==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 14-SEP-12 4BAL . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR R.TALON,R.KAHN,A.GAUTIER,L.NAUTON,E.GIRARD . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9665.0 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 . 57 27.5 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 . 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 . 2 1.0 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 30 0, 0.0 40,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.0 -7.4 16.9 -10.0 2 2 A T E -A 40 0A 49 38,-0.2 197,-2.5 195,-0.0 2,-0.5 -0.800 360.0-170.3 -98.4 138.1 -9.4 15.5 -12.9 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-2.6 -2,-0.4 2,-0.7 -0.976 9.4-156.8-122.2 112.1 -12.8 14.0 -12.5 4 4 A E E -Ab 38 200A 51 195,-2.6 197,-2.3 -2,-0.5 2,-0.6 -0.830 10.6-160.0 -88.7 117.6 -14.1 12.1 -15.5 5 5 A I E -Ab 37 201A 0 32,-3.1 32,-2.8 -2,-0.7 2,-0.4 -0.897 11.2-173.3-105.1 119.1 -17.9 12.1 -15.2 6 6 A V E -Ab 36 202A 15 195,-3.0 197,-2.9 -2,-0.6 2,-0.9 -0.958 18.1-150.1-121.6 127.2 -19.5 9.4 -17.3 7 7 A N E + b 0 203A 0 28,-2.7 27,-3.4 -2,-0.4 28,-0.1 -0.837 24.8 163.3 -98.5 101.6 -23.2 8.8 -17.9 8 8 A R + 0 0 125 195,-2.1 196,-0.2 -2,-0.9 -1,-0.2 0.413 43.5 112.7 -93.1 0.7 -23.9 5.1 -18.5 9 9 A a S S- 0 0 0 194,-0.2 25,-0.2 2,-0.1 4,-0.1 -0.335 76.3-125.7 -66.7 157.8 -27.6 5.6 -17.9 10 10 A S S S+ 0 0 100 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.583 93.5 62.3 -78.6 -8.6 -30.0 5.1 -20.7 11 11 A Y S S- 0 0 92 21,-0.1 -2,-0.1 1,-0.0 2,-0.1 -0.797 95.1 -96.4-114.4 156.6 -31.4 8.6 -20.0 12 12 A T - 0 0 43 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.409 39.0-171.3 -64.8 141.7 -29.8 12.0 -20.1 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.2 41,-0.1 2,-0.6 -0.924 22.2-135.2-127.6 159.7 -28.5 13.5 -16.8 14 14 A W E -EF 30 53B 34 39,-2.4 39,-1.0 -2,-0.3 16,-0.3 -0.943 27.7-143.9-112.3 102.5 -27.3 17.0 -16.1 15 15 A A E -EF 29 52B 0 14,-1.9 14,-1.7 -2,-0.6 2,-0.3 -0.384 16.1-164.7 -64.5 150.7 -24.1 16.5 -14.0 16 16 A A E -EF 28 51B 0 35,-2.4 35,-1.9 12,-0.2 2,-0.3 -0.983 11.0-175.6-137.7 147.8 -23.4 19.0 -11.2 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.2 -2,-0.3 2,-0.3 -0.946 21.2 142.3-148.8 121.1 -20.2 19.8 -9.3 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.5 -2,-0.3 5,-0.2 -0.980 46.8-145.5-153.1 156.2 -20.1 22.3 -6.4 19 19 A K - 0 0 79 3,-2.5 4,-0.1 -2,-0.3 60,-0.1 0.145 62.8-101.7-111.8 19.5 -18.5 22.9 -3.0 20 20 A G S S+ 0 0 12 2,-0.4 60,-0.4 58,-0.1 3,-0.1 -0.095 117.0 45.2 98.3 -36.4 -21.6 24.6 -1.7 21 21 A D S S+ 0 0 102 1,-0.3 2,-0.3 58,-0.1 58,-0.2 0.235 121.8 21.6-120.2 9.2 -20.4 28.2 -2.0 22 22 A A S S- 0 0 35 56,-0.5 -3,-2.5 5,-0.0 -2,-0.4 -0.950 80.3-100.8-167.6 151.8 -18.9 27.9 -5.5 23 23 A A E -E 18 0B 38 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.399 28.6-132.6 -65.9 149.5 -19.0 25.9 -8.7 24 24 A L E > S- 0 0 9 -7,-2.2 3,-2.1 53,-0.3 -7,-0.1 -0.963 77.5 -33.1 -98.8 128.1 -16.3 23.3 -9.3 25 25 A D E 3 S- 0 0 74 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.344 135.4 -18.7 55.6-137.8 -15.1 23.8 -12.9 26 26 A A E 3 S- 0 0 34 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.618 89.1-129.7 -74.2 -11.7 -18.1 25.0 -14.9 27 27 A G E < S+ 0 0 0 -3,-2.1 -10,-2.2 49,-0.2 50,-0.7 0.084 72.4 11.1 88.2 -25.6 -20.5 23.6 -12.2 28 28 A G E +E 16 0B 2 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.945 55.2 175.7-175.9 159.1 -22.8 21.6 -14.5 29 29 A R E -E 15 0B 85 -14,-1.7 -14,-1.9 -2,-0.3 2,-0.2 -0.951 37.0 -98.8-166.0 150.3 -23.3 20.2 -18.0 30 30 A Q E -E 14 0B 82 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.557 32.8-168.6 -71.4 136.2 -25.7 18.0 -19.9 31 31 A L E -E 13 0B 0 -18,-3.2 -18,-2.3 -2,-0.2 3,-0.1 -0.921 6.4-156.8-127.5 106.8 -24.6 14.4 -20.4 32 32 A N > - 0 0 62 -2,-0.4 3,-2.5 -20,-0.2 -25,-0.3 -0.268 50.5 -61.5 -68.7 166.9 -26.5 12.3 -22.9 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.340 128.2 10.5 -55.3 121.6 -26.5 8.5 -22.5 34 34 A G T 3 S+ 0 0 52 -27,-3.4 -1,-0.3 1,-0.3 -26,-0.1 0.175 96.2 133.2 94.7 -14.2 -22.8 7.4 -22.9 35 35 A E < - 0 0 74 -3,-2.5 -28,-2.7 -28,-0.1 2,-0.4 -0.364 40.7-152.6 -74.1 152.9 -21.3 10.9 -22.8 36 36 A S E -A 6 0A 57 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.974 8.7-172.0-125.5 136.1 -18.2 11.8 -20.7 37 37 A W E -A 5 0A 24 -32,-2.8 -32,-3.1 -2,-0.4 2,-0.5 -0.995 9.8-155.8-129.8 120.2 -17.3 15.2 -19.3 38 38 A T E -A 4 0A 72 -2,-0.4 2,-0.3 -34,-0.3 -34,-0.2 -0.881 14.5-174.1-103.2 124.1 -13.9 15.7 -17.6 39 39 A I E -A 3 0A 0 -36,-2.6 -36,-2.4 -2,-0.5 2,-0.5 -0.778 21.0-130.6-111.0 159.8 -13.6 18.5 -15.1 40 40 A N E -A 2 0A 99 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.3 -0.949 19.1-165.8-109.9 125.6 -10.7 20.0 -13.2 41 41 A V - 0 0 2 -40,-2.9 3,-0.1 -2,-0.5 -17,-0.1 -0.944 27.8-112.0-111.8 131.9 -11.1 20.4 -9.4 42 42 A E > - 0 0 150 -2,-0.5 3,-1.6 1,-0.1 50,-0.2 -0.319 35.9-103.7 -64.5 138.1 -8.7 22.6 -7.6 43 43 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.266 107.8 33.6 -54.0 146.6 -6.3 20.9 -5.2 44 44 A G T 3 S+ 0 0 36 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.412 77.7 158.5 84.8 -1.4 -7.3 21.4 -1.6 45 45 A T < - 0 0 12 -3,-1.6 47,-3.0 46,-0.1 2,-0.4 -0.384 24.0-161.2 -58.9 122.4 -11.0 21.4 -2.4 46 46 A N + 0 0 101 45,-0.3 45,-0.2 1,-0.2 -1,-0.1 -0.901 64.9 6.8-110.4 131.1 -12.8 20.6 0.8 47 47 A G S S+ 0 0 29 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.866 82.5 166.2 70.5 36.1 -16.4 19.3 0.9 48 48 A G E - G 0 90B 1 42,-2.5 42,-2.3 -3,-0.3 2,-0.3 -0.523 14.4-166.5 -79.6 153.1 -16.9 19.0 -2.8 49 49 A K E -FG 18 89B 40 -31,-2.5 -31,-2.2 40,-0.2 2,-0.4 -0.998 13.1-166.2-140.9 144.2 -19.8 17.1 -4.3 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.6 -2,-0.3 2,-0.3 -0.986 22.4 159.2-123.7 138.3 -20.8 15.7 -7.7 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.4 -2,-0.4 2,-0.3 -0.961 35.4-112.6-148.8 167.3 -24.3 14.5 -8.5 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.798 21.5-155.4 -99.4 147.0 -26.7 13.8 -11.3 53 53 A R E -F 14 0B 0 -39,-1.0 -39,-2.4 -2,-0.3 2,-0.3 -0.959 12.8-153.9-117.9 142.5 -29.8 15.9 -12.0 54 54 A T B +K 68 0C 19 14,-0.8 13,-1.9 -2,-0.4 14,-1.1 -0.850 61.3 13.5-118.7 152.4 -32.8 14.4 -13.9 55 55 A D S S+ 0 0 101 -43,-0.4 12,-0.5 -2,-0.3 2,-0.3 0.935 81.6 170.7 56.7 57.5 -35.6 15.7 -16.0 56 56 A b - 0 0 17 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.666 26.9-166.3-100.7 152.9 -34.2 19.2 -16.6 57 57 A Y E +L 65 0D 147 8,-2.6 8,-2.2 -2,-0.3 2,-0.4 -0.995 12.2 179.1-132.0 130.6 -35.1 22.1 -18.8 58 58 A F E -L 64 0D 34 -2,-0.4 6,-0.2 6,-0.2 16,-0.1 -0.998 18.1-139.3-131.2 138.9 -32.8 25.0 -19.4 59 59 A D > - 0 0 60 4,-2.9 3,-1.9 -2,-0.4 5,-0.0 -0.168 44.8 -84.1 -81.3-176.4 -33.2 28.1 -21.5 60 60 A D T 3 S+ 0 0 165 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.601 129.6 54.8 -69.6 -11.0 -30.5 29.7 -23.6 61 61 A S T 3 S- 0 0 83 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.416 120.6-105.9 -98.1 -1.6 -29.1 31.6 -20.6 62 62 A G S < S+ 0 0 15 -3,-1.9 13,-2.6 1,-0.3 2,-0.4 0.757 79.0 127.0 83.5 25.8 -28.7 28.4 -18.6 63 63 A S B +M 74 0E 49 11,-0.2 -4,-2.9 12,-0.1 -1,-0.3 -0.924 28.5 90.6-116.0 140.0 -31.7 29.0 -16.3 64 64 A G E -L 58 0D 28 9,-2.8 2,-0.3 -2,-0.4 -6,-0.2 -0.822 62.1 -71.6 178.4-134.9 -34.5 26.5 -15.7 65 65 A I E -L 57 0D 104 -8,-2.2 -8,-2.6 -2,-0.2 2,-0.3 -0.992 20.8-160.2-155.7 148.0 -35.5 23.6 -13.5 66 66 A b - 0 0 8 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.974 21.5-137.4-128.3 150.1 -34.7 19.9 -12.7 67 67 A K S S+ 0 0 125 -13,-1.9 2,-0.4 -12,-0.5 -12,-0.2 0.784 93.9 26.7 -78.1 -28.5 -36.9 17.4 -11.0 68 68 A T B S+K 54 0C 2 -14,-1.1 -14,-0.8 1,-0.1 -1,-0.2 -0.997 128.3 8.3-128.6 142.7 -34.0 16.0 -8.9 69 69 A G S S+ 0 0 0 13,-2.2 -2,-0.1 -2,-0.4 -1,-0.1 0.581 73.5 173.8 75.0 14.3 -30.9 17.8 -7.8 70 70 A D - 0 0 29 -4,-0.4 12,-2.2 11,-0.2 2,-0.6 -0.270 19.6-156.0 -58.3 134.0 -31.9 21.3 -8.9 71 71 A c > - 0 0 3 3,-0.4 3,-1.5 10,-0.2 7,-0.3 -0.729 69.4 -53.1-113.0 78.1 -29.3 24.0 -7.8 72 72 A G T 3 S- 0 0 78 -2,-0.6 -8,-0.1 1,-0.3 -1,-0.1 0.809 100.1 -66.2 62.9 28.1 -31.3 27.2 -7.7 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-2.8 -10,-0.1 2,-0.4 0.642 99.9 134.5 71.4 15.0 -32.4 26.7 -11.3 74 74 A L B < -M 63 0E 58 -3,-1.5 -3,-0.4 -11,-0.2 -1,-0.2 -0.775 52.9-152.8-100.6 141.5 -28.9 27.0 -12.8 75 75 A L S S+ 0 0 42 -13,-2.6 2,-1.1 -2,-0.4 -1,-0.2 0.926 99.4 53.0 -65.2 -44.8 -27.3 24.7 -15.5 76 76 A R S S- 0 0 166 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.759 95.9-141.6 -97.3 94.4 -24.0 25.7 -14.0 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.7 -60,-0.2 -0.310 35.1 165.9 -66.7 135.7 -24.3 25.0 -10.3 78 78 A K S S+ 0 0 129 -7,-0.3 -56,-0.5 -55,-0.1 -59,-0.3 0.535 72.3 41.4-108.9 -27.5 -22.8 27.2 -7.7 79 79 A R S S- 0 0 156 -8,-0.2 -58,-0.1 -58,-0.2 -62,-0.1 -0.637 97.4 -80.9-116.0 174.9 -24.8 25.7 -4.8 80 80 A F - 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