==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-11 3USV . COMPND 2 MOLECULE: PAPAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CARICA PAPAYA; . AUTHOR S.ROY,D.CHOUDHURY,S.BISWAS,J.K.DATTAGUPTA . 616 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.1 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 . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 67 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 3 0 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 8 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 12 A L 0 0 120 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.9 -30.7 -21.1 22.5 2 13 A T + 0 0 116 4,-0.0 2,-0.6 3,-0.0 5,-0.1 0.569 360.0 98.1 -81.5 -11.8 -34.3 -20.6 23.8 3 14 A S - 0 0 57 1,-0.2 3,-0.2 3,-0.1 4,-0.0 -0.722 67.7-150.3 -82.4 116.6 -33.1 -21.4 27.4 4 15 A T S > S+ 0 0 95 -2,-0.6 3,-1.1 1,-0.2 4,-0.2 0.890 94.8 47.2 -51.5 -50.0 -32.5 -18.1 29.2 5 16 A E G > S+ 0 0 95 1,-0.2 3,-1.2 2,-0.1 -1,-0.2 0.857 104.2 61.5 -63.7 -36.7 -29.8 -19.5 31.5 6 17 A R G 3 S+ 0 0 69 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.169 85.2 78.8 -79.5 17.7 -27.9 -21.2 28.6 7 18 A L G X> S+ 0 0 56 -3,-1.1 3,-0.9 1,-0.1 4,-0.6 0.555 72.7 81.7 -99.5 -12.8 -27.2 -17.9 26.8 8 19 A I H <> S+ 0 0 75 -3,-1.2 4,-1.0 1,-0.2 3,-0.3 0.846 76.7 62.5 -63.9 -41.6 -24.3 -16.9 29.1 9 20 A Q H 3> S+ 0 0 73 1,-0.2 4,-5.0 2,-0.2 -1,-0.2 0.647 92.5 71.3 -63.3 -12.0 -21.4 -18.8 27.6 10 21 A L H <> S+ 0 0 52 -3,-0.9 4,-5.0 2,-0.3 5,-0.3 0.994 90.1 54.3 -64.4 -62.7 -21.8 -16.8 24.4 11 22 A F H X S+ 0 0 76 -4,-0.6 4,-0.8 -3,-0.3 -1,-0.2 0.889 117.9 42.8 -35.2 -44.6 -20.5 -13.5 25.9 12 23 A E H X S+ 0 0 68 -4,-1.0 4,-1.0 2,-0.1 -2,-0.3 0.997 123.7 32.8 -64.5 -73.5 -17.7 -15.9 26.6 13 24 A S H X S+ 0 0 74 -4,-5.0 4,-0.6 2,-0.2 -2,-0.2 0.828 119.6 52.1 -54.2 -41.0 -17.6 -17.7 23.3 14 25 A W H >X S+ 0 0 64 -4,-5.0 3,-1.7 1,-0.2 4,-0.6 0.996 106.2 47.4 -60.8 -72.4 -18.7 -14.7 21.1 15 26 A M H 3< S+ 0 0 38 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.632 96.3 74.8 -43.5 -27.5 -16.2 -11.9 22.2 16 27 A L H 3< S+ 0 0 80 -4,-1.0 3,-0.4 -5,-0.2 -1,-0.3 0.849 97.6 46.6 -57.6 -40.9 -13.1 -14.2 21.9 17 28 A K H << S+ 0 0 96 -3,-1.7 2,-0.8 -4,-0.6 -2,-0.2 0.990 124.1 24.5 -65.8 -67.9 -13.2 -14.1 18.1 18 29 A H S < S- 0 0 80 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 -0.647 127.5 -48.8-106.3 73.8 -13.6 -10.4 17.4 19 30 A N - 0 0 79 -2,-0.8 2,-0.4 -3,-0.4 -1,-0.3 0.548 39.7-141.9 77.4 141.4 -12.3 -8.6 20.5 20 31 A K + 0 0 85 -4,-0.1 -1,-0.1 -3,-0.1 -4,-0.0 -0.946 57.5 101.5-134.9 107.3 -12.7 -8.8 24.2 21 32 A I + 0 0 96 -2,-0.4 7,-0.1 3,-0.0 -2,-0.0 0.250 39.3 178.5-146.7 -87.5 -12.8 -5.4 26.0 22 33 A Y - 0 0 81 1,-0.1 3,-0.1 6,-0.1 -2,-0.0 -0.053 44.0 -86.1 91.8 172.3 -16.0 -3.5 27.3 23 34 A K S S- 0 0 74 1,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.957 80.2 -75.9 -79.1 -59.2 -16.7 -0.3 29.1 24 35 A N >> - 0 0 64 1,-0.1 4,-1.7 0, 0.0 5,-0.6 -0.935 62.9 -51.9 173.5 179.9 -16.4 -1.5 32.7 25 36 A I T 45S+ 0 0 105 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.797 128.4 20.4 -39.8 -54.7 -18.2 -3.5 35.3 26 37 A D T 45S+ 0 0 88 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.932 126.9 43.5 -84.6 -57.6 -21.7 -1.8 35.3 27 38 A E T >45S+ 0 0 50 1,-0.2 3,-1.3 2,-0.2 -2,-0.1 0.859 109.7 53.6 -59.8 -47.8 -21.9 -0.0 31.9 28 39 A K G ><5S+ 0 0 17 -4,-1.7 3,-5.5 1,-0.3 4,-0.5 0.970 94.8 66.8 -58.1 -54.7 -20.5 -2.7 29.6 29 40 A I G > S+ 0 0 62 -3,-1.3 4,-0.7 -4,-0.4 3,-0.6 0.588 78.5 72.7 -68.2 -14.2 -25.4 -3.1 29.1 31 42 A R G <4 S+ 0 0 58 -3,-5.5 3,-0.4 1,-0.2 -1,-0.3 0.837 95.4 55.3 -67.3 -30.2 -23.9 -4.3 25.8 32 43 A F G X4 S+ 0 0 70 -3,-1.2 3,-0.5 -4,-0.5 -1,-0.2 0.581 96.1 64.9 -77.4 -14.4 -25.8 -7.5 26.6 33 44 A E T <4 S+ 0 0 79 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.753 106.8 37.3 -84.3 -25.3 -29.2 -5.7 27.0 34 45 A I T 3< S+ 0 0 73 -4,-0.7 -1,-0.2 -3,-0.4 31,-0.1 -0.132 115.4 52.3-118.6 37.0 -29.6 -4.6 23.4 35 46 A F S X S+ 0 0 32 -3,-0.5 3,-1.4 26,-0.0 4,-0.2 0.106 81.0 97.2-143.6 -1.9 -28.1 -7.6 21.7 36 47 A K T 3 S+ 0 0 83 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.877 85.5 48.1 -60.4 -38.9 -30.4 -9.9 23.7 37 48 A D T 3> S+ 0 0 60 1,-0.2 4,-1.9 -4,-0.2 -1,-0.3 -0.208 73.4 130.2 -97.6 41.7 -32.8 -10.0 20.8 38 49 A N T X4 S+ 0 0 36 -3,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.990 79.2 37.7 -53.7 -66.8 -30.0 -10.8 18.3 39 50 A L T 3> S+ 0 0 68 -3,-0.3 4,-3.2 1,-0.3 3,-0.3 0.697 107.2 65.4 -60.4 -23.8 -31.9 -13.7 16.7 40 51 A K T 34 S+ 0 0 75 1,-0.3 2,-2.0 2,-0.2 4,-0.5 0.941 95.6 62.0 -64.8 -41.2 -35.2 -11.9 17.0 41 52 A Y T << S+ 0 0 82 -4,-1.9 -1,-0.3 -3,-0.8 -4,-0.0 -0.510 127.2 6.6 -80.1 69.7 -33.7 -9.4 14.5 42 53 A I T >>S+ 0 0 20 -2,-2.0 4,-3.7 -3,-0.3 5,-0.6 -0.179 89.4 113.9 154.1 -50.9 -33.3 -12.1 11.8 43 54 A D T <5S+ 0 0 75 -4,-3.2 4,-0.2 1,-0.3 -3,-0.1 0.653 110.8 3.7 -16.1 -48.8 -35.0 -15.2 13.0 44 55 A E T >5S+ 0 0 59 -4,-0.5 4,-1.0 2,-0.2 -1,-0.3 0.567 115.6 82.5-116.3 -27.5 -37.5 -14.8 10.3 45 56 A T T 45S+ 0 0 63 -5,-0.3 -2,-0.2 1,-0.3 -4,-0.1 0.811 106.1 40.6 -46.9 -24.2 -35.9 -11.8 8.7 46 57 A N T <5S+ 0 0 47 -4,-3.7 -1,-0.3 1,-0.2 -2,-0.2 0.849 96.7 73.0 -88.1 -45.7 -34.1 -14.7 7.3 47 58 A K T 4 S- 0 0 50 -4,-0.2 3,-3.1 1,-0.1 4,-0.3 0.098 106.9 -74.5 -49.7 166.6 -28.2 2.2 18.5 66 77 A E T > S+ 0 0 93 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.621 121.4 87.4 -36.9 -19.4 -25.9 5.3 18.5 67 78 A F T >> + 0 0 30 1,-0.3 3,-1.8 -6,-0.2 4,-1.6 0.787 68.7 71.6 -54.1 -34.9 -23.6 2.9 16.6 68 79 A K H <>>S+ 0 0 25 -3,-3.1 4,-0.9 -5,-0.3 5,-0.8 0.780 96.4 53.6 -55.9 -26.7 -25.3 4.0 13.3 69 80 A E H <45S+ 0 0 69 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.695 103.9 57.2 -79.4 -22.2 -23.4 7.2 13.9 70 81 A K H <45S+ 0 0 61 -3,-1.8 49,-0.3 -4,-0.4 -2,-0.2 0.982 117.9 28.8 -66.1 -73.5 -20.3 5.2 14.2 71 82 A Y H ><5S+ 0 0 70 -4,-1.6 3,-0.7 1,-0.2 -2,-0.1 0.953 130.8 32.9 -48.4 -85.1 -20.6 3.5 10.8 72 83 A T T 3<5S+ 0 0 29 -4,-0.9 2,-3.2 1,-0.2 -3,-0.2 0.919 88.1 121.3 -38.1 -58.6 -22.4 6.0 8.6 73 84 A G T 3 < + 0 0 16 -5,-0.8 -1,-0.2 -6,-0.1 -2,-0.1 0.080 53.2 76.7 27.7 -48.5 -20.7 8.7 10.6 74 85 A S S < S+ 0 0 9 -2,-3.2 89,-0.1 -3,-0.7 3,-0.1 0.057 86.6 11.8 -77.9-173.5 -18.9 10.4 7.7 75 86 A I S S+ 0 0 33 87,-0.8 88,-0.1 82,-0.2 3,-0.1 -0.128 79.8 111.7 43.0-129.3 -19.9 12.8 4.9 76 87 A A + 0 0 81 1,-0.1 2,-0.4 85,-0.1 -1,-0.1 -0.365 39.8 91.5 67.0-149.7 -23.3 14.1 5.7 77 88 A G S S+ 0 0 88 -3,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.502 96.6 3.1 67.0-118.4 -23.5 17.8 6.6 78 89 A N S S- 0 0 88 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.537 106.3 -60.5 -95.4 167.1 -24.1 19.7 3.4 79 90 A Y - 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