==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 09-MAR-09 3GJT . COMPND 2 MOLECULE: CASPASE-3 SUBUNIT P17; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.FANG,G.FU,J.AGNISWAMY,R.W.HARRISON,I.T.WEBER . 473 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 11.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 49 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0 2 0 0 0 0 0 0 2 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 3 7 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 4 0 0 0 0 0 0 0 0 1 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 0 172 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.8 -12.7 59.8 28.4 2 35 A N + 0 0 41 226,-0.1 227,-3.2 2,-0.1 2,-0.4 0.156 360.0 79.1 -98.0 16.5 -9.6 57.6 29.1 3 36 A S B S-a 229 0A 41 225,-0.3 227,-0.2 227,-0.0 3,-0.1 -0.975 86.2-107.9-130.0 141.6 -10.9 57.0 32.6 4 37 A Y - 0 0 10 225,-2.2 2,-0.6 -2,-0.4 227,-0.2 -0.306 44.4-101.9 -61.8 145.3 -13.6 54.8 34.1 5 38 A K + 0 0 109 1,-0.1 3,-0.2 74,-0.1 -1,-0.1 -0.605 47.4 169.7 -71.0 116.2 -16.7 56.5 35.3 6 39 A M + 0 0 35 -2,-0.6 -1,-0.1 1,-0.1 73,-0.1 0.067 54.2 85.2-117.2 23.1 -16.3 56.7 39.1 7 40 A D + 0 0 111 72,-0.1 -1,-0.1 71,-0.1 4,-0.1 -0.005 54.2 130.6-113.3 28.0 -19.2 59.1 39.8 8 41 A Y S S- 0 0 74 -3,-0.2 71,-0.1 2,-0.2 70,-0.1 -0.226 79.5 -93.5 -69.4 172.6 -22.0 56.6 40.1 9 42 A P S S+ 0 0 95 0, 0.0 2,-0.4 0, 0.0 69,-0.2 0.924 113.0 30.2 -54.3 -45.6 -24.3 56.9 43.1 10 43 A E E S-b 78 0B 79 67,-2.6 69,-2.7 1,-0.1 70,-0.2 -0.904 70.5-140.0-117.7 142.9 -22.1 54.3 45.0 11 44 A M E - 0 0 26 38,-0.7 69,-2.0 -2,-0.4 2,-0.2 0.911 60.4-113.9 -64.5 -40.0 -18.4 53.5 44.6 12 45 A G E -b 80 0B 2 37,-0.4 39,-2.3 67,-0.2 -1,-0.2 -0.774 36.4 -45.2 134.2-178.8 -19.2 49.8 44.9 13 46 A L E -bc 81 51B 0 67,-0.7 69,-2.3 -2,-0.2 2,-0.4 -0.534 32.8-160.3 -88.1 152.5 -18.7 46.8 47.1 14 47 A C E -bc 82 52B 0 37,-2.1 39,-2.7 -2,-0.2 2,-0.6 -0.882 11.4-167.9-133.8 99.2 -15.4 45.7 48.7 15 48 A I E -bc 83 53B 2 67,-2.6 69,-3.5 -2,-0.4 2,-0.6 -0.800 2.1-169.5 -91.9 121.5 -15.6 42.0 49.7 16 49 A I E -bc 84 54B 0 37,-2.4 39,-2.2 -2,-0.6 2,-0.8 -0.954 6.5-165.6-116.5 117.4 -12.8 40.9 52.0 17 50 A I E -bc 85 55B 3 67,-3.0 69,-3.0 -2,-0.6 2,-0.7 -0.898 9.3-172.9-103.3 109.0 -12.3 37.2 52.6 18 51 A N E -bc 86 56B 1 37,-2.8 39,-2.3 -2,-0.8 2,-0.7 -0.878 3.2-176.8-109.6 100.7 -10.0 36.8 55.6 19 52 A N + 0 0 0 67,-2.7 3,-0.1 -2,-0.7 69,-0.1 -0.874 19.0 150.2-101.5 111.5 -9.1 33.2 56.2 20 53 A K + 0 0 55 -2,-0.7 11,-2.3 1,-0.2 2,-0.5 0.803 59.6 51.9-106.3 -44.7 -6.9 32.7 59.4 21 54 A N - 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