==== 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 3V88 . 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) . 9909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 58.0 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 . 15 7.2 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 28 0, 0.0 40,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.7 12.1 -21.6 10.0 2 2 A T E -A 40 0A 47 38,-0.2 197,-2.7 195,-0.1 2,-0.5 -0.807 360.0-168.6 -99.9 140.2 13.4 -19.6 12.9 3 3 A F E -Ab 39 199A 0 36,-2.1 36,-2.7 -2,-0.4 2,-0.6 -0.983 9.4-154.3-120.0 117.3 15.1 -16.3 12.5 4 4 A E E -Ab 38 200A 56 195,-3.1 197,-2.7 -2,-0.5 2,-0.6 -0.818 11.2-159.9 -85.5 127.5 16.9 -15.0 15.5 5 5 A I E -Ab 37 201A 0 32,-2.7 32,-2.3 -2,-0.6 2,-0.5 -0.930 10.3-172.1-113.8 116.2 16.9 -11.1 15.2 6 6 A V E -Ab 36 202A 16 195,-2.7 197,-2.7 -2,-0.6 2,-0.8 -0.897 16.8-149.9-114.7 128.8 19.6 -9.6 17.4 7 7 A N E + b 0 203A 0 28,-3.1 27,-3.0 -2,-0.5 197,-0.1 -0.856 25.1 162.8 -96.8 106.9 20.1 -5.8 18.0 8 8 A R + 0 0 139 195,-2.2 196,-0.2 -2,-0.8 -1,-0.1 0.376 41.6 113.6-100.9 2.7 23.8 -5.1 18.5 9 9 A a S S- 0 0 2 194,-0.2 25,-0.2 2,-0.1 4,-0.1 -0.372 75.9-125.5 -65.9 155.3 23.4 -1.4 17.9 10 10 A S S S+ 0 0 113 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.580 94.4 61.5 -74.2 -11.2 23.9 1.1 20.8 11 11 A Y S S- 0 0 97 21,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.762 95.5 -95.9-114.0 162.9 20.4 2.4 20.1 12 12 A T - 0 0 42 -2,-0.3 43,-0.5 20,-0.1 2,-0.3 -0.500 39.4-171.5 -72.2 140.5 17.0 0.8 20.2 13 13 A V E -E 31 0B 0 18,-2.4 18,-3.4 -2,-0.2 2,-0.6 -0.897 22.2-135.8-125.1 165.4 15.5 -0.5 17.0 14 14 A W E -EF 30 53B 33 39,-2.0 39,-1.3 -2,-0.3 16,-0.3 -0.946 26.8-145.5-120.7 103.5 12.1 -1.8 16.1 15 15 A A E -EF 29 52B 0 14,-1.8 14,-1.7 -2,-0.6 2,-0.3 -0.318 15.2-164.6 -68.6 148.8 12.5 -4.9 14.1 16 16 A A E -EF 28 51B 0 35,-2.4 35,-2.3 12,-0.2 2,-0.3 -0.990 9.9-173.9-136.1 145.9 10.0 -5.5 11.4 17 17 A A E + F 0 50B 0 10,-2.3 7,-1.7 -2,-0.3 2,-0.3 -0.977 20.6 143.2-143.2 129.2 9.2 -8.7 9.4 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.7 -2,-0.3 5,-0.2 -0.977 46.3-144.0-157.8 157.9 6.7 -8.9 6.5 19 19 A K - 0 0 77 3,-2.9 2,-0.2 -2,-0.3 4,-0.1 0.199 62.5-100.3-117.4 15.8 6.1 -10.5 3.1 20 20 A G S S+ 0 0 17 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.245 117.6 41.5 109.8 -43.3 4.4 -7.5 1.7 21 21 A D S S+ 0 0 98 -2,-0.2 2,-0.3 1,-0.2 58,-0.2 0.303 123.5 21.9-115.6 0.9 0.8 -8.4 2.1 22 22 A A S S- 0 0 36 5,-0.0 -3,-2.9 55,-0.0 -2,-0.5 -0.984 79.8 -99.7-160.6 156.5 1.1 -10.0 5.6 23 23 A A E -E 18 0B 35 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.441 26.8-132.4 -69.2 150.4 3.2 -10.0 8.7 24 24 A L E > S- 0 0 8 -7,-1.7 3,-2.1 53,-0.2 -7,-0.2 -0.946 76.1 -35.6 -97.1 128.4 5.6 -12.7 9.4 25 25 A D E 3 S- 0 0 76 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.292 134.2 -16.8 53.8-139.8 5.1 -13.9 13.0 26 26 A A E 3 S- 0 0 26 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.621 88.4-137.0 -69.6 -10.4 4.1 -10.9 15.1 27 27 A G E < + 0 0 0 -3,-2.1 -10,-2.3 49,-0.1 50,-0.5 0.091 69.8 23.5 80.5 -23.7 5.4 -8.6 12.3 28 28 A G E +E 16 0B 4 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.962 55.4 167.2-172.8 151.8 7.2 -6.2 14.6 29 29 A R E -E 15 0B 83 -14,-1.7 -14,-1.8 -2,-0.3 2,-0.3 -0.939 37.1-104.2-169.4 144.7 8.8 -5.6 18.0 30 30 A Q E -E 14 0B 83 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.577 32.0-168.4 -69.2 133.6 11.0 -3.2 20.0 31 31 A L E -E 13 0B 0 -18,-3.4 -18,-2.4 -2,-0.3 3,-0.1 -0.922 6.5-155.1-126.2 107.6 14.6 -4.5 20.5 32 32 A N > - 0 0 61 -2,-0.4 3,-2.8 -20,-0.2 -25,-0.3 -0.255 50.4 -61.9 -69.3 167.6 16.7 -2.6 23.0 33 33 A S T 3 S+ 0 0 70 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.307 129.1 11.5 -56.0 118.3 20.5 -2.6 22.6 34 34 A G T 3 S+ 0 0 51 -27,-3.0 -1,-0.3 1,-0.3 -26,-0.1 0.162 96.0 133.5 96.2 -16.5 21.5 -6.3 23.0 35 35 A E < - 0 0 71 -3,-2.8 -28,-3.1 -28,-0.1 2,-0.3 -0.363 39.1-155.3 -72.2 153.9 18.1 -7.8 22.8 36 36 A S E -A 6 0A 53 -30,-0.2 2,-0.4 166,-0.0 -30,-0.2 -0.955 6.6-168.8-123.7 143.1 17.2 -10.8 20.6 37 37 A W E -A 5 0A 23 -32,-2.3 -32,-2.7 -2,-0.3 2,-0.6 -0.994 9.3-154.8-131.8 119.5 13.8 -11.7 19.2 38 38 A T E -A 4 0A 70 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.862 16.5-173.9 -98.5 124.8 13.2 -15.2 17.7 39 39 A I E -A 3 0A 0 -36,-2.7 -36,-2.1 -2,-0.6 2,-0.5 -0.820 20.2-133.4-111.3 161.3 10.5 -15.4 15.1 40 40 A N E -A 2 0A 95 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.3 -0.968 18.1-164.6-114.2 122.5 9.0 -18.3 13.2 41 41 A V - 0 0 4 -40,-3.1 4,-0.1 -2,-0.5 3,-0.1 -0.913 27.6-112.0-107.6 126.9 8.5 -17.9 9.5 42 42 A E > - 0 0 160 -2,-0.5 3,-1.3 1,-0.1 50,-0.2 -0.291 38.9-106.3 -50.4 134.9 6.2 -20.4 7.7 43 43 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.332 107.0 37.1 -60.0 150.7 8.1 -22.7 5.2 44 44 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.489 77.9 160.5 80.6 2.5 7.6 -21.7 1.6 45 45 A T < - 0 0 8 -3,-1.3 47,-3.3 -4,-0.1 2,-0.5 -0.446 24.1-159.0 -58.3 119.6 7.6 -18.0 2.5 46 46 A N + 0 0 96 -2,-0.3 45,-0.2 45,-0.2 -1,-0.0 -0.894 64.3 2.6-108.4 129.5 8.3 -16.2 -0.7 47 47 A G S S+ 0 0 28 -2,-0.5 -1,-0.2 1,-0.2 44,-0.2 0.909 82.6 168.5 65.5 43.0 9.6 -12.6 -0.8 48 48 A G E - G 0 90B 0 42,-2.4 42,-1.9 -3,-0.3 2,-0.3 -0.518 12.8-167.1 -80.3 154.3 10.0 -12.2 2.9 49 49 A K E -FG 18 89B 37 -31,-2.7 -31,-2.2 40,-0.2 2,-0.4 -0.998 12.6-167.1-143.4 149.3 11.8 -9.2 4.3 50 50 A I E +FG 17 88B 0 38,-2.0 38,-2.5 -2,-0.3 2,-0.3 -0.992 22.0 157.1-131.6 138.1 13.2 -8.2 7.7 51 51 A W E -F 16 0B 0 -35,-2.3 -35,-2.4 -2,-0.4 2,-0.4 -0.954 34.6-110.1-150.3 176.2 14.4 -4.7 8.5 52 52 A A E -F 15 0B 0 34,-0.5 2,-0.4 -2,-0.3 -37,-0.2 -0.881 19.4-155.7-112.8 149.2 15.0 -2.3 11.3 53 53 A R E -F 14 0B 0 -39,-1.3 -39,-2.0 -2,-0.4 2,-0.3 -0.927 12.7-151.0-120.1 143.9 13.1 0.9 12.1 54 54 A T E +K 68 0C 15 14,-0.8 13,-1.5 -2,-0.4 14,-0.9 -0.842 62.1 8.4-118.2 153.9 14.6 3.8 14.0 55 55 A D E S+ 0 0 91 -43,-0.5 12,-0.9 -2,-0.3 2,-0.3 0.930 80.4 169.4 47.7 65.2 13.3 6.6 16.3 56 56 A b E -K 66 0C 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.700 26.9-162.8-106.7 154.5 9.8 5.3 16.7 57 57 A Y E +K 65 0C 167 8,-1.9 8,-2.1 -2,-0.3 2,-0.4 -0.983 12.9 179.7-134.8 125.4 6.9 6.2 19.0 58 58 A F E -K 64 0C 45 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.986 16.6-142.1-123.3 141.9 4.0 3.9 19.4 59 59 A D > - 0 0 88 4,-2.6 3,-1.6 -2,-0.4 5,-0.0 -0.212 43.9 -80.8 -84.1-173.4 1.0 4.4 21.6 60 60 A D T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.710 130.3 52.2 -65.7 -26.6 -0.7 1.7 23.7 61 61 A S T 3 S- 0 0 97 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.445 121.3-107.1 -84.8 -2.1 -2.7 0.3 20.8 62 62 A G S < S+ 0 0 16 -3,-1.6 13,-2.0 1,-0.3 2,-0.4 0.805 76.6 130.3 77.7 32.2 0.5 0.0 18.8 63 63 A S B +L 74 0D 53 11,-0.2 -4,-2.6 12,-0.1 -1,-0.3 -0.934 27.5 91.3-111.8 142.6 -0.0 2.9 16.4 64 64 A G E -K 58 0C 33 9,-3.4 2,-0.3 -2,-0.4 -6,-0.2 -0.853 61.0 -67.5 177.1-137.3 2.6 5.6 15.7 65 65 A I E -K 57 0C 107 -8,-2.1 -8,-1.9 -2,-0.3 2,-0.4 -0.997 20.3-158.4-154.5 147.1 5.5 6.6 13.5 66 66 A b E -K 56 0C 9 -2,-0.3 4,-0.4 -10,-0.2 -10,-0.2 -0.974 21.5-137.9-127.6 137.8 9.1 5.7 12.7 67 67 A K E S+ 0 0 124 -13,-1.5 2,-0.3 -12,-0.9 -12,-0.2 0.745 94.4 19.2 -66.4 -26.8 11.7 8.0 11.2 68 68 A T E S+K 54 0C 3 -14,-0.9 -14,-0.8 1,-0.0 -1,-0.2 -0.992 127.6 16.0-140.3 144.6 12.9 5.1 8.9 69 69 A G S S+ 0 0 0 13,-2.2 -2,-0.1 -2,-0.3 -16,-0.1 0.510 72.4 170.9 78.7 7.6 11.2 1.9 7.8 70 70 A D - 0 0 29 -4,-0.4 12,-2.2 12,-0.2 2,-0.7 -0.233 19.9-161.1 -56.8 131.1 7.7 2.9 8.9 71 71 A c S > S- 0 0 4 3,-0.4 3,-1.7 10,-0.2 7,-0.2 -0.881 71.3 -50.6-115.8 90.8 5.2 0.4 7.6 72 72 A G T 3 S- 0 0 71 -2,-0.7 -8,-0.1 1,-0.2 -2,-0.1 0.738 99.2 -66.8 46.6 33.7 1.9 2.4 7.8 73 73 A G T 3 S+ 0 0 9 1,-0.2 -9,-3.4 -10,-0.1 2,-0.4 0.617 98.6 132.8 69.5 15.1 2.4 3.5 11.4 74 74 A L B < -L 63 0D 48 -3,-1.7 -3,-0.4 -11,-0.2 3,-0.2 -0.820 52.8-153.5-103.3 136.9 2.0 0.0 13.0 75 75 A L S S+ 0 0 49 -13,-2.0 2,-1.2 -2,-0.4 -1,-0.1 0.943 99.8 53.7 -62.4 -50.7 4.3 -1.6 15.6 76 76 A R S S- 0 0 155 -14,-0.3 -1,-0.3 -3,-0.1 -48,-0.2 -0.687 96.3-144.3 -89.4 89.6 3.3 -5.0 14.2 77 77 A c + 0 0 0 -2,-1.2 -53,-0.2 -50,-0.5 -60,-0.2 -0.225 31.3 170.3 -60.8 137.8 4.0 -4.6 10.4 78 78 A K + 0 0 124 -7,-0.2 2,-0.3 -55,-0.1 -59,-0.2 0.408 69.6 34.5-117.9 -10.2 1.9 -6.1 7.7 79 79 A R S S- 0 0 147 -58,-0.2 -58,-0.1 1,-0.1 -62,-0.1 -0.833 98.2 -71.6-136.4 176.3 3.4 -4.4 4.7 80 80 A F - 0 0 83 -60,-0.4 -8,-0.2 -2,-0.3 2,-0.2 -0.188 54.4-106.5 -72.6 159.6 6.9 -3.2 3.6 81 81 A G - 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