==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 04-JAN-12 3VCG . COMPND 2 MOLECULE: THAUMATIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR L.BELMONTE,E.PECHKOVA,D.SCUDIERI,C.NICOLINI . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 56.5 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 . 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 . 13 6.3 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 . 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 . 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 28 0, 0.0 40,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.8 7.2 -16.9 -10.2 2 2 A T E -A 40 0A 50 38,-0.2 197,-2.6 195,-0.1 2,-0.5 -0.779 360.0-168.3-100.7 139.8 9.2 -15.6 -13.1 3 3 A F E -Ab 39 199A 0 36,-2.1 36,-2.9 -2,-0.4 2,-0.6 -0.997 9.4-154.3-119.9 123.4 12.5 -13.9 -12.7 4 4 A E E -Ab 38 200A 57 195,-3.2 197,-2.2 -2,-0.5 2,-0.5 -0.888 11.2-159.5 -91.7 124.3 13.9 -12.1 -15.7 5 5 A I E -Ab 37 201A 0 32,-2.9 32,-2.0 -2,-0.6 2,-0.4 -0.920 10.6-170.2-107.0 117.6 17.8 -12.1 -15.4 6 6 A V E -Ab 36 202A 16 195,-2.9 197,-2.6 -2,-0.5 2,-0.8 -0.901 16.0-150.1-116.7 127.8 19.4 -9.4 -17.5 7 7 A N E + b 0 203A 0 28,-3.1 27,-2.8 -2,-0.4 197,-0.1 -0.871 26.0 161.2 -94.5 105.8 23.1 -8.9 -18.2 8 8 A R + 0 0 141 195,-2.0 196,-0.1 -2,-0.8 -1,-0.1 0.349 41.5 110.2-103.2 1.7 23.9 -5.2 -18.8 9 9 A a S S- 0 0 3 2,-0.2 25,-0.2 194,-0.2 4,-0.1 -0.371 77.2-122.8 -66.9 160.6 27.7 -5.6 -18.1 10 10 A S S S+ 0 0 112 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.554 93.6 63.0 -79.9 -7.0 30.0 -5.2 -21.1 11 11 A Y S S- 0 0 99 21,-0.1 2,-0.2 1,-0.0 -2,-0.2 -0.798 95.2 -95.7-115.4 159.6 31.4 -8.7 -20.4 12 12 A T - 0 0 41 -2,-0.3 43,-0.5 20,-0.1 2,-0.3 -0.489 40.4-168.8 -66.3 137.0 29.8 -12.1 -20.6 13 13 A V E -E 31 0B 0 18,-2.4 18,-3.2 -2,-0.2 2,-0.6 -0.890 20.9-136.1-118.2 163.6 28.5 -13.5 -17.3 14 14 A W E -EF 30 53B 35 39,-2.2 39,-1.8 -2,-0.3 16,-0.2 -0.917 26.5-146.9-115.8 103.4 27.3 -17.0 -16.4 15 15 A A E -EF 29 52B 0 14,-1.6 14,-1.7 -2,-0.6 2,-0.4 -0.293 15.1-166.7 -67.1 147.7 24.1 -16.6 -14.3 16 16 A A E -EF 28 51B 0 35,-2.4 35,-2.1 12,-0.2 2,-0.3 -0.988 9.8-175.3-140.2 144.7 23.5 -19.1 -11.6 17 17 A A E + F 0 50B 0 10,-2.4 7,-1.6 -2,-0.4 2,-0.3 -0.969 18.6 144.7-144.9 129.7 20.3 -19.9 -9.5 18 18 A S E -EF 23 49B 0 31,-2.5 31,-2.4 -2,-0.3 5,-0.2 -0.976 45.0-142.2-157.6 159.7 20.0 -22.4 -6.7 19 19 A K - 0 0 78 3,-2.8 4,-0.1 59,-0.3 60,-0.1 0.190 63.4 -97.2-117.7 18.5 18.4 -23.1 -3.4 20 20 A G S S+ 0 0 19 2,-0.5 60,-0.4 58,-0.2 3,-0.1 -0.080 117.3 35.7 106.6 -36.1 21.4 -24.8 -1.8 21 21 A D S S+ 0 0 103 1,-0.3 2,-0.3 58,-0.1 58,-0.2 0.232 123.5 29.3-130.3 4.8 20.5 -28.4 -2.4 22 22 A A S S- 0 0 37 56,-0.3 -3,-2.8 5,-0.0 -2,-0.5 -0.977 80.6-104.8-156.9 156.3 18.8 -28.1 -5.8 23 23 A A E -E 18 0B 38 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.520 26.8-130.2 -74.7 151.1 18.9 -26.0 -8.9 24 24 A L E > S- 0 0 11 -7,-1.6 3,-2.0 53,-0.2 -7,-0.1 -0.939 75.9 -35.1 -97.6 128.9 16.2 -23.5 -9.6 25 25 A D E 3 S- 0 0 73 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.264 134.2 -17.4 50.5-141.0 14.9 -24.0 -13.2 26 26 A A E 3 S- 0 0 22 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.586 88.4-135.8 -67.7 -7.7 18.0 -25.0 -15.4 27 27 A G E < S+ 0 0 0 -3,-2.0 -10,-2.4 49,-0.1 50,-0.6 0.121 70.2 22.5 82.8 -23.3 20.3 -23.7 -12.6 28 28 A G E +E 16 0B 4 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.928 55.2 169.0-175.3 147.0 22.7 -21.8 -14.9 29 29 A R E -E 15 0B 81 -14,-1.7 -14,-1.6 -2,-0.3 2,-0.3 -0.952 36.1-105.7-165.3 145.6 23.2 -20.2 -18.3 30 30 A Q E -E 14 0B 85 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.582 31.7-168.2 -71.1 134.8 25.7 -18.0 -20.3 31 31 A L E -E 13 0B 0 -18,-3.2 -18,-2.4 -2,-0.3 3,-0.1 -0.938 6.1-155.1-129.8 109.5 24.5 -14.4 -20.8 32 32 A N > - 0 0 65 -2,-0.4 3,-2.6 -20,-0.2 -25,-0.2 -0.309 50.6 -62.5 -73.8 163.6 26.4 -12.2 -23.2 33 33 A S T 3 S+ 0 0 70 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.221 128.6 12.7 -46.1 115.3 26.3 -8.4 -22.8 34 34 A G T 3 S+ 0 0 54 -27,-2.8 -1,-0.3 1,-0.3 -26,-0.1 0.181 96.0 129.5 98.1 -20.9 22.7 -7.5 -23.3 35 35 A E < - 0 0 73 -3,-2.6 -28,-3.1 -29,-0.1 2,-0.3 -0.377 40.3-154.6 -71.4 155.5 21.0 -10.9 -23.0 36 36 A S E -A 6 0A 50 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.919 4.6-164.5-125.0 150.2 18.1 -11.9 -20.8 37 37 A W E -A 5 0A 23 -32,-2.0 -32,-2.9 -2,-0.3 2,-0.5 -0.991 9.4-154.4-138.4 115.2 17.2 -15.3 -19.4 38 38 A T E -A 4 0A 77 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.834 17.8-176.2 -93.1 128.3 13.7 -15.8 -18.0 39 39 A I E -A 3 0A 0 -36,-2.9 -36,-2.1 -2,-0.5 2,-0.5 -0.894 21.1-134.9-121.8 158.9 13.4 -18.5 -15.4 40 40 A N E -A 2 0A 95 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.2 -0.952 18.5-166.1-113.8 127.2 10.5 -20.1 -13.5 41 41 A V - 0 0 4 -40,-2.6 3,-0.1 -2,-0.5 4,-0.1 -0.942 27.8-109.3-116.3 129.0 10.9 -20.7 -9.8 42 42 A E > - 0 0 159 -2,-0.4 3,-1.3 1,-0.1 50,-0.2 -0.243 38.0-108.5 -53.8 134.3 8.5 -22.9 -7.8 43 43 A P T 3 S+ 0 0 78 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.314 106.0 38.4 -57.6 152.3 6.2 -21.0 -5.3 44 44 A G T 3 S+ 0 0 39 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.446 76.0 157.2 79.3 -0.9 7.3 -21.6 -1.7 45 45 A T < - 0 0 8 -3,-1.3 47,-3.2 -4,-0.1 2,-0.5 -0.444 25.1-162.3 -56.8 117.3 11.0 -21.6 -2.6 46 46 A N + 0 0 102 -2,-0.3 45,-0.2 45,-0.2 -1,-0.0 -0.901 65.5 6.5-106.7 129.7 12.7 -20.7 0.7 47 47 A G S S+ 0 0 29 -2,-0.5 44,-0.2 1,-0.2 -1,-0.2 0.853 81.5 166.5 70.3 37.5 16.3 -19.5 0.6 48 48 A G E - G 0 90B 0 42,-2.1 42,-1.9 -3,-0.3 2,-0.4 -0.462 13.6-166.5 -76.4 156.1 16.8 -19.2 -3.1 49 49 A K E -FG 18 89B 41 -31,-2.4 -31,-2.5 40,-0.2 2,-0.4 -0.999 13.1-167.4-143.7 148.6 19.8 -17.3 -4.5 50 50 A I E +FG 17 88B 0 38,-2.0 38,-2.5 -2,-0.4 2,-0.3 -0.994 21.5 154.8-130.1 138.7 20.8 -15.9 -7.8 51 51 A W E -F 16 0B 1 -35,-2.1 -35,-2.4 -2,-0.4 2,-0.4 -0.930 35.6-108.1-151.7 175.3 24.3 -14.7 -8.6 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.898 18.8-153.5-112.3 144.0 26.7 -14.1 -11.5 53 53 A R E -F 14 0B 0 -39,-1.8 -39,-2.2 -2,-0.4 2,-0.3 -0.886 14.0-151.3-113.4 142.4 29.9 -16.0 -12.3 54 54 A T E +K 68 0C 17 14,-0.9 13,-1.7 -2,-0.4 14,-0.9 -0.883 62.5 7.0-119.6 149.0 32.8 -14.5 -14.2 55 55 A D E S+ 0 0 93 -43,-0.5 12,-0.7 -2,-0.3 2,-0.2 0.934 80.6 169.4 49.9 66.9 35.5 -15.8 -16.5 56 56 A b E -K 66 0C 2 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.654 26.2-162.6-107.2 156.8 34.3 -19.4 -16.9 57 57 A Y E +K 65 0C 174 8,-1.9 8,-2.1 -2,-0.2 2,-0.4 -0.972 13.5 176.4-138.1 125.3 35.2 -22.2 -19.2 58 58 A F E -K 64 0C 45 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.970 18.3-140.5-124.7 145.1 33.0 -25.2 -19.7 59 59 A D > - 0 0 88 4,-2.1 3,-2.2 -2,-0.4 4,-0.0 -0.335 44.7 -80.1 -86.5-179.4 33.4 -28.2 -22.0 60 60 A D T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.756 130.8 53.7 -54.4 -35.4 30.7 -29.9 -24.1 61 61 A S T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.487 119.7-111.1 -78.5 -1.2 29.4 -31.9 -21.1 62 62 A G S < S+ 0 0 16 -3,-2.2 13,-2.0 1,-0.3 2,-0.4 0.793 75.1 128.0 76.1 30.7 29.0 -28.6 -19.2 63 63 A S B +L 74 0D 54 11,-0.2 -4,-2.1 12,-0.1 -1,-0.3 -0.940 27.7 92.7-116.9 144.1 31.8 -29.1 -16.6 64 64 A G E -K 58 0C 33 9,-3.5 2,-0.3 -2,-0.4 -6,-0.2 -0.803 60.8 -66.3 175.2-139.1 34.6 -26.6 -15.9 65 65 A I E -K 57 0C 109 -8,-2.1 -8,-1.9 -2,-0.2 2,-0.3 -0.997 22.0-157.5-155.5 150.3 35.6 -23.7 -13.8 66 66 A b E -K 56 0C 10 -2,-0.3 4,-0.3 -10,-0.2 -10,-0.2 -0.964 21.4-136.5-130.5 143.4 34.8 -20.1 -12.9 67 67 A K E S+ 0 0 123 -13,-1.7 2,-0.3 -12,-0.7 -12,-0.2 0.792 93.4 18.0 -70.2 -28.7 36.9 -17.4 -11.4 68 68 A T E S+K 54 0C 4 -14,-0.9 -14,-0.9 1,-0.1 -1,-0.2 -0.994 126.5 15.9-141.9 140.7 34.1 -16.2 -9.1 69 69 A G S S+ 0 0 0 13,-1.9 -2,-0.1 -2,-0.3 -16,-0.1 0.538 72.7 174.0 81.9 11.0 31.0 -17.9 -8.0 70 70 A D - 0 0 26 -4,-0.3 12,-2.5 12,-0.2 2,-0.7 -0.218 19.8-160.0 -58.2 132.4 31.9 -21.4 -9.0 71 71 A c > - 0 0 5 3,-0.4 3,-1.4 10,-0.2 7,-0.2 -0.792 69.0 -55.7-115.2 81.0 29.4 -23.9 -7.9 72 72 A G T 3 S- 0 0 77 -2,-0.7 -2,-0.1 1,-0.2 9,-0.0 0.697 97.1 -63.1 58.3 25.5 31.4 -27.2 -8.0 73 73 A G T 3 S+ 0 0 11 1,-0.2 -9,-3.5 -10,-0.1 2,-0.3 0.517 100.4 126.6 83.8 6.4 32.5 -27.0 -11.7 74 74 A L B < -L 63 0D 53 -3,-1.4 -3,-0.4 -11,-0.2 -1,-0.2 -0.789 54.1-153.2-105.4 139.9 29.0 -27.1 -13.3 75 75 A L S S+ 0 0 49 -13,-2.0 2,-1.2 -2,-0.3 -1,-0.1 0.933 98.7 54.0 -63.0 -49.4 27.3 -24.9 -15.8 76 76 A R S S- 0 0 155 -14,-0.4 -1,-0.2 -60,-0.1 -48,-0.2 -0.722 95.9-144.6 -94.9 87.2 24.0 -25.9 -14.4 77 77 A c + 0 0 0 -2,-1.2 -53,-0.2 -50,-0.6 -60,-0.2 -0.212 33.8 167.5 -60.1 140.2 24.4 -25.2 -10.7 78 78 A K + 0 0 123 -7,-0.2 -56,-0.3 -55,-0.1 -59,-0.3 0.509 68.5 43.4-119.3 -22.8 22.9 -27.2 -7.8 79 79 A R S S- 0 0 161 -58,-0.2 -58,-0.1 -8,-0.1 -62,-0.1 -0.734 96.6 -81.3-114.6 173.4 24.8 -25.8 -4.8 80 80 A F - 0 0 84 -60,-0.4 2,-0.2 -2,-0.2 -8,-0.1 -0.221 54.6-105.1 -66.9 155.7 25.7 -22.3 -3.7 81 81 A G - 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