==== 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 3VCJ . 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) . 9914.0 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 29 0, 0.0 40,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.9 -12.0 21.6 10.1 2 2 A T E -A 40 0A 49 38,-0.2 197,-2.5 195,-0.1 2,-0.4 -0.827 360.0-168.8-101.3 139.0 -13.4 19.5 13.0 3 3 A F E -Ab 39 199A 0 36,-2.1 36,-2.5 -2,-0.4 2,-0.7 -0.984 10.4-153.6-123.7 113.0 -15.1 16.2 12.5 4 4 A E E -Ab 38 200A 59 195,-2.8 197,-2.4 -2,-0.4 2,-0.6 -0.810 10.8-159.2 -85.2 122.4 -16.8 14.8 15.6 5 5 A I E -Ab 37 201A 0 32,-2.8 32,-2.9 -2,-0.7 2,-0.4 -0.916 11.4-172.7-109.1 120.8 -16.9 11.1 15.2 6 6 A V E -Ab 36 202A 17 195,-2.8 197,-2.8 -2,-0.6 2,-0.8 -0.929 17.9-149.0-121.1 129.5 -19.6 9.5 17.4 7 7 A N E + b 0 203A 0 28,-2.9 27,-3.4 -2,-0.4 197,-0.1 -0.842 26.3 161.8 -99.0 99.6 -20.1 5.8 18.0 8 8 A R + 0 0 142 195,-2.3 196,-0.2 -2,-0.8 -1,-0.1 0.452 43.3 112.8 -90.6 -0.9 -23.9 5.1 18.6 9 9 A a S S- 0 0 2 194,-0.3 25,-0.2 1,-0.1 4,-0.1 -0.308 76.5-125.8 -67.2 159.8 -23.4 1.4 17.9 10 10 A S S S+ 0 0 111 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.572 93.1 62.0 -79.8 -10.9 -24.0 -1.1 20.7 11 11 A Y S S- 0 0 93 21,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.804 95.2 -96.8-115.1 158.4 -20.5 -2.5 20.0 12 12 A T - 0 0 44 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.392 40.2-174.0 -67.5 144.0 -17.0 -0.9 20.2 13 13 A V E -E 31 0B 0 18,-1.9 18,-3.2 41,-0.1 2,-0.6 -0.916 23.7-132.9-130.2 165.1 -15.5 0.3 16.9 14 14 A W E -EF 30 53B 30 39,-2.1 39,-1.3 -2,-0.3 16,-0.3 -0.939 26.9-143.2-119.5 104.6 -12.1 1.7 16.1 15 15 A A E -EF 29 52B 0 14,-1.5 14,-1.6 -2,-0.6 2,-0.4 -0.306 17.6-165.9 -61.8 147.9 -12.5 4.9 14.1 16 16 A A E -EF 28 51B 0 35,-2.6 35,-2.0 12,-0.2 2,-0.3 -0.991 10.7-175.4-138.3 145.8 -10.0 5.5 11.3 17 17 A A E + F 0 50B 0 10,-2.4 7,-2.0 -2,-0.4 2,-0.3 -0.969 19.2 141.8-146.8 130.7 -9.2 8.6 9.3 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.7 -2,-0.3 5,-0.2 -0.972 45.8-142.9-159.8 157.1 -6.7 8.9 6.4 19 19 A K - 0 0 76 3,-2.2 4,-0.1 -2,-0.3 60,-0.1 0.114 63.6-100.7-117.3 15.3 -6.1 10.5 3.0 20 20 A G S S+ 0 0 18 2,-0.6 60,-0.4 29,-0.1 3,-0.1 -0.123 116.8 45.6 106.8 -35.8 -4.4 7.4 1.7 21 21 A D S S+ 0 0 101 1,-0.2 2,-0.3 58,-0.1 58,-0.1 0.318 121.6 20.0-118.4 1.2 -0.8 8.4 2.0 22 22 A A S S- 0 0 35 56,-0.0 -3,-2.2 5,-0.0 -2,-0.6 -0.979 80.9 -97.7-163.6 157.0 -1.0 9.9 5.5 23 23 A A E -E 18 0B 37 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.507 28.7-132.6 -71.8 151.5 -3.1 9.9 8.7 24 24 A L E > S- 0 0 8 -7,-2.0 3,-1.9 53,-0.3 -7,-0.2 -0.964 76.7 -33.3-100.1 126.8 -5.6 12.6 9.4 25 25 A D E 3 S- 0 0 75 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.352 134.6 -19.8 58.1-139.9 -5.1 13.8 13.0 26 26 A A E 3 S- 0 0 29 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.689 89.6-134.1 -71.6 -14.3 -4.0 10.7 15.0 27 27 A G E < S+ 0 0 0 -3,-1.9 -10,-2.4 49,-0.1 50,-0.6 0.095 70.7 19.9 88.1 -22.5 -5.4 8.5 12.3 28 28 A G E +E 16 0B 3 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.949 55.1 167.7-174.7 152.8 -7.3 6.1 14.6 29 29 A R E -E 15 0B 87 -14,-1.6 -14,-1.5 -2,-0.3 2,-0.2 -0.896 38.6-100.9-170.2 144.7 -8.8 5.5 18.0 30 30 A Q E -E 14 0B 84 -16,-0.3 2,-0.4 -2,-0.3 -16,-0.2 -0.495 31.4-167.1 -66.6 135.4 -11.1 3.1 19.9 31 31 A L E -E 13 0B 0 -18,-3.2 -18,-1.9 -2,-0.2 3,-0.1 -0.898 6.9-154.8-126.1 104.4 -14.6 4.4 20.4 32 32 A N > - 0 0 62 -2,-0.4 3,-2.5 -20,-0.2 -25,-0.3 -0.229 51.0 -61.2 -66.0 171.0 -16.7 2.4 22.9 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.321 128.6 10.0 -56.9 117.3 -20.5 2.5 22.5 34 34 A G T 3 S+ 0 0 52 -27,-3.4 -1,-0.3 1,-0.3 -26,-0.1 0.178 94.8 132.6 98.0 -19.3 -21.5 6.1 23.0 35 35 A E < - 0 0 74 -3,-2.5 -28,-2.9 -28,-0.1 2,-0.4 -0.399 41.2-151.6 -71.1 154.7 -18.1 7.7 22.9 36 36 A S E -A 6 0A 56 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.956 8.3-170.7-122.9 138.2 -17.2 10.8 20.7 37 37 A W E -A 5 0A 24 -32,-2.9 -32,-2.8 -2,-0.4 2,-0.6 -0.990 10.1-154.8-131.0 118.6 -13.8 11.6 19.3 38 38 A T E -A 4 0A 69 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.850 15.0-173.5-101.0 124.3 -13.2 15.0 17.7 39 39 A I E -A 3 0A 0 -36,-2.5 -36,-2.1 -2,-0.6 2,-0.5 -0.814 19.7-133.4-110.7 158.9 -10.5 15.3 15.1 40 40 A N E -A 2 0A 95 -2,-0.3 2,-0.5 -38,-0.2 -38,-0.2 -0.956 17.9-165.4-112.3 125.7 -9.0 18.2 13.2 41 41 A V - 0 0 4 -40,-3.3 4,-0.1 -2,-0.5 3,-0.1 -0.940 28.1-111.2-111.7 127.4 -8.5 17.8 9.5 42 42 A E > - 0 0 157 -2,-0.5 3,-1.4 1,-0.1 50,-0.2 -0.258 38.0-105.4 -54.4 135.5 -6.2 20.3 7.7 43 43 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.315 107.5 35.4 -57.4 149.5 -8.1 22.7 5.3 44 44 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.459 77.8 158.3 82.7 -0.2 -7.6 21.7 1.6 45 45 A T < - 0 0 10 -3,-1.4 47,-3.0 -4,-0.1 2,-0.5 -0.441 25.1-160.0 -58.0 121.0 -7.5 17.9 2.5 46 46 A N + 0 0 98 -2,-0.3 45,-0.2 45,-0.3 -1,-0.0 -0.898 65.1 6.7-110.3 128.8 -8.3 16.2 -0.8 47 47 A G S S+ 0 0 26 -2,-0.5 44,-0.2 1,-0.2 -1,-0.2 0.894 82.4 169.7 74.6 36.3 -9.6 12.6 -0.9 48 48 A G E - G 0 90B 0 42,-2.8 42,-2.1 -3,-0.3 2,-0.3 -0.489 12.2-166.2 -78.4 150.0 -10.0 12.2 2.9 49 49 A K E -FG 18 89B 37 -31,-2.7 -31,-2.3 40,-0.2 2,-0.4 -0.999 13.2-170.1-139.6 146.1 -11.8 9.2 4.3 50 50 A I E +FG 17 88B 0 38,-2.2 38,-2.7 -2,-0.3 2,-0.3 -0.989 20.6 155.9-131.0 141.5 -13.2 8.1 7.6 51 51 A W E -F 16 0B 0 -35,-2.0 -35,-2.6 -2,-0.4 2,-0.3 -0.941 35.7-110.9-154.5 168.7 -14.5 4.7 8.5 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.846 20.6-155.1-104.2 149.0 -15.1 2.3 11.3 53 53 A R E -F 14 0B 0 -39,-1.3 -39,-2.1 -2,-0.3 2,-0.3 -0.937 12.0-149.9-119.0 146.2 -13.2 -0.9 12.0 54 54 A T E +K 68 0C 14 14,-0.8 13,-1.8 -2,-0.4 14,-0.9 -0.853 62.8 7.4-119.0 154.6 -14.7 -3.9 13.9 55 55 A D E S+ 0 0 91 -43,-0.4 12,-0.6 -2,-0.3 2,-0.3 0.919 80.2 168.5 44.3 63.2 -13.3 -6.7 16.2 56 56 A b E -K 66 0C 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.672 25.3-163.7-101.1 152.9 -9.8 -5.3 16.5 57 57 A Y E +K 65 0C 165 8,-2.1 8,-2.3 -2,-0.3 2,-0.4 -0.978 12.0 178.9-134.0 128.1 -7.0 -6.3 18.9 58 58 A F E -K 64 0C 46 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.967 17.4-140.8-124.3 143.2 -4.0 -4.0 19.4 59 59 A D > - 0 0 91 4,-2.1 3,-1.9 -2,-0.4 4,-0.0 -0.259 46.7 -76.3 -83.8-175.9 -1.0 -4.6 21.6 60 60 A D T 3 S+ 0 0 179 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.684 131.5 49.8 -56.6 -27.7 0.8 -1.8 23.7 61 61 A S T 3 S- 0 0 95 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.387 121.8-104.0 -91.8 -1.7 2.6 -0.3 20.7 62 62 A G S < S+ 0 0 15 -3,-1.9 13,-2.0 1,-0.3 2,-0.4 0.837 77.7 130.4 79.8 34.6 -0.6 -0.1 18.7 63 63 A S B +L 74 0D 54 11,-0.2 -4,-2.1 12,-0.1 -1,-0.3 -0.974 27.1 92.0-115.3 133.8 -0.1 -3.1 16.3 64 64 A G E -K 58 0C 31 9,-3.3 2,-0.3 -2,-0.4 -6,-0.2 -0.780 62.4 -72.4-176.3-135.6 -2.7 -5.7 15.8 65 65 A I E -K 57 0C 104 -8,-2.3 -8,-2.1 -2,-0.2 2,-0.4 -0.995 19.5-155.4-154.9 149.8 -5.5 -6.7 13.5 66 66 A b E -K 56 0C 7 -2,-0.3 4,-0.4 -10,-0.2 -10,-0.2 -0.965 20.0-138.8-127.4 141.0 -9.2 -5.7 12.7 67 67 A K E S+ 0 0 124 -13,-1.8 2,-0.3 -12,-0.6 -12,-0.2 0.715 94.6 21.3 -70.4 -25.2 -11.8 -8.0 11.1 68 68 A T E S+K 54 0C 3 -14,-0.9 -14,-0.8 -3,-0.0 -1,-0.2 -0.987 128.9 13.4-138.3 141.0 -13.0 -5.2 8.8 69 69 A G S S+ 0 0 0 13,-2.6 -2,-0.1 -2,-0.3 16,-0.1 0.519 72.4 172.0 81.3 7.2 -11.2 -2.0 7.8 70 70 A D - 0 0 28 -4,-0.4 12,-2.1 11,-0.3 2,-0.7 -0.227 20.8-157.8 -54.7 130.2 -7.7 -3.0 8.9 71 71 A c S > S- 0 0 4 3,-0.4 3,-1.6 10,-0.2 7,-0.2 -0.800 70.6 -53.5-112.2 83.3 -5.2 -0.5 7.8 72 72 A G T 3 S- 0 0 73 -2,-0.7 -2,-0.1 1,-0.3 9,-0.1 0.768 99.8 -63.8 54.3 34.0 -1.9 -2.5 7.8 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-3.3 -10,-0.1 2,-0.3 0.535 100.5 131.1 72.0 10.1 -2.4 -3.7 11.4 74 74 A L B < -L 63 0D 47 -3,-1.6 -3,-0.4 -11,-0.2 -11,-0.2 -0.729 53.6-152.2 -96.7 144.8 -2.1 -0.2 13.0 75 75 A L S S+ 0 0 49 -13,-2.0 2,-1.2 -2,-0.3 -1,-0.1 0.931 99.2 54.3 -69.3 -46.2 -4.4 1.5 15.6 76 76 A R S S- 0 0 161 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.718 95.1-142.3 -94.8 93.2 -3.3 4.9 14.1 77 77 A c + 0 0 0 -2,-1.2 -53,-0.3 -50,-0.6 -60,-0.2 -0.285 31.6 169.7 -63.2 134.4 -4.1 4.5 10.4 78 78 A K S S+ 0 0 127 -7,-0.2 2,-0.3 -55,-0.1 -59,-0.3 0.434 72.0 32.4-111.4 -17.1 -1.8 6.0 7.8 79 79 A R S S- 0 0 155 -58,-0.1 -58,-0.1 -8,-0.1 -62,-0.1 -0.822 99.5 -71.5-132.3 177.4 -3.5 4.3 4.7 80 80 A F - 0 0 83 -60,-0.4 -8,-0.2 -2,-0.3 2,-0.1 -0.197 54.6-107.1 -72.2 159.6 -6.9 3.2 3.7 81 81 A G - 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