==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-12 4HLP . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.NOMME,A.LAVIE . 594 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 22.4 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 0 0 0 2 0 0 5 3 0 0 2 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 5 9 4 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 2 0 0 0 0 2 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 0 A H 0 0 205 0, 0.0 2,-0.3 0, 0.0 164,-0.2 0.000 360.0 360.0 360.0 166.9 17.0 -28.3 -12.7 2 1 A M - 0 0 63 162,-2.0 164,-0.1 161,-0.2 258,-0.1 -0.645 360.0-122.4 -88.1 135.7 16.0 -26.3 -9.6 3 2 A N - 0 0 97 -2,-0.3 159,-0.0 1,-0.1 -1,-0.0 -0.669 44.2-122.9 -64.2 125.0 15.0 -27.8 -6.3 4 3 A P - 0 0 26 0, 0.0 274,-0.5 0, 0.0 2,-0.3 -0.265 32.1-174.6 -75.8 165.3 11.6 -26.2 -5.9 5 4 A I E -A 162 0A 0 157,-1.9 157,-1.9 272,-0.1 2,-0.4 -0.985 13.7-165.4-157.4 145.8 10.5 -24.1 -2.9 6 5 A V E -AB 161 276A 0 270,-1.5 270,-2.1 -2,-0.3 2,-0.4 -0.999 3.7-171.1-133.3 135.0 7.5 -22.3 -1.5 7 6 A V E -AB 160 275A 0 153,-2.4 153,-2.4 -2,-0.4 2,-0.3 -0.969 10.6-172.7-119.2 141.3 7.4 -19.7 1.3 8 7 A V E -AB 159 274A 0 266,-3.1 266,-2.1 -2,-0.4 2,-0.3 -0.964 6.5-163.9-131.1 148.6 4.0 -18.5 2.7 9 8 A H E -AB 158 273A 0 149,-2.5 149,-2.0 -2,-0.3 264,-0.2 -0.991 17.3-156.5-132.1 150.2 3.0 -15.8 5.2 10 9 A G - 0 0 14 262,-2.3 53,-0.3 -2,-0.3 147,-0.1 0.051 59.7 -92.8-108.5 23.1 -0.1 -15.1 7.2 11 10 A G - 0 0 2 261,-0.3 2,-0.3 260,-0.1 -1,-0.3 0.066 46.1 -62.4 94.7 161.1 0.4 -11.4 7.6 12 11 A G + 0 0 31 259,-0.2 2,-0.3 240,-0.1 259,-0.2 -0.679 60.0 164.7 -81.9 136.2 1.9 -8.9 10.0 13 12 A A B -J 270 0B 34 257,-1.3 257,-2.3 -2,-0.3 256,-0.2 -0.935 33.0-125.9-144.7 164.2 0.3 -8.9 13.4 14 13 A G S S- 0 0 32 1,-0.3 2,-0.2 -2,-0.3 -1,-0.2 0.355 75.3 -19.7 -81.6-137.8 1.0 -7.7 17.0 15 14 A P - 0 0 120 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 -0.534 67.5-146.7 -72.5 137.8 0.9 -10.1 20.0 16 15 A I - 0 0 19 -2,-0.2 5,-0.0 -3,-0.1 -3,-0.0 -0.932 15.2-117.5-115.4 128.5 -1.0 -13.3 19.4 17 16 A S >> - 0 0 60 -2,-0.5 4,-1.8 1,-0.1 3,-0.9 -0.298 32.0-107.8 -63.7 143.9 -3.0 -15.1 22.1 18 17 A K H 3> S+ 0 0 197 1,-0.3 4,-0.7 2,-0.2 3,-0.1 0.798 115.1 42.7 -38.8 -58.6 -1.9 -18.6 23.0 19 18 A D H 3> S+ 0 0 105 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.789 110.4 56.4 -66.3 -32.8 -4.8 -20.6 21.4 20 19 A R H <> S+ 0 0 47 -3,-0.9 4,-3.0 1,-0.2 5,-0.3 0.907 97.9 62.6 -64.8 -43.3 -4.8 -18.5 18.2 21 20 A K H X S+ 0 0 60 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.811 102.2 52.8 -51.2 -34.2 -1.1 -19.3 17.6 22 21 A E H X S+ 0 0 103 -4,-0.7 4,-2.6 -3,-0.3 -1,-0.2 0.916 111.3 42.3 -69.9 -46.8 -2.1 -23.0 17.3 23 22 A R H X S+ 0 0 85 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.835 115.9 50.9 -70.4 -32.8 -4.8 -22.5 14.7 24 23 A V H X S+ 0 0 4 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.925 110.2 49.9 -64.2 -45.9 -2.5 -20.0 12.9 25 24 A H H X S+ 0 0 61 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.926 110.5 50.0 -55.2 -47.9 0.2 -22.7 13.0 26 25 A Q H X S+ 0 0 91 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.926 110.9 50.5 -55.7 -48.5 -2.3 -25.2 11.6 27 26 A G H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.887 109.4 48.2 -57.6 -48.1 -3.1 -22.8 8.8 28 27 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.927 109.1 53.8 -60.7 -47.7 0.4 -22.1 7.7 29 28 A V H X S+ 0 0 40 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.938 111.3 44.9 -53.2 -53.1 1.4 -25.8 7.6 30 29 A R H X S+ 0 0 114 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.887 112.0 52.6 -60.1 -42.9 -1.5 -26.6 5.3 31 30 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.927 112.7 43.3 -59.3 -48.8 -0.9 -23.6 3.0 32 31 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.856 113.3 54.7 -64.8 -35.3 2.8 -24.6 2.6 33 32 A T H X S+ 0 0 61 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.941 107.5 47.7 -62.7 -50.9 1.7 -28.2 2.1 34 33 A V H X S+ 0 0 64 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.913 117.1 44.7 -55.4 -46.3 -0.7 -27.4 -0.7 35 34 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.912 114.2 46.6 -66.2 -46.1 2.0 -25.3 -2.4 36 35 A Y H X S+ 0 0 13 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.815 108.0 57.0 -68.1 -32.9 4.8 -27.8 -2.0 37 36 A G H < S+ 0 0 32 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.854 107.4 49.5 -63.3 -36.6 2.6 -30.7 -3.2 38 37 A I H ><>S+ 0 0 48 -4,-1.2 5,-2.4 -5,-0.2 3,-0.7 0.903 113.9 44.4 -67.4 -44.6 2.1 -28.7 -6.4 39 38 A L H ><5S+ 0 0 3 -4,-1.8 3,-1.2 1,-0.2 125,-0.2 0.814 107.3 59.1 -70.5 -33.8 5.8 -28.1 -6.9 40 39 A R T 3<5S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.572 107.4 48.4 -71.5 -13.1 6.8 -31.7 -6.0 41 40 A E T < 5S- 0 0 174 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 -0.055 127.4 -93.1-114.4 29.7 4.6 -32.9 -8.9 42 41 A G T < 5S+ 0 0 47 -3,-1.2 -3,-0.2 1,-0.2 2,-0.2 0.817 73.3 153.0 61.5 32.7 6.0 -30.5 -11.6 43 42 A G < - 0 0 14 -5,-2.4 121,-0.4 1,-0.1 -1,-0.2 -0.571 47.4 -99.9 -82.3 158.2 3.3 -27.8 -11.1 44 43 A S > - 0 0 35 -2,-0.2 4,-1.9 119,-0.1 -1,-0.1 -0.219 22.1-112.8 -76.8 167.7 4.3 -24.2 -11.9 45 44 A A H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.898 121.1 51.7 -64.3 -40.5 5.4 -21.5 -9.5 46 45 A V H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 109.2 49.4 -61.7 -43.5 2.2 -19.6 -10.4 47 46 A D H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 111.9 50.6 -61.1 -38.8 0.1 -22.7 -9.6 48 47 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.888 111.1 44.1 -69.3 -45.7 2.0 -23.1 -6.3 49 48 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.886 115.2 50.8 -67.6 -37.7 1.5 -19.5 -5.0 50 49 A E H X S+ 0 0 40 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.932 110.6 48.3 -63.2 -48.7 -2.1 -19.6 -6.1 51 50 A G H X S+ 0 0 14 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.920 111.5 49.2 -57.4 -46.7 -2.8 -22.9 -4.3 52 51 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.861 112.4 47.5 -63.1 -40.0 -1.2 -21.8 -1.0 53 52 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.760 104.8 58.8 -77.7 -27.3 -3.1 -18.5 -0.9 54 53 A V H X S+ 0 0 26 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.915 103.6 54.3 -64.7 -40.9 -6.5 -20.2 -1.7 55 54 A A H X S+ 0 0 23 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.876 111.4 43.7 -57.8 -41.4 -5.9 -22.3 1.5 56 55 A L H < S+ 0 0 0 -4,-1.1 6,-0.4 2,-0.2 -1,-0.2 0.834 112.4 52.3 -76.6 -33.2 -5.4 -19.1 3.5 57 56 A E H < S+ 0 0 0 -4,-2.3 9,-2.0 1,-0.2 -2,-0.2 0.881 111.3 48.4 -62.6 -38.4 -8.4 -17.4 1.8 58 57 A D H < S+ 0 0 97 -4,-2.8 -2,-0.2 7,-0.2 -1,-0.2 0.672 96.8 82.1 -76.8 -18.4 -10.5 -20.5 2.7 59 58 A D >< - 0 0 21 -4,-0.8 3,-2.4 -5,-0.2 5,-0.2 -0.820 70.0-151.1 -97.0 111.0 -9.3 -20.5 6.4 60 59 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.525 89.5 76.9 -58.9 -7.4 -11.3 -17.9 8.5 61 60 A E T 3 S+ 0 0 24 -38,-0.1 2,-0.4 2,-0.1 6,-0.1 0.611 88.7 71.1 -76.5 -11.3 -8.2 -17.5 10.8 62 61 A F S < S- 0 0 5 -3,-2.4 2,-2.4 4,-0.4 95,-0.1 -0.883 86.7-118.2-120.2 140.9 -6.6 -15.3 8.1 63 62 A N S S+ 0 0 31 -2,-0.4 112,-1.1 -53,-0.3 113,-0.4 -0.444 88.4 73.2 -73.7 72.2 -7.3 -11.8 6.9 64 63 A A S S- 0 0 0 -2,-2.4 -2,-0.2 2,-0.3 111,-0.1 -0.820 99.7 -12.0-176.7 145.2 -8.2 -12.7 3.3 65 64 A G S > S+ 0 0 0 -2,-0.2 3,-1.5 109,-0.2 2,-0.3 -0.329 130.9 19.3 56.8-129.9 -11.2 -14.4 1.7 66 65 A C T 3 S+ 0 0 35 -9,-2.0 -4,-0.4 34,-0.3 -2,-0.3 -0.567 134.9 30.9 -65.9 123.7 -13.4 -15.9 4.4 67 66 A G T 3 S+ 0 0 1 73,-2.9 -1,-0.2 -2,-0.3 74,-0.1 0.554 82.8 155.0 100.9 9.4 -12.3 -14.0 7.6 68 67 A S < - 0 0 0 -3,-1.5 74,-0.3 72,-0.4 -1,-0.3 -0.421 51.6-100.6 -65.9 142.7 -11.3 -10.7 5.9 69 68 A V - 0 0 9 107,-0.1 8,-0.4 -2,-0.1 2,-0.3 -0.242 41.7-114.8 -57.7 154.4 -11.5 -7.6 8.1 70 69 A L - 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