==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SWEET TASTING PROTEIN 10-JUN-94 1THV . COMPND 2 MOLECULE: THAUMATIN ISOFORM A; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR T.-P.KO,J.DAY,A.GREENWOOD,A.MCPHERSON . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 58.9 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 . 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 . 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 22 0, 0.0 40,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 156.6 -10.5 9.8 8.4 2 2 A T E -A 40 0A 51 38,-0.2 197,-2.3 195,-0.1 2,-0.5 -0.882 360.0-172.2-104.2 134.4 -11.0 6.2 9.3 3 3 A F E -Ab 39 199A 0 36,-2.6 36,-3.5 -2,-0.5 2,-0.6 -0.988 9.3-156.7-122.8 125.1 -8.9 4.4 11.8 4 4 A E E -Ab 38 200A 53 195,-2.3 197,-2.9 -2,-0.5 2,-0.6 -0.885 8.9-160.5 -98.8 119.0 -9.4 0.7 12.3 5 5 A I E -Ab 37 201A 0 32,-3.4 32,-2.4 -2,-0.6 2,-0.5 -0.934 11.0-172.0-107.9 120.2 -8.2 -0.4 15.7 6 6 A V E -Ab 36 202A 20 195,-2.7 197,-3.1 -2,-0.6 2,-0.9 -0.947 17.7-153.2-118.0 130.9 -7.5 -4.1 16.0 7 7 A N E + b 0 203A 0 28,-2.7 27,-2.6 -2,-0.5 197,-0.1 -0.848 25.0 161.0-102.4 101.0 -6.7 -6.2 19.1 8 8 A R + 0 0 114 195,-2.3 196,-0.2 -2,-0.9 -1,-0.2 0.371 41.8 113.9 -94.3 1.9 -4.6 -9.1 18.0 9 9 A a S S- 0 0 2 194,-0.3 25,-0.3 1,-0.1 4,-0.1 -0.240 74.1-127.2 -68.9 160.7 -3.4 -9.7 21.6 10 10 A S S S+ 0 0 115 23,-0.1 23,-0.3 2,-0.1 2,-0.2 0.707 94.1 61.9 -77.5 -22.3 -4.3 -12.8 23.5 11 11 A Y S S- 0 0 101 21,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.655 95.5-100.5-100.3 159.8 -5.6 -10.6 26.3 12 12 A T - 0 0 41 -2,-0.2 43,-0.4 21,-0.1 2,-0.3 -0.488 37.3-167.1 -74.5 148.9 -8.4 -8.0 26.2 13 13 A V E -E 31 0B 0 18,-2.2 18,-3.6 -2,-0.1 2,-0.7 -0.952 21.5-134.5-133.0 156.4 -7.5 -4.4 25.9 14 14 A W E -EF 30 53B 33 39,-2.3 39,-0.8 -2,-0.3 16,-0.2 -0.907 29.4-147.9-111.6 100.8 -9.5 -1.3 26.4 15 15 A A E -EF 29 52B 0 14,-1.9 14,-2.0 -2,-0.7 2,-0.3 -0.321 14.3-166.5 -70.2 149.3 -8.7 1.0 23.5 16 16 A A E -EF 28 51B 0 35,-2.3 35,-2.3 12,-0.2 2,-0.3 -0.993 11.6-176.8-140.6 148.8 -8.7 4.7 23.9 17 17 A A E + F 0 50B 0 10,-1.9 7,-2.0 -2,-0.3 2,-0.3 -0.986 19.9 144.2-149.5 125.9 -8.6 7.7 21.5 18 18 A S E -EF 23 49B 0 31,-1.9 31,-2.3 -2,-0.3 5,-0.2 -0.977 45.8-138.8-158.1 162.5 -8.5 11.3 22.5 19 19 A K - 0 0 93 3,-2.7 2,-0.2 59,-0.4 4,-0.1 0.132 63.2 -96.1-111.2 12.7 -7.1 14.6 21.4 20 20 A G S S+ 0 0 24 2,-0.5 60,-0.4 58,-0.3 3,-0.1 -0.168 119.2 38.8 105.4 -48.7 -6.2 15.7 24.9 21 21 A D S S+ 0 0 104 1,-0.2 2,-0.3 -2,-0.2 58,-0.2 0.221 123.2 23.8-123.3 13.9 -9.2 17.8 25.7 22 22 A A S S- 0 0 33 56,-0.7 -3,-2.7 5,-0.0 -2,-0.5 -0.958 81.4 -98.8-167.1 156.5 -11.9 15.6 24.1 23 23 A A E -E 18 0B 38 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.400 28.8-131.6 -73.9 157.5 -12.6 12.0 23.0 24 24 A L E > S- 0 0 12 -7,-2.0 3,-2.4 53,-0.3 -7,-0.2 -0.936 76.3 -31.8-106.4 128.7 -12.2 11.0 19.5 25 25 A D E 3 S- 0 0 87 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.430 136.0 -16.3 59.0-140.8 -15.2 9.1 18.4 26 26 A A E 3 S- 0 0 37 1,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.537 89.8-133.4 -70.9 -9.3 -16.7 7.2 21.5 27 27 A G E < S+ 0 0 0 -3,-2.4 -10,-1.9 49,-0.2 50,-0.6 0.060 71.9 15.7 83.5 -27.3 -13.3 7.8 23.2 28 28 A G E +E 16 0B 0 -12,-0.2 2,-0.3 48,-0.2 -12,-0.2 -0.967 57.7 174.7-171.5 158.9 -12.9 4.2 24.4 29 29 A R E -E 15 0B 79 -14,-2.0 -14,-1.9 -2,-0.3 2,-0.3 -0.940 34.8-104.7-171.0 143.4 -14.1 0.6 24.0 30 30 A Q E -E 14 0B 79 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.3 -0.570 31.9-166.3 -73.3 138.6 -13.4 -2.8 25.2 31 31 A L E -E 13 0B 0 -18,-3.6 -18,-2.2 -2,-0.3 3,-0.1 -0.900 3.6-157.5-132.2 103.9 -11.7 -5.0 22.7 32 32 A N > - 0 0 57 -2,-0.5 3,-2.6 -20,-0.2 -25,-0.2 -0.261 50.5 -66.2 -72.5 164.9 -11.5 -8.8 23.3 33 33 A S T 3 S+ 0 0 65 1,-0.3 -1,-0.2 -23,-0.3 -25,-0.2 -0.249 126.8 15.1 -52.5 129.6 -8.9 -10.7 21.6 34 34 A G T 3 S+ 0 0 57 -27,-2.6 -1,-0.3 -25,-0.3 -26,-0.1 0.173 97.1 123.3 93.2 -21.5 -9.5 -10.6 17.9 35 35 A E < - 0 0 67 -3,-2.6 -28,-2.7 -28,-0.1 2,-0.3 -0.387 41.2-158.9 -80.6 157.8 -12.0 -7.7 17.9 36 36 A S E -A 6 0A 56 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.884 6.1-155.3-132.9 158.9 -11.7 -4.5 16.0 37 37 A W E -A 5 0A 25 -32,-2.4 -32,-3.4 -2,-0.3 2,-0.6 -0.986 6.9-153.1-140.8 122.2 -13.1 -1.0 16.3 38 38 A T E -A 4 0A 82 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.873 19.4-175.1-102.6 121.4 -13.5 1.4 13.5 39 39 A I E -A 3 0A 1 -36,-3.5 -36,-2.6 -2,-0.6 2,-0.5 -0.834 22.4-133.3-118.2 157.4 -13.5 5.0 14.3 40 40 A N E -A 2 0A 96 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.2 -0.917 20.1-168.3-105.4 122.6 -14.0 8.2 12.5 41 41 A V - 0 0 1 -40,-2.9 3,-0.1 -2,-0.5 4,-0.1 -0.954 25.9-116.3-116.0 125.5 -11.5 11.0 13.2 42 42 A E > - 0 0 144 -2,-0.5 3,-1.9 1,-0.1 50,-0.2 -0.266 31.7-108.0 -59.4 140.6 -12.2 14.5 12.0 43 43 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.180 105.4 37.6 -61.8 147.9 -10.0 15.9 9.4 44 44 A G T 3 S+ 0 0 37 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.455 78.4 155.0 92.9 -12.7 -7.8 18.5 10.7 45 45 A T < - 0 0 12 -3,-1.9 47,-3.3 46,-0.1 2,-0.5 -0.355 23.9-165.2 -59.8 123.9 -7.3 16.7 14.0 46 46 A N + 0 0 96 45,-0.3 45,-0.2 -2,-0.2 -1,-0.1 -0.888 63.3 10.6-112.1 129.7 -4.1 17.8 15.5 47 47 A G S S+ 0 0 26 -2,-0.5 44,-0.2 43,-0.2 -1,-0.2 0.854 80.0 163.5 80.4 27.1 -2.4 16.0 18.4 48 48 A G E - G 0 90B 0 42,-2.2 42,-2.5 -3,-0.3 2,-0.3 -0.470 14.7-169.6 -78.9 151.6 -4.5 12.9 18.4 49 49 A K E -FG 18 89B 42 -31,-2.3 -31,-1.9 40,-0.2 2,-0.4 -0.997 12.4-164.5-141.5 147.3 -3.4 9.7 20.2 50 50 A I E +FG 17 88B 0 38,-2.1 38,-2.4 -2,-0.3 2,-0.3 -0.980 21.9 159.6-126.4 136.8 -4.6 6.2 20.4 51 51 A W E -F 16 0B 0 -35,-2.3 -35,-2.3 -2,-0.4 2,-0.3 -0.971 33.6-116.7-149.1 170.9 -3.4 3.7 23.1 52 52 A A E -F 15 0B 0 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.783 19.3-154.1-108.4 153.8 -4.4 0.5 24.7 53 53 A R E -F 14 0B 0 -39,-0.8 -39,-2.3 -2,-0.3 2,-0.3 -0.966 12.0-152.5-122.4 142.5 -5.2 0.1 28.4 54 54 A T E +K 68 0C 16 14,-0.9 13,-1.6 -2,-0.4 14,-1.3 -0.840 62.0 12.1-118.4 157.9 -4.8 -3.1 30.3 55 55 A D E S+ 0 0 105 -43,-0.4 12,-0.8 -2,-0.3 2,-0.3 0.945 81.6 162.3 52.4 56.8 -6.4 -4.8 33.3 56 56 A b E -K 66 0C 14 10,-0.2 2,-0.3 -3,-0.2 10,-0.3 -0.766 24.5-169.4-106.7 163.4 -9.4 -2.5 33.6 57 57 A Y E +K 65 0C 168 8,-2.0 8,-2.5 -2,-0.3 2,-0.3 -0.970 8.2 177.1-150.2 137.9 -12.7 -2.7 35.3 58 58 A F E -K 64 0C 45 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.949 21.2-126.7-136.3 156.7 -15.7 -0.6 35.0 59 59 A D > - 0 0 96 4,-2.7 3,-1.7 -2,-0.3 5,-0.0 -0.227 45.8 -86.8 -91.8-170.9 -19.2 -0.4 36.3 60 60 A D T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.751 128.7 59.1 -68.9 -23.0 -22.4 -0.1 34.5 61 61 A S T 3 S- 0 0 100 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.510 118.8-108.4 -78.6 -17.3 -21.9 3.6 34.6 62 62 A G S < S+ 0 0 15 -3,-1.7 13,-2.1 1,-0.3 2,-0.4 0.677 79.0 129.0 88.8 23.6 -18.5 3.5 32.6 63 63 A S B +L 74 0D 56 11,-0.2 -4,-2.7 12,-0.1 -1,-0.3 -0.912 27.8 83.8-111.5 136.9 -16.6 4.3 35.7 64 64 A G E -K 58 0C 24 9,-2.5 2,-0.3 -2,-0.4 -6,-0.2 -0.847 61.6 -77.0 174.2-140.2 -13.7 2.3 37.0 65 65 A I E -K 57 0C 59 -8,-2.5 -8,-2.0 -2,-0.2 2,-0.3 -0.974 17.7-153.8-163.9 147.9 -9.9 1.9 36.6 66 66 A b E -K 56 0C 1 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.940 20.6-135.5-124.6 149.3 -7.1 0.4 34.5 67 67 A K E S+ 0 0 130 -13,-1.6 2,-0.4 -12,-0.8 75,-0.2 0.740 94.2 28.1 -73.0 -33.7 -3.6 -0.8 35.4 68 68 A T E S+K 54 0C 2 -14,-1.3 -14,-0.9 1,-0.1 -1,-0.1 -0.986 127.3 6.2-133.0 143.4 -2.0 0.9 32.5 69 69 A G S S+ 0 0 0 13,-1.6 -2,-0.1 -2,-0.4 -1,-0.1 0.565 72.6 178.7 67.7 24.1 -3.1 3.9 30.6 70 70 A D - 0 0 5 -4,-0.4 12,-2.1 11,-0.2 2,-0.7 -0.249 18.1-154.5 -59.2 136.5 -6.0 5.0 32.8 71 71 A c > - 0 0 3 3,-0.4 3,-1.6 10,-0.2 7,-0.3 -0.756 68.0 -56.4-111.8 80.1 -7.7 8.2 31.6 72 72 A G T 3 S- 0 0 49 -2,-0.7 3,-0.1 1,-0.3 -8,-0.1 0.787 98.9 -61.6 58.5 31.3 -9.2 9.6 34.8 73 73 A G T 3 S+ 0 0 12 1,-0.2 -9,-2.5 -7,-0.1 2,-0.3 0.639 101.1 128.1 77.6 12.7 -11.2 6.5 35.6 74 74 A L B < -L 63 0D 74 -3,-1.6 -3,-0.4 -11,-0.2 -1,-0.2 -0.745 55.1-153.1-110.9 153.3 -13.4 6.5 32.5 75 75 A L S S+ 0 0 28 -13,-2.1 2,-1.1 -2,-0.3 -1,-0.2 0.931 97.2 55.6 -76.9 -47.3 -14.2 4.0 30.0 76 76 A R S S- 0 0 128 -14,-0.3 -1,-0.2 -3,-0.1 -48,-0.2 -0.718 94.3-138.9 -88.0 93.5 -14.8 6.6 27.4 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.6 -60,-0.2 -0.338 35.6 164.7 -62.8 133.0 -11.6 8.6 27.4 78 78 A K S S+ 0 0 112 -7,-0.3 -56,-0.7 -55,-0.1 -59,-0.4 0.697 71.6 32.0-107.0 -32.0 -11.7 12.4 27.2 79 79 A R S S- 0 0 147 -58,-0.2 -58,-0.1 -8,-0.2 -62,-0.1 -0.544 98.1 -75.7-118.9 175.4 -8.2 13.0 28.2 80 80 A F - 0 0 71 -60,-0.4 -8,-0.2 -2,-0.2 2,-0.1 -0.334 51.4-111.7 -75.9 158.7 -4.7 11.2 27.9 81 81 A G - 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