==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYSTEINE PROTEASE INHIBITOR 07-DEC-95 2BI6 . 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) . 3894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 34.6 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 . 7 13.5 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 . 5 9.6 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 . 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 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 1 L T 0 0 150 0, 0.0 28,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 62.4 -0.1 2.6 -10.8 2 2 L A - 0 0 40 1,-0.1 4,-0.1 2,-0.1 28,-0.1 0.091 360.0 -76.1 -53.6 179.4 0.2 2.5 -7.0 3 3 L a - 0 0 6 2,-0.1 49,-0.5 1,-0.1 3,-0.2 -0.291 38.3-112.8 -75.7 167.2 2.6 5.0 -5.3 4 4 L S S S+ 0 0 87 1,-0.2 2,-0.9 -3,-0.1 -1,-0.1 0.679 109.9 68.7 -75.5 -13.7 6.3 4.4 -5.4 5 5 L E + 0 0 71 17,-0.0 15,-1.5 2,-0.0 2,-0.3 -0.568 68.9 168.3-104.1 71.7 6.3 3.9 -1.7 6 6 L b E -A 19 0A 33 -2,-0.9 2,-0.5 -3,-0.2 13,-0.2 -0.654 20.7-153.1 -84.6 136.9 4.4 0.6 -1.4 7 7 L V E +A 18 0A 30 11,-1.5 11,-2.2 -2,-0.3 -2,-0.0 -0.930 34.1 144.3-114.0 122.6 4.5 -1.1 2.0 8 8 L c + 0 0 8 -2,-0.5 2,-0.5 9,-0.2 6,-0.4 -0.193 15.2 161.8-151.0 52.2 4.1 -4.9 2.3 9 9 L P + 0 0 72 0, 0.0 -2,-0.0 0, 0.0 8,-0.0 -0.631 66.1 7.1 -78.6 122.5 6.3 -6.1 5.1 10 10 L L 0 0 141 -2,-0.5 4,-0.0 5,-0.0 0, 0.0 0.816 360.0 360.0 73.1 105.6 5.4 -9.6 6.3 11 11 L R 0 0 177 4,-0.1 6,-0.2 2,-0.0 5,-0.1 0.910 360.0 360.0 -40.3 360.0 2.8 -11.3 4.1 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 0 141 0, 0.0 38,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -64.4 5.7 -8.4 -1.5 14 2 H E + 0 0 107 -6,-0.4 2,-0.3 36,-0.1 3,-0.1 -0.255 360.0 30.1-146.4 53.2 3.3 -11.2 -0.5 15 3 H Y S S- 0 0 149 1,-0.1 31,-0.1 35,-0.1 -4,-0.1 -0.983 102.7 -64.3 175.6-177.8 -0.1 -9.6 -0.1 16 4 H K S S- 0 0 121 -2,-0.3 30,-0.5 -5,-0.1 33,-0.1 0.876 70.8-159.7 -59.4 -33.2 -2.5 -6.8 -1.2 17 5 H c - 0 0 3 28,-0.2 29,-1.4 -6,-0.2 2,-0.4 0.226 10.6-112.3 68.5 158.0 0.0 -4.4 0.3 18 6 H Y E -A 7 0A 82 -11,-2.2 -11,-1.5 27,-0.3 2,-0.3 -0.980 15.6-130.2-132.5 128.0 -1.0 -0.8 1.2 19 7 H a E +A 6 0A 7 -2,-0.4 25,-1.2 -13,-0.2 -13,-0.2 -0.549 33.9 162.1 -73.9 132.7 0.2 2.4 -0.5 20 8 H T + 0 0 33 -15,-1.5 -1,-0.1 -2,-0.3 -14,-0.1 0.177 19.9 138.8-137.4 18.1 1.4 5.0 2.1 21 9 H D - 0 0 42 -16,-0.3 21,-1.8 20,-0.2 2,-0.3 -0.167 52.5-117.5 -59.3 161.6 3.5 7.4 0.1 22 10 H T + 0 0 62 19,-0.2 2,-0.3 11,-0.1 19,-0.2 -0.748 36.8 171.5-104.2 153.3 2.9 11.1 1.0 23 11 H Y - 0 0 40 -2,-0.3 17,-0.8 11,-0.2 3,-0.1 -0.860 43.9-116.7-146.0-177.4 1.5 13.8 -1.3 24 12 H S S S+ 0 0 103 -2,-0.3 2,-0.3 15,-0.2 11,-0.0 0.319 99.1 14.7-106.9 6.5 0.3 17.4 -1.4 25 13 H D S S- 0 0 116 9,-0.0 -1,-0.1 0, 0.0 9,-0.1 -0.981 100.3 -71.3-167.1 165.1 -3.2 16.4 -2.5 26 14 H d - 0 0 62 -2,-0.3 2,-0.1 7,-0.1 5,-0.1 -0.570 53.3-138.9 -71.9 119.2 -5.5 13.3 -2.6 27 15 H P > - 0 0 17 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.438 14.4-123.1 -77.2 148.8 -4.1 11.1 -5.4 28 16 H G T 3 S+ 0 0 83 1,-0.3 3,-0.5 -2,-0.1 -2,-0.0 0.848 116.7 53.4 -61.7 -29.3 -6.5 9.3 -7.8 29 17 H F T 3 S+ 0 0 80 1,-0.3 2,-0.3 -28,-0.1 -1,-0.3 0.780 116.3 39.5 -77.8 -22.2 -4.8 6.0 -6.7 30 18 H e < + 0 0 2 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.1 -0.593 62.6 172.0-125.8 74.8 -5.4 6.9 -3.0 31 19 H K S S+ 0 0 173 -3,-0.5 2,-1.6 -2,-0.3 -1,-0.1 0.849 74.6 72.5 -50.2 -30.7 -8.9 8.4 -2.8 32 20 H T S S+ 0 0 78 -3,-0.1 11,-0.8 2,-0.0 2,-0.4 -0.591 73.7 175.8 -86.9 81.6 -8.4 8.2 1.0 33 21 H d B -B 42 0B 34 -2,-1.6 2,-0.6 9,-0.1 9,-0.2 -0.719 17.7-159.3 -90.5 135.6 -5.8 11.0 1.3 34 22 H K - 0 0 92 7,-1.2 2,-1.0 -2,-0.4 -11,-0.2 -0.880 4.9-156.3-116.0 102.5 -4.6 11.9 4.8 35 23 H A + 0 0 59 -2,-0.6 2,-0.3 5,-0.2 5,-0.3 -0.642 31.0 155.3 -79.9 106.0 -3.1 15.4 5.0 36 24 H E B > +C 39 0C 74 3,-1.5 3,-2.0 -2,-1.0 -2,-0.1 -0.945 60.7 5.0-130.7 153.0 -0.8 15.3 8.1 37 25 H F T 3 S- 0 0 141 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.718 130.9 -62.4 49.8 17.4 2.3 17.4 9.0 38 26 H G T 3 S+ 0 0 76 1,-0.4 -1,-0.3 -14,-0.0 2,-0.1 0.056 124.9 79.2 99.7 -29.1 1.5 19.4 5.8 39 27 H K B < S-C 36 0C 91 -3,-2.0 -3,-1.5 1,-0.1 -1,-0.4 -0.213 79.4-107.3 -98.5-165.5 1.9 16.4 3.4 40 28 H Y - 0 0 42 -17,-0.8 2,-0.3 -5,-0.3 -5,-0.2 -0.708 18.6-153.5-118.6 174.1 -0.4 13.6 2.6 41 29 H I - 0 0 31 -19,-0.2 -7,-1.2 -2,-0.2 2,-0.3 -0.939 13.6-135.3-151.5 124.7 -0.4 9.8 3.4 42 30 H e B -B 33 0B 0 -21,-1.8 -9,-0.1 -2,-0.3 -12,-0.0 -0.588 17.4-178.6 -81.0 140.1 -2.0 7.0 1.4 43 31 H L + 0 0 84 -11,-0.8 2,-0.2 -2,-0.3 -23,-0.2 -0.208 37.0 129.8-128.8 41.7 -4.0 4.4 3.4 44 32 H D - 0 0 42 -25,-1.2 2,-0.3 2,-0.1 -25,-0.2 -0.538 43.3-153.4 -94.7 164.5 -5.0 2.1 0.6 45 33 H L + 0 0 83 -27,-0.3 -27,-0.3 -2,-0.2 2,-0.3 -0.823 43.6 108.0-140.6 99.1 -4.6 -1.7 0.5 46 34 H I - 0 0 95 -29,-1.4 4,-0.1 -30,-0.5 -27,-0.1 -0.978 31.3-176.1-166.0 154.2 -4.3 -3.4 -3.0 47 35 H S + 0 0 32 -2,-0.3 -30,-0.1 2,-0.1 4,-0.0 -0.602 8.1 175.9-163.2 95.5 -1.7 -5.1 -5.2 48 36 H P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.588 95.2 3.1 -76.9 -11.9 -2.5 -6.3 -8.7 49 37 H N S S- 0 0 100 -33,-0.1 -2,-0.1 0, 0.0 3,-0.0 0.501 110.4 -90.0-139.1 -51.7 1.2 -7.3 -9.2 50 38 H D S S- 0 0 83 -34,-0.1 2,-0.3 -4,-0.1 -36,-0.1 -0.149 84.5 -17.5 164.0 -55.9 3.2 -6.7 -6.1 51 39 H b - 0 0 38 -38,-0.1 2,-0.1 -34,-0.0 -47,-0.1 -0.946 48.7-122.8-171.3 149.9 4.8 -3.2 -5.9 52 40 H V 0 0 59 -49,-0.5 0, 0.0 -2,-0.3 0, 0.0 -0.095 360.0 360.0 -92.1 39.4 5.6 -0.3 -8.3 53 41 H K 0 0 209 -2,-0.1 -1,-0.2 -48,-0.0 -47,-0.1 -0.550 360.0 360.0 179.1 360.0 9.3 -0.5 -7.3