==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-11 3U8E . COMPND 2 MOLECULE: PAPAIN-LIKE CYSTEINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CROCUS SATIVUS; . AUTHOR S.IQBAL,A.AKREM,F.BUCK,M.PERBANDT,S.BANUMATHI,C.BETZEL . 216 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 17.6 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 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 . 15 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 1 0 0 1 1 0 1 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 . 5 1 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A A 0 0 86 0, 0.0 115,-0.1 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0 159.7 -8.5 -19.4 -18.6 2 2 A P - 0 0 69 0, 0.0 3,-0.1 0, 0.0 117,-0.0 -0.213 360.0-111.7 -67.8 163.5 -5.1 -18.3 -20.2 3 3 A A S S+ 0 0 91 1,-0.2 2,-0.3 163,-0.0 0, 0.0 0.769 96.5 3.4 -68.7 -24.0 -2.5 -20.7 -21.3 4 4 A S - 0 0 71 161,-0.1 2,-0.3 115,-0.0 161,-0.2 -0.985 59.9-179.4-154.9 160.5 -0.2 -19.6 -18.6 5 5 A I E -A 164 0A 23 159,-2.4 159,-2.1 -2,-0.3 2,-0.3 -0.953 8.1-170.4-155.1 148.6 0.0 -17.2 -15.6 6 6 A D E > -A 163 0A 29 -2,-0.3 3,-1.6 157,-0.2 4,-0.4 -0.824 6.0-166.4-142.0 102.2 2.7 -16.4 -13.1 7 7 A W G > >S+ 0 0 22 155,-3.2 5,-2.0 -2,-0.3 3,-0.6 0.692 86.1 70.0 -65.1 -15.8 1.4 -14.2 -10.2 8 8 A R G > 5S+ 0 0 88 154,-0.3 3,-0.7 1,-0.2 -1,-0.3 0.847 100.3 47.7 -66.2 -33.6 5.0 -13.5 -9.2 9 9 A K G < 5S+ 0 0 173 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.550 107.6 58.8 -80.1 -9.2 5.3 -11.3 -12.3 10 10 A K G < 5S- 0 0 121 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.144 115.9-107.1-109.0 13.9 2.0 -9.6 -11.5 11 11 A G T < 5S+ 0 0 42 -3,-0.7 -3,-0.2 2,-0.1 -2,-0.1 0.770 89.7 109.0 75.8 26.9 3.0 -8.2 -8.1 12 12 A A < + 0 0 2 -5,-2.0 2,-0.4 150,-0.1 27,-0.2 0.374 57.0 77.0-118.6 11.4 0.9 -10.6 -6.0 13 13 A V - 0 0 20 -6,-0.3 2,-0.1 -5,-0.2 3,-0.1 -0.980 61.6-151.7-131.0 127.3 3.6 -12.9 -4.3 14 14 A T - 0 0 11 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.308 43.3 -63.2 -83.9 174.5 5.9 -12.0 -1.4 15 15 A S - 0 0 77 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.181 60.8 -93.9 -54.1 154.0 9.3 -13.3 -0.6 16 16 A V - 0 0 22 171,-0.2 166,-0.2 -3,-0.1 2,-0.2 -0.534 44.0-146.2 -68.8 131.5 9.8 -17.0 0.1 17 17 A K - 0 0 36 161,-0.4 164,-2.5 -2,-0.3 2,-0.5 -0.589 2.9-138.6 -98.4 160.9 9.7 -17.7 3.9 18 18 A D B -I 180 0B 92 162,-0.2 162,-0.2 -2,-0.2 161,-0.0 -0.919 13.7-174.6-124.2 106.5 11.7 -20.3 5.8 19 19 A Q - 0 0 29 160,-2.8 161,-0.1 -2,-0.5 -1,-0.1 0.729 22.8-163.4 -75.2 -15.2 9.8 -22.2 8.5 20 20 A G - 0 0 47 159,-0.2 2,-1.1 1,-0.2 -1,-0.2 -0.350 56.4 -33.4 66.4-153.9 12.7 -24.1 9.8 21 21 A A S S- 0 0 111 -2,-0.0 -1,-0.2 3,-0.0 2,-0.0 -0.723 86.9-166.3 -99.2 82.6 12.1 -27.1 12.0 22 22 A a - 0 0 42 -2,-1.1 3,-0.2 1,-0.1 65,-0.2 -0.299 35.9-150.6 -83.3 152.1 9.1 -25.6 13.6 23 23 A G S S- 0 0 50 63,-2.2 2,-0.3 1,-0.3 64,-0.2 0.813 95.6 -2.8 -75.2 -36.7 7.1 -26.6 16.6 24 24 A M S S+ 0 0 54 62,-2.3 -1,-0.3 1,-0.1 62,-0.1 -0.831 75.3 134.3-162.1 112.3 3.9 -25.2 15.1 25 25 A a > + 0 0 9 -2,-0.3 3,-1.0 -3,-0.2 -3,-0.1 -0.089 18.7 139.0-156.1 43.2 3.8 -23.4 11.8 26 26 A W T 3 + 0 0 32 1,-0.2 132,-0.2 24,-0.1 4,-0.2 0.529 56.5 74.5 -77.7 -9.4 0.8 -24.9 9.8 27 27 A A T 3> + 0 0 1 23,-0.2 4,-1.9 2,-0.1 3,-0.5 0.429 61.7 108.7 -91.9 -1.8 -0.5 -21.6 8.3 28 28 A F T <4 S+ 0 0 14 -3,-1.0 2,-0.8 1,-0.2 130,-0.2 -0.375 77.7 41.1 -67.7 152.9 2.1 -21.0 5.6 29 29 A G T > S+ 0 0 9 1,-0.1 4,-1.2 149,-0.1 -1,-0.2 -0.398 114.8 55.2 97.3 -50.0 0.4 -21.6 2.3 30 30 A A H > S+ 0 0 0 -2,-0.8 4,-2.1 -3,-0.5 -2,-0.2 0.924 101.8 57.4 -74.8 -39.7 -2.7 -19.9 3.6 31 31 A T H X S+ 0 0 7 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.926 105.2 49.7 -59.7 -44.9 -0.8 -16.8 4.4 32 32 A G H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.833 106.8 55.7 -65.8 -31.0 0.5 -16.4 0.8 33 33 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.904 109.4 46.9 -65.8 -39.2 -3.1 -16.8 -0.5 34 34 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.915 110.9 52.5 -62.9 -47.0 -4.2 -13.8 1.8 35 35 A E H X S+ 0 0 5 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.881 108.3 52.3 -56.1 -39.0 -1.2 -11.9 0.5 36 36 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.952 112.7 40.9 -65.2 -51.4 -2.3 -12.5 -3.1 37 37 A I H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.885 113.4 54.7 -69.5 -32.1 -5.8 -11.3 -2.7 38 38 A D H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.2 6,-0.7 0.930 111.7 45.8 -63.2 -43.3 -4.8 -8.3 -0.6 39 39 A A H X S+ 0 0 11 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.941 113.5 48.4 -66.3 -44.6 -2.3 -7.3 -3.4 40 40 A I H < S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 122.4 32.3 -62.9 -40.8 -4.8 -7.8 -6.2 41 41 A T H < S+ 0 0 45 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.727 129.6 29.7 -92.9 -24.6 -7.6 -5.8 -4.5 42 42 A T H < S- 0 0 51 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.500 95.7-119.9-118.7 -5.1 -5.7 -3.1 -2.4 43 43 A G S < S+ 0 0 74 -4,-1.7 2,-0.5 -5,-0.4 -4,-0.2 0.707 76.0 119.5 77.0 16.3 -2.5 -2.4 -4.4 44 44 A R - 0 0 97 -6,-0.7 2,-0.7 -9,-0.1 -1,-0.2 -0.978 48.7-163.6-126.2 120.7 -0.4 -3.5 -1.5 45 45 A L + 0 0 84 -2,-0.5 2,-0.4 -6,-0.1 -9,-0.1 -0.914 32.2 151.7-106.8 103.0 2.1 -6.4 -1.4 46 46 A I - 0 0 47 -2,-0.7 2,-0.3 -11,-0.2 -32,-0.1 -0.999 45.8-119.7-137.9 131.4 2.8 -7.1 2.3 47 47 A S - 0 0 28 -2,-0.4 32,-2.3 -34,-0.1 33,-0.5 -0.595 33.5-145.2 -71.2 135.6 3.8 -10.3 4.1 48 48 A V B -J 78 0C 4 30,-0.3 2,-1.3 -2,-0.3 30,-0.3 -0.544 25.5 -87.8-102.1 170.0 1.2 -11.3 6.7 49 49 A S > + 0 0 0 28,-2.8 4,-1.3 1,-0.2 3,-0.3 -0.545 36.4 173.8 -86.0 101.0 1.7 -12.9 10.1 50 50 A E H > S+ 0 0 3 -2,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.892 84.7 59.2 -62.6 -34.9 1.8 -16.7 9.9 51 51 A Q H > S+ 0 0 1 31,-0.4 4,-3.0 1,-0.2 38,-0.2 0.877 97.6 56.7 -65.7 -36.9 2.7 -16.6 13.6 52 52 A Q H > S+ 0 0 0 30,-0.3 4,-2.1 -3,-0.3 5,-0.3 0.914 107.0 49.3 -64.5 -39.5 -0.4 -14.7 14.7 53 53 A I H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.953 113.8 46.3 -63.0 -45.8 -2.6 -17.4 13.2 54 54 A V H < S+ 0 0 0 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.931 116.3 43.9 -62.0 -45.1 -0.6 -20.1 15.0 55 55 A D H < S+ 0 0 21 -4,-3.0 36,-0.4 1,-0.2 3,-0.3 0.841 122.7 36.6 -69.4 -32.2 -0.6 -18.3 18.3 56 56 A b H < S+ 0 0 28 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.613 124.7 38.1-103.2 -18.7 -4.3 -17.3 18.2 57 57 A D < 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 -0.085 360.0 360.0-122.5 33.7 -5.7 -20.4 16.6 58 58 A T 0 0 82 -4,-0.4 -1,-0.1 -3,-0.3 3,-0.1 -0.597 360.0 360.0-125.7 360.0 -3.9 -23.6 17.9 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 65 A G 0 0 79 0, 0.0 2,-0.3 0, 0.0 -33,-0.0 0.000 360.0 360.0 360.0-178.3 -2.4 -28.3 13.3 61 66 A G - 0 0 30 -35,-0.1 2,-0.2 -3,-0.1 -3,-0.0 -0.869 360.0-115.2 174.4 166.5 -4.9 -26.9 10.8 62 67 A D > - 0 0 58 -2,-0.3 4,-1.5 95,-0.1 3,-0.2 -0.439 45.1 -87.7-106.0-176.6 -5.6 -26.5 7.1 63 68 A A H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 125.6 55.4 -62.6 -38.5 -5.8 -23.4 4.9 64 69 A D H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.851 102.7 55.7 -67.8 -27.9 -9.5 -23.0 5.6 65 70 A D H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 109.9 46.8 -64.6 -40.4 -8.9 -23.0 9.3 66 71 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.936 112.9 48.6 -63.0 -47.6 -6.5 -20.1 8.7 67 72 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.936 111.4 51.2 -60.4 -46.0 -9.0 -18.2 6.5 68 73 A R H X S+ 0 0 106 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.907 110.1 48.6 -58.6 -39.9 -11.7 -18.8 9.1 69 74 A W H X S+ 0 0 21 -4,-2.1 4,-2.6 2,-0.2 6,-0.3 0.926 111.3 49.2 -67.2 -45.7 -9.6 -17.3 11.9 70 75 A V H X>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 4,-0.9 0.928 113.0 48.0 -59.7 -39.3 -8.6 -14.2 9.8 71 76 A I H ><5S+ 0 0 55 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.964 112.9 48.3 -64.5 -47.0 -12.2 -13.6 9.0 72 77 A T H 3<5S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 112.1 48.9 -61.6 -35.5 -13.3 -14.0 12.6 73 78 A N H 3<5S- 0 0 45 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.615 111.4-119.3 -80.7 -10.5 -10.6 -11.7 13.9 74 79 A G T <<5S- 0 0 41 -3,-1.1 2,-0.3 -4,-0.9 -3,-0.2 0.651 78.3 -20.1 76.4 15.2 -11.4 -9.0 11.3 75 80 A G < - 0 0 0 -5,-1.8 2,-0.3 -6,-0.3 25,-0.2 -0.826 69.5 -95.6 146.8-176.1 -8.0 -9.2 9.8 76 81 A I B -K 99 0D 0 23,-2.2 22,-3.0 -2,-0.3 23,-1.5 -0.993 29.4-120.0-137.5 142.8 -4.4 -10.3 10.2 77 82 A A - 0 0 0 -2,-0.3 -28,-2.8 20,-0.3 20,-0.2 -0.228 38.0 -96.3 -73.5 163.0 -1.2 -8.4 11.3 78 83 A S B > -J 48 0C 13 18,-0.4 4,-1.5 -30,-0.3 -30,-0.3 -0.500 26.2-119.7 -74.1 156.3 1.9 -8.0 9.1 79 84 A D T 4 S+ 0 0 48 -32,-2.3 -31,-0.2 1,-0.2 -1,-0.1 0.854 115.7 58.0 -61.1 -35.3 4.8 -10.4 9.5 80 85 A A T 4 S+ 0 0 84 -33,-0.5 -1,-0.2 1,-0.2 -32,-0.1 0.904 111.4 39.6 -63.7 -40.2 6.9 -7.3 10.4 81 86 A N T 4 S+ 0 0 70 1,-0.3 -1,-0.2 15,-0.1 -2,-0.2 0.688 130.0 29.7 -82.6 -17.1 4.6 -6.3 13.3 82 87 A Y S < S- 0 0 8 -4,-1.5 -31,-0.4 13,-0.1 -30,-0.3 -0.716 91.4-155.9-143.6 80.0 4.1 -9.9 14.5 83 88 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.102 17.4 -98.8 -75.0 164.3 7.2 -11.9 13.6 84 89 A Y + 0 0 60 1,-0.1 -59,-0.0 -5,-0.1 -35,-0.0 -0.512 40.7 158.7 -76.9 130.7 7.7 -15.6 13.1 85 90 A T - 0 0 88 -2,-0.2 -1,-0.1 2,-0.2 3,-0.1 0.516 44.1-132.6-120.0 -23.4 9.1 -17.8 15.8 86 91 A G S S+ 0 0 2 1,-0.2 -62,-2.3 -62,-0.1 -63,-2.2 0.488 78.1 90.8 87.5 -2.6 7.9 -21.3 14.7 87 92 A V S S- 0 0 83 -64,-0.2 2,-0.3 -65,-0.2 -1,-0.2 -0.962 86.9-103.6-128.7 144.1 6.7 -22.1 18.2 88 93 A D + 0 0 76 -2,-0.4 2,-0.2 -3,-0.1 -33,-0.1 -0.511 53.8 160.8 -69.0 129.4 3.2 -21.5 19.7 89 94 A G - 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