==== 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 4HLO . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.NOMME,A.LAVIE . 605 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 22.6 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 . 9 1.5 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 . 16 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 27.9 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 1 1 1 0 3 4 0 1 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 4 0 0 3 9 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 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 0 201 0, 0.0 2,-0.2 0, 0.0 169,-0.2 0.000 360.0 360.0 360.0 164.0 16.1 -28.1 -12.6 2 1 A M - 0 0 70 167,-1.2 169,-0.1 166,-0.3 263,-0.0 -0.646 360.0-109.7-101.7 149.4 15.5 -26.5 -9.2 3 2 A N - 0 0 88 -2,-0.2 -1,-0.0 1,-0.1 164,-0.0 -0.655 47.5-118.1 -69.1 125.2 14.2 -27.8 -5.8 4 3 A P - 0 0 29 0, 0.0 279,-0.5 0, 0.0 2,-0.3 -0.199 31.8-168.2 -65.7 156.9 10.7 -26.3 -5.4 5 4 A I E -AB 167 282A 0 162,-1.8 162,-1.5 277,-0.1 2,-0.4 -0.997 11.0-170.0-142.0 146.0 9.9 -23.9 -2.5 6 5 A V E -AB 166 281A 0 275,-1.9 275,-3.0 -2,-0.3 2,-0.4 -0.966 3.9-178.9-136.2 127.5 6.8 -22.4 -1.0 7 6 A V E +AB 165 280A 0 158,-2.3 158,-2.5 -2,-0.4 2,-0.3 -0.955 8.4 178.0-115.2 140.1 6.6 -19.7 1.5 8 7 A V E -AB 164 279A 0 271,-2.5 271,-1.6 -2,-0.4 2,-0.3 -0.898 5.6-164.6-133.5 163.0 3.2 -18.4 2.9 9 8 A H E -AB 163 278A 0 154,-1.9 154,-1.6 -2,-0.3 269,-0.3 -0.999 12.2-157.4-152.1 154.3 2.3 -15.8 5.5 10 9 A G - 0 0 0 267,-2.2 151,-0.1 -2,-0.3 150,-0.1 -0.122 61.1 -20.9-104.2-153.1 -0.5 -14.5 7.7 11 10 A G - 0 0 1 596,-0.1 2,-1.0 1,-0.1 -1,-0.2 -0.252 46.7-147.4 -63.0 134.2 -0.9 -11.0 9.3 12 11 A G + 0 0 4 264,-0.2 264,-0.2 245,-0.1 2,-0.2 -0.729 69.5 69.1 -99.0 81.8 2.1 -8.7 9.8 13 12 A A B S+J 275 0B 25 262,-1.4 262,-2.9 -2,-1.0 261,-0.4 -0.524 79.2 1.5-159.0-138.8 1.0 -7.0 13.0 14 13 A G S S- 0 0 9 143,-2.3 -1,-0.4 260,-0.2 261,-0.1 0.070 79.9 -67.5 -68.6 174.2 0.3 -7.5 16.7 15 14 A P - 0 0 72 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.296 46.1-122.8 -61.4 143.7 0.8 -10.6 19.0 16 15 A I - 0 0 17 -3,-0.1 5,-0.1 141,-0.1 275,-0.0 -0.796 29.4-118.5 -90.8 129.1 -1.5 -13.6 18.6 17 16 A S > - 0 0 45 -2,-0.5 4,-1.1 1,-0.1 3,-0.5 -0.328 23.0-111.4 -67.8 147.2 -3.4 -14.6 21.7 18 17 A K T >4 S+ 0 0 193 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.866 113.9 63.3 -38.5 -48.3 -2.9 -18.0 23.2 19 18 A D T >4 S+ 0 0 143 1,-0.2 3,-0.7 2,-0.1 4,-0.3 0.894 108.9 32.3 -42.8 -64.5 -6.4 -18.9 22.1 20 19 A R T 3> S+ 0 0 61 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.477 92.9 94.9 -82.4 -7.9 -6.0 -18.7 18.4 21 20 A K H S+ 0 0 115 -3,-0.7 4,-2.3 -4,-0.4 -1,-0.2 0.910 112.7 46.3 -76.1 -41.8 -3.3 -23.4 17.5 23 22 A R H > S+ 0 0 143 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.898 113.1 50.5 -64.4 -41.4 -5.7 -22.5 14.7 24 23 A V H X S+ 0 0 11 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.964 111.0 48.2 -58.5 -54.1 -3.1 -20.1 13.2 25 24 A H H X S+ 0 0 58 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.901 112.8 49.1 -50.5 -49.1 -0.4 -22.7 13.3 26 25 A Q H X S+ 0 0 72 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.862 109.4 52.0 -60.2 -43.1 -2.7 -25.3 11.7 27 26 A G H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.844 107.6 49.4 -66.9 -40.2 -3.8 -22.9 8.9 28 27 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.892 112.6 49.6 -63.4 -40.6 -0.3 -22.0 7.7 29 28 A V H X S+ 0 0 34 -4,-1.6 4,-2.9 -5,-0.2 5,-0.2 0.956 111.5 46.6 -65.7 -50.8 0.7 -25.7 7.6 30 29 A R H X S+ 0 0 138 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.880 113.8 52.5 -53.7 -39.4 -2.4 -26.6 5.5 31 30 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.951 113.2 39.4 -63.2 -55.0 -1.6 -23.6 3.3 32 31 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.862 112.8 56.7 -67.6 -36.4 2.0 -24.6 2.6 33 32 A T H X S+ 0 0 56 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.889 106.6 49.8 -63.9 -40.7 1.2 -28.3 2.3 34 33 A V H X S+ 0 0 66 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.912 114.3 46.9 -57.2 -43.5 -1.4 -27.5 -0.5 35 34 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.951 112.2 46.0 -66.2 -51.4 1.3 -25.4 -2.2 36 35 A Y H X S+ 0 0 18 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.856 107.5 62.2 -59.8 -40.5 4.2 -27.9 -2.0 37 36 A G H X S+ 0 0 17 -4,-1.9 4,-1.6 -5,-0.3 6,-0.2 0.929 103.6 45.2 -50.5 -58.3 1.8 -30.6 -3.2 38 37 A I H <>S+ 0 0 51 -4,-1.7 5,-2.6 1,-0.2 -1,-0.2 0.916 118.6 46.4 -50.4 -42.2 1.2 -28.9 -6.5 39 38 A L H ><5S+ 0 0 9 -4,-1.9 3,-0.8 1,-0.2 -2,-0.3 0.824 107.2 56.0 -72.5 -31.7 5.0 -28.4 -6.6 40 39 A R H 3<5S+ 0 0 122 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 109.6 48.3 -64.8 -30.1 5.7 -32.1 -5.6 41 40 A E T 3<5S- 0 0 170 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.351 127.0 -93.2-100.7 4.9 3.6 -33.3 -8.5 42 41 A G T < 5S+ 0 0 46 -3,-0.8 -3,-0.2 -4,-0.2 -4,-0.1 0.349 74.8 147.8 105.7 -2.9 5.2 -31.1 -11.2 43 42 A G < - 0 0 26 -5,-2.6 126,-0.4 -6,-0.2 -1,-0.1 0.207 47.1 -84.5 -65.1 178.7 2.8 -28.1 -11.1 44 43 A S > - 0 0 34 124,-0.1 4,-2.0 1,-0.1 -1,-0.1 -0.422 24.1-122.0 -86.1 158.3 3.3 -24.4 -11.7 45 44 A A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.898 116.1 50.2 -59.0 -43.3 4.6 -21.7 -9.4 46 45 A V H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.898 109.1 49.4 -64.2 -42.5 1.3 -19.8 -10.0 47 46 A D H > S+ 0 0 56 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.893 110.5 53.7 -65.7 -34.3 -0.9 -22.8 -9.3 48 47 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.867 114.0 39.2 -67.5 -40.0 1.1 -23.3 -6.1 49 48 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.858 116.1 50.7 -78.7 -36.1 0.5 -19.7 -4.8 50 49 A E H X S+ 0 0 38 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.985 112.4 51.3 -61.7 -54.0 -3.1 -19.7 -6.1 51 50 A G H >X S+ 0 0 13 -4,-3.4 4,-1.6 -5,-0.2 3,-0.8 0.908 111.0 44.0 -36.5 -65.2 -3.5 -23.0 -4.2 52 51 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.867 113.1 49.5 -61.6 -44.2 -2.1 -21.8 -0.8 53 52 A V H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.708 106.6 58.4 -66.8 -22.8 -4.0 -18.5 -0.7 54 53 A V H < S- 0 0 22 -4,-1.8 3,-2.2 -5,-0.2 5,-0.3 -0.503 72.1-146.2 -65.7 112.1 -10.1 -20.6 6.6 60 59 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 82,-0.1 0.730 92.7 69.7 -55.5 -20.2 -12.3 -18.2 8.8 61 60 A E T 3 S+ 0 0 22 -38,-0.1 2,-0.4 2,-0.1 6,-0.1 0.670 87.5 77.6 -74.6 -18.5 -9.2 -17.4 10.9 62 61 A F S < S- 0 0 4 -3,-2.2 2,-3.2 -6,-0.4 98,-0.2 -0.820 85.8-122.0-104.2 136.6 -7.5 -15.4 8.1 63 62 A N S S+ 0 0 0 -2,-0.4 117,-1.7 96,-0.3 118,-0.3 -0.316 85.8 85.2 -69.9 57.7 -8.3 -11.9 7.0 64 63 A A S S- 0 0 0 -2,-3.2 -2,-0.2 2,-0.5 116,-0.1 -0.957 97.2 -22.1-156.4 150.9 -9.1 -13.0 3.4 65 64 A G S > S+ 0 0 0 -2,-0.3 3,-1.8 2,-0.1 2,-0.3 -0.248 132.0 24.0 42.5-122.1 -12.3 -14.4 1.8 66 65 A C T 3 S+ 0 0 33 -9,-0.9 -2,-0.5 34,-0.3 -4,-0.3 -0.506 133.8 27.4 -65.8 125.0 -14.3 -15.8 4.6 67 66 A G T 3 S+ 0 0 3 73,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.451 83.3 149.8 97.2 1.6 -13.3 -14.1 7.9 68 67 A S < - 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