==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 24-AUG-11 3VHF . COMPND 2 MOLECULE: THAUMATIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR T.MASUDA,B.MIKAMI,N.KITABATAKE,F.TANI . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 58.9 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 . 56 27.1 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 . 0 0.0 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 . 18 8.7 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 3 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 19 0, 0.0 40,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 143.9 10.5 9.9 -7.7 2 2 A T E -A 40 0A 62 38,-0.2 197,-2.6 194,-0.1 2,-0.4 -0.829 360.0-174.8 -93.3 133.8 11.0 6.3 -8.5 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-3.1 -2,-0.5 2,-0.5 -0.994 8.9-159.9-125.0 123.9 8.9 4.6 -11.2 4 4 A E E -Ab 38 200A 48 195,-2.3 197,-2.9 -2,-0.4 2,-0.5 -0.902 6.6-161.8 -98.1 129.9 9.2 0.9 -11.8 5 5 A I E -Ab 37 201A 0 32,-2.9 32,-2.1 -2,-0.5 2,-0.5 -0.973 11.5-172.4-116.3 117.3 8.0 -0.2 -15.2 6 6 A V E -Ab 36 202A 2 195,-2.8 197,-2.9 -2,-0.5 2,-0.8 -0.954 17.0-153.2-121.4 125.3 7.2 -3.9 -15.4 7 7 A N E + b 0 203A 0 28,-2.9 27,-2.5 -2,-0.5 28,-0.2 -0.872 24.3 162.2 -98.4 103.0 6.3 -6.0 -18.5 8 8 A R + 0 0 124 195,-2.5 196,-0.2 -2,-0.8 -1,-0.1 0.386 41.8 114.5 -96.0 6.2 4.3 -9.0 -17.5 9 9 A a S S- 0 0 1 194,-0.2 25,-0.3 2,-0.1 4,-0.1 -0.250 75.1-125.7 -72.1 159.1 2.9 -9.5 -21.0 10 10 A S S S+ 0 0 116 23,-0.1 23,-0.3 2,-0.1 2,-0.2 0.767 94.4 65.3 -72.2 -24.5 3.9 -12.6 -23.0 11 11 A Y S S- 0 0 95 21,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.632 95.5 -99.7 -96.9 154.6 5.1 -10.3 -25.9 12 12 A T - 0 0 40 -2,-0.2 43,-0.5 21,-0.1 2,-0.4 -0.447 37.6-165.4 -65.0 140.6 8.0 -7.9 -25.8 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.2 41,-0.1 2,-0.8 -0.990 18.5-140.3-123.7 154.5 7.2 -4.3 -25.2 14 14 A W E -EF 30 53B 28 39,-2.5 39,-0.9 -2,-0.4 16,-0.3 -0.896 28.8-146.6-109.7 99.6 9.3 -1.3 -25.8 15 15 A A E -EF 29 52B 0 14,-2.2 14,-1.7 -2,-0.8 2,-0.3 -0.346 14.1-163.0 -64.9 153.0 8.5 1.0 -22.8 16 16 A A E -EF 28 51B 0 35,-2.1 35,-2.0 12,-0.2 2,-0.3 -0.988 12.3-175.1-140.9 149.8 8.5 4.7 -23.2 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.4 -2,-0.3 2,-0.3 -0.946 21.4 145.2-148.1 122.2 8.7 7.7 -20.8 18 18 A S E -EF 23 49B 0 31,-2.4 31,-2.5 -2,-0.3 5,-0.2 -0.987 45.8-146.5-154.1 155.5 8.4 11.3 -21.9 19 19 A K - 0 0 83 3,-2.7 2,-0.2 59,-0.4 4,-0.1 0.151 64.4 -99.4-113.6 24.9 7.1 14.7 -20.8 20 20 A G S S+ 0 0 20 2,-0.5 60,-0.4 58,-0.3 3,-0.1 -0.111 117.8 44.3 97.5 -38.6 6.3 15.7 -24.4 21 21 A D S S+ 0 0 86 1,-0.2 2,-0.3 -2,-0.2 58,-0.2 0.219 122.7 17.6-114.2 3.7 9.4 17.8 -25.1 22 22 A A S S- 0 0 31 56,-0.6 -3,-2.7 5,-0.0 -2,-0.5 -0.954 80.9 -94.9-167.0 154.3 12.0 15.5 -23.6 23 23 A A E -E 18 0B 40 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.365 29.3-130.9 -64.2 153.9 12.6 12.0 -22.4 24 24 A L E > S- 0 0 9 -7,-2.4 3,-2.4 53,-0.3 -7,-0.1 -0.943 78.4 -35.3-100.1 127.9 12.2 11.0 -18.8 25 25 A D E 3 S- 0 0 84 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.301 135.9 -14.4 55.1-136.7 15.4 9.1 -17.8 26 26 A A E 3 S- 0 0 41 1,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.553 87.4-133.3 -80.1 1.7 16.5 7.2 -20.9 27 27 A G E < S+ 0 0 0 -3,-2.4 -10,-2.2 49,-0.2 50,-0.6 -0.010 72.6 15.6 84.0 -36.0 13.2 7.7 -22.6 28 28 A G E -E 16 0B 0 -2,-0.6 2,-0.3 -12,-0.2 -12,-0.2 -0.979 55.2-180.0-164.8 162.3 12.7 4.1 -23.8 29 29 A R E -E 15 0B 73 -14,-1.7 -14,-2.2 -2,-0.3 2,-0.4 -0.941 33.4-111.5-164.9 139.1 13.9 0.5 -23.2 30 30 A Q E -E 14 0B 87 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.3 -0.655 31.8-168.2 -69.0 128.5 13.1 -3.0 -24.6 31 31 A L E -E 13 0B 0 -18,-3.2 -18,-2.3 -2,-0.4 3,-0.1 -0.925 4.9-157.5-123.4 104.8 11.4 -5.1 -22.0 32 32 A N > - 0 0 62 -2,-0.5 3,-2.7 -20,-0.2 -25,-0.2 -0.291 52.2 -56.6 -66.1 167.6 11.2 -8.7 -22.9 33 33 A S T 3 S+ 0 0 67 -23,-0.3 -25,-0.2 1,-0.3 -1,-0.2 -0.230 129.0 10.5 -49.7 127.3 8.5 -10.7 -21.1 34 34 A G T 3 S+ 0 0 48 -27,-2.5 -1,-0.3 -25,-0.3 2,-0.2 0.286 97.5 130.3 86.9 -10.0 9.0 -10.5 -17.3 35 35 A E < - 0 0 70 -3,-2.7 -28,-2.9 -28,-0.2 -1,-0.3 -0.454 39.4-156.3 -84.6 151.4 11.5 -7.7 -17.4 36 36 A S E -A 6 0A 44 -30,-0.2 2,-0.3 -2,-0.2 -30,-0.2 -0.782 8.0-161.3-115.7 167.0 11.5 -4.5 -15.5 37 37 A W E -A 5 0A 21 -32,-2.1 -32,-2.9 -2,-0.3 2,-0.5 -0.934 8.1-158.1-148.6 121.1 13.0 -1.0 -15.8 38 38 A T E -A 4 0A 85 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.2 -0.905 17.6-179.4-105.6 127.9 13.3 1.4 -12.9 39 39 A I E -A 3 0A 4 -36,-3.1 -36,-2.4 -2,-0.5 2,-0.5 -0.842 26.6-128.7-121.4 162.1 13.6 5.1 -13.8 40 40 A N E -A 2 0A 85 -2,-0.3 2,-0.5 -38,-0.2 -38,-0.2 -0.923 20.0-165.3-106.3 129.2 14.0 8.3 -11.9 41 41 A V - 0 0 1 -40,-2.8 3,-0.1 -2,-0.5 4,-0.1 -0.963 27.9-115.7-111.9 127.8 11.6 11.0 -12.8 42 42 A E > - 0 0 141 -2,-0.5 3,-1.5 1,-0.1 50,-0.2 -0.258 33.2-100.3 -67.8 143.5 12.6 14.4 -11.5 43 43 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.296 108.3 32.5 -58.4 144.5 10.4 16.1 -9.0 44 44 A G T 3 S+ 0 0 38 1,-0.3 2,-0.4 -3,-0.1 49,-0.1 0.478 76.7 156.1 86.7 1.6 8.1 18.7 -10.4 45 45 A T < - 0 0 13 -3,-1.5 47,-3.0 -4,-0.1 2,-0.4 -0.478 24.2-165.0 -64.5 124.0 7.7 16.8 -13.7 46 46 A N + 0 0 97 -2,-0.4 45,-0.2 45,-0.2 47,-0.0 -0.892 63.8 12.3-112.4 138.4 4.4 18.1 -15.1 47 47 A G S S+ 0 0 28 -2,-0.4 -1,-0.2 1,-0.2 44,-0.2 0.863 82.4 165.1 68.9 35.6 2.5 16.3 -18.0 48 48 A G E - G 0 90B 0 42,-2.6 42,-2.4 -3,-0.3 2,-0.3 -0.545 14.0-170.0 -81.4 150.6 4.7 13.1 -17.9 49 49 A K E -FG 18 89B 39 -31,-2.5 -31,-2.4 40,-0.2 2,-0.4 -0.999 12.9-166.4-142.1 145.8 3.5 9.9 -19.7 50 50 A I E +FG 17 88B 0 38,-2.4 38,-2.7 -2,-0.3 2,-0.3 -0.976 21.8 157.3-127.2 138.9 4.5 6.3 -19.8 51 51 A W E -F 16 0B 1 -35,-2.0 -35,-2.1 -2,-0.4 2,-0.3 -0.980 35.9-112.0-152.1 167.0 3.3 3.8 -22.4 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.782 20.3-154.1 -99.5 149.5 4.1 0.5 -24.1 53 53 A R E -F 14 0B 0 -39,-0.9 -39,-2.5 -2,-0.3 2,-0.3 -0.983 14.1-152.8-120.1 139.4 5.0 0.2 -27.8 54 54 A T + 0 0 16 14,-0.5 13,-1.5 -2,-0.4 14,-1.3 -0.793 62.3 11.7-112.4 153.3 4.4 -3.1 -29.6 55 55 A D S S+ 0 0 101 -43,-0.5 12,-1.0 -2,-0.3 2,-0.3 0.937 82.9 158.4 52.7 62.9 6.0 -4.8 -32.6 56 56 A b E -K 66 0C 13 10,-0.2 2,-0.3 -3,-0.2 10,-0.3 -0.711 25.8-171.0-108.1 162.3 9.1 -2.6 -32.9 57 57 A Y E -K 65 0C 156 8,-1.8 8,-2.1 -2,-0.3 2,-0.3 -0.971 7.5-176.9-148.2 149.4 12.4 -3.0 -34.5 58 58 A F E -K 64 0C 44 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.966 19.1-128.6-140.3 152.7 15.5 -0.7 -34.3 59 59 A D > - 0 0 87 4,-2.0 3,-2.2 -2,-0.3 5,-0.0 -0.295 47.2 -85.1 -87.7-180.0 19.0 -0.6 -35.7 60 60 A D T 3 S+ 0 0 181 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.761 128.2 57.5 -61.7 -21.3 22.2 -0.1 -33.8 61 61 A S T 3 S- 0 0 100 2,-0.1 -1,-0.3 14,-0.0 3,-0.1 0.451 119.8-106.6 -86.6 -2.7 21.7 3.6 -33.8 62 62 A G S < S+ 0 0 16 -3,-2.2 13,-2.5 1,-0.3 2,-0.4 0.693 77.7 132.7 84.4 17.6 18.3 3.4 -32.0 63 63 A S B +L 74 0D 62 11,-0.2 -4,-2.0 12,-0.1 -1,-0.3 -0.890 28.0 99.2-103.6 131.2 16.3 4.3 -35.2 64 64 A G E -K 58 0C 14 9,-3.1 2,-0.4 -2,-0.4 -6,-0.2 -0.841 58.5 -77.0-178.4-152.5 13.3 2.2 -36.2 65 65 A I E -K 57 0C 90 -8,-2.1 -8,-1.8 -2,-0.3 2,-0.4 -0.999 22.1-164.0-145.9 129.4 9.5 1.6 -36.4 66 66 A b E -K 56 0C 1 -2,-0.4 4,-0.4 -10,-0.3 -10,-0.2 -0.957 19.6-142.5-112.2 146.0 6.9 0.5 -33.9 67 67 A K S S+ 0 0 121 -13,-1.5 2,-0.4 -12,-1.0 75,-0.2 0.778 91.2 24.7 -77.9 -28.3 3.4 -0.7 -34.8 68 68 A T S S+ 0 0 2 -14,-1.3 -14,-0.5 1,-0.1 -1,-0.2 -0.992 128.5 9.0-128.9 146.1 1.8 1.0 -31.8 69 69 A G S S+ 0 0 0 13,-1.9 -2,-0.1 -2,-0.4 -1,-0.1 0.625 74.0 175.8 74.5 14.0 3.1 4.0 -29.9 70 70 A D - 0 0 14 -4,-0.4 12,-2.3 11,-0.2 2,-0.6 -0.323 17.9-155.7 -56.9 138.2 6.0 5.0 -32.2 71 71 A c > - 0 0 3 3,-0.5 3,-1.7 10,-0.2 7,-0.3 -0.769 68.1 -51.4-118.0 84.6 7.7 8.2 -31.0 72 72 A G T 3 S- 0 0 71 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.821 99.8 -66.5 62.8 25.4 9.4 9.7 -34.1 73 73 A G T 3 S+ 0 0 13 1,-0.2 -9,-3.1 -10,-0.1 2,-0.4 0.609 101.4 133.6 74.0 13.2 11.1 6.4 -35.0 74 74 A L B < -L 63 0D 74 -3,-1.7 -3,-0.5 -11,-0.2 -1,-0.2 -0.767 54.7-152.6-103.4 144.1 13.3 6.5 -31.8 75 75 A L S S+ 0 0 29 -13,-2.5 2,-1.1 -2,-0.4 -1,-0.2 0.930 98.6 53.2 -65.3 -43.7 14.1 3.8 -29.3 76 76 A R S S- 0 0 131 -14,-0.3 -1,-0.2 -48,-0.1 -48,-0.2 -0.764 96.2-137.8 -98.5 96.9 14.7 6.5 -26.7 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.6 -60,-0.2 -0.314 33.5 168.8 -65.1 130.0 11.5 8.5 -26.8 78 78 A K S S+ 0 0 101 -7,-0.3 -56,-0.6 -55,-0.1 -59,-0.4 0.704 72.2 28.3 -96.4 -38.4 11.8 12.3 -26.6 79 79 A R S S- 0 0 133 -58,-0.2 -58,-0.1 -8,-0.2 -62,-0.1 -0.616 98.7 -71.8-124.6 174.0 8.2 13.0 -27.5 80 80 A F - 0 0 83 -60,-0.4 -8,-0.2 -2,-0.2 -1,-0.2 -0.210 52.5-110.9 -70.3 163.1 4.8 11.3 -27.2 81 81 A G - 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