==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 21-MAY-08 2VU6 . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.JAKONCIC,N.ASHERIE,C.GINSBERG . 207 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10035.0 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 . 9 4.3 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 . 0 1 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 35 0, 0.0 40,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 147.7 9.5 -4.8 28.1 2 2 A T E -A 40 0A 46 38,-0.2 197,-2.5 36,-0.0 2,-0.5 -0.790 360.0-167.5-101.1 142.5 11.2 -7.4 25.9 3 3 A F E -Ab 39 199A 0 36,-2.3 36,-2.7 -2,-0.4 2,-0.6 -0.980 9.3-155.5-126.1 114.9 10.2 -8.1 22.3 4 4 A E E -Ab 38 200A 61 195,-2.6 197,-2.5 -2,-0.5 2,-0.6 -0.837 8.6-160.2 -91.7 118.5 11.7 -11.2 20.8 5 5 A I E -Ab 37 201A 0 32,-3.0 32,-2.6 -2,-0.6 2,-0.5 -0.908 11.1-171.8-107.9 117.9 11.8 -10.9 17.0 6 6 A V E -Ab 36 202A 10 195,-2.9 197,-2.9 -2,-0.6 2,-0.8 -0.957 15.9-152.7-121.4 123.1 12.1 -14.2 15.3 7 7 A N E + b 0 203A 0 28,-2.9 27,-2.5 -2,-0.5 28,-0.2 -0.843 25.3 160.9 -98.9 104.0 12.6 -14.8 11.6 8 8 A R + 0 0 163 195,-2.3 196,-0.2 -2,-0.8 -1,-0.1 0.304 43.8 111.0 -97.4 3.6 11.2 -18.2 10.5 9 9 A a S S- 0 0 3 2,-0.2 25,-0.2 194,-0.1 4,-0.1 -0.345 77.5-121.3 -71.3 166.1 11.1 -17.2 6.8 10 10 A S S S+ 0 0 113 23,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.096 95.3 60.4 -94.8 27.3 13.4 -18.8 4.1 11 11 A Y S S- 0 0 91 21,-0.1 -2,-0.2 20,-0.1 23,-0.2 -0.985 93.9 -95.6-147.3 158.7 14.7 -15.4 3.5 12 12 A T - 0 0 37 -2,-0.3 43,-0.4 21,-0.1 2,-0.4 -0.442 33.2-166.4 -70.1 141.6 16.5 -12.7 5.4 13 13 A V E -E 31 0B 0 18,-2.4 18,-3.2 -2,-0.2 2,-0.9 -0.977 18.6-141.3-122.7 147.1 14.6 -9.8 6.9 14 14 A W E -EF 30 53B 31 39,-2.7 39,-1.0 -2,-0.4 16,-0.3 -0.903 30.3-144.6-102.2 99.0 16.1 -6.6 8.2 15 15 A A E -EF 29 52B 0 14,-2.0 14,-1.7 -2,-0.9 2,-0.3 -0.356 16.4-164.3 -65.0 152.2 13.9 -6.1 11.3 16 16 A A E -EF 28 51B 0 35,-2.3 35,-1.9 12,-0.2 2,-0.3 -0.988 12.0-176.1-139.9 147.0 13.0 -2.6 12.3 17 17 A A E + F 0 50B 0 10,-2.1 7,-2.3 -2,-0.3 2,-0.3 -0.957 20.5 144.1-149.2 122.7 11.7 -1.0 15.5 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.5 -2,-0.3 5,-0.2 -0.984 46.3-144.5-152.5 159.2 10.7 2.6 15.9 19 19 A K - 0 0 85 3,-2.5 4,-0.1 -2,-0.3 60,-0.1 0.170 65.2 -97.5-112.0 14.8 8.3 5.0 17.6 20 20 A G S S+ 0 0 18 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.106 117.9 42.4 106.6 -36.7 8.3 7.4 14.6 21 21 A D S S+ 0 0 93 1,-0.3 2,-0.3 58,-0.1 58,-0.2 0.250 122.0 20.8-118.7 3.8 10.8 10.0 15.8 22 22 A A S S- 0 0 33 5,-0.0 -3,-2.5 55,-0.0 -2,-0.5 -0.965 82.1 -94.9-164.2 156.1 13.4 7.6 17.3 23 23 A A E -E 18 0B 35 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.386 28.6-132.3 -64.9 151.1 14.6 4.1 17.3 24 24 A L E > S- 0 0 10 -7,-2.3 3,-2.2 53,-0.2 -7,-0.1 -0.952 78.7 -33.7 -98.4 127.5 13.4 1.5 19.7 25 25 A D E 3 S- 0 0 73 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.322 135.8 -16.6 56.7-138.3 16.5 -0.2 21.0 26 26 A A E 3 S- 0 0 20 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.571 88.0-132.7 -74.8 -10.1 19.1 -0.4 18.2 27 27 A G E < S+ 0 0 0 -3,-2.2 -10,-2.1 49,-0.2 50,-0.5 0.000 72.4 16.2 87.0 -31.8 16.3 0.4 15.6 28 28 A G E +E 16 0B 4 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.967 54.9 175.8-167.6 159.3 17.2 -2.4 13.1 29 29 A R E -E 15 0B 123 -14,-1.7 -14,-2.0 -2,-0.3 2,-0.4 -0.945 35.5-107.6-164.2 142.4 19.2 -5.5 12.6 30 30 A Q E -E 14 0B 86 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.2 -0.600 31.9-170.2 -71.1 130.1 19.7 -8.2 9.9 31 31 A L E -E 13 0B 2 -18,-3.2 -18,-2.4 -2,-0.4 3,-0.1 -0.917 7.0-156.9-124.4 102.9 18.0 -11.5 10.7 32 32 A N > - 0 0 67 -2,-0.5 3,-2.7 -20,-0.2 -25,-0.2 -0.272 48.6 -64.7 -66.2 164.5 18.9 -14.3 8.4 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -25,-0.1 -1,-0.2 -0.316 129.2 18.4 -50.2 127.8 16.5 -17.2 8.1 34 34 A G T 3 S+ 0 0 62 -27,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.343 99.2 122.0 91.3 -7.0 16.3 -18.8 11.5 35 35 A E < - 0 0 85 -3,-2.7 -28,-2.9 -28,-0.2 -1,-0.3 -0.592 42.1-159.1 -93.5 155.1 17.8 -15.9 13.5 36 36 A S E -A 6 0A 59 -30,-0.2 2,-0.4 -2,-0.2 -30,-0.2 -0.916 6.0-164.2-128.4 157.2 16.2 -14.0 16.4 37 37 A W E -A 5 0A 5 -32,-2.6 -32,-3.0 -2,-0.3 2,-0.6 -0.977 8.2-155.4-143.3 123.2 16.8 -10.6 18.0 38 38 A T E -A 4 0A 71 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.905 16.3-174.3-104.2 124.8 15.5 -9.6 21.4 39 39 A I E -A 3 0A 0 -36,-2.7 -36,-2.3 -2,-0.6 2,-0.5 -0.765 21.6-131.0-112.4 159.6 15.0 -5.9 22.0 40 40 A N E -A 2 0A 84 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.2 -0.963 19.4-164.6-110.1 125.6 14.1 -3.9 25.1 41 41 A V - 0 0 2 -40,-3.0 3,-0.1 -2,-0.5 -17,-0.1 -0.936 26.5-114.5-110.0 129.4 11.3 -1.3 24.7 42 42 A E > - 0 0 134 -2,-0.4 3,-1.6 1,-0.1 50,-0.2 -0.316 35.2-101.0 -65.7 144.4 10.9 1.3 27.4 43 43 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.213 106.2 30.9 -59.0 151.2 7.8 1.2 29.5 44 44 A G T 3 S+ 0 0 32 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.386 79.8 155.7 81.1 -3.2 5.1 3.8 28.5 45 45 A T < - 0 0 16 -3,-1.6 47,-3.0 46,-0.1 2,-0.4 -0.360 23.4-164.7 -59.6 129.3 6.1 3.7 24.8 46 46 A N + 0 0 108 45,-0.3 45,-0.2 1,-0.2 -1,-0.0 -0.885 64.4 15.5-111.8 146.5 3.2 4.8 22.7 47 47 A G S S+ 0 0 30 -2,-0.4 44,-0.2 1,-0.2 2,-0.2 0.808 80.1 164.6 66.3 33.1 2.9 4.3 19.0 48 48 A G E - G 0 90B 0 42,-2.4 42,-2.3 -3,-0.2 2,-0.3 -0.522 14.2-169.7 -78.2 149.6 5.7 1.7 18.7 49 49 A K E -FG 18 89B 40 -31,-2.5 -31,-2.2 40,-0.2 2,-0.4 -0.999 13.9-167.8-141.2 143.8 6.0 -0.4 15.6 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.6 -2,-0.3 2,-0.3 -0.982 22.2 159.0-123.9 140.0 8.0 -3.4 14.5 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.4 -0.967 35.8-112.5-151.2 165.7 8.2 -4.5 10.9 52 52 A A E -F 15 0B 0 34,-0.5 2,-0.4 -2,-0.3 -37,-0.2 -0.804 20.4-155.8 -97.4 147.0 10.3 -6.5 8.5 53 53 A R E -F 14 0B 0 -39,-1.0 -39,-2.7 -2,-0.4 2,-0.3 -0.965 13.9-153.8-117.6 138.8 12.3 -5.0 5.6 54 54 A T E +K 68 0C 16 14,-0.6 13,-1.3 -2,-0.4 14,-1.3 -0.853 61.8 11.1-115.6 151.8 13.1 -7.2 2.6 55 55 A D E S+ 0 0 82 -43,-0.4 12,-1.2 -2,-0.3 2,-0.3 0.951 77.9 178.2 52.0 65.2 15.9 -7.1 -0.0 56 56 A b E -K 66 0C 12 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.697 22.1-162.2 -99.3 149.5 18.1 -4.6 1.6 57 57 A Y E +K 65 0C 142 8,-2.7 8,-2.0 -2,-0.3 2,-0.4 -0.972 18.8 174.3-130.9 110.0 21.5 -3.3 0.4 58 58 A F E -K 64 0C 53 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.932 20.8-140.4-120.5 149.5 23.7 -1.6 3.0 59 59 A D > - 0 0 89 4,-2.5 3,-1.9 -2,-0.4 5,-0.0 -0.271 45.3 -83.5 -92.9-177.5 27.2 -0.3 2.9 60 60 A D T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.780 128.1 55.1 -63.4 -24.8 29.7 -0.6 5.7 61 61 A S T 3 S- 0 0 93 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.437 120.5-103.3 -87.6 -0.9 28.4 2.4 7.4 62 62 A G S < S+ 0 0 14 -3,-1.9 13,-2.6 1,-0.3 2,-0.4 0.714 80.9 125.3 86.5 23.5 24.8 1.1 7.6 63 63 A S B +L 74 0D 49 11,-0.2 -4,-2.5 12,-0.1 -1,-0.3 -0.889 28.4 83.1-116.8 145.0 23.4 3.2 4.7 64 64 A G E -K 58 0C 34 9,-2.6 2,-0.3 -2,-0.4 -6,-0.2 -0.855 66.2 -72.9 168.4-132.6 21.6 2.0 1.7 65 65 A I E -K 57 0C 88 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.3 -0.983 21.3-148.1-161.2 147.6 18.2 1.0 0.7 66 66 A b E -K 56 0C 5 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.932 20.9-133.3-121.2 151.6 15.6 -1.7 1.1 67 67 A K E S+ 0 0 93 -13,-1.3 2,-0.3 -12,-1.2 75,-0.2 0.781 95.5 24.1 -73.4 -29.2 13.0 -2.9 -1.4 68 68 A T E S+K 54 0C 2 -14,-1.3 -14,-0.6 1,-0.1 -1,-0.2 -0.996 127.5 8.7-131.9 145.9 10.2 -2.9 1.3 69 69 A G S S+ 0 0 0 13,-1.9 -2,-0.1 -2,-0.3 16,-0.1 0.614 73.1 177.9 72.8 16.8 10.0 -0.9 4.5 70 70 A D - 0 0 20 -4,-0.4 12,-2.1 11,-0.2 2,-0.6 -0.236 16.9-156.6 -58.7 138.7 13.0 1.4 4.0 71 71 A c > - 0 0 4 3,-0.5 3,-1.6 10,-0.2 7,-0.3 -0.785 68.8 -50.7-118.2 82.6 13.5 3.9 6.8 72 72 A G T 3 S- 0 0 72 -2,-0.6 3,-0.1 1,-0.3 -8,-0.1 0.780 100.1 -66.9 60.6 28.0 15.5 6.8 5.4 73 73 A G T 3 S+ 0 0 12 1,-0.2 -9,-2.6 -10,-0.1 2,-0.4 0.674 101.7 130.1 73.1 15.1 18.1 4.5 4.0 74 74 A L B < -L 63 0D 61 -3,-1.6 -3,-0.5 -11,-0.2 -1,-0.2 -0.841 57.0-150.0-108.0 146.4 19.4 3.4 7.3 75 75 A L S S+ 0 0 48 -13,-2.6 2,-1.1 -2,-0.4 -1,-0.2 0.929 99.5 53.4 -66.5 -47.0 20.1 -0.1 8.8 76 76 A R S S- 0 0 156 -14,-0.3 -1,-0.2 -60,-0.1 -48,-0.2 -0.730 95.0-141.3 -95.8 95.3 19.3 1.2 12.3 77 77 A c + 0 0 0 -2,-1.1 -53,-0.2 -50,-0.5 -60,-0.2 -0.317 34.2 168.0 -66.4 138.1 15.8 2.8 11.8 78 78 A K S S+ 0 0 130 -7,-0.3 2,-0.3 -55,-0.1 -59,-0.2 0.407 71.7 36.1-115.3 -12.9 14.9 6.0 13.6 79 79 A R S S- 0 0 149 -58,-0.2 -58,-0.1 -8,-0.1 -62,-0.1 -0.829 97.2 -75.8-132.5 172.2 11.7 6.6 11.6 80 80 A F - 0 0 78 -60,-0.4 2,-0.2 -2,-0.3 -8,-0.2 -0.236 52.2-104.6 -72.5 162.6 8.9 4.5 10.1 81 81 A G - 0 0 12 -10,-0.1 -11,-0.2 1,-0.1 -10,-0.2 -0.528 27.1-100.3 -96.0 156.1 9.3 2.5 6.9 82 82 A R - 0 0 164 -12,-2.1 -13,-1.9 -2,-0.2 -12,-0.2 -0.493 62.3 -74.6 -68.2 130.4 8.1 2.9 3.3 83 83 A P S S+ 0 0 26 0, 0.0 24,-0.2 0, 0.0 -13,-0.1 -0.245 101.9 69.8 -55.9 152.5 5.0 0.8 2.4 84 84 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.313 71.3 138.3 -90.6 136.0 4.4 -2.0 1.9 85 85 A T - 0 0 3 21,-2.1 21,-0.4 60,-0.1 2,-0.3 -0.918 49.1-138.8-144.4 118.1 4.9 -3.1 5.4 86 86 A T - 0 0 0 -2,-0.3 2,-0.5 -34,-0.1 -34,-0.5 -0.564 38.3-145.7 -65.9 133.2 3.0 -5.5 7.6 87 87 A L E - H 0 103B 11 16,-2.3 16,-2.2 -2,-0.3 2,-0.6 -0.918 23.7-160.4-119.1 127.9 3.0 -3.7 11.0 88 88 A A E -GH 50 102B 0 -38,-2.6 -38,-2.3 -2,-0.5 2,-0.4 -0.902 29.7-169.8 -91.4 119.9 3.1 -4.9 14.6 89 89 A E E +GH 49 101B 25 12,-2.9 12,-2.2 -2,-0.6 2,-0.3 -0.923 10.7 166.0-122.5 141.4 1.8 -1.9 16.6 90 90 A F E -GH 48 100B 5 -42,-2.3 -42,-2.4 -2,-0.4 2,-0.4 -1.000 26.0-165.6-156.0 148.7 1.8 -1.3 20.3 91 91 A S E - H 0 99B 31 8,-2.1 8,-2.9 -2,-0.3 2,-0.3 -0.995 25.7-152.4-133.1 134.3 1.4 1.1 23.2 92 92 A L E + 0 0 1 -47,-3.0 6,-0.2 -2,-0.4 103,-0.1 -0.810 63.2 9.5-113.0 147.2 2.6 0.1 26.6 93 93 A N E S+ 0 0 51 -2,-0.3 2,-0.8 1,-0.2 5,-0.2 0.876 72.5 160.3 56.7 47.5 1.5 1.0 30.1 94 94 A Q E > S- H 0 97B 55 3,-3.1 3,-1.7 -3,-0.3 -1,-0.2 -0.872 79.2 -29.1-103.2 104.4 -1.6 2.9 29.1 95 95 A Y T 3 S- 0 0 229 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.878 127.7 -46.9 51.9 44.9 -3.9 3.2 32.1 96 96 A G T 3 S+ 0 0 56 1,-0.2 99,-1.5 -3,-0.1 2,-0.3 0.424 124.3 86.8 84.2 -0.4 -2.5 -0.1 33.4 97 97 A K E < -HI 94 194B 88 -3,-1.7 -3,-3.1 97,-0.2 2,-0.3 -0.846 65.1-134.6-127.9 163.4 -2.7 -2.0 30.2 98 98 A D E - 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