==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 31-JAN-07 2OQN . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR C.U.KIM,Q.HAO,S.M.GRUNER . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 57.5 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 . 14 6.8 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 26 0, 0.0 40,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.8 7.1 -17.4 -10.1 2 2 A T E -A 40 0A 50 38,-0.2 197,-2.4 195,-0.1 2,-0.4 -0.801 360.0-169.2 -97.5 136.9 8.9 -15.9 -13.0 3 3 A F E -Ab 39 199A 0 36,-2.5 36,-2.7 -2,-0.4 2,-0.7 -0.973 8.4-156.6-121.7 112.0 12.4 -14.3 -12.6 4 4 A E E -Ab 38 200A 55 195,-2.7 197,-2.5 -2,-0.4 2,-0.6 -0.817 10.7-160.3 -86.5 121.2 13.8 -12.3 -15.5 5 5 A I E -Ab 37 201A 0 32,-3.1 32,-2.9 -2,-0.7 2,-0.5 -0.919 10.6-170.9-106.8 117.5 17.6 -12.3 -15.2 6 6 A V E -Ab 36 202A 16 195,-3.1 197,-2.9 -2,-0.6 2,-0.9 -0.937 17.3-149.1-117.9 126.0 19.1 -9.4 -17.2 7 7 A N E + b 0 203A 0 28,-2.7 27,-3.1 -2,-0.5 197,-0.1 -0.805 25.9 162.3 -93.9 100.4 22.8 -8.8 -17.9 8 8 A R + 0 0 118 195,-2.0 196,-0.2 -2,-0.9 -1,-0.1 0.415 41.6 113.3 -93.2 0.9 23.4 -5.1 -18.2 9 9 A a S S- 0 0 0 2,-0.2 25,-0.2 1,-0.1 4,-0.1 -0.357 75.8-126.3 -68.5 153.3 27.2 -5.5 -17.7 10 10 A S S S+ 0 0 113 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.609 94.9 62.0 -71.4 -11.5 29.6 -4.7 -20.5 11 11 A Y S S- 0 0 92 21,-0.1 -2,-0.2 1,-0.0 2,-0.2 -0.763 96.7 -94.2-115.5 160.2 31.0 -8.2 -19.9 12 12 A T - 0 0 44 -2,-0.3 43,-0.5 21,-0.1 2,-0.3 -0.467 39.8-169.0 -69.2 137.3 29.5 -11.8 -20.2 13 13 A V E -E 31 0B 0 18,-2.4 18,-2.7 -2,-0.2 2,-0.7 -0.951 20.5-137.7-123.5 151.6 28.2 -13.2 -17.0 14 14 A W E -EF 30 53B 29 39,-2.9 39,-0.9 -2,-0.3 16,-0.2 -0.912 27.5-145.6-106.8 102.9 27.1 -16.8 -16.2 15 15 A A E -EF 29 52B 0 14,-1.8 14,-1.7 -2,-0.7 2,-0.3 -0.368 15.3-164.3 -68.2 151.5 23.9 -16.5 -14.2 16 16 A A E -EF 28 51B 0 35,-2.2 35,-1.9 12,-0.2 2,-0.3 -0.983 11.7-176.0-139.1 143.8 23.2 -19.1 -11.5 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.3 -2,-0.3 2,-0.3 -0.942 21.3 140.9-146.9 119.7 20.1 -20.1 -9.6 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.5 -2,-0.3 5,-0.2 -0.966 46.8-142.9-150.5 160.2 20.0 -22.6 -6.8 19 19 A K - 0 0 80 3,-2.7 4,-0.1 -2,-0.3 2,-0.1 0.195 62.1-100.8-110.3 13.6 18.4 -23.4 -3.4 20 20 A G S S+ 0 0 23 2,-0.6 60,-0.3 29,-0.1 3,-0.1 -0.168 118.1 43.4 103.1 -40.2 21.6 -25.1 -2.1 21 21 A D S S+ 0 0 122 1,-0.2 2,-0.3 58,-0.1 58,-0.1 0.273 122.3 23.4-118.0 9.1 20.6 -28.7 -2.6 22 22 A A S S- 0 0 33 56,-0.1 -3,-2.7 5,-0.0 -2,-0.6 -0.972 79.6-103.1-164.5 153.3 19.0 -28.3 -6.0 23 23 A A E -E 18 0B 36 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.446 29.7-132.3 -68.2 152.7 19.1 -26.2 -9.1 24 24 A L E > S- 0 0 11 -7,-2.3 3,-2.0 53,-0.3 -7,-0.1 -0.977 75.8 -33.9-103.7 126.6 16.3 -23.7 -9.7 25 25 A D E 3 S- 0 0 78 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.320 135.3 -16.7 58.4-143.0 15.1 -24.2 -13.3 26 26 A A E 3 S- 0 0 33 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.603 88.3-133.7 -65.1 -11.9 18.2 -25.0 -15.5 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.2 49,-0.2 50,-0.6 0.089 72.1 14.7 83.2 -27.7 20.5 -23.8 -12.6 28 28 A G E +E 16 0B 0 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.946 56.5 173.4-173.2 155.6 22.7 -21.7 -14.9 29 29 A R E -E 15 0B 76 -14,-1.7 -14,-1.8 -2,-0.3 2,-0.2 -0.952 36.9-101.1-164.9 148.6 23.2 -20.1 -18.3 30 30 A Q E -E 14 0B 83 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.558 31.7-168.5 -71.3 135.8 25.5 -17.8 -20.2 31 31 A L E -E 13 0B 0 -18,-2.7 -18,-2.4 -2,-0.2 3,-0.1 -0.916 7.1-155.6-127.2 105.9 24.3 -14.2 -20.6 32 32 A N > - 0 0 63 -2,-0.4 3,-2.4 -20,-0.2 -25,-0.2 -0.279 51.7 -62.5 -67.8 165.1 26.2 -12.1 -23.0 33 33 A S T 3 S+ 0 0 67 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.340 128.6 12.3 -55.3 120.0 26.1 -8.3 -22.4 34 34 A G T 3 S+ 0 0 52 -27,-3.1 -1,-0.3 1,-0.3 -26,-0.1 0.129 95.1 133.8 99.2 -16.0 22.5 -7.2 -22.8 35 35 A E < - 0 0 75 -3,-2.4 -28,-2.7 -28,-0.1 2,-0.4 -0.329 40.7-152.2 -72.4 149.3 20.9 -10.7 -22.8 36 36 A S E -A 6 0A 57 -30,-0.2 2,-0.4 -28,-0.0 -30,-0.2 -0.962 7.9-169.7-122.3 137.8 17.9 -11.7 -20.7 37 37 A W E -A 5 0A 23 -32,-2.9 -32,-3.1 -2,-0.4 2,-0.5 -0.990 9.0-154.4-129.2 120.4 17.0 -15.1 -19.4 38 38 A T E -A 4 0A 76 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.851 16.1-176.0 -98.7 125.9 13.6 -15.9 -17.9 39 39 A I E -A 3 0A 0 -36,-2.7 -36,-2.5 -2,-0.5 2,-0.5 -0.821 20.7-132.6-114.5 158.7 13.4 -18.7 -15.3 40 40 A N E -A 2 0A 97 -2,-0.3 2,-0.5 -38,-0.2 -38,-0.2 -0.956 17.8-164.8-111.4 128.6 10.5 -20.3 -13.4 41 41 A V - 0 0 3 -40,-3.1 3,-0.1 -2,-0.5 4,-0.1 -0.945 26.6-113.1-116.3 128.4 10.9 -20.9 -9.7 42 42 A E > - 0 0 149 -2,-0.5 3,-1.6 1,-0.1 50,-0.2 -0.312 36.1-104.0 -62.5 137.1 8.5 -23.2 -7.9 43 43 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.263 107.5 32.3 -52.4 146.5 6.1 -21.6 -5.4 44 44 A G T 3 S+ 0 0 39 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.411 78.2 157.6 82.3 -3.0 7.2 -22.2 -1.8 45 45 A T < - 0 0 10 -3,-1.6 47,-3.3 46,-0.1 2,-0.4 -0.429 24.9-161.0 -57.0 118.5 10.9 -22.2 -2.7 46 46 A N + 0 0 97 -2,-0.3 45,-0.2 45,-0.3 -1,-0.0 -0.877 64.2 8.2-105.3 134.0 12.7 -21.4 0.6 47 47 A G S S+ 0 0 26 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.886 82.0 167.5 70.2 37.0 16.2 -20.1 0.7 48 48 A G E - G 0 90B 0 42,-2.6 42,-2.3 -3,-0.3 2,-0.3 -0.544 13.3-166.8 -78.7 150.3 16.6 -19.6 -3.1 49 49 A K E -FG 18 89B 40 -31,-2.5 -31,-2.3 40,-0.2 2,-0.4 -0.999 13.5-166.8-140.7 143.7 19.6 -17.6 -4.5 50 50 A I E +FG 17 88B 0 38,-2.2 38,-2.7 -2,-0.3 2,-0.3 -0.988 21.8 160.1-124.2 138.4 20.6 -16.0 -7.8 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.2 -2,-0.4 2,-0.3 -0.940 34.5-110.3-147.5 169.8 24.1 -14.8 -8.6 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.812 20.5-160.4-101.4 143.8 26.5 -13.9 -11.3 53 53 A R E -F 14 0B 0 -39,-0.9 -39,-2.9 -2,-0.3 2,-0.3 -0.969 12.0-156.3-117.8 142.9 29.6 -15.8 -12.3 54 54 A T E +K 68 0C 18 14,-0.7 14,-1.3 -2,-0.4 13,-1.3 -0.864 61.3 13.6-122.0 154.6 32.5 -14.2 -14.3 55 55 A D E S+ 0 0 89 -43,-0.5 12,-1.1 -2,-0.3 2,-0.3 0.937 79.7 175.2 50.5 61.6 35.3 -15.5 -16.5 56 56 A b E -K 66 0C 7 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.713 22.7-163.0 -99.3 150.0 33.9 -19.0 -17.0 57 57 A Y E +K 65 0C 159 8,-2.6 8,-2.0 -2,-0.3 2,-0.4 -0.997 15.6 171.4-131.8 124.1 35.2 -21.8 -19.2 58 58 A F E -K 64 0C 51 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.996 20.9-143.5-134.9 139.3 33.0 -24.8 -20.1 59 59 A D > - 0 0 91 4,-2.2 3,-1.9 -2,-0.4 4,-0.0 -0.187 49.0 -78.9 -83.6-172.7 33.4 -27.7 -22.5 60 60 A D T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.681 130.5 55.3 -65.7 -21.8 30.5 -29.3 -24.5 61 61 A S T 3 S- 0 0 96 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.384 120.5-106.0 -91.8 4.0 29.3 -31.2 -21.5 62 62 A G S < S+ 0 0 14 -3,-1.9 13,-2.2 1,-0.3 2,-0.4 0.770 76.3 133.8 80.2 28.0 29.0 -28.1 -19.4 63 63 A S B +L 74 0D 49 11,-0.2 -4,-2.2 12,-0.1 -1,-0.3 -0.910 25.2 80.1-115.7 135.8 32.0 -28.7 -17.2 64 64 A G E -K 58 0C 36 9,-2.6 2,-0.3 -2,-0.4 -6,-0.2 -0.818 65.3 -70.2 176.6-134.9 34.7 -26.2 -16.3 65 65 A I E -K 57 0C 104 -8,-2.0 -8,-2.6 -2,-0.2 2,-0.4 -0.984 19.7-149.9-158.7 149.1 35.5 -23.4 -14.0 66 66 A b E -K 56 0C 5 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.947 20.9-135.2-118.2 141.9 34.5 -19.7 -13.2 67 67 A K E S+ 0 0 138 -13,-1.3 2,-0.4 -12,-1.1 -12,-0.2 0.875 95.5 25.6 -62.5 -38.6 36.9 -17.1 -11.7 68 68 A T E S+K 54 0C 6 -14,-1.3 -14,-0.7 1,-0.1 -1,-0.2 -0.985 128.0 6.7-127.5 145.1 34.1 -16.0 -9.4 69 69 A G S S+ 0 0 0 13,-1.5 -1,-0.1 -2,-0.4 -2,-0.1 0.643 73.9 178.0 71.6 19.5 31.0 -17.9 -8.0 70 70 A D - 0 0 30 -4,-0.4 12,-2.1 11,-0.2 2,-0.7 -0.272 19.8-153.4 -59.6 133.2 32.0 -21.3 -9.4 71 71 A c > - 0 0 3 3,-0.4 3,-1.5 10,-0.2 7,-0.2 -0.692 69.2 -56.2-109.9 77.2 29.5 -24.0 -8.5 72 72 A G T 3 S- 0 0 55 -2,-0.7 -8,-0.1 1,-0.3 -1,-0.1 0.805 99.3 -65.6 58.1 31.3 31.5 -27.2 -8.5 73 73 A G T 3 S+ 0 0 9 1,-0.2 -9,-2.6 -10,-0.1 2,-0.4 0.600 99.3 134.2 70.0 16.9 32.5 -26.5 -12.1 74 74 A L B < -L 63 0D 47 -3,-1.5 -3,-0.4 -11,-0.2 -1,-0.2 -0.787 52.0-152.7 -99.4 139.4 29.0 -26.9 -13.6 75 75 A L S S+ 0 0 30 -13,-2.2 2,-1.1 -2,-0.4 -1,-0.2 0.929 99.0 53.8 -62.0 -48.5 27.4 -24.5 -16.1 76 76 A R S S- 0 0 141 -14,-0.3 -1,-0.2 -3,-0.1 -48,-0.2 -0.738 95.4-141.9 -92.5 92.8 24.1 -25.6 -14.7 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.6 -60,-0.2 -0.257 32.6 168.6 -61.4 135.5 24.4 -25.0 -10.9 78 78 A K S S+ 0 0 122 -7,-0.2 2,-0.3 -55,-0.1 -59,-0.2 0.421 71.7 35.6-116.0 -14.3 22.9 -27.4 -8.4 79 79 A R S S- 0 0 146 -58,-0.1 -58,-0.1 -8,-0.1 -1,-0.1 -0.868 99.0 -74.7-133.3 169.0 24.7 -25.9 -5.3 80 80 A F - 0 0 73 -60,-0.3 2,-0.1 -2,-0.3 -2,-0.1 -0.162 55.3-105.0 -65.4 162.6 25.7 -22.5 -4.1 81 81 A G - 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