==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 26-NOV-07 2VI1 . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR J.JAKONCIC,N.ASHERIE,C.GINSBERG . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 28.0 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 7.2 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+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 2 1 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 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 2 2 4 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 . 1 1 0 1 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 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 32 0, 0.0 40,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.6 -9.5 -4.8 -28.1 2 2 A T E -A 40 0A 50 38,-0.2 197,-2.5 36,-0.0 2,-0.5 -0.807 360.0-170.9 -94.5 134.2 -11.2 -7.5 -26.0 3 3 A F E -Ab 39 199A 0 36,-2.3 36,-2.6 -2,-0.4 2,-0.6 -0.978 9.4-157.6-124.1 114.4 -10.2 -8.1 -22.3 4 4 A E E -Ab 38 200A 59 195,-2.6 197,-2.5 -2,-0.5 2,-0.6 -0.838 7.6-160.5 -91.0 118.4 -11.8 -11.3 -20.8 5 5 A I E -Ab 37 201A 0 32,-3.0 32,-2.5 -2,-0.6 2,-0.5 -0.904 10.9-172.4-107.6 118.9 -11.8 -10.9 -17.0 6 6 A V E -Ab 36 202A 11 195,-3.0 197,-3.0 -2,-0.6 2,-0.8 -0.953 15.8-152.5-122.3 124.3 -12.2 -14.2 -15.3 7 7 A N E + b 0 203A 0 28,-2.9 27,-2.5 -2,-0.5 28,-0.2 -0.841 25.1 161.2 -99.8 103.6 -12.7 -14.8 -11.6 8 8 A R + 0 0 158 195,-2.3 196,-0.2 -2,-0.8 -1,-0.1 0.326 41.6 115.2 -97.3 4.9 -11.3 -18.2 -10.4 9 9 A a S S- 0 0 1 2,-0.2 25,-0.3 194,-0.1 4,-0.1 -0.329 77.5-122.4 -71.3 158.3 -11.2 -17.1 -6.8 10 10 A S S S+ 0 0 109 23,-0.1 2,-0.2 2,-0.1 23,-0.2 0.653 95.7 57.3 -67.9 -15.5 -13.4 -18.8 -4.2 11 11 A Y S S- 0 0 92 21,-0.1 -2,-0.2 1,-0.1 23,-0.2 -0.683 93.8 -92.6-121.1 157.0 -14.9 -15.3 -3.4 12 12 A T - 0 0 37 -2,-0.2 43,-0.4 21,-0.1 2,-0.4 -0.445 34.6-166.3 -67.9 141.1 -16.6 -12.6 -5.4 13 13 A V E -E 31 0B 0 18,-2.4 18,-3.2 -2,-0.1 2,-0.9 -0.979 18.7-140.9-122.5 147.5 -14.7 -9.8 -6.9 14 14 A W E -EF 30 53B 31 39,-2.7 39,-1.0 -2,-0.4 16,-0.3 -0.899 30.5-144.5-101.7 99.5 -16.2 -6.6 -8.3 15 15 A A E -EF 29 52B 0 14,-2.0 14,-1.7 -2,-0.9 2,-0.3 -0.350 16.5-164.2 -64.7 152.5 -14.0 -6.1 -11.3 16 16 A A E -EF 28 51B 0 35,-2.3 35,-1.9 12,-0.2 2,-0.3 -0.984 12.3-176.2-140.5 146.1 -13.1 -2.6 -12.3 17 17 A A E + F 0 50B 0 10,-2.1 7,-2.2 -2,-0.3 2,-0.3 -0.952 20.6 144.1-148.5 123.2 -11.7 -1.0 -15.5 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.5 -2,-0.3 5,-0.2 -0.982 46.4-144.5-152.9 159.0 -10.8 2.6 -15.9 19 19 A K - 0 0 83 3,-2.5 4,-0.1 -2,-0.3 60,-0.1 0.168 65.1 -98.0-112.5 16.4 -8.3 5.0 -17.6 20 20 A G S S+ 0 0 22 2,-0.5 60,-0.4 58,-0.2 3,-0.1 -0.142 117.6 41.9 104.4 -37.4 -8.4 7.3 -14.6 21 21 A D S S+ 0 0 97 1,-0.3 2,-0.3 58,-0.1 58,-0.2 0.220 122.0 23.0-120.3 7.1 -10.8 10.0 -15.8 22 22 A A S S- 0 0 34 56,-0.4 -3,-2.5 5,-0.0 -2,-0.5 -0.955 82.0 -96.7-164.5 155.0 -13.4 7.6 -17.4 23 23 A A E -E 18 0B 35 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.377 27.9-132.9 -64.9 151.7 -14.7 4.1 -17.3 24 24 A L E > S- 0 0 10 -7,-2.2 3,-2.3 53,-0.2 -7,-0.1 -0.952 78.1 -34.1 -98.9 126.6 -13.5 1.5 -19.8 25 25 A D E 3 S- 0 0 72 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.306 135.3 -16.2 56.9-136.8 -16.6 -0.3 -21.1 26 26 A A E 3 S- 0 0 20 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.565 88.3-133.1 -76.5 -9.5 -19.1 -0.4 -18.2 27 27 A G E < S+ 0 0 0 -3,-2.3 -10,-2.1 49,-0.2 50,-0.5 -0.013 72.2 16.8 86.7 -33.2 -16.4 0.4 -15.7 28 28 A G E +E 16 0B 4 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.970 55.4 175.5-166.0 158.8 -17.3 -2.3 -13.2 29 29 A R E -E 15 0B 124 -14,-1.7 -14,-2.0 -2,-0.3 2,-0.4 -0.939 35.1-108.2-163.8 141.8 -19.2 -5.5 -12.7 30 30 A Q E -E 14 0B 88 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.2 -0.600 31.4-170.7 -69.9 128.0 -19.8 -8.1 -10.0 31 31 A L E -E 13 0B 1 -18,-3.2 -18,-2.4 -2,-0.4 3,-0.1 -0.923 7.4-156.8-122.8 102.6 -18.1 -11.4 -10.8 32 32 A N > - 0 0 68 -2,-0.5 3,-2.8 -20,-0.2 -25,-0.2 -0.283 49.3 -63.3 -65.2 164.3 -19.0 -14.3 -8.4 33 33 A S T 3 S+ 0 0 65 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.293 129.2 17.2 -49.5 127.0 -16.6 -17.2 -8.1 34 34 A G T 3 S+ 0 0 61 -27,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.332 99.6 123.2 89.9 -4.5 -16.4 -18.8 -11.5 35 35 A E < - 0 0 85 -3,-2.8 -28,-2.9 -28,-0.2 2,-0.3 -0.575 42.0-158.7 -92.9 156.9 -17.8 -15.9 -13.5 36 36 A S E -A 6 0A 57 -30,-0.2 2,-0.4 -2,-0.2 -30,-0.2 -0.908 6.8-163.9-131.3 157.6 -16.3 -14.0 -16.4 37 37 A W E -A 5 0A 5 -32,-2.5 -32,-3.0 -2,-0.3 2,-0.6 -0.976 8.3-155.2-142.6 122.1 -16.9 -10.6 -18.0 38 38 A T E -A 4 0A 68 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.897 16.7-175.2-104.1 126.0 -15.6 -9.6 -21.4 39 39 A I E -A 3 0A 0 -36,-2.6 -36,-2.3 -2,-0.6 2,-0.5 -0.783 21.8-131.7-114.3 159.4 -15.1 -5.9 -22.0 40 40 A N E -A 2 0A 85 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.2 -0.964 18.7-165.1-109.6 126.8 -14.1 -3.9 -25.1 41 41 A V - 0 0 2 -40,-3.0 3,-0.1 -2,-0.5 -17,-0.1 -0.943 26.7-114.7-111.1 130.9 -11.3 -1.3 -24.6 42 42 A E > - 0 0 136 -2,-0.4 3,-1.6 1,-0.1 50,-0.2 -0.325 35.2 -99.8 -67.4 144.1 -10.9 1.3 -27.4 43 43 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.218 106.6 30.1 -57.1 151.1 -7.8 1.2 -29.5 44 44 A G T 3 S+ 0 0 32 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.376 79.7 156.0 79.6 -2.7 -5.2 3.8 -28.5 45 45 A T < - 0 0 16 -3,-1.6 47,-3.0 46,-0.1 2,-0.4 -0.357 23.1-165.1 -58.2 128.5 -6.2 3.7 -24.8 46 46 A N + 0 0 106 45,-0.3 45,-0.2 1,-0.2 -1,-0.0 -0.882 64.1 16.2-113.3 147.1 -3.2 4.8 -22.7 47 47 A G S S+ 0 0 29 -2,-0.4 2,-0.2 1,-0.2 44,-0.2 0.816 80.5 163.7 66.3 33.0 -3.0 4.3 -18.9 48 48 A G E - G 0 90B 0 42,-2.4 42,-2.4 -3,-0.2 2,-0.3 -0.542 14.4-170.8 -78.8 148.8 -5.7 1.8 -18.7 49 49 A K E -FG 18 89B 36 -31,-2.5 -31,-2.3 40,-0.2 2,-0.4 -0.999 14.1-166.3-141.7 144.5 -6.1 -0.4 -15.6 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.7 -2,-0.3 2,-0.3 -0.980 22.6 159.5-123.8 139.5 -8.1 -3.4 -14.5 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.4 -0.968 35.6-112.7-151.3 164.4 -8.4 -4.5 -10.9 52 52 A A E -F 15 0B 0 34,-0.5 2,-0.4 -2,-0.3 -37,-0.2 -0.803 20.6-156.5 -95.7 146.2 -10.4 -6.5 -8.5 53 53 A R E -F 14 0B 0 -39,-1.0 -39,-2.7 -2,-0.4 2,-0.3 -0.964 13.6-153.6-118.0 138.1 -12.4 -5.0 -5.6 54 54 A T E +K 68 0C 16 14,-0.6 14,-1.3 -2,-0.4 13,-1.3 -0.855 61.6 11.1-114.0 151.4 -13.2 -7.1 -2.6 55 55 A D E S+ 0 0 80 -43,-0.4 12,-1.4 -2,-0.3 2,-0.3 0.952 77.1 179.5 52.2 64.6 -16.0 -7.0 -0.0 56 56 A b E -K 66 0C 13 10,-0.3 2,-0.4 -3,-0.2 10,-0.3 -0.704 21.5-162.7 -97.9 148.9 -18.2 -4.5 -1.7 57 57 A Y E +K 65 0C 138 8,-2.8 8,-1.9 -2,-0.3 2,-0.4 -0.954 19.4 173.2-131.1 107.3 -21.6 -3.3 -0.4 58 58 A F E -K 64 0C 52 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.911 20.9-141.1-120.8 146.7 -23.7 -1.6 -3.0 59 59 A D > - 0 0 87 4,-2.9 3,-1.9 -2,-0.4 4,-0.0 -0.290 44.8 -83.9 -91.8-177.1 -27.3 -0.3 -2.9 60 60 A D T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.761 127.9 56.9 -61.9 -26.0 -29.8 -0.5 -5.7 61 61 A S T 3 S- 0 0 96 2,-0.1 -1,-0.3 14,-0.0 3,-0.1 0.494 120.3-104.7 -83.1 -4.2 -28.5 2.6 -7.3 62 62 A G S < S+ 0 0 16 -3,-1.9 13,-2.7 1,-0.3 14,-0.4 0.723 81.5 128.3 86.7 23.9 -24.9 1.2 -7.6 63 63 A S B +L 74 0D 55 11,-0.2 -4,-2.9 12,-0.1 -1,-0.3 -0.859 27.8 78.9-113.7 140.0 -23.6 3.4 -4.7 64 64 A G E -K 58 0C 30 9,-2.5 2,-0.3 -2,-0.3 -6,-0.2 -0.908 66.9 -72.1 166.4-129.6 -21.7 2.1 -1.7 65 65 A I E -K 57 0C 88 -8,-1.9 -8,-2.8 -2,-0.3 2,-0.3 -0.986 20.6-147.0-162.2 147.5 -18.2 1.0 -0.7 66 66 A b E -K 56 0C 7 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.3 -0.937 21.1-133.4-119.3 149.6 -15.6 -1.7 -1.1 67 67 A K E S+ 0 0 95 -12,-1.4 2,-0.3 -13,-1.3 75,-0.2 0.785 95.5 23.5 -72.1 -28.5 -13.0 -2.9 1.4 68 68 A T E S+K 54 0C 2 -14,-1.3 -14,-0.6 1,-0.1 -1,-0.2 -0.997 127.7 8.8-132.8 146.5 -10.3 -2.8 -1.3 69 69 A G S S+ 0 0 0 13,-1.9 -2,-0.1 -2,-0.3 16,-0.1 0.603 73.2 177.4 71.9 17.8 -10.1 -0.9 -4.6 70 70 A D - 0 0 19 -4,-0.4 12,-2.1 11,-0.2 2,-0.6 -0.234 17.6-155.8 -58.9 138.3 -13.1 1.4 -4.1 71 71 A c > - 0 0 2 3,-0.4 3,-1.6 10,-0.2 7,-0.3 -0.776 69.3 -50.5-117.3 83.3 -13.6 3.9 -6.9 72 72 A G T 3 S- 0 0 70 -2,-0.6 3,-0.1 1,-0.3 -8,-0.1 0.794 100.8 -67.1 60.0 28.8 -15.5 6.8 -5.5 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-2.5 -10,-0.1 2,-0.4 0.667 101.4 131.4 70.7 17.6 -18.1 4.5 -4.0 74 74 A L B < -L 63 0D 66 -3,-1.6 -3,-0.4 -11,-0.2 -1,-0.2 -0.832 56.6-150.0-107.1 146.6 -19.4 3.4 -7.4 75 75 A L S S+ 0 0 50 -13,-2.7 2,-1.1 -2,-0.4 -1,-0.2 0.935 99.2 52.6 -65.9 -48.1 -20.2 -0.0 -8.8 76 76 A R S S- 0 0 154 -14,-0.4 -1,-0.2 -60,-0.1 -48,-0.2 -0.752 95.6-140.0 -96.0 96.8 -19.4 1.2 -12.3 77 77 A c + 0 0 0 -2,-1.1 -53,-0.2 -50,-0.5 -60,-0.2 -0.320 35.3 167.1 -66.1 136.7 -15.9 2.8 -11.9 78 78 A K S S+ 0 0 125 -7,-0.3 -56,-0.4 -55,-0.1 -59,-0.3 0.580 72.1 38.4-109.8 -21.9 -15.0 6.0 -13.6 79 79 A R S S- 0 0 133 -58,-0.2 -58,-0.1 -8,-0.1 -62,-0.1 -0.679 96.5 -78.9-124.4 170.8 -11.8 6.6 -11.6 80 80 A F - 0 0 64 -60,-0.4 2,-0.2 -2,-0.2 -8,-0.2 -0.226 52.5-103.7 -71.8 163.3 -9.0 4.5 -10.2 81 81 A G - 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