==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 26-NOV-07 2VI2 . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . 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) . 9766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 58.7 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 . 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 . 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 28 0, 0.0 40,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.4 21.2 -11.9 -10.1 2 2 A T E -A 40 0A 48 38,-0.2 197,-2.6 195,-0.0 2,-0.5 -0.812 360.0-170.7-102.6 142.0 19.2 -13.4 -12.9 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-2.7 -2,-0.4 2,-0.6 -0.981 9.8-155.8-125.6 115.8 15.8 -15.0 -12.6 4 4 A E E -Ab 38 200A 55 195,-2.5 197,-2.4 -2,-0.5 2,-0.6 -0.845 11.0-159.8 -89.8 122.4 14.4 -16.8 -15.6 5 5 A I E -Ab 37 201A 0 32,-3.0 32,-2.6 -2,-0.6 2,-0.5 -0.929 11.4-171.6-108.2 118.8 10.6 -16.9 -15.2 6 6 A V E -Ab 36 202A 15 195,-3.0 197,-3.0 -2,-0.6 2,-0.9 -0.950 17.8-151.0-120.2 128.1 9.1 -19.6 -17.3 7 7 A N E + b 0 203A 0 28,-2.9 27,-3.3 -2,-0.5 28,-0.2 -0.829 25.0 162.7 -98.8 99.9 5.4 -20.2 -17.9 8 8 A R + 0 0 143 195,-2.1 196,-0.2 -2,-0.9 -1,-0.2 0.414 42.9 113.8 -91.2 0.3 4.8 -23.9 -18.6 9 9 A a S S- 0 0 1 194,-0.2 25,-0.2 2,-0.1 4,-0.1 -0.330 75.9-126.4 -66.2 157.6 1.1 -23.5 -17.9 10 10 A S S S+ 0 0 111 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.534 93.8 62.6 -78.7 -8.1 -1.4 -24.0 -20.7 11 11 A Y S S- 0 0 91 21,-0.1 -2,-0.1 1,-0.0 2,-0.1 -0.834 95.2 -97.3-115.6 154.4 -2.8 -20.6 -19.9 12 12 A T - 0 0 45 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.395 39.0-171.2 -63.8 142.2 -1.3 -17.1 -20.0 13 13 A V E -E 31 0B 0 18,-2.4 18,-3.3 41,-0.1 2,-0.6 -0.932 22.3-135.1-128.4 160.6 0.0 -15.7 -16.8 14 14 A W E -EF 30 53B 31 39,-2.4 39,-1.1 -2,-0.3 16,-0.3 -0.947 27.9-143.7-113.4 103.0 1.3 -12.2 -16.0 15 15 A A E -EF 29 52B 0 14,-2.0 14,-1.7 -2,-0.6 2,-0.3 -0.384 16.5-164.0 -65.1 150.7 4.5 -12.6 -14.1 16 16 A A E -EF 28 51B 0 35,-2.2 35,-1.9 12,-0.2 2,-0.3 -0.983 11.5-175.5-138.0 146.8 5.2 -10.2 -11.3 17 17 A A E + F 0 50B 0 10,-2.1 7,-2.3 -2,-0.3 2,-0.3 -0.957 21.1 141.8-148.3 121.6 8.3 -9.3 -9.3 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.5 -2,-0.3 5,-0.2 -0.983 46.8-145.0-152.9 158.4 8.5 -6.9 -6.4 19 19 A K - 0 0 78 3,-2.5 4,-0.1 -2,-0.3 2,-0.1 0.136 63.2-101.3-112.3 17.8 10.1 -6.3 -3.0 20 20 A G S S+ 0 0 16 2,-0.5 60,-0.3 29,-0.1 3,-0.1 -0.121 117.1 45.2 99.9 -36.7 6.9 -4.6 -1.7 21 21 A D S S+ 0 0 100 1,-0.2 2,-0.3 58,-0.1 58,-0.2 0.233 121.8 21.1-118.4 8.1 8.0 -1.0 -2.0 22 22 A A S S- 0 0 34 56,-0.3 -3,-2.5 5,-0.0 -2,-0.5 -0.963 80.8 -98.8-167.4 152.1 9.4 -1.2 -5.5 23 23 A A E -E 18 0B 37 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.411 28.6-132.7 -62.8 150.8 9.4 -3.2 -8.7 24 24 A L E > S- 0 0 10 -7,-2.3 3,-2.0 53,-0.3 -7,-0.1 -0.967 77.1 -33.9-100.9 127.3 12.1 -5.7 -9.4 25 25 A D E 3 S- 0 0 76 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.337 134.6 -18.7 56.8-138.8 13.3 -5.2 -12.9 26 26 A A E 3 S- 0 0 46 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.642 88.5-130.9 -72.9 -14.3 10.2 -4.1 -14.9 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.1 49,-0.2 50,-0.6 0.066 72.8 17.0 90.4 -26.8 7.9 -5.5 -12.2 28 28 A G E +E 16 0B 4 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.955 54.3 175.8-170.8 157.3 5.7 -7.5 -14.6 29 29 A R E -E 15 0B 84 -14,-1.7 -14,-2.0 -2,-0.3 2,-0.3 -0.943 35.5-105.4-162.9 146.1 5.2 -9.0 -18.0 30 30 A Q E -E 14 0B 83 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.2 -0.570 30.9-167.9 -70.3 134.4 2.8 -11.1 -19.9 31 31 A L E -E 13 0B 0 -18,-3.3 -18,-2.4 -2,-0.3 3,-0.1 -0.929 5.2-158.2-125.2 104.9 3.9 -14.7 -20.4 32 32 A N > - 0 0 63 -2,-0.5 3,-2.6 -20,-0.2 -25,-0.3 -0.274 52.8 -60.6 -65.2 166.0 1.9 -16.8 -22.9 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.329 129.7 13.1 -53.4 122.7 2.1 -20.5 -22.6 34 34 A G T 3 S+ 0 0 54 -27,-3.3 -1,-0.3 1,-0.3 -26,-0.1 0.225 95.7 132.7 94.7 -12.5 5.7 -21.5 -23.1 35 35 A E < - 0 0 74 -3,-2.6 -28,-2.9 -28,-0.2 2,-0.3 -0.424 38.7-157.5 -77.1 152.7 7.2 -18.0 -22.8 36 36 A S E -A 6 0A 51 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.952 5.7-168.1-128.8 143.5 10.2 -17.1 -20.7 37 37 A W E -A 5 0A 24 -32,-2.6 -32,-3.0 -2,-0.3 2,-0.6 -0.986 9.4-152.9-137.1 120.2 11.2 -13.8 -19.2 38 38 A T E -A 4 0A 72 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.864 16.8-174.8 -99.5 124.8 14.6 -13.1 -17.7 39 39 A I E -A 3 0A 0 -36,-2.7 -36,-2.4 -2,-0.6 2,-0.5 -0.764 20.0-133.8-113.2 158.6 14.9 -10.5 -15.1 40 40 A N E -A 2 0A 96 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.2 -0.963 17.8-166.6-113.1 128.2 17.8 -8.9 -13.2 41 41 A V - 0 0 5 -40,-3.0 3,-0.1 -2,-0.5 -17,-0.1 -0.956 27.1-112.9-116.2 130.7 17.5 -8.5 -9.5 42 42 A E > - 0 0 154 -2,-0.4 3,-1.6 1,-0.1 50,-0.2 -0.332 36.4-103.0 -64.2 138.6 20.0 -6.3 -7.6 43 43 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.251 107.6 33.8 -52.6 147.5 22.3 -8.0 -5.2 44 44 A G T 3 S+ 0 0 36 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.430 77.5 157.4 84.4 -0.7 21.3 -7.5 -1.6 45 45 A T < - 0 0 12 -3,-1.6 47,-3.0 46,-0.1 2,-0.4 -0.427 24.9-160.4 -61.6 124.1 17.5 -7.5 -2.4 46 46 A N + 0 0 101 45,-0.2 45,-0.2 -2,-0.2 -1,-0.0 -0.896 64.7 7.7-109.9 132.6 15.7 -8.4 0.8 47 47 A G S S+ 0 0 26 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.856 81.3 166.1 70.1 35.8 12.2 -9.7 0.8 48 48 A G E - G 0 90B 1 42,-2.5 42,-2.4 -3,-0.3 2,-0.3 -0.513 13.9-167.6 -78.0 153.0 11.7 -10.1 -2.9 49 49 A K E -FG 18 89B 38 -31,-2.5 -31,-2.2 40,-0.2 2,-0.4 -0.998 13.3-165.6-141.7 145.7 8.8 -12.1 -4.3 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.6 -2,-0.3 2,-0.3 -0.981 22.8 158.7-123.9 139.0 7.8 -13.5 -7.7 51 51 A W E -F 16 0B 1 -35,-1.9 -35,-2.2 -2,-0.4 2,-0.3 -0.960 35.4-111.8-150.9 166.2 4.3 -14.7 -8.5 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.819 21.3-156.3 -98.6 149.3 1.9 -15.3 -11.3 53 53 A R E -F 14 0B 0 -39,-1.1 -39,-2.4 -2,-0.3 2,-0.3 -0.951 12.4-154.9-120.6 143.0 -1.3 -13.4 -12.0 54 54 A T B +K 68 0C 17 14,-0.8 13,-1.9 -2,-0.4 14,-1.1 -0.851 61.1 14.5-120.8 154.6 -4.2 -14.8 -13.9 55 55 A D S S+ 0 0 88 -43,-0.4 12,-0.4 -2,-0.3 2,-0.3 0.919 80.8 170.2 55.4 55.0 -7.0 -13.5 -16.0 56 56 A b - 0 0 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.679 25.9-168.0 -99.3 151.4 -5.6 -10.0 -16.5 57 57 A Y E +L 65 0D 177 8,-2.6 8,-2.1 -2,-0.3 2,-0.4 -0.987 11.7 178.5-133.1 126.8 -6.7 -7.1 -18.7 58 58 A F E -L 64 0D 45 -2,-0.4 6,-0.2 6,-0.2 16,-0.1 -0.976 19.9-136.5-128.6 140.8 -4.4 -4.1 -19.2 59 59 A D > - 0 0 89 4,-2.8 3,-1.9 -2,-0.4 5,-0.0 -0.180 45.8 -84.0 -78.8-177.4 -4.9 -1.0 -21.3 60 60 A D T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.736 130.7 54.7 -65.6 -21.4 -2.2 0.5 -23.5 61 61 A S T 3 S- 0 0 72 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.433 121.2-106.1 -88.9 -2.8 -0.8 2.4 -20.5 62 62 A G S < S+ 0 0 3 -3,-1.9 13,-2.6 1,-0.3 2,-0.4 0.734 77.9 128.3 84.5 25.5 -0.5 -0.8 -18.4 63 63 A S B +M 74 0E 50 11,-0.2 -4,-2.8 12,-0.1 -1,-0.3 -0.907 28.5 87.0-114.4 141.0 -3.4 -0.3 -16.1 64 64 A G E -L 58 0D 36 9,-2.9 2,-0.3 -2,-0.4 -6,-0.2 -0.823 63.2 -69.4 176.0-132.9 -6.1 -2.8 -15.5 65 65 A I E -L 57 0D 99 -8,-2.1 -8,-2.6 -2,-0.3 2,-0.3 -0.986 20.6-162.3-156.0 150.2 -7.0 -5.8 -13.4 66 66 A b - 0 0 8 -2,-0.3 4,-0.3 -10,-0.3 -10,-0.2 -0.976 22.8-136.0-130.8 154.5 -6.2 -9.4 -12.7 67 67 A K S S+ 0 0 120 -13,-1.9 2,-0.4 -12,-0.4 -12,-0.2 0.762 93.2 28.4 -80.6 -27.4 -8.3 -11.9 -10.9 68 68 A T B S+K 54 0C 2 -14,-1.1 -14,-0.8 1,-0.0 -1,-0.2 -0.996 128.3 6.7-128.4 142.8 -5.4 -13.3 -8.8 69 69 A G S S+ 0 0 0 13,-2.4 -2,-0.1 -2,-0.4 16,-0.1 0.533 74.1 173.1 71.6 14.8 -2.3 -11.4 -7.7 70 70 A D - 0 0 27 -4,-0.3 12,-2.2 11,-0.2 2,-0.7 -0.265 20.5-154.8 -55.8 133.6 -3.4 -8.0 -8.9 71 71 A c > - 0 0 3 3,-0.5 3,-1.6 10,-0.2 7,-0.3 -0.760 69.0 -52.4-113.8 80.3 -0.9 -5.4 -7.8 72 72 A G T 3 S- 0 0 73 -2,-0.7 -8,-0.1 1,-0.3 -1,-0.1 0.790 101.0 -65.5 60.1 27.9 -2.8 -2.1 -7.6 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-2.9 -10,-0.1 2,-0.4 0.624 100.5 133.3 74.3 15.7 -4.0 -2.6 -11.2 74 74 A L B < -M 63 0E 50 -3,-1.6 -3,-0.5 -11,-0.2 -1,-0.2 -0.782 53.4-152.8-104.1 141.4 -0.6 -2.3 -12.8 75 75 A L S S+ 0 0 39 -13,-2.6 2,-1.1 -2,-0.4 -1,-0.2 0.931 99.2 53.9 -63.2 -47.0 1.0 -4.5 -15.4 76 76 A R S S- 0 0 124 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.753 95.6-142.0 -94.9 92.7 4.4 -3.5 -14.0 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.6 -60,-0.2 -0.347 34.1 167.3 -64.4 134.9 4.1 -4.3 -10.3 78 78 A K S S+ 0 0 124 -7,-0.3 -56,-0.3 -55,-0.1 2,-0.3 0.460 71.8 39.3-108.8 -18.8 5.6 -2.0 -7.7 79 79 A R S S- 0 0 157 -8,-0.2 -58,-0.1 -58,-0.2 -62,-0.1 -0.793 97.3 -79.1-125.7 169.4 3.8 -3.6 -4.7 80 80 A F - 0 0 81 -60,-0.3 2,-0.2 -2,-0.3 -8,-0.2 -0.234 54.1-102.8 -68.6 161.0 2.8 -7.1 -3.7 81 81 A G - 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