==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 06-MAR-09 2WBZ . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.JAKONCIC,N.ASHERIE,C.GINSBERG . 206 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 27.7 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 . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 7.3 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 2 1 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 25 0, 0.0 40,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.3 7.8 -17.1 -10.0 2 2 A T E -A 40 0A 51 38,-0.2 197,-2.6 195,-0.1 2,-0.5 -0.811 360.0-173.5-102.1 130.8 9.7 -15.6 -12.9 3 3 A F E -Ab 39 199A 0 36,-2.5 36,-2.8 -2,-0.4 2,-0.6 -0.982 9.5-158.1-121.3 118.7 13.2 -14.1 -12.5 4 4 A E E -Ab 38 200A 53 195,-2.6 197,-2.3 -2,-0.5 2,-0.6 -0.859 9.3-160.2 -91.9 122.5 14.6 -12.3 -15.5 5 5 A I E -Ab 37 201A 0 32,-3.0 32,-2.2 -2,-0.6 2,-0.5 -0.933 11.4-171.7-108.0 118.1 18.4 -12.3 -15.1 6 6 A V E -Ab 36 202A 15 195,-3.0 197,-2.9 -2,-0.6 2,-0.9 -0.916 17.9-150.1-119.4 126.8 20.0 -9.6 -17.3 7 7 A N E + b 0 203A 0 28,-2.9 27,-3.3 -2,-0.5 28,-0.2 -0.825 25.5 162.2 -96.4 102.3 23.7 -9.0 -18.0 8 8 A R + 0 0 139 195,-2.1 196,-0.2 -2,-0.9 -1,-0.1 0.400 41.8 114.3 -93.7 1.0 24.2 -5.3 -18.6 9 9 A a S S- 0 0 2 2,-0.2 25,-0.2 194,-0.1 4,-0.1 -0.335 75.0-127.1 -67.0 154.9 28.0 -5.6 -17.9 10 10 A S S S+ 0 0 112 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.580 94.2 64.0 -74.9 -10.6 30.4 -5.0 -20.8 11 11 A Y S S- 0 0 90 21,-0.1 -2,-0.2 1,-0.0 2,-0.1 -0.798 96.0 -97.0-113.6 155.4 31.9 -8.4 -19.9 12 12 A T - 0 0 45 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.424 39.4-168.8 -66.6 141.1 30.4 -11.9 -20.1 13 13 A V E -E 31 0B 0 18,-2.4 18,-3.5 41,-0.1 2,-0.7 -0.944 21.6-137.0-127.0 156.9 29.0 -13.3 -16.9 14 14 A W E -EF 30 53B 30 39,-2.4 39,-1.1 -2,-0.3 16,-0.3 -0.935 28.1-145.3-110.1 101.8 27.9 -16.8 -16.1 15 15 A A E -EF 29 52B 0 14,-2.1 14,-1.7 -2,-0.7 2,-0.3 -0.365 16.0-165.3 -65.6 150.0 24.7 -16.4 -14.1 16 16 A A E -EF 28 51B 0 35,-2.2 35,-1.9 12,-0.2 2,-0.3 -0.991 12.0-175.4-138.6 145.2 24.0 -18.9 -11.3 17 17 A A E + F 0 50B 0 10,-2.1 7,-2.1 -2,-0.3 2,-0.3 -0.962 20.8 143.7-145.9 123.9 20.8 -19.8 -9.4 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.6 -2,-0.3 5,-0.2 -0.979 45.8-145.9-153.2 156.9 20.7 -22.2 -6.4 19 19 A K - 0 0 78 3,-2.4 2,-0.3 -2,-0.3 4,-0.1 0.111 62.8-102.1-113.5 19.0 19.0 -22.8 -3.1 20 20 A G S S+ 0 0 25 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.146 116.4 45.6 98.2 -40.6 22.2 -24.4 -1.7 21 21 A D S S+ 0 0 124 -2,-0.3 2,-0.3 1,-0.2 58,-0.2 0.232 122.1 19.4-114.0 9.5 21.2 -28.1 -2.0 22 22 A A S S- 0 0 33 56,-0.2 -3,-2.4 5,-0.0 -2,-0.5 -0.963 81.6 -96.4-169.7 152.9 19.8 -27.9 -5.5 23 23 A A E -E 18 0B 36 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.386 28.8-132.9 -66.3 153.0 19.7 -25.9 -8.7 24 24 A L E > S- 0 0 9 -7,-2.1 3,-2.1 53,-0.3 -7,-0.2 -0.974 76.6 -35.1-103.3 128.3 17.0 -23.4 -9.4 25 25 A D E 3 S- 0 0 77 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.310 134.7 -16.8 53.4-138.3 15.8 -23.9 -12.9 26 26 A A E 3 S- 0 0 25 1,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.608 88.5-131.5 -72.5 -11.2 18.9 -24.9 -15.0 27 27 A G E < S+ 0 0 0 -3,-2.1 -10,-2.1 49,-0.1 50,-0.6 0.046 72.7 16.8 88.1 -32.3 21.2 -23.6 -12.3 28 28 A G E +E 16 0B 3 -12,-0.2 2,-0.3 48,-0.2 -12,-0.2 -0.961 54.7 179.5-166.9 158.6 23.5 -21.6 -14.6 29 29 A R E -E 15 0B 122 -14,-1.7 -14,-2.1 -2,-0.3 2,-0.3 -0.949 33.3-111.6-161.1 140.1 23.9 -20.0 -18.0 30 30 A Q E -E 14 0B 87 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.2 -0.598 31.7-167.6 -70.0 131.7 26.4 -18.0 -19.9 31 31 A L E -E 13 0B 2 -18,-3.5 -18,-2.4 -2,-0.3 3,-0.1 -0.928 5.1-157.1-123.9 106.1 25.2 -14.4 -20.5 32 32 A N > - 0 0 62 -2,-0.5 3,-2.6 -20,-0.2 -25,-0.2 -0.271 53.0 -60.3 -66.7 166.4 27.2 -12.3 -23.0 33 33 A S T 3 S+ 0 0 69 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.322 129.7 12.8 -53.9 121.0 26.9 -8.5 -22.6 34 34 A G T 3 S+ 0 0 53 -27,-3.3 -1,-0.3 1,-0.3 -26,-0.1 0.206 95.9 131.8 96.8 -12.1 23.2 -7.6 -23.1 35 35 A E < - 0 0 85 -3,-2.6 -28,-2.9 -28,-0.2 2,-0.3 -0.399 38.9-157.8 -76.9 148.6 21.9 -11.1 -22.8 36 36 A S E -A 6 0A 58 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.917 5.9-163.3-124.7 150.8 18.9 -12.1 -20.6 37 37 A W E -A 5 0A 5 -32,-2.2 -32,-3.0 -2,-0.3 2,-0.6 -0.980 8.1-153.7-137.2 121.3 17.9 -15.4 -19.1 38 38 A T E -A 4 0A 72 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.857 19.1-178.0-100.2 123.0 14.4 -16.0 -17.7 39 39 A I E -A 3 0A 0 -36,-2.8 -36,-2.5 -2,-0.6 2,-0.5 -0.811 21.7-134.4-116.1 159.3 14.1 -18.7 -15.1 40 40 A N E -A 2 0A 98 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.3 -0.964 16.3-165.8-114.4 129.8 11.3 -20.2 -13.1 41 41 A V - 0 0 4 -40,-2.9 3,-0.1 -2,-0.5 4,-0.1 -0.968 28.0-112.4-115.7 129.9 11.6 -20.6 -9.4 42 42 A E > - 0 0 155 -2,-0.4 3,-1.5 1,-0.1 50,-0.2 -0.287 37.3-103.1 -62.6 137.9 9.1 -22.9 -7.6 43 43 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.280 108.0 34.2 -54.9 149.3 6.7 -21.1 -5.1 44 44 A G T 3 S+ 0 0 36 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.422 78.6 158.2 82.0 1.7 7.8 -21.6 -1.5 45 45 A T < - 0 0 13 -3,-1.5 47,-3.1 46,-0.1 2,-0.4 -0.390 24.8-159.7 -61.3 124.0 11.5 -21.6 -2.4 46 46 A N + 0 0 99 45,-0.2 45,-0.2 1,-0.2 -1,-0.1 -0.910 64.0 5.9-111.7 131.5 13.4 -20.7 0.8 47 47 A G S S+ 0 0 26 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.865 80.6 166.9 71.3 35.9 16.9 -19.4 0.8 48 48 A G E - G 0 90B 1 42,-2.6 42,-2.4 -3,-0.3 2,-0.3 -0.507 13.8-166.3 -77.6 151.1 17.4 -19.0 -2.9 49 49 A K E -FG 18 89B 40 -31,-2.6 -31,-2.3 40,-0.2 2,-0.4 -0.999 13.2-166.1-138.5 146.0 20.3 -17.1 -4.3 50 50 A I E +FG 17 88B 0 38,-2.4 38,-2.6 -2,-0.3 2,-0.3 -0.986 22.4 158.0-125.2 137.7 21.3 -15.6 -7.7 51 51 A W E -F 16 0B 1 -35,-1.9 -35,-2.2 -2,-0.4 2,-0.3 -0.957 35.3-113.0-150.2 168.4 24.8 -14.4 -8.5 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.807 20.5-156.2-103.2 147.3 27.2 -13.7 -11.3 53 53 A R E -F 14 0B 0 -39,-1.1 -39,-2.4 -2,-0.3 2,-0.3 -0.960 13.1-151.9-119.1 145.9 30.4 -15.7 -12.0 54 54 A T B +K 68 0C 16 14,-0.8 13,-2.0 -2,-0.4 14,-1.1 -0.835 61.8 11.4-122.0 153.8 33.3 -14.1 -13.9 55 55 A D S S+ 0 0 86 -43,-0.4 12,-0.4 -2,-0.3 2,-0.3 0.905 80.6 172.3 51.0 56.9 36.2 -15.4 -16.1 56 56 A b - 0 0 5 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.691 24.5-165.7 -97.7 151.4 34.8 -18.9 -16.5 57 57 A Y E +L 65 0D 175 8,-2.6 8,-2.1 -2,-0.3 2,-0.4 -0.990 13.6 176.4-133.1 123.9 36.0 -21.8 -18.7 58 58 A F E -L 64 0D 48 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.970 20.2-137.6-127.9 145.0 33.8 -24.8 -19.3 59 59 A D > - 0 0 88 4,-2.5 3,-2.1 -2,-0.4 4,-0.1 -0.285 45.9 -83.4 -86.2-178.9 34.2 -27.9 -21.5 60 60 A D T 3 S+ 0 0 181 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.768 128.8 55.3 -59.8 -27.5 31.4 -29.4 -23.6 61 61 A S T 3 S- 0 0 96 2,-0.1 -1,-0.3 14,-0.0 14,-0.1 0.409 120.9-104.5 -85.6 1.9 30.0 -31.4 -20.6 62 62 A G S < S+ 0 0 15 -3,-2.1 13,-2.7 1,-0.3 2,-0.4 0.760 79.2 128.1 82.9 25.6 29.6 -28.2 -18.5 63 63 A S B +M 74 0E 50 11,-0.2 -4,-2.5 12,-0.1 -1,-0.3 -0.928 28.0 84.1-116.7 139.2 32.6 -28.7 -16.2 64 64 A G E -L 58 0D 37 9,-3.1 2,-0.3 -2,-0.4 -6,-0.2 -0.825 63.8 -64.3 175.5-135.1 35.4 -26.2 -15.6 65 65 A I E -L 57 0D 102 -8,-2.1 -8,-2.6 -2,-0.2 2,-0.3 -0.984 21.6-160.8-150.1 152.2 36.3 -23.2 -13.4 66 66 A b - 0 0 8 -2,-0.3 4,-0.3 -10,-0.2 -10,-0.2 -0.972 21.8-137.6-132.5 150.4 35.4 -19.6 -12.7 67 67 A K S S+ 0 0 120 -13,-2.0 2,-0.4 -12,-0.4 -12,-0.2 0.800 93.7 25.4 -76.9 -27.8 37.5 -17.0 -11.0 68 68 A T B S+K 54 0C 3 -14,-1.1 -14,-0.8 1,-0.1 -1,-0.2 -0.995 128.7 8.1-132.3 141.8 34.6 -15.7 -8.9 69 69 A G S S+ 0 0 0 13,-2.3 -2,-0.1 -2,-0.4 16,-0.1 0.575 73.3 174.4 72.8 13.4 31.5 -17.6 -7.7 70 70 A D - 0 0 28 -4,-0.3 12,-2.2 12,-0.2 2,-0.7 -0.263 19.9-154.5 -52.6 131.1 32.6 -21.0 -8.9 71 71 A c > - 0 0 2 3,-0.5 3,-1.5 10,-0.2 7,-0.3 -0.749 69.3 -52.6-113.0 80.8 30.1 -23.7 -7.8 72 72 A G T 3 S- 0 0 38 -2,-0.7 -1,-0.1 1,-0.3 -8,-0.1 0.801 100.7 -66.0 56.7 31.7 32.1 -26.9 -7.7 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-3.1 -10,-0.1 2,-0.3 0.586 100.3 133.3 72.7 13.9 33.3 -26.4 -11.2 74 74 A L B < -M 63 0E 55 -3,-1.5 -3,-0.5 -11,-0.2 3,-0.2 -0.743 53.5-151.5-101.3 142.6 29.8 -26.7 -12.9 75 75 A L S S+ 0 0 40 -13,-2.7 2,-1.2 -2,-0.3 -1,-0.2 0.930 99.4 52.6 -65.5 -46.8 28.2 -24.5 -15.5 76 76 A R S S- 0 0 160 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.705 96.1-141.6 -97.4 87.9 24.8 -25.5 -14.1 77 77 A c + 0 0 0 -2,-1.2 -53,-0.3 -50,-0.6 -60,-0.2 -0.131 31.8 171.1 -56.0 135.5 25.2 -24.8 -10.4 78 78 A K S S+ 0 0 130 -7,-0.3 2,-0.3 -55,-0.1 -59,-0.2 0.448 71.9 31.9-113.7 -13.1 23.6 -27.1 -7.8 79 79 A R S S- 0 0 152 -58,-0.2 -58,-0.1 -8,-0.1 -62,-0.1 -0.813 98.8 -70.2-136.0 175.8 25.2 -25.4 -4.8 80 80 A F - 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