==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUN-03 1PJU . COMPND 2 MOLECULE: WOUND-INDUCED PROTEINASE INHIBITOR II; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM; . AUTHOR I.H.BARRETTE-NG,K.K.-S.NG,M.M.CHERNEY,G.PEARCE,U.GHANI,C.A.R . 456 4 32 32 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 22.8 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 . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 27 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 8 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 . 6 6 15 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 . 2 3 5 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 2 A A 0 0 151 0, 0.0 2,-0.3 0, 0.0 90,-0.0 0.000 360.0 360.0 360.0 99.2 48.0 11.5 25.4 2 3 A a - 0 0 49 1,-0.1 2,-0.0 89,-0.0 0, 0.0 -0.848 360.0-106.0-117.1 154.5 45.1 11.4 27.8 3 4 A T - 0 0 94 -2,-0.3 85,-0.1 1,-0.1 88,-0.1 -0.261 28.9-114.9 -71.7 166.9 43.5 14.2 29.8 4 5 A R S S+ 0 0 258 2,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.454 70.4 134.5 -79.2 -2.5 44.1 14.6 33.6 5 6 A E - 0 0 147 1,-0.1 2,-0.7 82,-0.0 83,-0.0 -0.173 57.3-129.8 -57.8 135.7 40.4 13.9 34.3 6 7 A b - 0 0 76 2,-0.0 81,-0.2 81,-0.0 80,-0.1 -0.814 28.7-140.6 -84.8 115.4 39.5 11.4 37.0 7 8 A G - 0 0 14 79,-2.6 81,-0.1 -2,-0.7 80,-0.1 -0.283 10.4-150.8 -75.0 164.5 37.1 8.9 35.5 8 9 A N + 0 0 120 78,-0.1 93,-0.5 -2,-0.0 78,-0.1 -0.245 40.7 147.1-130.8 39.9 34.0 7.4 37.4 9 10 A L - 0 0 17 78,-0.6 75,-0.4 76,-0.3 91,-0.2 -0.246 42.6-140.1 -75.9 166.5 33.7 4.0 35.7 10 11 A G - 0 0 4 89,-3.1 74,-0.4 1,-0.3 2,-0.3 0.926 64.0 -28.5 -93.0 -62.1 32.5 0.9 37.5 11 12 A F E -A 99 0A 0 88,-1.2 88,-2.9 72,-0.1 2,-0.4 -0.983 47.9-135.1-156.0 157.2 34.6 -2.1 36.4 12 13 A G E -AB 98 81A 0 69,-2.7 69,-2.9 -2,-0.3 2,-0.4 -0.937 10.1-162.5-116.8 144.6 36.6 -3.5 33.5 13 14 A I E -AB 97 80A 2 84,-1.7 84,-3.1 -2,-0.4 67,-0.2 -0.997 5.9-169.3-122.9 136.8 36.6 -6.9 31.9 14 15 A c - 0 0 0 65,-2.6 2,-0.4 -2,-0.4 82,-0.2 -0.947 20.0-136.8-129.0 108.7 39.5 -8.1 29.7 15 16 A P + 0 0 16 0, 0.0 59,-0.3 0, 0.0 2,-0.3 -0.543 44.6 158.4 -65.1 118.1 39.2 -11.4 27.7 16 17 A R - 0 0 7 -2,-0.4 59,-0.2 59,-0.1 17,-0.1 -0.987 50.0 -89.4-146.7 145.9 42.7 -12.9 28.3 17 18 A S - 0 0 34 57,-1.5 2,-0.3 -2,-0.3 54,-0.2 -0.358 54.1-175.1 -55.9 133.2 44.3 -16.3 28.1 18 19 A E - 0 0 58 52,-0.2 52,-2.4 7,-0.0 7,-0.2 -0.981 28.1 -0.1-138.0 146.8 43.9 -18.0 31.5 19 20 A G - 0 0 43 -2,-0.3 50,-0.2 50,-0.2 51,-0.2 0.097 55.8-122.3 76.7 178.1 45.1 -21.1 33.3 20 21 A S - 0 0 31 3,-1.2 3,-0.2 48,-0.4 21,-0.1 -0.939 33.6 -93.8-152.0 165.6 47.1 -24.2 32.4 21 22 A P S S+ 0 0 66 0, 0.0 20,-0.1 0, 0.0 -1,-0.1 0.932 128.2 38.9 -46.6 -52.5 46.7 -28.0 32.2 22 23 A L S S+ 0 0 160 1,-0.2 19,-0.0 19,-0.1 -3,-0.0 0.647 125.0 39.0 -77.3 -19.8 48.2 -28.3 35.8 23 24 A N S S- 0 0 110 -3,-0.2 -3,-1.2 45,-0.0 -1,-0.2 -0.628 85.4-160.9-131.4 75.8 46.5 -25.2 37.1 24 25 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 45,-0.2 -0.248 11.6-132.4 -65.3 136.5 42.9 -25.1 35.7 25 26 A I - 0 0 43 43,-2.6 2,-0.8 -7,-0.2 42,-0.1 -0.644 20.7-122.7 -79.7 144.5 40.8 -21.9 35.6 26 27 A d + 0 0 30 -2,-0.3 2,-0.3 37,-0.1 37,-0.1 -0.822 61.7 120.2 -90.7 109.6 37.2 -22.2 36.8 27 28 A I - 0 0 18 -2,-0.8 37,-3.3 37,-0.3 2,-0.3 -0.938 45.4-140.3-157.3 168.2 35.1 -21.0 33.9 28 29 A N > - 0 0 18 -2,-0.3 4,-2.1 35,-0.2 3,-0.1 -0.925 31.4-108.4-135.6 167.2 32.3 -22.2 31.6 29 30 A e T 4 S+ 0 0 16 -2,-0.3 21,-2.4 1,-0.2 22,-0.4 0.855 116.8 58.4 -61.7 -37.0 31.5 -21.8 27.9 30 31 A f T 4 S+ 0 0 36 1,-0.2 27,-0.4 19,-0.2 -1,-0.2 0.930 115.7 32.7 -57.2 -48.3 28.6 -19.5 28.8 31 32 A S T 4 S+ 0 0 35 29,-0.1 -2,-0.2 19,-0.1 -1,-0.2 0.656 98.1 99.2 -90.1 -16.8 30.8 -17.0 30.6 32 33 A G S < S- 0 0 0 -4,-2.1 19,-2.9 1,-0.1 18,-0.6 -0.316 79.9-103.7 -65.2 158.0 33.9 -17.5 28.4 33 34 A Y B > -d 51 0B 28 16,-0.3 3,-1.9 17,-0.2 16,-0.9 -0.584 23.6-105.0 -98.8 146.4 34.4 -14.8 25.7 34 35 A K T 3 S+ 0 0 118 17,-2.4 16,-0.1 1,-0.3 3,-0.1 -0.356 110.6 33.1 -57.9 141.4 33.9 -14.8 22.0 35 36 A G T 3 S+ 0 0 6 14,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.344 101.3 97.9 87.8 -8.4 37.2 -15.1 20.2 36 37 A g < - 0 0 0 -3,-1.9 13,-2.4 36,-0.2 2,-0.4 -0.925 62.5-147.8-110.5 140.7 38.7 -17.2 23.0 37 38 A N E -EF 48 71C 0 34,-2.2 34,-2.2 -2,-0.4 2,-0.4 -0.885 8.8-146.4-107.4 141.2 38.9 -21.0 22.8 38 39 A Y E -EF 47 70C 3 9,-3.1 8,-3.5 -2,-0.4 9,-1.3 -0.882 18.3-177.1-113.4 139.1 38.6 -23.2 25.9 39 40 A Y E -EF 45 69C 5 30,-2.6 29,-3.2 -2,-0.4 30,-1.9 -0.927 23.5-117.1-135.7 151.8 40.4 -26.5 26.3 40 41 A N > - 0 0 33 4,-2.3 3,-1.8 -2,-0.3 27,-0.1 -0.238 45.5 -93.6 -79.2 177.0 40.7 -29.4 28.8 41 42 A S T 3 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.1 -19,-0.1 0.701 128.5 55.9 -66.2 -20.7 44.0 -30.3 30.6 42 43 A F T 3 S- 0 0 189 2,-0.1 -1,-0.3 -21,-0.1 -2,-0.0 0.376 121.9-109.8 -90.8 -0.4 44.8 -32.8 27.8 43 44 A G < + 0 0 31 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.593 66.0 150.5 84.8 11.4 44.5 -29.9 25.4 44 45 A K - 0 0 138 1,-0.1 -4,-2.3 345,-0.1 -1,-0.3 -0.617 53.5-109.2 -76.0 132.3 41.3 -31.1 23.7 45 46 A F E +E 39 0C 67 -2,-0.3 -6,-0.3 342,-0.3 3,-0.1 -0.442 39.7 173.8 -62.0 127.4 39.1 -28.2 22.3 46 47 A I E - 0 0 46 -8,-3.5 2,-0.3 1,-0.3 -7,-0.2 0.833 52.5 -43.4-101.6 -51.2 36.0 -27.8 24.4 47 48 A e E -E 38 0C 18 -9,-1.3 -9,-3.1 341,-0.1 2,-0.4 -0.977 45.4-103.0-169.1 159.1 34.2 -24.6 23.1 48 49 A E E -E 37 0C 61 -2,-0.3 -11,-0.2 -11,-0.2 -14,-0.2 -0.773 57.1 -96.0 -83.1 143.4 34.5 -21.1 21.9 49 50 A G - 0 0 4 -13,-2.4 -14,-0.3 -16,-0.9 -16,-0.3 -0.306 28.5-154.7 -54.1 143.6 33.4 -18.6 24.6 50 51 A E + 0 0 101 -21,-2.4 2,-0.4 -18,-0.6 -17,-0.2 0.544 59.8 100.3 -97.6 -10.6 29.8 -17.5 24.1 51 52 A S B -d 33 0B 2 -19,-2.9 -17,-2.4 -22,-0.4 -2,-0.1 -0.646 60.4-147.1 -96.4 130.7 30.0 -14.1 25.9 52 53 A D B > -G 55 0D 40 3,-0.6 3,-2.0 -2,-0.4 -19,-0.0 -0.816 15.0-144.9 -87.1 118.4 30.3 -10.7 24.3 53 54 A P T 3 S+ 0 0 12 0, 0.0 -40,-0.1 0, 0.0 -1,-0.1 0.628 99.3 58.7 -65.9 -10.8 32.5 -8.6 26.7 54 55 A K T 3 S+ 0 0 67 1,-0.2 51,-0.4 51,-0.1 -3,-0.0 0.667 128.4 12.8 -84.7 -20.1 30.4 -5.5 25.8 55 56 A R B < S-G 52 0D 199 -3,-2.0 -3,-0.6 49,-0.1 -1,-0.2 -0.545 90.6-151.7-153.8 74.8 27.2 -7.3 26.9 56 57 A P - 0 0 12 0, 0.0 -25,-0.1 0, 0.0 -5,-0.1 -0.121 20.7-105.9 -59.5 148.3 28.2 -10.4 28.9 57 58 A N - 0 0 57 -27,-0.4 234,-0.9 233,-0.1 2,-0.7 -0.261 31.6-105.4 -63.9 155.9 25.9 -13.4 29.1 58 59 A A E +H 290 0E 58 232,-0.2 232,-0.3 230,-0.1 2,-0.3 -0.816 62.0 155.3 -75.2 112.5 23.8 -14.3 32.1 59 60 A f E -H 289 0E 10 230,-1.9 230,-2.9 -2,-0.7 2,-0.1 -0.929 43.1-111.2-135.7 161.8 25.8 -17.3 33.5 60 61 A T - 0 0 36 -2,-0.3 -29,-0.1 228,-0.3 228,-0.1 -0.463 29.0-119.4 -78.4 166.3 26.4 -19.2 36.8 61 62 A F S S+ 0 0 94 226,-0.3 2,-0.1 -2,-0.1 -1,-0.1 0.450 70.4 133.3 -79.5 -3.4 29.8 -19.1 38.4 62 63 A N - 0 0 29 1,-0.1 2,-0.1 224,-0.1 -2,-0.1 -0.295 58.0-124.1 -57.7 125.5 30.0 -22.9 38.1 63 64 A d - 0 0 4 -37,-0.1 -35,-0.2 -2,-0.1 -37,-0.1 -0.421 12.7-132.5 -61.6 134.7 33.3 -24.3 36.7 64 65 A D > - 0 0 35 -37,-3.3 3,-2.4 1,-0.1 -37,-0.3 -0.875 15.2-150.4 -83.8 113.1 33.0 -26.5 33.6 65 66 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 266,-0.1 0.569 92.8 66.2 -67.7 -6.5 35.2 -29.4 34.8 66 67 A N T 3 S+ 0 0 85 265,-0.1 2,-0.5 -26,-0.1 -38,-0.1 0.533 89.7 81.1 -86.0 -7.7 36.1 -30.0 31.1 67 68 A I < + 0 0 1 -3,-2.4 -27,-0.3 -40,-0.2 -40,-0.2 -0.878 36.4 151.7-108.5 126.7 37.9 -26.7 31.0 68 69 A A + 0 0 3 -29,-3.2 -43,-2.6 -2,-0.5 -48,-0.4 0.675 67.9 7.6-112.0 -39.7 41.5 -26.1 32.2 69 70 A Y E -F 39 0C 41 -30,-1.9 -30,-2.6 -45,-0.2 -1,-0.3 -0.953 56.0-142.0-146.9 163.0 42.7 -23.2 30.1 70 71 A S E -F 38 0C 5 -52,-2.4 2,-0.4 -2,-0.3 -32,-0.2 -0.894 4.8-151.8-124.4 155.1 41.9 -20.6 27.5 71 72 A R E +F 37 0C 90 -34,-2.2 -34,-2.2 -2,-0.3 4,-0.1 -0.973 25.1 170.2-123.7 112.4 43.6 -19.1 24.4 72 73 A g - 0 0 2 -2,-0.4 -55,-0.2 2,-0.3 -36,-0.2 -0.779 49.1-106.2-112.5 161.6 42.5 -15.5 23.7 73 74 A P S S+ 0 0 23 0, 0.0 2,-0.3 0, 0.0 -57,-0.1 0.843 110.2 44.5 -54.1 -36.0 44.1 -13.0 21.1 74 75 A R + 0 0 62 -59,-0.3 -57,-1.5 1,-0.1 -2,-0.3 -0.826 59.4 179.3-112.0 154.1 45.6 -11.2 24.1 75 76 A S + 0 0 82 -2,-0.3 2,-0.2 -59,-0.2 -59,-0.1 0.471 44.1 104.3-130.8 -10.3 47.3 -12.7 27.1 76 77 A Q - 0 0 31 37,-0.1 39,-0.1 2,-0.0 -2,-0.0 -0.506 68.8 -15.0 -88.7 146.7 48.5 -9.9 29.4 77 78 A G S S- 0 0 56 -2,-0.2 2,-0.2 37,-0.1 38,-0.0 -0.166 92.6 -9.4 79.3-159.2 47.2 -8.6 32.7 78 79 A K - 0 0 149 1,-0.1 3,-0.1 -63,-0.0 -2,-0.0 -0.465 35.2-150.9 -85.2 147.2 43.9 -8.9 34.7 79 80 A S S S+ 0 0 28 1,-0.2 -65,-2.6 -2,-0.2 2,-0.4 0.761 92.0 32.0 -79.4 -28.8 40.6 -10.5 33.5 80 81 A L E -B 13 0A 61 -67,-0.2 2,-0.5 2,-0.1 -1,-0.2 -0.997 65.3-163.4-135.0 134.2 38.7 -8.2 35.9 81 82 A I E -B 12 0A 25 -69,-2.9 -69,-2.7 -2,-0.4 3,-0.1 -0.973 20.9-175.6-119.8 110.9 39.6 -4.6 36.9 82 83 A Y + 0 0 52 -2,-0.5 2,-0.2 1,-0.3 174,-0.1 -0.877 63.1 20.9-160.2 129.1 37.6 -3.5 40.0 83 84 A P S S- 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -72,-0.1 0.693 70.2-160.7 -76.2 179.1 37.6 -0.9 41.3 84 85 A T > - 0 0 9 -75,-0.4 3,-2.1 -74,-0.4 -77,-0.1 0.511 15.3-166.6-101.5 -7.8 38.8 1.4 38.4 85 86 A G T 3 S- 0 0 56 1,-0.3 -76,-0.3 -75,-0.1 -1,-0.3 -0.327 70.4 -18.0 54.0-129.2 39.9 4.4 40.5 86 87 A b T 3 S+ 0 0 75 -80,-0.1 -79,-2.6 -78,-0.1 -1,-0.3 0.318 96.3 141.1 -90.6 7.3 40.5 7.4 38.2 87 88 A T < - 0 0 37 -3,-2.1 -78,-0.6 -81,-0.2 2,-0.2 -0.183 30.6-167.6 -54.5 136.0 40.7 5.3 35.0 88 89 A T > - 0 0 20 -81,-0.1 4,-2.5 -80,-0.1 -1,-0.1 -0.707 40.4 -96.7-116.7 172.7 39.1 6.8 31.9 89 90 A h T 4 S+ 0 0 36 -2,-0.2 21,-1.1 1,-0.2 22,-0.3 0.898 127.0 48.3 -51.8 -41.6 38.2 5.4 28.5 90 91 A a T 4 S+ 0 0 31 1,-0.2 20,-0.4 19,-0.2 -1,-0.2 0.918 116.3 38.3 -67.0 -49.3 41.5 6.9 27.3 91 92 A T T 4 S+ 0 0 54 19,-0.1 -2,-0.2 -5,-0.1 -1,-0.2 0.656 97.5 101.5 -82.1 -16.8 43.8 5.6 30.1 92 93 A G S < S- 0 0 0 -4,-2.5 19,-3.5 1,-0.1 18,-1.0 -0.180 82.6 -94.0 -57.9 160.7 41.9 2.3 30.2 93 94 A Y B > -i 111 0F 74 16,-0.3 3,-1.5 17,-0.2 16,-1.1 -0.612 31.1-109.3 -88.2 138.5 43.5 -0.7 28.4 94 95 A K T 3 S+ 0 0 37 17,-2.3 16,-0.2 -2,-0.3 19,-0.1 -0.309 109.2 27.7 -50.1 141.1 42.9 -1.9 24.8 95 96 A G T 3 S+ 0 0 4 14,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.649 100.6 109.4 70.0 13.2 41.0 -5.2 24.9 96 97 A c < - 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