118.2-102.1 2.0 1.3 -100.6 40.2 61 63 A F < - 0 0 14 -3,-1.3 2,-0.8 -4,-0.3 -3,-0.0 -0.544 57.8-141.2 -84.1 132.2 3.9 -100.3 37.5 62 64 A D > - 0 0 87 -2,-0.3 3,-1.3 1,-0.1 4,-0.1 -0.822 11.0-162.6 -90.4 109.7 7.2 -102.1 37.6 63 65 A W G > S+ 0 0 11 -2,-0.8 3,-1.5 1,-0.2 -1,-0.1 0.619 78.5 78.0 -67.3 -16.9 9.8 -99.7 36.3 64 66 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.2 26,-0.0 -2,-0.0 0.642 80.2 71.4 -72.4 -12.6 12.4 -102.4 35.5 65 67 A Q G < S+ 0 0 75 -3,-1.3 2,-0.3 2,-0.0 -1,-0.3 0.582 93.9 71.6 -70.8 -9.8 10.4 -103.3 32.4 66 68 A V < - 0 0 10 -3,-1.5 -60,-0.2 1,-0.1 3,-0.1 -0.855 49.3-172.3-126.6 140.8 11.6 -100.1 30.7 67 69 A H S S+ 0 0 72 -62,-2.1 24,-2.3 -2,-0.3 2,-0.4 0.831 84.4 19.6 -87.4 -43.1 14.7 -98.4 29.2 68 70 A I E -bd 6 91A 1 -63,-1.6 -61,-2.4 22,-0.2 2,-0.4 -0.983 61.8-164.1-135.1 137.0 13.3 -94.9 28.6 69 71 A A E -bd 7 92A 0 22,-2.3 24,-2.9 -2,-0.4 2,-0.6 -0.987 8.3-154.9-119.1 136.4 10.3 -93.1 30.0 70 72 A L E -bd 8 93A 1 -63,-2.7 -61,-2.1 -2,-0.4 2,-0.4 -0.962 20.6-156.6-104.9 114.4 8.9 -89.9 28.5 71 73 A F E +bd 9 94A 0 22,-3.0 24,-3.3 -2,-0.6 -61,-0.2 -0.815 34.8 143.9 -97.3 130.4 7.1 -87.9 31.3 72 74 A S + 0 0 22 -63,-2.8 -56,-0.4 -2,-0.4 -57,-0.2 -0.189 35.8 110.6-152.7 57.3 4.3 -85.4 30.7 73 75 A A S S- 0 0 11 1,-0.3 4,-0.4 -58,-0.1 469,-0.2 0.028 87.8 -80.8-117.3 24.4 1.9 -85.7 33.6 74 76 A G > - 0 0 38 21,-0.4 4,-1.8 1,-0.1 -1,-0.3 0.131 49.1 -77.5 89.8 154.2 2.6 -82.3 35.4 75 77 A G H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.801 123.1 56.2 -57.7 -38.7 5.3 -81.2 37.8 76 78 A E H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 110.6 44.0 -60.8 -48.5 3.9 -82.8 40.9 77 79 A L H > S+ 0 0 16 -4,-0.4 4,-3.3 -3,-0.2 5,-0.4 0.842 112.5 52.6 -67.9 -34.0 3.9 -86.3 39.4 78 80 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.888 109.6 49.3 -66.7 -39.3 7.3 -85.8 37.8 79 81 A A H < S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.906 118.9 39.7 -63.7 -42.2 8.7 -84.8 41.2 80 82 A K H < S+ 0 0 36 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.964 128.1 27.5 -69.2 -54.8 7.1 -87.9 42.8 81 83 A W H X S+ 0 0 19 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.761 104.1 69.9 -91.1 -28.4 7.7 -90.5 40.1 82 84 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.4 5,-0.2 0.894 99.8 49.5 -59.0 -45.4 10.9 -89.5 38.2 83 85 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.870 112.2 51.5 -60.9 -34.4 13.3 -90.3 41.0 84 86 A I H > S+ 0 0 51 -4,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.917 112.5 42.8 -66.6 -48.6 11.6 -93.7 41.4 85 87 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -1,-0.2 0.904 116.5 50.0 -62.5 -41.8 12.0 -94.5 37.7 86 88 A A H ><5S+ 0 0 11 -4,-2.8 3,-1.6 -5,-0.2 -2,-0.2 0.885 105.9 54.4 -65.3 -42.5 15.5 -93.2 37.8 87 89 A E H 3<5S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.888 105.3 56.3 -54.8 -38.9 16.4 -95.3 40.8 88 90 A A T 3<5S- 0 0 50 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.417 126.6 -99.6 -77.3 2.6 15.2 -98.3 38.9 89 91 A G T < 5S+ 0 0 49 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.559 78.5 137.3 91.2 7.3 17.7 -97.6 36.0 90 92 A V < - 0 0 0 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.3 -0.718 52.9-132.1 -85.2 135.1 15.2 -95.9 33.7 91 93 A V E -d 68 0A 4 -24,-2.3 -22,-2.3 -2,-0.4 2,-0.4 -0.816 25.4-151.0 -86.8 120.0 16.3 -92.8 31.8 92 94 A V E -de 69 125A 0 32,-3.2 34,-2.7 -2,-0.6 2,-0.6 -0.778 14.4-164.1 -97.6 127.8 13.6 -90.2 32.2 93 95 A I E -de 70 126A 0 -24,-2.9 -22,-3.0 -2,-0.4 2,-0.7 -0.974 24.4-153.6-108.8 112.1 12.9 -87.5 29.6 94 96 A D E -de 71 127A 0 32,-3.0 34,-2.7 -2,-0.6 2,-1.1 -0.818 22.0-169.2-104.7 110.6 10.8 -85.0 31.6 95 97 A N + 0 0 23 -24,-3.3 -21,-0.4 -2,-0.7 2,-0.3 -0.533 63.3 85.6 -90.6 62.9 8.3 -82.7 29.9 96 98 A T S S- 0 0 8 -2,-1.1 32,-0.3 32,-0.2 3,-0.3 -0.908 84.6-116.1-142.4 174.8 7.7 -80.6 33.0 97 99 A S S >> S+ 0 0 38 -2,-0.3 3,-1.2 1,-0.2 4,-0.5 0.652 89.2 97.7 -85.2 -11.5 9.4 -77.6 34.5 98 100 A H T 34 S+ 0 0 27 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.774 92.0 25.2 -51.0 -46.7 10.3 -79.5 37.6 99 101 A F T >4 S+ 0 0 0 -3,-0.3 3,-0.8 1,-0.2 -1,-0.3 0.451 94.3 98.2-100.2 -0.2 13.9 -80.6 36.9 100 102 A R T <4 S+ 0 0 20 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.806 90.8 35.8 -59.1 -36.3 14.8 -77.8 34.4 101 103 A Y T 3< S+ 0 0 18 -4,-0.5 -1,-0.3 -3,-0.3 2,-0.2 0.425 82.9 123.6-105.0 -2.8 16.7 -75.5 36.9 102 104 A D X - 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