==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYSTEINE PROTEASE INHIBITOR 07-DEC-95 1BI6 . COMPND 2 MOLECULE: BROMELAIN INHIBITOR VI; . SOURCE 2 ORGANISM_SCIENTIFIC: ANANAS COMOSUS; . AUTHOR K.-I.HATANO . 52 2 5 2 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 21.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 . 6 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.8 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+4), 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 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 L T 0 0 169 0, 0.0 3,-0.1 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 107.2 -0.4 4.9 9.8 2 2 L A - 0 0 22 1,-0.3 2,-0.3 27,-0.0 27,-0.2 0.701 360.0 -35.6 -98.5 -97.6 -0.6 4.2 6.0 3 3 L a - 0 0 8 26,-0.1 49,-0.4 1,-0.1 -1,-0.3 -0.849 38.4-130.9-127.4 165.6 -2.0 0.8 4.9 4 4 L S S S+ 0 0 75 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.691 101.4 64.1 -89.0 -18.3 -1.8 -2.8 6.3 5 5 L E S S+ 0 0 94 17,-0.1 15,-1.5 46,-0.0 2,-0.4 -0.522 70.4 168.9-103.3 67.7 -0.8 -4.2 2.9 6 6 L b E -A 19 0A 38 -2,-0.8 2,-0.6 47,-0.3 13,-0.2 -0.648 27.1-142.3 -81.5 129.6 2.6 -2.5 2.4 7 7 L V E +A 18 0A 44 11,-1.9 11,-2.1 -2,-0.4 -2,-0.0 -0.800 47.5 130.4 -94.0 119.4 4.6 -4.0 -0.4 8 8 L c + 0 0 13 -2,-0.6 2,-2.1 9,-0.2 3,-0.1 -0.153 16.0 166.2-166.0 60.6 8.3 -4.1 0.3 9 9 L P + 0 0 97 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.457 66.8 61.9 -79.8 67.9 9.9 -7.6 -0.4 10 10 L L 0 0 131 -2,-2.1 5,-0.2 5,-0.0 0, 0.0 -0.022 360.0 360.0 172.9 67.9 13.5 -6.4 -0.2 11 11 L R 0 0 224 3,-0.1 0, 0.0 -3,-0.1 0, 0.0 0.921 360.0 360.0 -62.6 360.0 14.7 -5.0 3.2 12 !* 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 13 1 H E 0 0 75 0, 0.0 2,-0.2 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 -50.9 11.8 -1.8 4.7 14 2 H E - 0 0 34 36,-0.1 3,-0.4 1,-0.0 -3,-0.1 -0.632 360.0 -43.0-140.4-160.7 13.5 -0.6 1.5 15 3 H Y S S- 0 0 184 -5,-0.2 2,-0.2 1,-0.2 32,-0.1 0.908 121.0 -24.7 -36.8 -77.2 13.9 2.4 -0.8 16 4 H K S S- 0 0 81 30,-0.1 -1,-0.2 -3,-0.0 31,-0.1 -0.691 71.5-138.2-147.2 90.2 10.2 3.4 -0.8 17 5 H c - 0 0 2 -3,-0.4 29,-1.0 -2,-0.2 2,-0.5 0.113 21.0-125.4 -39.7 162.3 7.6 0.7 -0.0 18 6 H Y E -AB 7 45A 82 -11,-2.1 -11,-1.9 27,-0.2 2,-0.4 -0.950 11.3-133.9-122.2 117.7 4.5 0.8 -2.2 19 7 H a E +AB 6 44A 7 25,-0.6 25,-1.3 -2,-0.5 -13,-0.2 -0.528 40.1 153.8 -69.7 120.2 1.0 1.0 -0.6 20 8 H T + 0 0 34 -15,-1.5 -1,-0.1 -2,-0.4 -14,-0.1 0.088 19.4 137.3-135.0 23.8 -1.1 -1.6 -2.4 21 9 H D - 0 0 31 20,-0.2 21,-1.6 -16,-0.1 2,-0.3 -0.250 51.1-120.9 -67.4 161.9 -3.8 -2.5 0.2 22 10 H T + 0 0 46 19,-0.2 2,-0.2 11,-0.1 19,-0.2 -0.748 37.0 163.5-105.0 154.3 -7.4 -2.7 -1.0 23 11 H Y - 0 0 30 -2,-0.3 17,-0.7 4,-0.0 3,-0.1 -0.838 50.5-101.0-150.6-170.2 -10.3 -0.7 0.4 24 12 H S S S- 0 0 111 1,-0.3 2,-0.3 -2,-0.2 11,-0.1 0.379 103.0 -1.5-101.9 3.4 -13.9 0.4 -0.3 25 13 H D S S- 0 0 101 9,-0.1 -1,-0.3 0, 0.0 15,-0.1 -0.907 102.9 -57.8 178.5 153.8 -12.8 3.8 -1.6 26 14 H d - 0 0 41 -2,-0.3 5,-0.1 5,-0.1 7,-0.1 -0.224 63.7-135.4 -46.4 116.5 -9.6 5.9 -2.1 27 15 H P > - 0 0 14 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.355 17.6-110.8 -76.1 155.5 -8.1 6.0 1.4 28 16 H G T 3 S+ 0 0 85 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.830 124.0 47.3 -57.3 -27.9 -6.8 9.3 2.9 29 17 H F T 3 S+ 0 0 74 1,-0.2 2,-0.4 -27,-0.2 -1,-0.3 0.762 118.3 41.2 -85.9 -23.2 -3.3 7.6 2.6 30 18 H e < + 0 0 0 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.590 60.9 169.4-122.8 73.6 -3.9 6.5 -1.0 31 19 H K S S+ 0 0 160 -3,-0.4 2,-0.6 -2,-0.4 -1,-0.1 0.788 73.8 65.1 -54.4 -21.7 -5.7 9.4 -2.7 32 20 H T S S+ 0 0 78 -3,-0.1 11,-1.2 -5,-0.1 2,-0.3 -0.891 72.7 125.3-105.6 120.6 -5.0 7.4 -5.9 33 21 H d E -C 42 0B 27 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.890 43.7-131.2-155.7-173.6 -6.8 4.0 -6.1 34 22 H K E -C 41 0B 144 7,-0.8 7,-1.0 -2,-0.3 2,-0.9 -0.981 15.5-132.0-152.3 137.0 -9.1 1.9 -8.2 35 23 H A E +C 40 0B 53 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.777 41.8 157.0 -94.2 106.4 -12.2 -0.1 -7.4 36 24 H E E > +C 39 0B 90 3,-1.5 3,-2.0 -2,-0.9 -2,-0.1 -0.935 61.7 5.1-128.7 152.6 -11.9 -3.6 -8.9 37 25 H F T 3 S- 0 0 144 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.715 130.9 -62.2 50.8 17.8 -13.6 -6.9 -8.0 38 26 H G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 -3,-0.0 2,-0.1 0.077 124.8 78.1 99.5 -27.7 -15.7 -4.8 -5.5 39 27 H K E < S-C 36 0B 92 -3,-2.0 -3,-1.5 1,-0.1 -1,-0.4 -0.287 78.9-108.7-102.1-167.8 -12.7 -3.7 -3.4 40 28 H Y E -C 35 0B 46 -17,-0.7 2,-0.4 -5,-0.3 -5,-0.2 -0.732 17.2-147.2-118.0 171.7 -10.1 -1.0 -4.0 41 29 H I E -C 34 0B 40 -7,-1.0 -7,-0.8 -2,-0.2 2,-0.3 -0.984 10.3-141.3-142.6 128.7 -6.4 -1.1 -4.8 42 30 H e E +C 33 0B 0 -21,-1.6 -9,-0.2 -2,-0.4 -11,-0.0 -0.679 17.6 177.8 -90.3 142.2 -3.7 1.4 -3.7 43 31 H L + 0 0 134 -11,-1.2 -23,-0.2 -2,-0.3 2,-0.1 -0.194 42.0 117.8-133.2 40.9 -0.9 2.4 -6.1 44 32 H D E -B 19 0A 28 -25,-1.3 -25,-0.6 -12,-0.1 2,-0.4 -0.467 57.0-130.1-102.1 177.8 0.9 5.0 -4.0 45 33 H L E +B 18 0A 73 -27,-0.3 2,-0.3 -2,-0.1 -27,-0.2 -0.939 43.9 130.7-134.1 114.1 4.5 5.0 -2.7 46 34 H I + 0 0 69 -29,-1.0 -30,-0.1 -2,-0.4 -2,-0.0 -0.991 19.8 172.3-158.5 151.6 5.3 5.7 1.0 47 35 H S + 0 0 36 -2,-0.3 -30,-0.1 -31,-0.1 4,-0.0 -0.380 7.5 166.7-166.3 79.1 7.4 4.1 3.8 48 36 H P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.368 79.5 -20.7 -77.4 4.7 7.7 6.1 7.0 49 37 H N S S- 0 0 81 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.954 100.6 -49.0 178.6-161.2 9.0 3.0 8.7 50 38 H D S S- 0 0 105 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.994 98.0 -71.0 -60.7 -61.0 9.2 -0.8 8.4 51 39 H b - 0 0 32 -3,-0.1 -1,-0.2 -38,-0.1 -47,-0.1 -0.975 42.8 -84.3-176.8-175.3 5.4 -1.3 7.8 52 40 H V 0 0 44 -49,-0.4 -2,-0.0 1,-0.4 -47,-0.0 -0.125 360.0 360.0-102.7 39.0 2.0 -1.1 9.5 53 41 H K 0 0 241 -48,-0.0 -1,-0.4 -47,-0.0 -47,-0.3 -0.280 360.0 360.0 52.0 360.0 2.2 -4.6 10.9