==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 22-DEC-11 3V82 . COMPND 2 MOLECULE: THAUMATIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR L.BELMONTE,D.SCUDIERI,S.TRIPATHI,E.PECHKOVA,C.NICOLINI . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9898.0 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 . 8 3.9 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 . 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 . 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 30 0, 0.0 40,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.5 -16.9 7.4 10.1 2 2 A T E -A 40 0A 49 38,-0.2 197,-2.6 195,-0.1 2,-0.4 -0.821 360.0-170.7-102.7 140.3 -15.5 9.4 13.0 3 3 A F E -Ab 39 199A 0 36,-1.9 36,-2.6 -2,-0.4 2,-0.7 -0.990 11.4-153.6-127.0 115.7 -13.9 12.8 12.5 4 4 A E E -Ab 38 200A 59 195,-2.6 197,-2.5 -2,-0.4 2,-0.6 -0.842 9.8-157.5 -90.6 125.3 -12.2 14.2 15.6 5 5 A I E -Ab 37 201A 0 32,-2.6 32,-3.0 -2,-0.7 2,-0.4 -0.918 12.1-173.5-110.4 119.8 -12.1 17.9 15.3 6 6 A V E -Ab 36 202A 17 195,-2.7 197,-2.7 -2,-0.6 2,-0.9 -0.923 17.9-149.4-119.9 127.0 -9.4 19.5 17.4 7 7 A N E + b 0 203A 0 28,-3.0 27,-3.3 -2,-0.4 28,-0.1 -0.832 24.8 164.1 -97.1 101.2 -8.8 23.2 18.0 8 8 A R + 0 0 141 195,-2.3 196,-0.2 -2,-0.9 -1,-0.2 0.453 44.0 114.2 -90.1 0.1 -5.1 23.8 18.5 9 9 A a S S- 0 0 2 194,-0.3 25,-0.2 1,-0.1 4,-0.1 -0.303 74.9-128.3 -66.3 156.9 -5.6 27.6 17.9 10 10 A S S S+ 0 0 113 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.587 92.9 61.1 -77.9 -12.8 -5.0 30.0 20.7 11 11 A Y S S- 0 0 92 21,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.794 95.7 -96.9-111.7 160.4 -8.5 31.5 20.0 12 12 A T - 0 0 44 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.400 39.9-174.0 -70.3 146.3 -12.0 29.9 20.1 13 13 A V E -E 31 0B 0 18,-2.0 18,-3.2 41,-0.1 2,-0.6 -0.928 23.6-133.0-133.6 163.6 -13.4 28.7 16.9 14 14 A W E -EF 30 53B 31 39,-2.1 39,-1.4 -2,-0.3 16,-0.3 -0.951 26.7-143.6-118.8 106.0 -16.9 27.3 16.1 15 15 A A E -EF 29 52B 0 14,-1.7 14,-1.5 -2,-0.6 2,-0.4 -0.325 17.2-166.2 -65.3 149.1 -16.4 24.1 14.0 16 16 A A E -EF 28 51B 0 35,-2.4 35,-2.0 12,-0.2 2,-0.3 -0.992 10.4-174.9-139.8 143.7 -19.0 23.5 11.3 17 17 A A E + F 0 50B 0 10,-2.4 7,-2.0 -2,-0.4 2,-0.3 -0.970 19.2 141.9-144.1 131.9 -19.8 20.4 9.3 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.6 -2,-0.3 5,-0.2 -0.975 45.7-142.9-159.6 156.5 -22.3 20.1 6.4 19 19 A K - 0 0 77 3,-2.2 4,-0.1 -2,-0.3 60,-0.1 0.104 64.4 -99.1-115.9 17.6 -22.8 18.5 3.0 20 20 A G S S+ 0 0 17 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.139 117.4 44.1 106.8 -35.5 -24.5 21.5 1.6 21 21 A D S S+ 0 0 101 1,-0.2 2,-0.3 58,-0.1 58,-0.1 0.328 121.1 23.2-120.3 1.4 -28.1 20.5 2.0 22 22 A A S S- 0 0 35 5,-0.0 -3,-2.2 55,-0.0 -2,-0.5 -0.984 81.0 -98.8-160.8 153.5 -27.9 19.1 5.5 23 23 A A E -E 18 0B 37 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.438 29.3-132.9 -63.4 150.3 -25.9 19.1 8.7 24 24 A L E > S- 0 0 9 -7,-2.0 3,-2.0 53,-0.3 -7,-0.2 -0.959 76.2 -34.2 -99.8 128.5 -23.3 16.4 9.3 25 25 A D E 3 S- 0 0 74 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.329 134.5 -19.5 56.6-138.9 -23.9 15.2 12.9 26 26 A A E 3 S- 0 0 29 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.709 89.1-135.6 -70.5 -16.8 -24.9 18.2 15.0 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.4 49,-0.1 50,-0.6 0.113 70.3 22.3 87.7 -20.5 -23.5 20.5 12.3 28 28 A G E +E 16 0B 3 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.937 55.1 166.8-177.8 144.7 -21.7 22.9 14.6 29 29 A R E -E 15 0B 86 -14,-1.5 -14,-1.7 -2,-0.3 2,-0.2 -0.913 38.9-101.7-165.8 144.4 -20.2 23.4 18.0 30 30 A Q E -E 14 0B 83 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.492 31.2-166.9 -64.6 135.4 -17.9 25.8 19.9 31 31 A L E -E 13 0B 0 -18,-3.2 -18,-2.0 -2,-0.2 3,-0.1 -0.909 6.3-156.8-124.3 103.9 -14.3 24.6 20.4 32 32 A N > - 0 0 62 -2,-0.4 3,-2.5 -20,-0.2 -25,-0.3 -0.266 51.2 -60.2 -68.1 172.3 -12.3 26.6 22.9 33 33 A S T 3 S+ 0 0 69 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.344 128.2 9.6 -57.8 117.4 -8.5 26.5 22.6 34 34 A G T 3 S+ 0 0 51 -27,-3.3 -1,-0.3 1,-0.3 -26,-0.1 0.204 94.9 132.4 97.8 -15.8 -7.4 22.8 22.9 35 35 A E < - 0 0 73 -3,-2.5 -28,-3.0 -28,-0.1 2,-0.4 -0.457 40.8-152.9 -74.6 155.9 -10.9 21.2 22.8 36 36 A S E -A 6 0A 52 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.960 7.2-169.8-124.4 139.2 -11.7 18.2 20.7 37 37 A W E -A 5 0A 24 -32,-3.0 -32,-2.6 -2,-0.4 2,-0.5 -0.989 10.2-153.4-132.8 117.6 -15.2 17.4 19.3 38 38 A T E -A 4 0A 69 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.836 15.4-174.3-100.9 126.1 -15.8 14.0 17.7 39 39 A I E -A 3 0A 0 -36,-2.6 -36,-1.9 -2,-0.5 2,-0.5 -0.820 20.1-133.3-112.2 157.3 -18.5 13.7 15.1 40 40 A N E -A 2 0A 93 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.3 -0.958 17.6-165.2-112.2 126.1 -20.0 10.8 13.2 41 41 A V - 0 0 4 -40,-3.2 4,-0.1 -2,-0.5 3,-0.1 -0.919 27.9-111.9-110.5 126.9 -20.5 11.2 9.5 42 42 A E > - 0 0 154 -2,-0.5 3,-1.4 1,-0.1 50,-0.2 -0.281 37.1-104.6 -57.0 137.6 -22.7 8.7 7.7 43 43 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.247 108.0 35.2 -55.0 151.6 -20.9 6.3 5.2 44 44 A G T 3 S+ 0 0 39 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.462 78.0 157.9 79.4 -1.2 -21.5 7.3 1.6 45 45 A T < - 0 0 8 -3,-1.4 47,-2.9 -4,-0.1 2,-0.5 -0.442 24.5-162.0 -58.1 117.5 -21.5 11.0 2.5 46 46 A N + 0 0 97 -2,-0.3 45,-0.2 45,-0.3 -1,-0.0 -0.888 64.8 9.4-107.9 127.9 -20.6 12.8 -0.8 47 47 A G S S+ 0 0 25 -2,-0.5 -1,-0.2 1,-0.2 44,-0.2 0.903 82.5 170.3 78.6 37.1 -19.4 16.4 -0.9 48 48 A G E - G 0 90B 0 42,-2.9 42,-2.1 -3,-0.3 2,-0.4 -0.499 11.2-168.6 -80.1 148.6 -18.9 16.8 2.9 49 49 A K E -FG 18 89B 39 -31,-2.6 -31,-2.3 40,-0.2 2,-0.4 -1.000 13.1-172.0-140.1 147.6 -17.2 19.8 4.3 50 50 A I E +FG 17 88B 0 38,-2.0 38,-2.7 -2,-0.4 2,-0.3 -0.992 20.1 155.9-133.1 141.6 -15.8 20.8 7.7 51 51 A W E -F 16 0B 0 -35,-2.0 -35,-2.4 -2,-0.4 2,-0.4 -0.931 35.9-108.7-154.1 171.9 -14.5 24.3 8.5 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.867 21.1-156.0-106.1 148.7 -13.8 26.7 11.3 53 53 A R E -F 14 0B 0 -39,-1.4 -39,-2.1 -2,-0.4 2,-0.3 -0.942 12.0-151.4-120.7 142.7 -15.7 29.9 12.0 54 54 A T E +K 68 0C 15 14,-0.8 13,-1.8 -2,-0.4 14,-1.0 -0.841 62.3 9.7-116.5 156.7 -14.3 32.8 13.9 55 55 A D E S+ 0 0 88 -43,-0.4 12,-0.6 -2,-0.3 2,-0.2 0.924 79.7 169.0 45.8 60.7 -15.7 35.6 16.2 56 56 A b E -K 66 0C 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.651 25.2-164.0 -95.6 153.5 -19.2 34.2 16.5 57 57 A Y E +K 65 0C 168 8,-2.3 8,-2.3 -2,-0.2 2,-0.4 -0.985 12.2 179.4-134.7 127.3 -22.0 35.3 18.9 58 58 A F E -K 64 0C 46 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.983 17.2-141.2-126.1 141.8 -24.9 33.0 19.4 59 59 A D > - 0 0 93 4,-2.2 3,-1.9 -2,-0.4 4,-0.1 -0.234 46.4 -77.8 -83.9-174.8 -27.9 33.6 21.6 60 60 A D T 3 S+ 0 0 181 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.712 131.0 51.3 -62.1 -24.8 -29.7 30.9 23.7 61 61 A S T 3 S- 0 0 95 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.437 121.9-103.4 -90.4 -3.3 -31.5 29.3 20.7 62 62 A G S < S+ 0 0 15 -3,-1.9 13,-2.0 1,-0.3 14,-0.4 0.859 78.9 129.6 81.6 37.4 -28.3 29.1 18.7 63 63 A S B +L 74 0D 53 11,-0.2 -4,-2.2 12,-0.1 -1,-0.3 -0.983 26.8 87.7-120.8 134.1 -28.8 32.0 16.3 64 64 A G E -K 58 0C 34 9,-2.8 2,-0.3 -2,-0.4 -6,-0.2 -0.789 63.9 -70.6 178.1-134.2 -26.3 34.8 15.7 65 65 A I E -K 57 0C 102 -8,-2.3 -8,-2.3 -2,-0.2 2,-0.3 -0.994 19.0-154.6-157.4 148.8 -23.4 35.6 13.5 66 66 A b E -K 56 0C 7 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.957 20.8-137.6-124.9 142.1 -19.8 34.7 12.7 67 67 A K E S+ 0 0 126 -13,-1.8 2,-0.3 -12,-0.6 -12,-0.2 0.712 95.1 22.9 -72.0 -23.3 -17.2 37.0 11.1 68 68 A T E S+K 54 0C 3 -14,-1.0 -14,-0.8 1,-0.0 -1,-0.2 -0.993 128.6 12.0-137.5 142.0 -15.9 34.1 8.8 69 69 A G S S+ 0 0 0 13,-2.4 -2,-0.1 -2,-0.3 16,-0.1 0.545 72.3 172.4 80.3 8.2 -17.8 31.0 7.8 70 70 A D - 0 0 26 -4,-0.4 12,-2.0 11,-0.3 2,-0.7 -0.211 20.9-157.0 -57.6 134.4 -21.2 32.0 8.9 71 71 A c S > S- 0 0 4 3,-0.4 3,-1.3 10,-0.2 7,-0.3 -0.724 70.5 -53.9-115.3 77.5 -23.8 29.4 7.8 72 72 A G T 3 S- 0 0 73 -2,-0.7 -2,-0.1 1,-0.2 9,-0.1 0.792 99.0 -65.1 61.5 32.5 -27.0 31.5 7.8 73 73 A G T 3 S+ 0 0 10 1,-0.2 -9,-2.8 -10,-0.1 2,-0.3 0.588 99.9 131.6 66.6 15.4 -26.5 32.6 11.4 74 74 A L B < -L 63 0D 47 -3,-1.3 -3,-0.4 -11,-0.2 3,-0.2 -0.757 53.4-152.4 -98.3 145.8 -26.9 29.1 12.9 75 75 A L S S+ 0 0 47 -13,-2.0 2,-1.2 -2,-0.3 -1,-0.2 0.907 99.1 55.3 -71.9 -43.1 -24.6 27.4 15.6 76 76 A R S S- 0 0 161 -14,-0.4 -1,-0.3 -3,-0.1 -48,-0.2 -0.689 94.2-144.5 -97.1 88.5 -25.6 24.2 14.1 77 77 A c + 0 0 0 -2,-1.2 -53,-0.3 -50,-0.6 -60,-0.2 -0.217 31.3 168.6 -58.5 134.2 -24.8 24.5 10.4 78 78 A K S S+ 0 0 126 -7,-0.3 2,-0.3 -55,-0.1 -59,-0.2 0.361 72.1 34.8-115.6 -10.3 -27.1 22.9 7.8 79 79 A R S S- 0 0 153 -58,-0.1 -58,-0.1 -8,-0.1 -62,-0.1 -0.842 99.5 -74.7-135.3 174.4 -25.5 24.6 4.8 80 80 A F - 0 0 84 -60,-0.4 2,-0.1 -2,-0.3 -8,-0.1 -0.238 54.0-107.6 -73.0 161.9 -22.0 25.8 3.8 81 81 A G - 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