==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 02-MAR-11 3QY5 . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR V.STOJANOFF,J.JANKONCIC,M.O.A.SOMMER . 206 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 58.7 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 28.2 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 . 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 27 0, 0.0 40,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.4 7.4 -17.0 -10.0 2 2 A T E -A 40 0A 49 38,-0.2 197,-2.5 195,-0.0 2,-0.5 -0.817 360.0-171.0 -99.4 140.3 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,-0.6 -0.974 10.0-155.7-125.3 113.5 12.8 -14.0 -12.5 4 4 A E E -Ab 38 200A 54 195,-2.5 197,-2.4 -2,-0.5 2,-0.6 -0.823 10.8-158.7 -87.3 122.0 14.2 -12.2 -15.5 5 5 A I E -Ab 37 201A 0 32,-3.1 32,-2.7 -2,-0.6 2,-0.5 -0.916 11.8-172.4-107.0 119.8 17.9 -12.1 -15.2 6 6 A V E -Ab 36 202A 14 195,-2.9 197,-2.9 -2,-0.6 2,-0.9 -0.958 17.7-150.7-121.8 127.6 19.5 -9.4 -17.3 7 7 A N E + b 0 203A 0 28,-2.8 27,-3.3 -2,-0.5 28,-0.1 -0.838 25.0 162.7 -98.0 101.1 23.2 -8.8 -17.9 8 8 A R + 0 0 138 195,-2.2 196,-0.2 -2,-0.9 -1,-0.1 0.415 43.7 112.9 -93.3 1.2 23.8 -5.1 -18.5 9 9 A a S S- 0 0 1 194,-0.2 25,-0.2 2,-0.1 4,-0.1 -0.342 76.1-126.4 -67.1 157.3 27.6 -5.6 -17.8 10 10 A S S S+ 0 0 111 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.541 93.3 62.5 -78.4 -7.6 30.0 -5.0 -20.7 11 11 A Y S S- 0 0 91 21,-0.1 -2,-0.1 1,-0.0 2,-0.1 -0.827 95.3 -96.5-115.8 156.4 31.4 -8.5 -19.9 12 12 A T - 0 0 43 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.400 39.1-170.9 -66.5 142.2 29.8 -12.0 -20.1 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.3 41,-0.1 2,-0.7 -0.933 21.8-135.9-126.6 158.9 28.5 -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 27.5-144.8-111.8 103.9 27.2 -16.9 -16.0 15 15 A A E -EF 29 52B 0 14,-1.9 14,-1.7 -2,-0.7 2,-0.3 -0.383 16.1-164.8 -66.3 152.2 24.1 -16.5 -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 11.2-174.8-140.5 147.7 23.4 -19.0 -11.3 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.2 -2,-0.3 2,-0.3 -0.953 20.6 143.3-148.2 123.5 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 46.2-144.8-154.2 157.0 20.0 -22.3 -6.4 19 19 A K - 0 0 78 3,-2.5 4,-0.1 -2,-0.3 2,-0.1 0.144 63.4-100.8-110.9 18.0 18.4 -22.9 -3.0 20 20 A G S S+ 0 0 19 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.150 117.4 44.2 101.4 -39.5 21.6 -24.6 -1.7 21 21 A D S S+ 0 0 100 1,-0.2 2,-0.3 58,-0.1 58,-0.1 0.255 121.9 22.6-118.2 7.0 20.5 -28.2 -2.1 22 22 A A S S- 0 0 33 56,-0.1 -3,-2.5 5,-0.0 -2,-0.5 -0.970 80.6 -99.8-164.9 153.6 19.0 -27.9 -5.5 23 23 A A E -E 18 0B 35 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.406 28.5-133.2 -65.7 151.2 19.1 -25.9 -8.7 24 24 A L E > S- 0 0 9 -7,-2.2 3,-2.0 53,-0.3 -7,-0.1 -0.969 77.0 -33.2-101.3 127.8 16.3 -23.3 -9.4 25 25 A D E 3 S- 0 0 74 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.352 135.2 -18.6 56.5-138.1 15.2 -23.8 -13.0 26 26 A A E 3 S- 0 0 28 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.623 88.9-129.9 -74.4 -12.4 18.2 -25.0 -15.0 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.2 49,-0.2 50,-0.6 0.058 72.6 11.5 90.2 -27.7 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 -0.951 55.2 174.5-174.0 159.1 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 -0.949 36.9 -98.7-166.6 150.5 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 -0.559 31.6-167.8 -72.5 137.4 25.7 -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 -0.927 6.4-157.2-125.6 103.4 24.6 -14.3 -20.4 32 32 A N > - 0 0 63 -2,-0.4 3,-2.6 -20,-0.2 -25,-0.3 -0.276 50.8 -62.5 -66.9 167.3 26.6 -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 -0.312 128.4 12.0 -55.1 121.5 26.5 -8.5 -22.5 34 34 A G T 3 S+ 0 0 53 -27,-3.3 -1,-0.3 1,-0.3 -26,-0.1 0.191 95.8 132.7 96.9 -15.3 22.9 -7.4 -23.0 35 35 A E < - 0 0 74 -3,-2.6 -28,-2.8 -28,-0.1 2,-0.4 -0.359 40.2-154.5 -75.8 153.2 21.3 -10.9 -22.8 36 36 A S E -A 6 0A 55 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.974 7.7-171.8-126.3 136.1 18.2 -11.7 -20.7 37 37 A W E -A 5 0A 24 -32,-2.7 -32,-3.1 -2,-0.4 2,-0.5 -0.996 10.6-153.4-130.5 122.7 17.3 -15.1 -19.3 38 38 A T E -A 4 0A 67 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.866 14.9-172.9-104.2 123.4 14.0 -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 -0.784 19.5-133.1-109.5 158.4 13.7 -18.5 -15.1 40 40 A N E -A 2 0A 96 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.2 -0.957 18.1-166.3-111.2 126.2 10.8 -20.0 -13.2 41 41 A V - 0 0 4 -40,-2.9 3,-0.1 -2,-0.5 4,-0.1 -0.959 27.9-111.8-113.4 129.8 11.2 -20.5 -9.4 42 42 A E > - 0 0 154 -2,-0.5 3,-1.6 1,-0.1 50,-0.2 -0.308 36.7-103.0 -60.8 137.3 8.6 -22.7 -7.6 43 43 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.250 107.9 33.8 -53.5 147.1 6.3 -21.0 -5.2 44 44 A G T 3 S+ 0 0 35 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.446 77.5 158.2 84.9 0.3 7.3 -21.5 -1.6 45 45 A T < - 0 0 12 -3,-1.6 47,-3.1 46,-0.1 2,-0.4 -0.432 24.1-161.3 -61.7 124.1 11.0 -21.5 -2.4 46 46 A N + 0 0 98 45,-0.3 45,-0.2 -2,-0.2 -1,-0.0 -0.917 65.0 7.9-111.8 132.3 12.8 -20.7 0.8 47 47 A G S S+ 0 0 25 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.849 82.2 166.3 70.6 34.8 16.4 -19.4 0.9 48 48 A G E - G 0 90B 1 42,-2.4 42,-2.4 -3,-0.3 2,-0.3 -0.512 13.8-167.8 -77.9 152.6 16.8 -19.0 -2.9 49 49 A K E -FG 18 89B 39 -31,-2.5 -31,-2.2 40,-0.2 2,-0.4 -0.997 13.4-166.4-141.1 145.5 19.8 -17.1 -4.3 50 50 A I E +FG 17 88B 0 38,-2.2 38,-2.7 -2,-0.3 2,-0.3 -0.986 22.1 158.7-124.5 140.1 20.8 -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 -0.949 35.6-112.0-150.9 166.6 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 -0.812 21.3-155.1 -98.9 149.2 26.7 -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 -0.959 12.8-154.3-118.5 144.7 29.8 -15.8 -12.0 54 54 A T E +K 68 0C 18 14,-0.8 13,-1.7 -2,-0.4 14,-1.1 -0.839 61.7 14.0-121.1 152.3 32.8 -14.3 -13.9 55 55 A D E S+ 0 0 87 -43,-0.4 12,-0.5 -2,-0.3 2,-0.3 0.927 80.8 170.7 57.6 55.5 35.6 -15.7 -16.0 56 56 A b E -K 66 0C 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.670 25.2-167.5 -99.1 153.4 34.2 -19.1 -16.5 57 57 A Y E +K 65 0C 175 8,-2.6 8,-2.1 -2,-0.3 2,-0.4 -0.986 11.6 178.8-136.4 126.7 35.2 -22.0 -18.8 58 58 A F E -K 64 0C 47 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.982 18.7-138.6-129.5 139.4 32.9 -25.0 -19.4 59 59 A D > - 0 0 88 4,-2.7 3,-2.0 -2,-0.4 4,-0.0 -0.206 46.5 -82.2 -79.6-177.7 33.4 -28.1 -21.5 60 60 A D T 3 S+ 0 0 183 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.644 130.2 55.1 -62.8 -17.9 30.7 -29.6 -23.7 61 61 A S T 3 S- 0 0 93 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.443 120.4-105.7 -93.2 -3.2 29.3 -31.5 -20.7 62 62 A G S < S+ 0 0 16 -3,-2.0 13,-2.6 1,-0.3 2,-0.4 0.748 79.2 127.9 82.7 26.2 28.9 -28.3 -18.6 63 63 A S B +L 74 0D 50 11,-0.2 -4,-2.7 12,-0.1 -1,-0.3 -0.923 28.0 88.6-115.1 139.8 31.9 -28.9 -16.3 64 64 A G E -K 58 0C 34 9,-2.9 2,-0.3 -2,-0.4 -6,-0.2 -0.832 62.9 -71.1 176.4-136.1 34.6 -26.4 -15.7 65 65 A I E -K 57 0C 103 -8,-2.1 -8,-2.6 -2,-0.2 2,-0.3 -0.985 20.6-160.8-153.8 150.0 35.6 -23.5 -13.5 66 66 A b E -K 56 0C 8 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.981 22.2-136.3-128.3 152.1 34.7 -19.8 -12.7 67 67 A K E S+ 0 0 118 -13,-1.7 2,-0.4 -12,-0.5 -12,-0.2 0.781 93.7 27.1 -77.8 -29.0 36.9 -17.3 -10.9 68 68 A T E S+K 54 0C 2 -14,-1.1 -14,-0.8 1,-0.1 -1,-0.2 -0.997 128.3 7.8-129.6 141.8 34.0 -16.0 -8.9 69 69 A G S S+ 0 0 0 13,-2.2 -2,-0.1 -2,-0.4 16,-0.1 0.548 73.7 173.0 75.4 13.1 30.9 -17.8 -7.8 70 70 A D - 0 0 27 -4,-0.4 12,-2.2 12,-0.2 2,-0.7 -0.237 20.2-155.6 -57.9 134.1 31.9 -21.2 -9.0 71 71 A c > - 0 0 3 3,-0.5 3,-1.5 10,-0.2 7,-0.3 -0.745 69.2 -52.1-114.5 78.6 29.4 -23.9 -7.9 72 72 A G T 3 S- 0 0 74 -2,-0.7 -8,-0.1 1,-0.3 -1,-0.1 0.801 100.7 -66.2 62.7 27.8 31.3 -27.2 -7.8 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-2.9 -10,-0.1 2,-0.4 0.631 100.5 133.3 71.4 16.1 32.5 -26.6 -11.4 74 74 A L B < -L 63 0D 59 -3,-1.5 -3,-0.5 -11,-0.2 -1,-0.2 -0.795 54.0-152.0-104.1 141.2 29.0 -26.9 -12.9 75 75 A L S S+ 0 0 40 -13,-2.6 2,-1.1 -2,-0.4 -1,-0.2 0.925 99.3 53.3 -62.8 -47.8 27.4 -24.7 -15.5 76 76 A R S S- 0 0 161 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.756 95.3-142.2 -95.5 94.2 24.1 -25.7 -14.1 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.6 -60,-0.2 -0.325 32.7 169.5 -65.9 135.8 24.4 -24.9 -10.4 78 78 A K S S+ 0 0 126 -7,-0.3 2,-0.3 -55,-0.1 -59,-0.2 0.414 71.7 35.9-110.8 -13.2 22.9 -27.2 -7.8 79 79 A R S S- 0 0 134 -58,-0.1 -58,-0.1 -8,-0.1 -62,-0.1 -0.838 98.0 -74.6-133.0 172.6 24.6 -25.6 -4.8 80 80 A F - 0 0 82 -60,-0.4 2,-0.2 -2,-0.3 -8,-0.2 -0.212 53.9-104.8 -71.2 161.3 25.7 -22.1 -3.7 81 81 A G - 0 0 15 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.2 -0.475 28.8 -98.7 -94.1 157.8 28.7 -20.4 -5.3 82 82 A R - 0 0 167 -12,-2.2 -13,-2.2 -2,-0.2 -12,-0.2 -0.533 62.9 -74.7 -72.1 128.4 32.2 -19.8 -4.0 83 83 A P S S+ 0 0 27 0, 0.0 24,-0.1 0, 0.0 -13,-0.1 -0.213 102.1 67.7 -58.1 155.5 32.8 -16.3 -2.6 84 84 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.329 72.1 141.1 -84.6 137.0 33.1 -13.5 -3.5 85 85 A T - 0 0 2 21,-2.1 21,-0.4 60,-0.1 2,-0.3 -0.925 48.0-138.7-144.1 118.7 29.5 -13.3 -4.8 86 86 A T - 0 0 0 -2,-0.3 2,-0.5 -34,-0.1 -34,-0.4 -0.576 37.7-143.9 -66.8 133.5 27.0 -10.4 -4.6 87 87 A L E - H 0 103B 9 16,-2.4 16,-2.3 -2,-0.3 2,-0.6 -0.921 24.4-161.0-118.2 126.5 23.8 -12.2 -3.7 88 88 A A E -GH 50 102B 0 -38,-2.7 -38,-2.2 -2,-0.5 2,-0.4 -0.905 30.9-169.3 -89.3 119.3 20.2 -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 -0.903 11.6 166.0-122.8 141.1 18.3 -13.5 -1.9 90 90 A F E -GH 48 100B 4 -42,-2.4 -42,-2.4 -2,-0.4 2,-0.4 -0.998 26.4-164.9-155.0 147.9 14.6 -14.5 -1.6 91 91 A S E - 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