==== 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 3V7V . 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) . 9866.0 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,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.2 -16.9 7.3 10.1 2 2 A T E -A 40 0A 50 38,-0.2 197,-2.6 36,-0.0 2,-0.4 -0.826 360.0-169.6-100.9 139.2 -15.5 9.4 13.0 3 3 A F E -Ab 39 199A 0 36,-2.1 36,-2.9 -2,-0.4 2,-0.7 -0.992 11.6-152.3-124.1 116.2 -13.8 12.8 12.4 4 4 A E E -Ab 38 200A 58 195,-3.0 197,-2.6 -2,-0.4 2,-0.6 -0.836 10.4-157.7 -90.1 122.7 -12.1 14.1 15.5 5 5 A I E -Ab 37 201A 0 32,-2.7 32,-2.9 -2,-0.7 2,-0.5 -0.902 12.4-173.3-109.4 119.1 -12.1 17.9 15.3 6 6 A V E -Ab 36 202A 17 195,-2.8 197,-2.6 -2,-0.6 2,-0.9 -0.930 18.0-150.3-121.5 125.1 -9.4 19.5 17.4 7 7 A N E + b 0 203A 0 28,-3.2 27,-3.4 -2,-0.5 197,-0.1 -0.810 25.9 161.5 -95.1 100.2 -8.8 23.2 18.0 8 8 A R + 0 0 139 195,-2.1 196,-0.2 -2,-0.9 -1,-0.2 0.476 43.7 113.3 -89.7 -2.9 -5.0 23.8 18.6 9 9 A a S S- 0 0 2 194,-0.3 25,-0.2 1,-0.1 4,-0.1 -0.300 76.1-126.3 -63.9 156.4 -5.5 27.6 17.8 10 10 A S S S+ 0 0 111 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.564 92.9 61.3 -78.4 -11.5 -5.0 30.0 20.7 11 11 A Y S S- 0 0 93 21,-0.1 -2,-0.1 1,-0.0 2,-0.1 -0.821 95.5 -95.8-115.0 159.5 -8.5 31.4 20.0 12 12 A T - 0 0 44 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.374 39.6-173.8 -68.1 142.2 -12.0 29.9 20.1 13 13 A V E -E 31 0B 0 18,-2.0 18,-3.3 41,-0.1 2,-0.6 -0.920 23.5-133.7-128.3 162.7 -13.4 28.6 16.8 14 14 A W E -EF 30 53B 32 39,-2.1 39,-1.1 -2,-0.3 16,-0.3 -0.954 27.6-142.4-116.1 105.5 -16.9 27.2 16.1 15 15 A A E -EF 29 52B 0 14,-1.8 14,-1.4 -2,-0.6 2,-0.4 -0.291 18.2-166.2 -61.6 150.5 -16.4 24.1 14.1 16 16 A A E -EF 28 51B 0 35,-2.2 35,-2.0 12,-0.2 2,-0.3 -0.998 11.2-176.4-140.7 143.6 -18.9 23.4 11.3 17 17 A A E + F 0 50B 0 10,-2.3 7,-1.9 -2,-0.4 2,-0.3 -0.976 18.7 143.5-144.6 132.4 -19.7 20.3 9.3 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.2 -2,-0.3 5,-0.2 -0.978 45.6-143.3-158.5 155.2 -22.3 20.1 6.4 19 19 A K - 0 0 77 3,-2.5 4,-0.1 -2,-0.3 2,-0.1 0.162 63.4-101.0-113.0 15.3 -22.8 18.4 3.0 20 20 A G S S+ 0 0 18 2,-0.6 60,-0.3 29,-0.1 3,-0.1 -0.158 117.4 45.9 106.7 -38.5 -24.5 21.5 1.7 21 21 A D S S+ 0 0 101 1,-0.2 2,-0.3 58,-0.1 58,-0.1 0.342 121.7 19.9-114.1 2.2 -28.1 20.4 2.0 22 22 A A S S- 0 0 34 5,-0.0 -3,-2.5 55,-0.0 -2,-0.6 -0.981 80.4 -98.6-164.1 152.7 -27.9 19.0 5.5 23 23 A A E -E 18 0B 39 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.441 29.1-133.0 -63.9 150.1 -25.8 19.0 8.7 24 24 A L E > S- 0 0 9 -7,-1.9 3,-2.0 53,-0.3 -7,-0.1 -0.960 76.8 -33.0 -99.1 124.6 -23.3 16.3 9.3 25 25 A D E 3 S- 0 0 74 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.404 134.4 -19.5 62.2-140.8 -23.9 15.2 13.0 26 26 A A E 3 S- 0 0 29 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.652 88.5-135.7 -73.5 -12.6 -24.9 18.2 15.0 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.3 49,-0.1 50,-0.6 0.108 70.4 21.7 84.3 -21.2 -23.5 20.4 12.3 28 28 A G E +E 16 0B 3 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.950 55.3 166.6-173.6 150.6 -21.6 22.9 14.5 29 29 A R E -E 15 0B 87 -14,-1.4 -14,-1.8 -2,-0.3 2,-0.2 -0.892 39.0-100.9-168.5 149.5 -20.2 23.4 18.0 30 30 A Q E -E 14 0B 80 -16,-0.3 2,-0.5 -2,-0.3 -16,-0.3 -0.502 31.1-166.2 -71.8 135.6 -17.9 25.8 19.9 31 31 A L E -E 13 0B 0 -18,-3.3 -18,-2.0 -2,-0.2 3,-0.1 -0.907 6.5-155.3-123.2 105.6 -14.3 24.6 20.3 32 32 A N > - 0 0 61 -2,-0.5 3,-2.5 -20,-0.2 -25,-0.3 -0.261 50.1 -63.8 -67.7 170.9 -12.3 26.5 22.9 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.349 128.6 13.1 -56.5 118.3 -8.5 26.5 22.5 34 34 A G T 3 S+ 0 0 52 -27,-3.4 -1,-0.3 1,-0.3 -26,-0.1 0.125 95.1 131.5 102.2 -22.3 -7.5 22.9 23.0 35 35 A E < - 0 0 70 -3,-2.5 -28,-3.2 -28,-0.1 2,-0.4 -0.388 40.3-154.1 -75.0 154.3 -10.9 21.2 22.8 36 36 A S E -A 6 0A 54 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.956 7.2-171.7-123.5 138.3 -11.7 18.2 20.7 37 37 A W E -A 5 0A 25 -32,-2.9 -32,-2.7 -2,-0.4 2,-0.5 -0.988 10.9-153.8-134.0 117.5 -15.1 17.3 19.3 38 38 A T E -A 4 0A 68 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.815 14.8-171.8 -99.1 125.5 -15.7 13.9 17.6 39 39 A I E -A 3 0A 0 -36,-2.9 -36,-2.1 -2,-0.5 2,-0.5 -0.817 19.0-134.1-111.1 160.0 -18.4 13.7 15.1 40 40 A N E -A 2 0A 97 -2,-0.3 2,-0.5 -38,-0.2 -38,-0.2 -0.965 18.1-165.5-113.4 124.2 -19.9 10.8 13.2 41 41 A V - 0 0 4 -40,-3.3 4,-0.1 -2,-0.5 3,-0.1 -0.929 27.9-111.6-110.1 128.4 -20.4 11.1 9.5 42 42 A E > - 0 0 157 -2,-0.5 3,-1.3 2,-0.1 50,-0.2 -0.263 38.1-104.4 -57.2 137.3 -22.7 8.6 7.7 43 43 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.263 107.6 34.8 -55.3 149.4 -20.8 6.3 5.2 44 44 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.477 78.2 159.0 82.9 1.0 -21.4 7.3 1.6 45 45 A T < - 0 0 9 -3,-1.3 47,-2.8 -4,-0.1 2,-0.5 -0.443 24.3-160.3 -59.7 121.6 -21.4 11.0 2.4 46 46 A N + 0 0 98 -2,-0.3 45,-0.2 45,-0.2 -1,-0.0 -0.907 64.6 7.3-113.4 127.7 -20.6 12.8 -0.8 47 47 A G S S+ 0 0 27 -2,-0.5 44,-0.2 1,-0.2 -1,-0.2 0.868 82.1 169.5 75.8 35.7 -19.4 16.3 -0.9 48 48 A G E - G 0 90B 0 42,-2.6 42,-2.2 -3,-0.3 2,-0.3 -0.445 11.8-168.2 -78.3 151.7 -18.9 16.8 2.9 49 49 A K E -FG 18 89B 38 -31,-2.2 -31,-2.3 40,-0.2 2,-0.4 -0.997 12.7-169.9-142.4 146.1 -17.1 19.8 4.3 50 50 A I E +FG 17 88B 0 38,-2.1 38,-2.8 -2,-0.3 2,-0.3 -0.991 20.5 159.0-132.7 140.3 -15.7 20.8 7.7 51 51 A W E -F 16 0B 0 -35,-2.0 -35,-2.2 -2,-0.4 2,-0.4 -0.926 35.0-111.3-151.5 170.4 -14.5 24.2 8.5 52 52 A A E -F 15 0B 1 34,-0.5 2,-0.4 -2,-0.3 -37,-0.2 -0.864 21.5-156.4-104.9 148.3 -13.8 26.7 11.3 53 53 A R E -F 14 0B 0 -39,-1.1 -39,-2.1 -2,-0.4 2,-0.3 -0.949 11.3-151.6-121.4 145.2 -15.7 29.8 12.0 54 54 A T E +K 68 0C 17 14,-0.7 13,-1.8 -2,-0.4 14,-1.0 -0.862 62.1 9.8-119.4 153.9 -14.3 32.8 13.9 55 55 A D E S+ 0 0 90 -43,-0.4 12,-0.5 -2,-0.3 2,-0.3 0.917 79.6 168.1 46.3 61.9 -15.7 35.6 16.1 56 56 A b E -K 66 0C 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.670 25.8-163.7 -98.9 152.0 -19.2 34.2 16.5 57 57 A Y E -K 65 0C 167 8,-2.2 8,-2.3 -2,-0.3 2,-0.4 -0.989 12.2-179.8-133.0 127.2 -22.0 35.2 18.8 58 58 A F E -K 64 0C 48 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.964 16.9-141.2-123.1 145.5 -24.9 32.9 19.4 59 59 A D > - 0 0 88 4,-1.9 3,-2.0 -2,-0.4 4,-0.1 -0.320 45.9 -79.7 -88.6-177.4 -27.9 33.5 21.6 60 60 A D T 3 S+ 0 0 180 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.695 130.7 52.7 -63.6 -22.3 -29.6 30.8 23.7 61 61 A S T 3 S- 0 0 95 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.472 121.6-104.9 -86.9 -5.1 -31.5 29.3 20.6 62 62 A G S < S+ 0 0 15 -3,-2.0 13,-2.2 1,-0.3 2,-0.4 0.825 78.6 130.2 83.0 33.1 -28.3 29.0 18.6 63 63 A S B +L 74 0D 53 11,-0.2 -4,-1.9 12,-0.1 -1,-0.3 -0.974 26.8 90.7-116.9 132.5 -28.8 32.0 16.3 64 64 A G E -K 58 0C 31 9,-3.1 2,-0.3 -2,-0.4 -6,-0.2 -0.750 62.6 -74.5-177.5-135.3 -26.3 34.6 15.7 65 65 A I E -K 57 0C 104 -8,-2.3 -8,-2.2 -2,-0.2 2,-0.3 -0.993 18.4-154.1-158.3 149.0 -23.4 35.5 13.5 66 66 A b E -K 56 0C 7 -2,-0.3 4,-0.3 -10,-0.3 -10,-0.2 -0.956 20.3-137.9-124.7 145.1 -19.8 34.6 12.6 67 67 A K E S+ 0 0 122 -13,-1.8 2,-0.3 -12,-0.5 -12,-0.2 0.726 95.2 23.1 -72.7 -25.4 -17.2 36.9 11.0 68 68 A T E S+K 54 0C 3 -14,-1.0 -14,-0.7 1,-0.0 -1,-0.2 -0.992 128.5 11.5-136.1 143.0 -15.9 34.0 8.8 69 69 A G S S+ 0 0 0 13,-2.5 -2,-0.1 -2,-0.3 16,-0.1 0.539 72.4 172.3 79.0 6.7 -17.7 30.9 7.8 70 70 A D - 0 0 25 -4,-0.3 12,-2.0 11,-0.3 2,-0.8 -0.234 21.1-157.1 -55.8 131.4 -21.2 31.9 8.9 71 71 A c S > S- 0 0 3 3,-0.4 3,-1.8 10,-0.2 7,-0.2 -0.841 71.0 -53.5-113.3 86.2 -23.7 29.3 7.7 72 72 A G T 3 S- 0 0 73 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.775 99.1 -66.1 47.3 38.1 -27.0 31.4 7.7 73 73 A G T 3 S+ 0 0 9 1,-0.2 -9,-3.1 -10,-0.1 2,-0.3 0.579 99.1 132.5 64.6 14.9 -26.5 32.5 11.4 74 74 A L B < -L 63 0D 47 -3,-1.8 -3,-0.4 -11,-0.2 -11,-0.2 -0.777 52.9-151.1 -95.6 144.1 -26.9 29.0 12.9 75 75 A L S S+ 0 0 49 -13,-2.2 2,-1.2 -2,-0.3 -1,-0.1 0.932 99.7 54.3 -68.6 -46.2 -24.6 27.4 15.6 76 76 A R S S- 0 0 162 -14,-0.4 -1,-0.3 -48,-0.1 -48,-0.2 -0.701 95.5-142.9 -94.1 91.3 -25.6 24.1 14.1 77 77 A c + 0 0 0 -2,-1.2 -53,-0.3 -50,-0.6 -60,-0.2 -0.230 31.9 169.1 -62.6 136.9 -24.8 24.4 10.4 78 78 A K S S+ 0 0 128 -7,-0.2 2,-0.3 -55,-0.1 -59,-0.2 0.355 72.2 34.5-115.8 -12.6 -27.1 22.9 7.7 79 79 A R S S- 0 0 155 -58,-0.1 -58,-0.1 1,-0.1 -62,-0.1 -0.847 99.2 -73.9-135.8 172.8 -25.5 24.6 4.7 80 80 A F - 0 0 83 -60,-0.3 -8,-0.2 -2,-0.3 2,-0.2 -0.183 54.6-106.5 -69.6 161.7 -22.0 25.7 3.7 81 81 A G - 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