==== 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 2VI4 . 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) . 9601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 58.3 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 . 15 7.3 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 27 0, 0.0 40,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.3 7.5 -17.1 -10.0 2 2 A T E -A 40 0A 48 38,-0.2 197,-2.7 195,-0.0 2,-0.4 -0.818 360.0-171.4 -99.6 143.0 9.5 -15.6 -12.9 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-2.7 -2,-0.4 2,-0.6 -0.977 9.7-156.6-127.8 112.1 12.9 -14.0 -12.5 4 4 A E E -Ab 38 200A 52 195,-2.4 197,-2.5 -2,-0.4 2,-0.6 -0.831 10.8-157.7 -86.3 126.9 14.3 -12.3 -15.6 5 5 A I E -Ab 37 201A 0 32,-3.0 32,-2.7 -2,-0.6 2,-0.5 -0.946 12.1-171.7-109.5 118.4 18.1 -12.2 -15.2 6 6 A V E -Ab 36 202A 13 195,-3.0 197,-2.9 -2,-0.6 2,-0.9 -0.956 17.1-151.1-120.7 127.3 19.6 -9.4 -17.3 7 7 A N E + b 0 203A 0 28,-2.8 27,-3.3 -2,-0.5 28,-0.2 -0.845 24.1 163.7 -99.2 102.2 23.3 -8.8 -17.8 8 8 A R + 0 0 137 195,-2.3 196,-0.2 -2,-0.9 -1,-0.1 0.405 43.5 113.7 -92.0 0.3 23.9 -5.1 -18.4 9 9 A a S S- 0 0 2 194,-0.2 25,-0.2 2,-0.2 4,-0.1 -0.329 76.0-126.4 -66.8 156.5 27.7 -5.5 -17.8 10 10 A S S S+ 0 0 110 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.557 93.6 62.0 -77.8 -8.2 30.1 -5.0 -20.6 11 11 A Y S S- 0 0 91 21,-0.1 -2,-0.2 1,-0.0 2,-0.1 -0.822 95.2 -96.8-115.3 154.8 31.5 -8.5 -19.9 12 12 A T - 0 0 44 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.390 39.3-171.4 -63.0 141.9 30.0 -11.9 -20.0 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.3 41,-0.1 2,-0.6 -0.929 22.1-134.8-128.2 161.3 28.6 -13.4 -16.8 14 14 A W E -EF 30 53B 31 39,-2.4 39,-1.1 -2,-0.3 16,-0.3 -0.942 27.4-143.7-113.9 103.6 27.4 -16.8 -16.0 15 15 A A E -EF 29 52B 0 14,-1.9 14,-1.7 -2,-0.6 2,-0.3 -0.382 16.6-164.5 -64.5 152.0 24.2 -16.4 -14.0 16 16 A A E -EF 28 51B 0 35,-2.3 35,-1.9 12,-0.2 2,-0.3 -0.983 11.2-175.4-139.6 147.0 23.5 -19.0 -11.2 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.3 -2,-0.3 2,-0.3 -0.951 20.6 142.1-148.6 121.6 20.4 -19.8 -9.3 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.6 -2,-0.3 5,-0.2 -0.984 46.7-144.5-153.1 158.7 20.2 -22.3 -6.4 19 19 A K - 0 0 77 3,-2.5 4,-0.1 -2,-0.3 2,-0.1 0.146 63.4-101.3-111.8 17.5 18.6 -22.9 -3.0 20 20 A G S S+ 0 0 13 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.133 117.1 45.1 100.9 -38.8 21.7 -24.5 -1.7 21 21 A D S S+ 0 0 97 1,-0.2 2,-0.3 58,-0.1 58,-0.2 0.238 122.0 21.2-116.3 7.7 20.7 -28.2 -2.0 22 22 A A S S- 0 0 33 56,-0.2 -3,-2.5 5,-0.0 -2,-0.5 -0.966 80.8 -99.0-167.8 153.7 19.2 -27.9 -5.5 23 23 A A E -E 18 0B 34 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.414 28.3-133.0 -67.7 152.4 19.3 -25.9 -8.7 24 24 A L E > S- 0 0 9 -7,-2.3 3,-2.0 53,-0.3 -7,-0.1 -0.971 77.3 -33.3-101.8 127.7 16.5 -23.4 -9.3 25 25 A D E 3 S- 0 0 74 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.345 135.1 -18.6 56.5-138.8 15.4 -23.9 -12.9 26 26 A A E 3 S- 0 0 46 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.653 89.1-129.4 -73.6 -12.8 18.4 -25.0 -14.9 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.2 49,-0.2 50,-0.6 0.076 72.8 10.9 90.4 -27.3 20.7 -23.6 -12.2 28 28 A G E +E 16 0B 4 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.943 54.8 176.1-174.5 161.0 22.9 -21.5 -14.5 29 29 A R E -E 15 0B 83 -14,-1.7 -14,-1.9 -2,-0.3 2,-0.2 -0.949 37.2 -98.1-167.0 150.0 23.5 -20.1 -18.0 30 30 A Q E -E 14 0B 81 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.556 31.9-167.3 -71.8 136.9 25.9 -17.9 -19.9 31 31 A L E -E 13 0B 0 -18,-3.3 -18,-2.3 -2,-0.2 3,-0.1 -0.928 6.0-157.8-124.8 101.5 24.7 -14.3 -20.3 32 32 A N > - 0 0 65 -2,-0.4 3,-2.6 -20,-0.2 -25,-0.3 -0.289 51.0 -62.5 -66.0 166.3 26.7 -12.3 -22.8 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.320 128.2 11.9 -54.2 121.4 26.6 -8.5 -22.4 34 34 A G T 3 S+ 0 0 52 -27,-3.3 -1,-0.3 1,-0.3 -26,-0.1 0.191 95.7 133.1 96.7 -14.9 23.0 -7.4 -22.9 35 35 A E < - 0 0 73 -3,-2.6 -28,-2.8 -28,-0.2 2,-0.4 -0.370 40.1-154.3 -74.0 152.1 21.4 -10.9 -22.7 36 36 A S E -A 6 0A 54 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.979 8.0-172.6-125.2 136.5 18.3 -11.7 -20.7 37 37 A W E -A 5 0A 25 -32,-2.7 -32,-3.0 -2,-0.4 2,-0.6 -0.998 10.9-153.1-131.0 121.5 17.5 -15.2 -19.3 38 38 A T E -A 4 0A 66 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.876 14.8-173.5-102.7 125.0 14.1 -15.8 -17.6 39 39 A I E -A 3 0A 0 -36,-2.7 -36,-2.4 -2,-0.6 2,-0.5 -0.760 19.3-132.5-109.6 160.3 13.9 -18.6 -15.1 40 40 A N E -A 2 0A 95 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.2 -0.964 17.8-166.1-112.8 126.9 11.0 -20.1 -13.2 41 41 A V - 0 0 4 -40,-3.0 3,-0.1 -2,-0.5 -17,-0.1 -0.954 27.2-112.8-114.2 130.2 11.3 -20.6 -9.4 42 42 A E > - 0 0 152 -2,-0.4 3,-1.6 1,-0.1 50,-0.2 -0.306 36.4-102.6 -63.0 139.4 8.7 -22.8 -7.6 43 43 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.260 107.8 33.9 -53.8 147.6 6.4 -21.0 -5.2 44 44 A G T 3 S+ 0 0 36 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.428 77.4 157.8 84.7 -1.5 7.4 -21.6 -1.6 45 45 A T < - 0 0 12 -3,-1.6 47,-3.1 46,-0.1 2,-0.4 -0.434 24.4-160.8 -61.4 124.4 11.1 -21.6 -2.4 46 46 A N + 0 0 98 45,-0.3 45,-0.2 -2,-0.2 -1,-0.0 -0.897 64.9 7.5-110.6 132.3 12.9 -20.7 0.8 47 47 A G S S+ 0 0 28 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.859 81.7 165.9 71.3 35.9 16.5 -19.4 0.9 48 48 A G E - G 0 90B 1 42,-2.5 42,-2.4 -3,-0.3 2,-0.3 -0.515 13.9-168.0 -78.5 153.9 17.0 -19.0 -2.9 49 49 A K E -FG 18 89B 39 -31,-2.6 -31,-2.3 40,-0.2 2,-0.4 -0.999 13.5-165.4-142.6 146.2 19.9 -17.1 -4.3 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.7 -2,-0.3 2,-0.3 -0.981 22.4 159.2-123.5 139.1 20.9 -15.7 -7.7 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.3 -0.960 35.3-112.2-150.3 166.9 24.4 -14.5 -8.4 52 52 A A E -F 15 0B 0 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.805 21.6-155.5 -98.7 149.4 26.8 -13.8 -11.3 53 53 A R E -F 14 0B 0 -39,-1.1 -39,-2.4 -2,-0.3 2,-0.3 -0.954 12.1-155.7-119.7 143.2 29.9 -15.8 -12.0 54 54 A T B +K 68 0C 18 14,-0.9 13,-1.8 -2,-0.4 14,-1.2 -0.849 61.0 15.8-120.6 154.0 32.9 -14.3 -13.8 55 55 A D S S+ 0 0 86 -43,-0.4 12,-0.5 -2,-0.3 2,-0.3 0.919 80.2 169.9 57.9 54.8 35.7 -15.7 -15.9 56 56 A b - 0 0 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.696 25.7-168.0-100.7 153.4 34.3 -19.1 -16.5 57 57 A Y E +L 65 0D 175 8,-2.6 8,-2.1 -2,-0.3 2,-0.4 -0.990 12.1 179.5-135.2 124.5 35.3 -22.0 -18.7 58 58 A F E -L 64 0D 47 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.969 18.8-138.0-126.7 143.1 33.1 -24.9 -19.3 59 59 A D > - 0 0 86 4,-2.6 3,-1.9 -2,-0.4 5,-0.0 -0.206 45.6 -84.3 -82.9-179.2 33.6 -28.0 -21.4 60 60 A D T 3 S+ 0 0 182 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.695 129.5 55.5 -64.3 -19.1 30.8 -29.5 -23.6 61 61 A S T 3 S- 0 0 72 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.451 119.8-107.0 -90.1 -3.2 29.4 -31.4 -20.6 62 62 A G S < S+ 0 0 4 -3,-1.9 13,-2.8 1,-0.3 2,-0.4 0.707 78.6 127.5 84.6 23.4 29.0 -28.3 -18.5 63 63 A S B +M 74 0E 53 11,-0.2 -4,-2.6 12,-0.1 -1,-0.3 -0.897 30.0 89.7-113.5 141.1 31.9 -28.9 -16.2 64 64 A G E -L 58 0D 34 9,-3.1 2,-0.3 -2,-0.4 -6,-0.2 -0.821 61.8 -70.6 177.5-136.9 34.6 -26.4 -15.6 65 65 A I E -L 57 0D 97 -8,-2.1 -8,-2.6 -2,-0.3 2,-0.3 -0.983 20.6-164.4-153.5 151.3 35.7 -23.4 -13.4 66 66 A b - 0 0 8 -2,-0.3 4,-0.3 -10,-0.3 -10,-0.2 -0.979 23.6-135.5-130.6 153.9 34.9 -19.8 -12.7 67 67 A K S S+ 0 0 119 -13,-1.8 2,-0.4 -12,-0.5 -12,-0.2 0.780 93.8 28.0 -78.5 -28.9 37.0 -17.2 -10.9 68 68 A T B S+K 54 0C 2 -14,-1.2 -14,-0.9 1,-0.1 -1,-0.2 -0.996 128.3 6.5-127.6 143.7 34.1 -15.9 -8.8 69 69 A G S S+ 0 0 0 13,-2.4 -2,-0.1 -2,-0.4 16,-0.1 0.534 74.0 172.1 72.7 12.6 31.0 -17.7 -7.8 70 70 A D - 0 0 27 -4,-0.3 12,-2.2 12,-0.2 2,-0.7 -0.270 21.5-153.9 -57.4 134.8 32.0 -21.2 -9.0 71 71 A c > - 0 0 3 3,-0.5 3,-1.6 10,-0.2 7,-0.3 -0.755 68.4 -52.5-113.0 79.7 29.5 -23.8 -7.8 72 72 A G T 3 S- 0 0 78 -2,-0.7 -8,-0.1 1,-0.3 -1,-0.1 0.799 101.0 -65.5 60.2 28.1 31.5 -27.1 -7.7 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-3.1 -10,-0.1 2,-0.4 0.648 100.6 134.1 74.8 14.5 32.6 -26.5 -11.3 74 74 A L B < -M 63 0E 64 -3,-1.6 -3,-0.5 -11,-0.2 -1,-0.2 -0.804 52.4-153.6-101.5 139.7 29.1 -26.9 -12.8 75 75 A L S S+ 0 0 36 -13,-2.8 2,-1.1 -2,-0.4 -1,-0.2 0.930 99.4 53.9 -62.5 -46.9 27.6 -24.6 -15.5 76 76 A R S S- 0 0 122 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.745 95.9-142.1 -94.5 93.5 24.3 -25.6 -14.0 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.6 -60,-0.2 -0.328 34.1 167.2 -64.6 134.3 24.6 -24.9 -10.3 78 78 A K S S+ 0 0 133 -7,-0.3 2,-0.3 -55,-0.1 -59,-0.2 0.398 71.7 38.5-110.6 -14.2 23.0 -27.1 -7.8 79 79 A R S S- 0 0 153 -58,-0.2 -58,-0.1 -8,-0.1 -62,-0.1 -0.843 97.2 -78.0-130.3 170.0 24.9 -25.5 -4.8 80 80 A F - 0 0 81 -60,-0.4 2,-0.2 -2,-0.3 -8,-0.2 -0.232 54.1-104.7 -68.5 160.1 25.9 -22.0 -3.7 81 81 A G - 0 0 14 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.2 -0.465 28.2 -97.1 -95.0 160.3 28.9 -20.4 -5.2 82 82 A R - 0 0 168 -12,-2.2 -13,-2.4 -2,-0.2 -12,-0.2 -0.529 63.1 -75.7 -74.0 127.5 32.4 -19.7 -4.0 83 83 A P S S+ 0 0 27 0, 0.0 24,-0.1 0, 0.0 -13,-0.1 -0.220 102.0 67.8 -58.1 155.9 32.9 -16.2 -2.6 84 84 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.335 72.1 141.7 -83.6 137.1 33.2 -13.4 -3.5 85 85 A T - 0 0 2 21,-2.2 21,-0.4 60,-0.1 2,-0.3 -0.924 47.4-139.4-143.1 117.7 29.6 -13.3 -4.7 86 86 A T - 0 0 0 -2,-0.3 2,-0.5 -34,-0.1 -34,-0.4 -0.572 37.5-144.2 -67.2 133.1 27.1 -10.4 -4.6 87 87 A L E - H 0 103B 10 16,-2.4 16,-2.3 -2,-0.3 2,-0.6 -0.915 24.3-160.8-118.0 127.5 23.9 -12.2 -3.6 88 88 A A E -GH 50 102B 0 -38,-2.7 -38,-2.3 -2,-0.5 2,-0.4 -0.910 30.7-168.9 -91.2 118.9 20.3 -11.6 -4.6 89 89 A E E +GH 49 101B 31 12,-2.9 12,-2.1 -2,-0.6 2,-0.3 -0.911 11.9 165.8-121.4 140.2 18.4 -13.5 -1.9 90 90 A F E -GH 48 100B 4 -42,-2.4 -42,-2.5 -2,-0.4 2,-0.4 -0.999 25.8-165.6-155.1 147.7 14.8 -14.5 -1.7 91 91 A S E - 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