==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, APOPTOSIS 10-JUN-08 3DEJ . COMPND 2 MOLECULE: CASPASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WU,J.DU,J.LI,J.DING . 930 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 673 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 9.0 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 . 8 0.9 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 . 92 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 1 3 0 0 0 0 0 1 9 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 0 0 6 8 0 2 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 9 3 7 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 ANTIPARALLEL BRIDGES PER LADDER . 5 4 0 0 0 0 0 0 0 0 2 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 34 A D 0 0 154 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 170.1 -19.7 -5.6 10.1 2 35 A N + 0 0 55 226,-0.1 227,-3.1 2,-0.1 2,-0.3 0.731 360.0 51.4 -92.7 -28.5 -23.1 -4.1 9.8 3 36 A S B S-a 229 0A 32 225,-0.3 227,-0.2 227,-0.0 -1,-0.0 -0.866 87.8-103.6-117.0 144.8 -22.4 -0.5 8.8 4 37 A Y - 0 0 9 225,-3.0 2,-0.9 -2,-0.3 227,-0.3 -0.350 41.3-105.1 -64.0 147.0 -20.2 0.9 6.0 5 38 A K + 0 0 105 1,-0.1 3,-0.3 74,-0.1 -1,-0.1 -0.660 47.3 169.5 -70.0 105.2 -16.8 2.3 7.1 6 39 A M + 0 0 15 -2,-0.9 -1,-0.1 228,-0.2 73,-0.1 -0.000 52.6 85.6-109.6 28.8 -17.5 6.1 6.8 7 40 A D + 0 0 93 227,-0.1 -1,-0.2 72,-0.1 4,-0.1 0.066 52.2 131.8-119.8 23.5 -14.3 7.3 8.5 8 41 A Y S S- 0 0 75 -3,-0.3 71,-0.2 2,-0.2 69,-0.1 -0.256 81.5 -91.0 -60.8 162.0 -11.8 7.4 5.6 9 42 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 69,-0.2 0.837 112.9 27.8 -47.7 -35.9 -9.8 10.6 5.3 10 43 A E E -b 78 0B 95 67,-2.6 69,-3.2 1,-0.1 70,-0.2 -0.975 66.4-139.1-133.3 146.5 -12.6 11.9 3.0 11 44 A M E - 0 0 21 38,-0.6 69,-3.1 -2,-0.3 2,-0.3 0.956 61.5-119.5 -56.8 -55.9 -16.4 11.3 2.5 12 45 A G E -b 80 0B 2 37,-0.4 39,-2.5 67,-0.2 2,-0.2 -0.845 34.3 -37.9 143.7-175.8 -16.0 11.3 -1.3 13 46 A L E -bc 81 51B 0 67,-0.5 69,-2.5 -2,-0.3 2,-0.4 -0.551 35.9-166.2 -77.2 145.4 -17.0 13.0 -4.6 14 47 A C E -bc 82 52B 0 37,-2.2 39,-2.0 -2,-0.2 2,-0.5 -0.835 11.7-167.6-128.1 93.5 -20.4 14.3 -5.1 15 48 A I E -bc 83 53B 1 67,-2.5 69,-3.2 -2,-0.4 2,-0.6 -0.707 1.7-163.3 -83.2 129.9 -20.8 15.0 -8.8 16 49 A I E -bc 84 54B 0 37,-2.4 39,-3.1 -2,-0.5 2,-0.7 -0.935 3.4-167.2-115.8 107.6 -23.9 17.1 -9.8 17 50 A I E -bc 85 55B 1 67,-2.8 69,-2.7 -2,-0.6 2,-0.6 -0.856 12.2-179.5 -93.7 113.0 -24.9 17.0 -13.5 18 51 A N E -bc 86 56B 0 37,-3.0 39,-2.1 -2,-0.7 2,-0.7 -0.912 7.7-170.3-120.9 104.9 -27.4 19.7 -14.0 19 52 A N + 0 0 0 67,-2.6 12,-0.1 -2,-0.6 69,-0.1 -0.848 20.7 153.2-104.3 110.6 -28.9 20.2 -17.5 20 53 A K + 0 0 63 -2,-0.7 11,-2.3 1,-0.2 2,-0.4 0.867 62.5 46.3 -95.1 -50.4 -31.0 23.3 -18.1 21 54 A N - 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