==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 14-JUN-12 4AXR . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR F.CIPRIANI,M.ROWER,C.LANDRET,U.ZANDER,F.FELISAZ,J.A.MARQUEZ . 206 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 57.8 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 27.7 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 . 14 6.8 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 . 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 28 0, 0.0 40,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.6 21.6 -12.0 -10.0 2 2 A T E -A 40 0A 48 38,-0.2 197,-2.5 195,-0.1 2,-0.5 -0.813 360.0-170.3-101.4 140.5 19.6 -13.5 -12.9 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-2.8 -2,-0.4 2,-0.6 -0.983 9.7-156.3-125.0 114.7 16.2 -15.1 -12.5 4 4 A E E -Ab 38 200A 53 195,-2.6 197,-2.5 -2,-0.5 2,-0.6 -0.833 11.3-158.9 -89.3 119.5 14.8 -16.9 -15.6 5 5 A I E -Ab 37 201A 0 32,-3.0 32,-2.5 -2,-0.6 2,-0.5 -0.942 11.2-171.8-105.5 119.0 11.0 -16.9 -15.2 6 6 A V E -Ab 36 202A 15 195,-2.9 197,-2.9 -2,-0.6 2,-0.9 -0.951 17.4-150.9-119.9 126.5 9.4 -19.6 -17.3 7 7 A N E + b 0 203A 0 28,-2.7 27,-3.4 -2,-0.5 28,-0.1 -0.854 24.8 163.4 -98.0 100.9 5.7 -20.2 -17.9 8 8 A R + 0 0 139 195,-2.1 196,-0.2 -2,-0.9 -1,-0.1 0.392 43.2 113.2 -92.2 -2.1 5.1 -23.9 -18.5 9 9 A a S S- 0 0 2 2,-0.2 25,-0.2 1,-0.1 4,-0.1 -0.366 76.1-126.8 -61.9 158.9 1.3 -23.4 -17.9 10 10 A S S S+ 0 0 112 23,-0.1 2,-0.3 2,-0.1 23,-0.2 0.575 93.5 62.6 -80.6 -5.1 -1.1 -24.0 -20.8 11 11 A Y S S- 0 0 93 21,-0.1 -2,-0.2 1,-0.0 2,-0.1 -0.802 95.5 -96.3-116.9 154.9 -2.5 -20.5 -20.0 12 12 A T - 0 0 44 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.412 38.9-171.1 -65.1 139.9 -0.9 -17.0 -20.1 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.5 41,-0.1 2,-0.7 -0.923 21.9-135.7-124.1 162.0 0.4 -15.6 -16.9 14 14 A W E -EF 30 53B 31 39,-2.4 39,-1.1 -2,-0.3 16,-0.2 -0.941 27.6-144.7-115.2 102.2 1.7 -12.1 -16.1 15 15 A A E -EF 29 52B 0 14,-1.8 14,-1.6 -2,-0.7 2,-0.3 -0.358 15.7-164.5 -62.9 152.1 4.8 -12.5 -14.0 16 16 A A E -EF 28 51B 0 35,-2.3 35,-1.8 12,-0.2 2,-0.3 -0.982 11.0-174.4-140.0 148.9 5.5 -10.0 -11.3 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.2 -2,-0.3 2,-0.3 -0.951 21.2 144.5-149.0 120.7 8.7 -9.2 -9.3 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.5 -2,-0.3 5,-0.2 -0.983 46.2-146.9-151.2 155.6 8.9 -6.7 -6.4 19 19 A K - 0 0 79 3,-2.5 4,-0.1 -2,-0.3 2,-0.1 0.141 63.3-100.5-111.9 19.5 10.5 -6.1 -3.1 20 20 A G S S+ 0 0 17 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.143 117.3 43.1 106.1 -43.0 7.4 -4.4 -1.7 21 21 A D S S+ 0 0 106 1,-0.2 2,-0.3 58,-0.1 58,-0.2 0.253 122.1 23.8-117.1 5.4 8.4 -0.8 -2.0 22 22 A A S S- 0 0 34 56,-0.2 -3,-2.5 5,-0.0 -2,-0.5 -0.965 80.8-100.5-165.6 151.2 9.9 -1.0 -5.5 23 23 A A E -E 18 0B 35 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.438 28.4-132.5 -62.8 151.7 9.9 -3.1 -8.7 24 24 A L E > S- 0 0 9 -7,-2.2 3,-2.2 53,-0.3 -7,-0.1 -0.957 77.2 -33.9 -99.4 126.3 12.6 -5.7 -9.4 25 25 A D E 3 S- 0 0 76 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.340 135.3 -18.2 58.3-139.6 13.8 -5.1 -13.0 26 26 A A E 3 S- 0 0 44 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.647 89.5-130.6 -73.3 -9.9 10.7 -4.0 -15.0 27 27 A G E < S+ 0 0 0 -3,-2.2 -10,-2.2 49,-0.2 50,-0.6 0.050 72.6 12.2 84.6 -26.7 8.4 -5.4 -12.2 28 28 A G E +E 16 0B 4 -12,-0.2 2,-0.3 48,-0.2 -12,-0.2 -0.945 55.2 174.4-173.3 158.6 6.1 -7.4 -14.6 29 29 A R E -E 15 0B 85 -14,-1.6 -14,-1.8 -2,-0.3 2,-0.2 -0.946 38.0 -98.0-164.2 151.9 5.6 -8.8 -18.0 30 30 A Q E -E 14 0B 83 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.3 -0.578 32.5-167.3 -70.0 136.6 3.2 -11.0 -20.0 31 31 A L E -E 13 0B 0 -18,-3.5 -18,-2.3 -2,-0.2 3,-0.1 -0.942 6.2-157.4-125.9 103.7 4.3 -14.7 -20.4 32 32 A N > - 0 0 61 -2,-0.5 3,-2.4 -20,-0.2 -25,-0.3 -0.251 50.5 -62.2 -68.5 165.9 2.4 -16.7 -22.9 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.365 128.1 11.2 -52.3 124.5 2.4 -20.5 -22.5 34 34 A G T 3 S+ 0 0 53 -27,-3.4 -1,-0.3 1,-0.3 -26,-0.1 0.179 96.1 133.0 93.1 -14.4 6.1 -21.6 -23.0 35 35 A E < - 0 0 72 -3,-2.4 -28,-2.7 -28,-0.1 2,-0.3 -0.381 40.6-153.5 -75.5 153.5 7.7 -18.1 -22.8 36 36 A S E -A 6 0A 56 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.965 7.3-170.3-125.2 137.5 10.7 -17.3 -20.7 37 37 A W E -A 5 0A 26 -32,-2.5 -32,-3.0 -2,-0.3 2,-0.5 -0.996 10.2-153.4-130.6 122.8 11.6 -13.8 -19.3 38 38 A T E -A 4 0A 67 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.852 15.8-173.2-103.3 123.2 15.0 -13.2 -17.7 39 39 A I E -A 3 0A 0 -36,-2.8 -36,-2.4 -2,-0.5 2,-0.5 -0.831 20.0-133.5-111.6 157.0 15.3 -10.5 -15.1 40 40 A N E -A 2 0A 96 -2,-0.3 2,-0.4 -38,-0.2 -15,-0.2 -0.955 18.0-165.8-109.5 128.4 18.2 -9.0 -13.2 41 41 A V - 0 0 3 -40,-3.1 3,-0.1 -2,-0.5 4,-0.1 -0.952 28.4-112.3-113.4 127.6 17.8 -8.5 -9.5 42 42 A E > - 0 0 157 -2,-0.4 3,-1.6 1,-0.1 50,-0.2 -0.276 36.8-106.0 -58.8 137.4 20.3 -6.2 -7.6 43 43 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.281 107.4 36.2 -57.1 148.6 22.7 -8.1 -5.3 44 44 A G T 3 S+ 0 0 35 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.457 77.9 157.0 83.1 1.7 21.7 -7.5 -1.6 45 45 A T < - 0 0 11 -3,-1.6 47,-3.3 46,-0.1 2,-0.4 -0.453 25.0-161.6 -61.5 123.8 17.9 -7.5 -2.4 46 46 A N + 0 0 98 -2,-0.3 45,-0.2 45,-0.3 -1,-0.0 -0.906 65.2 8.0-111.5 129.2 16.1 -8.4 0.8 47 47 A G S S+ 0 0 26 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.823 81.2 166.3 72.7 37.9 12.5 -9.6 0.8 48 48 A G E - G 0 90B 1 42,-2.4 42,-2.4 -3,-0.3 2,-0.4 -0.471 13.6-168.3 -79.7 152.1 12.1 -10.0 -2.9 49 49 A K E -FG 18 89B 39 -31,-2.5 -31,-2.2 40,-0.2 2,-0.4 -0.999 12.5-165.9-139.6 145.0 9.1 -11.9 -4.3 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.6 -2,-0.4 2,-0.3 -0.974 22.0 158.7-123.6 139.2 8.2 -13.3 -7.7 51 51 A W E -F 16 0B 0 -35,-1.8 -35,-2.3 -2,-0.4 2,-0.3 -0.961 35.6-112.3-147.3 169.7 4.6 -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 -0.804 20.9-154.8-102.0 148.3 2.2 -15.1 -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 13.5-153.3-115.6 143.5 -0.9 -13.1 -12.0 54 54 A T B +K 68 0C 18 14,-0.8 13,-1.8 -2,-0.4 14,-1.1 -0.837 62.2 13.2-120.1 151.5 -3.9 -14.7 -13.9 55 55 A D S S+ 0 0 86 -43,-0.4 12,-0.4 -2,-0.3 2,-0.3 0.912 81.2 172.3 56.5 59.3 -6.7 -13.3 -16.1 56 56 A b - 0 0 5 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.664 24.8-166.3-104.3 151.1 -5.3 -9.9 -16.6 57 57 A Y E -L 65 0D 170 8,-2.5 8,-2.1 -2,-0.3 2,-0.4 -0.991 11.8-179.9-133.1 125.3 -6.3 -7.0 -18.8 58 58 A F E -L 64 0D 49 -2,-0.4 6,-0.2 6,-0.2 16,-0.1 -0.987 17.4-141.5-126.4 138.5 -4.0 -4.0 -19.4 59 59 A D > - 0 0 90 4,-2.8 3,-1.8 -2,-0.4 5,-0.0 -0.137 46.3 -82.7 -79.3-176.3 -4.6 -0.9 -21.5 60 60 A D T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.653 129.8 54.6 -63.1 -22.6 -1.8 0.8 -23.7 61 61 A S T 3 S- 0 0 74 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.473 120.8-105.2 -85.7 -3.9 -0.4 2.6 -20.6 62 62 A G S < S+ 0 0 6 -3,-1.8 13,-2.6 1,-0.3 2,-0.4 0.729 78.7 130.0 84.1 21.5 -0.0 -0.6 -18.6 63 63 A S B +M 74 0E 53 11,-0.2 -4,-2.8 12,-0.1 -1,-0.3 -0.916 28.0 89.5-110.0 139.9 -3.0 -0.0 -16.3 64 64 A G E -L 58 0D 33 9,-2.8 2,-0.3 -2,-0.4 -6,-0.2 -0.805 61.8 -68.6 179.2-140.0 -5.6 -2.6 -15.7 65 65 A I E -L 57 0D 103 -8,-2.1 -8,-2.5 -2,-0.2 2,-0.3 -0.991 20.9-161.7-153.0 146.4 -6.7 -5.5 -13.5 66 66 A b - 0 0 8 -2,-0.3 4,-0.3 -10,-0.3 -10,-0.2 -0.976 20.6-139.9-123.4 149.6 -5.8 -9.1 -12.7 67 67 A K S S+ 0 0 118 -13,-1.8 2,-0.4 -12,-0.4 -12,-0.2 0.796 93.6 27.0 -76.0 -32.2 -8.0 -11.8 -11.0 68 68 A T B S+K 54 0C 2 -14,-1.1 -14,-0.8 1,-0.1 -1,-0.2 -0.995 128.7 7.8-127.3 142.2 -5.1 -13.1 -8.9 69 69 A G S S+ 0 0 0 13,-2.2 -2,-0.1 -2,-0.4 -1,-0.1 0.574 73.6 175.3 75.2 12.5 -2.0 -11.2 -7.8 70 70 A D - 0 0 29 -4,-0.3 12,-2.2 12,-0.2 2,-0.6 -0.261 17.9-157.7 -55.1 132.7 -3.0 -7.7 -8.9 71 71 A c > - 0 0 4 3,-0.4 3,-1.4 10,-0.2 7,-0.3 -0.759 69.3 -52.6-113.1 76.0 -0.5 -5.1 -7.8 72 72 A G T 3 S- 0 0 73 -2,-0.6 -8,-0.1 1,-0.3 -2,-0.1 0.786 99.7 -67.4 64.6 25.1 -2.4 -1.8 -7.8 73 73 A G T 3 S+ 0 0 10 1,-0.2 -9,-2.8 -10,-0.1 2,-0.4 0.640 99.2 134.0 70.8 19.4 -3.6 -2.4 -11.4 74 74 A L B < -M 63 0E 51 -3,-1.4 -3,-0.4 -11,-0.2 -1,-0.2 -0.801 53.8-152.3-104.3 138.1 -0.1 -2.1 -13.0 75 75 A L S S+ 0 0 39 -13,-2.6 2,-1.2 -2,-0.4 -1,-0.2 0.937 99.7 53.6 -58.4 -47.8 1.5 -4.3 -15.6 76 76 A R S S- 0 0 123 -14,-0.3 -1,-0.2 -3,-0.1 -48,-0.2 -0.727 95.7-141.8 -95.5 90.7 4.9 -3.3 -14.1 77 77 A c + 0 0 0 -2,-1.2 -53,-0.3 -50,-0.6 -60,-0.2 -0.341 33.5 168.7 -63.0 137.1 4.5 -4.1 -10.4 78 78 A K S S+ 0 0 130 -7,-0.3 -59,-0.2 -55,-0.1 2,-0.2 0.490 71.4 36.8-113.0 -17.9 6.0 -1.7 -7.8 79 79 A R S S- 0 0 155 -58,-0.2 -58,-0.1 -8,-0.2 -62,-0.1 -0.768 97.5 -76.5-132.3 168.9 4.2 -3.4 -4.8 80 80 A F - 0 0 82 -60,-0.4 2,-0.2 -2,-0.2 -8,-0.2 -0.246 54.2-105.6 -71.0 158.7 3.2 -6.9 -3.7 81 81 A G - 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