==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 04-JAN-12 3VCI . COMPND 2 MOLECULE: THAUMATIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR L.BELMONTE,E.PECHKOVA,D.SCUDIERI,C.NICOLINI . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9924.0 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 27 0, 0.0 40,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.9 -17.0 7.4 10.0 2 2 A T E -A 40 0A 50 38,-0.2 197,-2.7 195,-0.1 2,-0.5 -0.835 360.0-169.7-103.6 140.2 -15.6 9.4 12.9 3 3 A F E -Ab 39 199A 0 36,-2.0 36,-2.7 -2,-0.4 2,-0.6 -0.989 9.6-154.8-123.1 117.2 -14.0 12.7 12.6 4 4 A E E -Ab 38 200A 54 195,-3.0 197,-2.7 -2,-0.5 2,-0.5 -0.835 11.1-160.0 -87.1 126.4 -12.2 14.1 15.6 5 5 A I E -Ab 37 201A 0 32,-2.9 32,-2.6 -2,-0.6 2,-0.4 -0.932 10.5-172.0-113.1 122.2 -12.1 17.9 15.3 6 6 A V E -Ab 36 202A 16 195,-2.8 197,-2.8 -2,-0.5 2,-0.8 -0.926 17.4-149.0-121.5 127.9 -9.4 19.5 17.4 7 7 A N E + b 0 203A 0 28,-3.0 27,-2.8 -2,-0.4 197,-0.1 -0.872 25.9 162.0 -97.0 106.0 -8.9 23.2 18.1 8 8 A R + 0 0 142 195,-2.3 196,-0.2 -2,-0.8 -1,-0.1 0.400 42.9 112.6 -99.9 -0.9 -5.2 23.9 18.6 9 9 A a S S- 0 0 2 194,-0.3 25,-0.2 1,-0.1 4,-0.1 -0.326 76.5-124.8 -62.5 156.4 -5.6 27.7 17.9 10 10 A S S S+ 0 0 112 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.584 93.6 62.3 -76.3 -10.1 -5.1 30.1 20.9 11 11 A Y S S- 0 0 96 21,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.742 95.2 -95.8-113.3 161.6 -8.6 31.5 20.2 12 12 A T - 0 0 42 -2,-0.3 43,-0.5 20,-0.1 2,-0.3 -0.529 39.3-171.7 -71.2 138.2 -12.1 29.9 20.3 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.3 -2,-0.2 2,-0.6 -0.909 22.2-135.7-122.2 161.8 -13.5 28.6 17.0 14 14 A W E -EF 30 53B 33 39,-2.2 39,-1.4 -2,-0.3 16,-0.3 -0.951 27.4-144.6-114.7 104.9 -17.0 27.3 16.2 15 15 A A E -EF 29 52B 0 14,-1.7 14,-1.6 -2,-0.6 2,-0.3 -0.310 15.9-164.7 -65.1 149.4 -16.5 24.2 14.1 16 16 A A E -EF 28 51B 0 35,-2.5 35,-2.1 12,-0.2 2,-0.3 -0.994 10.3-174.2-138.3 145.8 -19.1 23.5 11.4 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.0 -2,-0.3 2,-0.3 -0.971 19.5 144.4-144.0 128.1 -19.9 20.4 9.4 18 18 A S E -EF 23 49B 0 31,-2.4 31,-2.6 -2,-0.3 5,-0.2 -0.977 45.0-145.7-156.4 159.5 -22.3 20.1 6.5 19 19 A K - 0 0 78 3,-2.7 4,-0.1 -2,-0.3 60,-0.1 0.236 63.5 -99.2-117.1 13.2 -23.0 18.4 3.2 20 20 A G S S+ 0 0 19 2,-0.6 60,-0.4 29,-0.1 3,-0.1 -0.123 117.0 39.4 109.9 -38.1 -24.7 21.5 1.7 21 21 A D S S+ 0 0 105 1,-0.2 2,-0.3 58,-0.1 58,-0.1 0.283 123.3 26.8-123.1 1.8 -28.4 20.6 2.1 22 22 A A S S- 0 0 35 5,-0.0 -3,-2.7 55,-0.0 -2,-0.6 -0.981 80.3-102.9-159.2 151.9 -28.0 19.0 5.6 23 23 A A E -E 18 0B 34 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.424 28.2-130.3 -64.3 150.9 -25.9 19.0 8.8 24 24 A L E > S- 0 0 9 -7,-2.0 3,-2.1 53,-0.2 -7,-0.1 -0.944 76.3 -35.4 -99.1 127.2 -23.4 16.3 9.4 25 25 A D E 3 S- 0 0 73 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.265 134.2 -17.2 55.3-140.2 -24.0 15.1 13.0 26 26 A A E 3 S- 0 0 30 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.621 89.3-135.6 -70.6 -8.9 -25.0 18.1 15.2 27 27 A G E < + 0 0 0 -3,-2.1 -10,-2.2 49,-0.1 50,-0.6 0.120 69.0 20.6 81.2 -21.4 -23.6 20.4 12.4 28 28 A G E +E 16 0B 4 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.952 54.9 168.0-176.4 151.9 -21.8 22.8 14.7 29 29 A R E -E 15 0B 86 -14,-1.6 -14,-1.7 -2,-0.3 2,-0.2 -0.931 37.3-101.5-169.4 146.1 -20.2 23.4 18.1 30 30 A Q E -E 14 0B 85 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.546 31.7-169.0 -69.2 132.0 -18.0 25.8 20.1 31 31 A L E -E 13 0B 0 -18,-3.3 -18,-2.3 -2,-0.2 3,-0.1 -0.928 6.9-156.1-123.5 108.0 -14.4 24.6 20.5 32 32 A N > - 0 0 62 -2,-0.4 3,-2.2 -20,-0.2 -25,-0.3 -0.258 50.5 -60.9 -69.1 169.3 -12.3 26.5 23.0 33 33 A S T 3 S+ 0 0 69 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.328 128.8 10.9 -54.7 119.7 -8.5 26.4 22.7 34 34 A G T 3 S+ 0 0 52 -27,-2.8 -1,-0.3 1,-0.3 -26,-0.1 0.138 96.0 131.7 95.3 -21.4 -7.5 22.8 23.1 35 35 A E < - 0 0 68 -3,-2.2 -28,-3.0 -29,-0.1 2,-0.3 -0.356 40.2-154.0 -70.3 154.9 -10.9 21.2 22.9 36 36 A S E -A 6 0A 54 -30,-0.2 2,-0.4 166,-0.0 -30,-0.2 -0.949 6.2-168.0-125.4 142.9 -11.8 18.2 20.7 37 37 A W E -A 5 0A 22 -32,-2.6 -32,-2.9 -2,-0.3 2,-0.5 -0.998 9.5-154.7-131.6 122.2 -15.3 17.3 19.3 38 38 A T E -A 4 0A 72 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.877 16.2-175.3-104.1 126.7 -15.8 13.9 17.8 39 39 A I E -A 3 0A 0 -36,-2.7 -36,-2.0 -2,-0.5 2,-0.5 -0.838 20.8-132.5-115.5 159.8 -18.6 13.6 15.2 40 40 A N E -A 2 0A 95 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.3 -0.964 18.1-163.9-112.8 123.3 -20.1 10.7 13.3 41 41 A V - 0 0 4 -40,-3.2 4,-0.1 -2,-0.5 3,-0.1 -0.911 27.4-111.3-106.1 129.0 -20.6 11.1 9.6 42 42 A E > - 0 0 157 -2,-0.5 3,-1.4 2,-0.1 50,-0.2 -0.298 38.7-106.8 -52.4 134.8 -22.9 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 -0.303 106.9 36.0 -57.7 149.3 -21.0 6.3 5.3 44 44 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.460 77.4 158.5 79.6 1.7 -21.5 7.3 1.6 45 45 A T < - 0 0 9 -3,-1.4 47,-3.3 -4,-0.1 2,-0.4 -0.448 24.8-160.4 -57.3 120.7 -21.6 11.0 2.5 46 46 A N + 0 0 100 -2,-0.3 45,-0.2 45,-0.2 -1,-0.0 -0.901 64.9 6.2-111.1 129.5 -20.7 12.8 -0.8 47 47 A G S S+ 0 0 28 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.871 81.9 167.5 70.9 37.1 -19.4 16.4 -0.8 48 48 A G E - G 0 90B 0 42,-2.4 42,-1.8 -3,-0.3 2,-0.4 -0.450 13.5-166.7 -78.2 153.5 -19.1 16.9 3.0 49 49 A K E -FG 18 89B 39 -31,-2.6 -31,-2.4 40,-0.2 2,-0.4 -0.999 11.9-167.3-140.5 150.0 -17.2 19.9 4.3 50 50 A I E +FG 17 88B 0 38,-2.0 38,-2.5 -2,-0.4 2,-0.3 -0.988 21.7 155.7-130.0 139.4 -15.8 20.8 7.7 51 51 A W E -F 16 0B 0 -35,-2.1 -35,-2.5 -2,-0.4 2,-0.3 -0.956 35.7-108.9-153.8 175.5 -14.6 24.3 8.6 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.850 19.7-154.6-110.9 145.3 -14.0 26.8 11.4 53 53 A R E -F 14 0B 0 -39,-1.4 -39,-2.2 -2,-0.3 2,-0.3 -0.945 13.4-151.5-118.7 141.6 -15.9 29.9 12.2 54 54 A T E +K 68 0C 14 14,-0.7 13,-1.8 -2,-0.4 14,-0.9 -0.844 62.1 7.9-117.3 150.8 -14.4 32.9 14.0 55 55 A D E S+ 0 0 90 -43,-0.5 12,-0.6 -2,-0.3 2,-0.3 0.943 80.5 170.5 50.5 64.4 -15.7 35.6 16.3 56 56 A b E -K 66 0C 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.711 26.8-162.5-106.6 153.6 -19.2 34.3 16.7 57 57 A Y E +K 65 0C 168 8,-2.1 8,-2.2 -2,-0.3 2,-0.4 -0.983 14.0 178.1-134.3 123.1 -22.1 35.4 19.0 58 58 A F E -K 64 0C 46 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.961 16.8-143.1-120.6 141.9 -25.0 33.0 19.5 59 59 A D > - 0 0 89 4,-2.3 3,-1.9 -2,-0.4 5,-0.0 -0.327 44.4 -80.7 -87.4-177.0 -28.0 33.5 21.8 60 60 A D T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.680 131.1 52.9 -59.7 -25.2 -29.8 30.8 23.8 61 61 A S T 3 S- 0 0 96 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.494 120.2-109.1 -86.5 -3.9 -31.8 29.5 20.8 62 62 A G S < S+ 0 0 15 -3,-1.9 13,-2.0 1,-0.3 2,-0.4 0.802 76.5 129.0 78.2 32.0 -28.5 29.1 18.8 63 63 A S B +L 74 0D 51 11,-0.2 -4,-2.3 12,-0.1 -1,-0.3 -0.948 27.2 93.3-113.0 140.1 -29.0 32.0 16.4 64 64 A G E -K 58 0C 30 9,-2.9 2,-0.3 -2,-0.4 -6,-0.2 -0.848 61.5 -73.3 178.4-138.8 -26.5 34.7 15.8 65 65 A I E -K 57 0C 108 -8,-2.2 -8,-2.1 -2,-0.3 2,-0.3 -0.997 19.7-155.4-152.9 153.2 -23.6 35.6 13.6 66 66 A b E -K 56 0C 8 -2,-0.3 4,-0.3 -10,-0.2 -10,-0.2 -0.963 21.5-136.5-129.5 143.9 -20.0 34.8 12.8 67 67 A K E S+ 0 0 123 -13,-1.8 2,-0.3 -12,-0.6 -12,-0.2 0.733 94.6 19.5 -70.9 -24.5 -17.3 37.0 11.2 68 68 A T E S+K 54 0C 3 -14,-0.9 -14,-0.7 -3,-0.0 -1,-0.2 -0.989 127.1 15.9-142.4 143.6 -16.1 34.2 8.9 69 69 A G S S+ 0 0 0 13,-2.2 -2,-0.1 -2,-0.3 16,-0.1 0.532 72.3 171.2 76.5 8.6 -17.9 31.0 7.8 70 70 A D - 0 0 28 -4,-0.3 12,-2.4 12,-0.3 2,-0.7 -0.254 19.6-161.2 -57.1 131.3 -21.4 32.0 8.9 71 71 A c S > S- 0 0 3 3,-0.4 3,-1.5 10,-0.3 7,-0.2 -0.870 71.5 -50.9-116.1 85.9 -23.9 29.4 7.7 72 72 A G T 3 S- 0 0 74 -2,-0.7 -2,-0.1 1,-0.2 -8,-0.1 0.710 98.4 -66.6 50.5 30.5 -27.2 31.4 7.9 73 73 A G T 3 S+ 0 0 10 1,-0.2 -9,-2.9 -10,-0.1 2,-0.3 0.652 99.2 131.6 72.8 15.9 -26.7 32.6 11.5 74 74 A L B < -L 63 0D 51 -3,-1.5 -3,-0.4 -11,-0.2 -1,-0.2 -0.801 53.7-152.6-105.6 143.3 -27.1 29.1 13.0 75 75 A L S S+ 0 0 51 -13,-2.0 2,-1.1 -2,-0.3 -1,-0.1 0.915 99.4 53.6 -71.5 -46.0 -24.8 27.4 15.6 76 76 A R S S- 0 0 155 -14,-0.3 -1,-0.3 -60,-0.1 -48,-0.2 -0.741 96.1-144.0 -93.3 91.0 -25.8 24.1 14.2 77 77 A c + 0 0 0 -2,-1.1 -53,-0.2 -50,-0.6 -60,-0.2 -0.258 30.4 172.1 -64.9 139.1 -25.0 24.5 10.5 78 78 A K + 0 0 123 -7,-0.2 2,-0.3 -55,-0.1 -59,-0.2 0.378 69.6 31.8-119.4 -10.4 -27.2 23.0 7.8 79 79 A R S S- 0 0 156 -58,-0.1 -58,-0.1 -8,-0.1 -62,-0.1 -0.881 98.1 -69.9-139.2 175.6 -25.6 24.6 4.7 80 80 A F - 0 0 86 -60,-0.4 -8,-0.2 -2,-0.3 2,-0.2 -0.162 54.6-108.8 -69.7 157.0 -22.2 25.8 3.6 81 81 A G - 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