==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-APR-04 1T3M . COMPND 2 MOLECULE: PUTATIVE L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.PRAHL,M.PAZGIER,M.HEJAZI,W.LOCKAU,J.LUBKOWSKI . 580 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 21.0 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 . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.1 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 2 0 2 0 0 0 8 2 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 2 4 6 2 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 2 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 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 1 A G 0 0 96 0, 0.0 262,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 147.8 28.3 -22.2 45.3 2 2 A K - 0 0 126 260,-0.2 162,-0.1 1,-0.1 2,-0.0 -0.515 360.0 -84.6 -83.4 166.2 25.3 -22.8 47.6 3 3 A A + 0 0 0 -2,-0.1 278,-2.5 39,-0.1 2,-0.3 -0.277 58.6 170.0 -60.4 139.9 21.9 -21.4 47.0 4 4 A V E -AB 164 280A 0 160,-1.7 160,-2.5 276,-0.3 2,-0.3 -0.991 20.3-157.2-155.7 155.0 21.5 -17.9 48.4 5 5 A I E -AB 163 279A 0 274,-1.9 274,-2.1 -2,-0.3 2,-0.3 -0.976 4.2-172.8-135.9 149.4 19.2 -14.9 48.4 6 6 A A E -AB 162 278A 0 156,-2.4 156,-2.5 -2,-0.3 2,-0.3 -0.987 8.4-175.6-134.2 147.4 19.4 -11.2 49.0 7 7 A I E -AB 161 277A 0 270,-2.7 270,-2.0 -2,-0.3 2,-0.3 -0.917 5.6-161.8-131.6 161.1 16.6 -8.7 49.3 8 8 A H E -AB 160 276A 0 152,-2.4 152,-2.3 -2,-0.3 268,-0.3 -0.983 16.1-163.7-139.6 157.3 16.3 -5.0 49.7 9 9 A G E - 0 0 7 266,-2.2 57,-0.4 -2,-0.3 150,-0.2 -0.029 68.5 -59.6-123.6 26.5 13.7 -2.5 50.8 10 10 A G E - 0 0 11 265,-0.4 265,-2.2 55,-0.1 2,-0.3 0.146 43.5-125.6 111.9 137.9 15.1 0.8 49.4 11 11 A A E S+ B 0 274A 16 263,-0.2 263,-0.2 244,-0.1 2,-0.2 -0.890 79.7 28.2-108.1 149.2 18.3 2.9 49.9 12 12 A G S S+ 0 0 39 261,-1.9 2,-0.5 -2,-0.3 260,-0.2 -0.188 87.2 86.2 110.9 -48.8 18.4 6.5 50.8 13 13 A A S S+ 0 0 95 -2,-0.2 2,-0.5 258,-0.1 261,-0.1 -0.015 70.2 107.5 -84.8 35.4 15.3 7.4 52.9 14 14 A I + 0 0 5 -2,-0.5 2,-0.4 259,-0.2 258,-0.1 -0.952 35.4 164.5-129.0 120.0 17.0 6.3 56.1 15 15 A S >> - 0 0 21 -2,-0.5 3,-1.3 1,-0.1 4,-0.8 -0.992 27.7-151.4-136.8 118.6 18.3 8.5 59.0 16 16 A R G >4 S+ 0 0 150 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.898 100.1 54.1 -56.9 -42.9 19.1 7.3 62.4 17 17 A A G 34 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.742 112.9 45.4 -67.7 -15.8 18.3 10.6 64.1 18 18 A Q G <4 S+ 0 0 164 -3,-1.3 -1,-0.3 2,-0.0 2,-0.2 0.509 102.8 81.5-103.7 -4.5 14.9 10.4 62.4 19 19 A M << - 0 0 38 -3,-1.1 2,-0.3 -4,-0.8 -5,-0.0 -0.665 63.3-147.5 -99.5 155.4 14.2 6.8 63.3 20 20 A S > - 0 0 52 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.826 26.4-116.6-112.1 156.0 12.9 5.2 66.5 21 21 A L H > S+ 0 0 103 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.866 114.2 56.3 -63.1 -34.8 13.9 1.8 67.8 22 22 A Q H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.905 110.3 47.4 -64.9 -30.4 10.4 0.4 67.5 23 23 A Q H > S+ 0 0 63 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.921 110.9 49.7 -70.2 -46.4 10.4 1.4 63.8 24 24 A E H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 109.4 53.8 -56.8 -38.9 13.8 -0.2 63.3 25 25 A L H X S+ 0 0 65 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.879 106.1 51.4 -65.7 -38.9 12.6 -3.3 65.0 26 26 A R H X S+ 0 0 115 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.900 111.1 48.6 -63.9 -42.7 9.6 -3.6 62.6 27 27 A Y H X S+ 0 0 23 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.919 111.4 48.6 -61.5 -44.6 11.8 -3.3 59.6 28 28 A I H X S+ 0 0 49 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.924 112.0 50.5 -62.3 -41.2 14.3 -5.9 60.9 29 29 A E H X S+ 0 0 126 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 112.5 45.7 -62.9 -45.5 11.4 -8.3 61.6 30 30 A A H X S+ 0 0 17 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.928 113.8 47.6 -66.2 -43.9 9.9 -7.9 58.2 31 31 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.4 0.945 114.0 48.8 -60.4 -45.9 13.2 -8.2 56.3 32 32 A S H X S+ 0 0 26 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.949 110.2 50.3 -61.9 -44.6 14.1 -11.3 58.4 33 33 A A H X S+ 0 0 52 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.945 115.5 42.2 -61.8 -44.4 10.7 -12.9 57.8 34 34 A I H X S+ 0 0 14 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.922 113.3 48.8 -72.6 -43.3 10.9 -12.5 54.0 35 35 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.910 110.7 55.0 -63.8 -33.6 14.5 -13.4 53.5 36 36 A E H X S+ 0 0 85 -4,-2.1 4,-2.4 -5,-0.4 -1,-0.2 0.915 104.4 51.8 -63.9 -41.5 13.8 -16.5 55.6 37 37 A T H X S+ 0 0 61 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.888 111.3 48.9 -59.6 -40.4 10.9 -17.6 53.4 38 38 A G H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.916 109.4 51.8 -64.9 -44.0 13.2 -17.2 50.4 39 39 A Q H X S+ 0 0 7 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.922 110.8 47.2 -57.2 -48.8 15.9 -19.3 52.0 40 40 A K H X S+ 0 0 129 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.887 110.8 52.1 -64.7 -39.0 13.5 -22.1 52.8 41 41 A M H <>S+ 0 0 39 -4,-2.2 5,-2.6 2,-0.2 4,-0.3 0.935 111.7 46.7 -59.6 -43.1 12.2 -22.0 49.3 42 42 A L H ><5S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 124,-0.3 0.956 110.4 52.3 -66.0 -43.6 15.7 -22.3 47.9 43 43 A E H 3<5S+ 0 0 113 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.0 53.8 -57.1 -36.6 16.5 -25.1 50.4 44 44 A A T 3<5S- 0 0 77 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.384 125.0-102.5 -76.6 -4.1 13.4 -26.9 49.1 45 45 A G T < 5 + 0 0 37 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.572 65.0 157.2 91.3 8.9 14.7 -26.7 45.5 46 46 A E < - 0 0 81 -5,-2.6 120,-0.4 -6,-0.2 -1,-0.2 -0.273 47.6 -96.0 -63.5 157.9 12.5 -23.9 44.2 47 47 A S > - 0 0 36 1,-0.1 4,-2.3 118,-0.1 5,-0.1 -0.419 21.2-120.7 -75.8 152.9 13.8 -21.9 41.2 48 48 A A H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.847 115.3 53.6 -55.9 -39.9 15.6 -18.6 41.5 49 49 A L H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 109.7 45.7 -64.9 -45.4 12.9 -17.0 39.4 50 50 A D H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 112.7 53.2 -66.7 -34.5 10.1 -18.2 41.7 51 51 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.940 110.6 42.8 -66.1 -48.8 12.1 -17.1 44.7 52 52 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.862 114.2 53.0 -68.9 -30.9 12.7 -13.6 43.7 53 53 A T H X S+ 0 0 7 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.951 113.1 43.2 -66.0 -46.6 9.2 -13.3 42.5 54 54 A E H X S+ 0 0 55 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.912 111.7 53.5 -64.0 -41.3 7.8 -14.4 45.8 55 55 A A H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.932 112.1 44.6 -62.2 -43.3 10.2 -12.3 47.8 56 56 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.909 109.2 56.0 -74.3 -33.9 9.2 -9.2 46.0 57 57 A R H X S+ 0 0 62 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.919 108.9 48.4 -53.4 -44.6 5.5 -10.1 46.2 58 58 A L H X S+ 0 0 41 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.902 110.8 49.9 -64.9 -39.0 6.0 -10.2 50.0 59 59 A L H < S+ 0 0 0 -4,-1.9 6,-0.4 2,-0.2 -2,-0.2 0.860 111.0 50.2 -67.9 -35.9 7.8 -6.9 50.0 60 60 A E H < S+ 0 0 0 -4,-2.7 9,-0.6 1,-0.2 7,-0.2 0.939 110.1 49.4 -63.5 -48.3 4.9 -5.4 48.0 61 61 A E H < S+ 0 0 48 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.854 93.9 89.1 -62.9 -28.6 2.3 -6.7 50.4 62 62 A C S >< S- 0 0 22 -4,-1.5 3,-1.6 -5,-0.2 5,-0.2 -0.598 70.7-150.8 -74.8 120.7 4.2 -5.3 53.3 63 63 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.642 88.4 73.2 -68.5 -13.3 3.1 -1.7 54.0 64 64 A L T 3 S+ 0 0 39 -38,-0.1 2,-0.4 2,-0.1 6,-0.1 0.746 91.0 67.1 -67.7 -25.4 6.5 -0.8 55.4 65 65 A F S < S- 0 0 2 -3,-1.6 2,-2.1 -6,-0.4 94,-0.1 -0.819 87.2-117.5-112.7 144.3 8.1 -0.8 51.9 66 66 A N S S+ 0 0 20 -2,-0.4 111,-1.3 -57,-0.4 112,-0.4 -0.523 84.7 83.2 -81.2 80.8 7.5 1.5 49.0 67 67 A A S S- 0 0 0 -2,-2.1 -2,-0.2 2,-0.4 110,-0.1 -0.844 98.3 -20.4-172.4 139.5 6.2 -1.0 46.5 68 68 A G S > S+ 0 0 0 -2,-0.2 3,-1.9 108,-0.2 -7,-0.2 -0.213 130.9 23.7 49.6-132.1 2.6 -2.4 46.2 69 69 A I T 3 S+ 0 0 26 -9,-0.6 -2,-0.4 1,-0.3 -4,-0.3 -0.346 131.0 33.4 -63.8 128.9 0.7 -1.7 49.5 70 70 A G T 3 S+ 0 0 0 73,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.487 84.4 158.4 101.1 -1.8 2.5 1.1 51.1 71 71 A A < - 0 0 0 -3,-1.9 74,-0.3 72,-0.3 -1,-0.2 -0.334 43.5-110.1 -62.0 142.8 3.5 2.9 47.9 72 72 A V - 0 0 5 106,-0.1 2,-0.3 8,-0.1 8,-0.3 -0.151 34.9-108.3 -62.0 167.0 4.3 6.6 48.0 73 73 A F - 0 0 13 75,-0.3 108,-2.4 6,-0.1 109,-0.6 -0.810 20.5-132.8-100.0 142.6 1.9 9.2 46.5 74 74 A T B > -i 182 0B 2 4,-2.6 3,-1.8 -2,-0.3 109,-0.2 -0.203 42.1 -92.3 -75.8 178.1 2.5 11.2 43.3 75 75 A R T 3 S+ 0 0 103 107,-2.3 108,-0.1 1,-0.3 -1,-0.1 0.707 129.2 57.6 -68.9 -14.8 1.9 14.9 43.3 76 76 A D T 3 S- 0 0 109 106,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.189 120.8-108.9 -94.0 9.7 -1.7 14.2 42.1 77 77 A E S < S+ 0 0 84 -3,-1.8 2,-0.2 1,-0.2 -2,-0.1 0.859 81.4 122.5 59.8 38.6 -2.3 12.0 45.2 78 78 A T - 0 0 54 2,-0.0 -4,-2.6 66,-0.0 2,-0.4 -0.686 61.7-121.0-114.9 172.7 -2.2 8.9 43.0 79 79 A H - 0 0 4 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.1 -0.988 23.2-178.1-113.0 128.2 -0.1 5.7 43.0 80 80 A E - 0 0 30 97,-0.5 2,-0.3 -2,-0.4 20,-0.2 -0.985 14.4-166.0-125.5 120.4 1.9 4.7 39.9 81 81 A L E -C 99 0A 0 18,-2.9 18,-2.3 -2,-0.4 2,-0.3 -0.777 9.8-174.1-114.9 151.3 3.8 1.4 40.3 82 82 A D E + D 0 176A 2 94,-2.1 94,-2.9 -2,-0.3 2,-0.3 -0.958 7.6 168.4-139.7 148.6 6.6 -0.2 38.3 83 83 A A E -CD 96 175A 0 13,-2.6 13,-2.4 -2,-0.3 2,-0.3 -0.989 11.3-167.6-159.7 160.1 8.3 -3.6 38.4 84 84 A C E -CD 95 174A 0 90,-2.6 90,-2.6 -2,-0.3 2,-0.3 -0.984 1.5-173.0-147.7 148.9 10.7 -5.9 36.5 85 85 A V E -CD 94 173A 0 9,-2.4 9,-2.3 -2,-0.3 2,-0.4 -0.990 7.2-169.2-139.0 143.6 11.8 -9.5 36.7 86 86 A M E -CD 93 172A 0 86,-2.8 86,-1.9 -2,-0.3 2,-0.6 -0.997 15.0-145.5-137.6 140.9 14.5 -11.3 34.7 87 87 A D E > - 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0 0 0 35,-0.2 35,-0.1 1,-0.1 -34,-0.1 -0.973 62.2-150.8-119.2 121.6 -2.8 -4.2 39.8 103 103 A R S S+ 0 0 97 -2,-0.5 -34,-0.2 33,-0.5 -1,-0.1 0.856 88.6 30.6 -60.9 -39.0 -2.2 -5.4 43.3 104 104 A N >> - 0 0 17 1,-0.1 4,-1.6 -36,-0.1 3,-1.3 -0.813 62.9-172.3-128.1 86.9 1.2 -6.9 42.7 105 105 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.844 87.3 57.1 -45.7 -42.3 3.3 -5.2 40.0 106 106 A V H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 105.4 51.3 -64.5 -30.4 6.0 -8.0 40.1 107 107 A L H <> S+ 0 0 58 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.858 110.3 49.4 -72.8 -32.1 3.3 -10.6 39.3 108 108 A A H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.904 110.2 51.0 -67.4 -41.0 2.2 -8.5 36.4 109 109 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.915 110.0 48.4 -61.6 -44.1 5.7 -8.3 35.2 110 110 A R H X S+ 0 0 44 -4,-2.3 4,-4.1 1,-0.2 -1,-0.2 0.902 108.7 56.0 -64.9 -32.6 6.2 -12.0 35.5 111 111 A L H X S+ 0 0 16 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.885 104.6 51.0 -66.4 -39.8 2.9 -12.3 33.5 112 112 A V H X S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 6,-0.4 0.926 116.3 43.3 -59.2 -45.3 4.4 -10.2 30.7 113 113 A M H >< S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.975 123.6 33.9 -59.5 -57.5 7.3 -12.6 30.8 114 114 A E H 3< S+ 0 0 85 -4,-4.1 -2,-0.2 1,-0.2 -3,-0.2 0.731 126.7 31.4 -79.5 -26.7 5.4 -15.8 31.1 115 115 A Q H 3< S+ 0 0 99 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.018 112.6 48.7-129.7 26.3 2.2 -15.2 29.0 116 116 A S S << S- 0 0 16 -4,-0.5 0, 0.0 -3,-0.5 0, 0.0 -0.954 75.3-121.5-151.8 162.7 3.1 -12.8 26.2 117 117 A P S S+ 0 0 104 0, 0.0 2,-0.1 0, 0.0 388,-0.1 0.373 86.4 91.7 -83.1 6.4 5.9 -12.5 23.6 118 118 A H - 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