==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIFUNGAL PROTEIN 14-MAR-05 1Z3Q . COMPND 2 MOLECULE: THAUMATIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUSA ACUMINATA; . AUTHOR P.LEONE,L.MENU-BOUAOUICHE,W.J.PEUMANS,A.BARRE,F.PAYAN, . 200 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 29.0 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 . 3 1.5 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-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 . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 8.5 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 . 2 1 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 25 0, 0.0 34,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 136.8 26.2 8.6 12.2 2 2 A T E -A 34 0A 55 189,-0.2 192,-2.6 32,-0.2 2,-0.5 -0.743 360.0-174.7 -90.0 127.4 24.5 9.6 15.5 3 3 A F E -Ab 33 194A 1 30,-2.8 30,-2.9 -2,-0.5 2,-0.5 -0.989 4.0-167.6-119.7 119.8 22.2 12.6 15.6 4 4 A E E -Ab 32 195A 69 190,-2.2 192,-2.8 -2,-0.5 2,-0.5 -0.925 3.8-162.1-106.6 128.1 20.8 13.6 18.9 5 5 A I E -Ab 31 196A 0 26,-3.3 26,-2.0 -2,-0.5 2,-0.4 -0.955 10.9-174.4-116.7 124.1 17.9 16.2 18.9 6 6 A V E -Ab 30 197A 11 190,-2.8 192,-2.9 -2,-0.5 2,-0.7 -0.963 17.8-150.5-129.1 128.1 17.2 18.0 22.1 7 7 A N E + b 0 198A 0 22,-2.5 21,-2.9 -2,-0.4 22,-0.2 -0.877 24.4 161.9 -99.3 109.5 14.5 20.5 23.1 8 8 A R + 0 0 128 190,-2.2 191,-0.2 -2,-0.7 -1,-0.1 0.413 44.1 112.0-101.1 -0.9 15.6 23.0 25.7 9 9 A a S S- 0 0 3 189,-0.3 19,-0.2 2,-0.1 4,-0.1 -0.374 73.8-130.3 -65.4 148.8 12.7 25.4 24.8 10 10 A S S S+ 0 0 95 17,-0.1 17,-0.4 2,-0.1 2,-0.2 0.840 92.6 69.1 -68.0 -30.1 10.0 25.8 27.5 11 11 A Y S S- 0 0 99 15,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.542 99.6 -94.1 -88.0 154.6 7.4 25.1 24.8 12 12 A T - 0 0 38 -2,-0.2 2,-0.4 14,-0.1 37,-0.4 -0.406 36.6-165.7 -68.5 140.1 6.9 21.8 23.0 13 13 A V E -E 25 0B 0 12,-2.4 12,-2.3 35,-0.1 2,-1.0 -1.000 14.4-145.0-127.6 127.8 8.8 21.2 19.8 14 14 A W E -EF 24 47B 31 33,-2.7 33,-1.2 -2,-0.4 10,-0.3 -0.833 25.8-143.6 -92.9 99.3 7.8 18.4 17.5 15 15 A A E -EF 23 46B 0 8,-1.9 8,-1.8 -2,-1.0 2,-0.3 -0.337 16.8-166.5 -62.1 148.7 11.2 17.4 16.1 16 16 A A E -EF 22 45B 0 29,-2.7 29,-2.3 6,-0.2 2,-0.4 -0.989 5.7-176.3-138.3 145.4 11.3 16.3 12.4 17 17 A A E > -EF 21 44B 0 4,-2.4 4,-2.9 -2,-0.3 27,-0.2 -0.988 23.4-132.7-148.2 134.0 14.1 14.5 10.5 18 18 A V E 4 S+ F 0 43B 35 25,-3.1 25,-2.2 -2,-0.4 2,-0.1 -0.964 108.6 22.2-120.1 104.5 14.7 13.4 7.0 19 19 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 24,-0.1 0.662 126.8 46.4 -84.9 163.4 15.6 10.6 7.4 20 20 A G T 4 S- 0 0 45 51,-0.2 2,-0.5 -2,-0.1 -2,-0.2 -0.172 85.9-128.4 143.0 -41.6 14.3 9.7 10.9 21 21 A G E < -E 17 0B 4 -4,-2.9 -4,-2.4 50,-0.1 50,-0.4 -0.898 41.5 -66.0 109.7-122.8 10.6 10.7 11.0 22 22 A G E -E 16 0B 13 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.975 35.7-172.4-169.5 159.7 9.4 12.8 13.9 23 23 A R E -E 15 0B 128 -8,-1.8 -8,-1.9 -2,-0.3 2,-0.4 -0.977 31.2-111.2-157.0 138.3 8.7 13.0 17.6 24 24 A Q E -E 14 0B 87 -2,-0.3 2,-0.5 -10,-0.3 -10,-0.2 -0.598 32.5-167.7 -68.5 126.3 7.1 15.2 20.2 25 25 A L E -E 13 0B 1 -12,-2.3 -12,-2.4 -2,-0.4 3,-0.1 -0.919 1.7-165.6-120.0 102.8 9.7 16.7 22.5 26 26 A N > - 0 0 64 -2,-0.5 3,-2.5 -14,-0.2 -19,-0.3 -0.316 55.0 -56.1 -68.1 167.4 8.5 18.4 25.6 27 27 A Q T 3 S+ 0 0 126 -17,-0.4 -19,-0.2 1,-0.3 -1,-0.2 -0.240 130.7 14.2 -49.0 129.3 11.0 20.7 27.4 28 28 A G T 3 S+ 0 0 59 -21,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.216 96.6 128.4 88.9 -11.1 14.1 18.6 28.3 29 29 A Q < - 0 0 89 -3,-2.5 -22,-2.5 -22,-0.2 -1,-0.3 -0.459 37.5-165.4 -81.9 149.7 13.2 15.7 26.0 30 30 A S E -A 6 0A 59 -24,-0.2 2,-0.4 -2,-0.1 -24,-0.2 -0.873 11.7-158.4-131.4 162.1 15.7 14.2 23.5 31 31 A W E -A 5 0A 16 -26,-2.0 -26,-3.3 -2,-0.3 2,-0.5 -0.973 9.1-161.0-144.0 124.1 15.5 11.9 20.5 32 32 A T E +A 4 0A 81 -2,-0.4 2,-0.3 -28,-0.2 -28,-0.2 -0.948 12.8 178.4-115.0 126.1 18.6 10.0 19.1 33 33 A I E -A 3 0A 20 -30,-2.9 -30,-2.8 -2,-0.5 2,-0.6 -0.877 27.1-132.9-124.5 155.7 18.7 8.6 15.7 34 34 A N E -A 2 0A 122 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.936 24.1-163.8-110.3 109.6 21.2 6.7 13.6 35 35 A V - 0 0 2 -34,-2.8 3,-0.1 -2,-0.6 4,-0.0 -0.790 25.2-110.1 -96.0 131.9 21.5 8.2 10.1 36 36 A N > - 0 0 121 -2,-0.4 3,-1.6 1,-0.1 50,-0.2 -0.304 33.6-102.1 -63.2 140.0 23.2 6.1 7.4 37 37 A A T 3 S+ 0 0 75 1,-0.2 -1,-0.1 154,-0.0 50,-0.1 -0.257 108.0 32.2 -52.2 142.4 26.6 7.0 6.0 38 38 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.2 -3,-0.1 2,-0.1 0.404 80.5 155.1 86.6 0.1 26.3 8.7 2.6 39 39 A T < - 0 0 27 -3,-1.6 47,-2.9 46,-0.1 2,-0.3 -0.366 19.9-172.3 -63.9 128.8 23.0 10.3 3.3 40 40 A T + 0 0 88 45,-0.2 45,-0.2 1,-0.2 3,-0.1 -0.793 63.3 35.5-116.7 164.7 22.3 13.5 1.2 41 41 A G S S+ 0 0 37 -2,-0.3 44,-0.2 1,-0.2 -1,-0.2 0.748 79.9 172.2 64.8 23.1 19.5 16.0 1.5 42 42 A G E + G 0 84B 2 42,-2.0 42,-1.9 -3,-0.2 2,-0.3 -0.409 4.8 175.1 -66.8 137.5 19.5 15.5 5.3 43 43 A R E -FG 18 83B 22 -25,-2.2 -25,-3.1 40,-0.2 2,-0.4 -0.974 16.4-178.8-148.0 131.7 17.3 17.8 7.2 44 44 A I E +FG 17 82B 0 38,-2.4 38,-2.6 -2,-0.3 2,-0.3 -0.991 20.6 152.6-123.5 137.9 16.4 18.2 10.9 45 45 A W E -F 16 0B 0 -29,-2.3 -29,-2.7 -2,-0.4 2,-0.3 -0.952 36.7-114.2-153.6 170.5 14.0 20.8 12.1 46 46 A G E -F 15 0B 0 34,-0.5 2,-0.4 -2,-0.3 -31,-0.2 -0.872 19.3-153.5-109.4 147.1 11.5 21.7 14.8 47 47 A R E -F 14 0B 0 -33,-1.2 -33,-2.7 -2,-0.3 2,-0.3 -0.956 12.5-164.0-118.1 139.9 7.7 22.2 14.4 48 48 A T E +K 62 0C 16 14,-0.6 14,-1.8 -2,-0.4 13,-0.9 -0.839 61.6 28.6-123.0 159.5 5.7 24.4 16.7 49 49 A G E S+ 0 0 51 -37,-0.4 12,-1.2 -2,-0.3 2,-0.3 0.928 81.3 164.0 63.2 46.9 2.0 24.8 17.4 50 50 A b E -K 60 0C 18 10,-0.3 2,-0.3 -3,-0.2 10,-0.2 -0.674 27.0-173.7 -98.2 151.1 1.1 21.2 16.5 51 51 A S E -K 59 0C 88 8,-1.9 8,-2.1 -2,-0.3 2,-0.4 -0.965 11.9-179.4-136.1 130.8 -1.9 19.1 17.2 52 52 A F E -K 58 0C 42 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.971 19.3-135.0-128.7 143.3 -2.0 15.4 16.3 53 53 A D > - 0 0 80 4,-3.1 3,-1.6 -2,-0.4 4,-0.0 -0.235 44.8 -86.8 -80.0-179.7 -4.7 12.7 16.6 54 54 A G T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.567 126.3 58.1 -67.1 -11.5 -4.0 9.2 17.9 55 55 A S T 3 S- 0 0 74 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.228 120.7-103.2-102.6 12.7 -3.1 8.0 14.4 56 56 A G S < S+ 0 0 19 -3,-1.6 13,-2.6 1,-0.3 14,-0.3 0.741 81.3 123.7 77.7 25.9 -0.2 10.5 14.0 57 57 A R B +L 68 0D 149 11,-0.2 -4,-3.1 12,-0.1 2,-0.3 -0.910 27.6 84.9-122.4 148.1 -2.1 12.9 11.7 58 58 A G E -K 52 0C 36 9,-2.3 2,-0.3 -2,-0.3 -6,-0.2 -0.906 63.6 -72.7 164.1-139.3 -2.8 16.6 12.2 59 59 A R E -K 51 0C 194 -8,-2.1 -8,-1.9 -2,-0.3 2,-0.4 -0.988 19.6-150.3-162.5 144.1 -1.1 20.0 11.6 60 60 A b E -K 50 0C 8 -2,-0.3 4,-0.4 -10,-0.2 -10,-0.3 -0.945 20.4-137.0-119.2 144.0 1.6 22.3 12.8 61 61 A Q E S+ 0 0 111 -12,-1.2 2,-0.4 -13,-0.9 -12,-0.2 0.857 95.2 26.3 -64.2 -36.8 1.7 26.1 12.7 62 62 A T E S+K 48 0C 1 -14,-1.8 -14,-0.6 1,-0.1 -1,-0.2 -0.985 127.2 6.2-128.7 145.1 5.3 25.9 11.6 63 63 A G S S+ 0 0 0 13,-2.0 -2,-0.1 -2,-0.4 -1,-0.1 0.592 74.7 176.2 70.6 12.6 7.4 23.2 9.8 64 64 A D - 0 0 14 -4,-0.4 12,-1.8 12,-0.3 2,-0.8 -0.249 19.9-152.7 -56.5 133.2 4.4 21.0 9.1 65 65 A c > - 0 0 3 3,-0.5 3,-1.2 10,-0.2 7,-0.2 -0.759 66.3 -53.9-111.6 84.1 5.3 17.9 6.9 66 66 A G T 3 S- 0 0 73 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.797 99.5 -65.8 56.3 30.1 2.2 16.9 5.0 67 67 A G T 3 S+ 0 0 16 1,-0.2 -9,-2.3 -10,-0.1 2,-0.3 0.709 103.9 115.9 70.8 23.7 0.1 16.7 8.2 68 68 A V B < -L 57 0D 41 -3,-1.2 -3,-0.5 -11,-0.2 -11,-0.2 -0.911 61.7-141.5-123.5 155.7 1.9 13.8 9.8 69 69 A L S S+ 0 0 51 -13,-2.6 2,-1.3 -2,-0.3 -1,-0.1 0.924 99.0 55.5 -73.3 -50.1 3.8 13.3 13.0 70 70 A S S S- 0 0 72 -14,-0.3 -1,-0.2 -49,-0.1 -48,-0.2 -0.687 94.8-140.6 -90.8 89.2 6.4 10.9 11.5 71 71 A c + 0 0 7 -2,-1.3 -51,-0.2 -50,-0.4 -54,-0.1 -0.127 32.3 174.9 -58.2 138.4 7.7 13.1 8.6 72 72 A T S S+ 0 0 129 -7,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.132 72.0 29.5-119.8 13.0 8.4 11.5 5.3 73 73 A A S S- 0 0 51 -8,-0.1 -1,-0.1 -52,-0.1 -56,-0.1 -0.969 94.9 -72.2-160.0 167.8 9.2 14.9 3.6 74 74 A Y - 0 0 105 -2,-0.3 -8,-0.2 1,-0.1 2,-0.1 -0.216 55.2-111.8 -64.8 157.5 10.4 18.4 4.2 75 75 A G - 0 0 9 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.2 -0.354 24.7 -91.6 -97.2 167.7 8.3 20.9 6.1 76 76 A N - 0 0 88 -12,-1.8 -13,-2.0 -2,-0.1 -12,-0.3 -0.657 62.2 -80.6 -75.4 126.6 6.3 24.0 5.5 77 77 A P S S+ 0 0 47 0, 0.0 25,-0.2 0, 0.0 -13,-0.1 -0.264 100.0 68.4 -57.7 154.2 8.2 27.3 6.0 78 78 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 24,-0.3 0.363 73.4 131.7 -84.9 135.3 9.0 29.0 8.3 79 79 A N - 0 0 0 22,-2.5 22,-0.3 60,-0.1 2,-0.3 -0.905 53.6-129.7-150.6 123.9 11.4 26.5 9.7 80 80 A T - 0 0 1 -2,-0.3 -34,-0.5 -34,-0.2 2,-0.4 -0.545 38.8-145.8 -65.8 132.0 15.0 26.8 11.0 81 81 A L E - H 0 98B 0 17,-2.1 17,-2.3 21,-0.3 2,-0.6 -0.889 26.2-162.7-117.2 133.4 17.0 24.0 9.3 82 82 A A E -GH 44 97B 0 -38,-2.6 -38,-2.4 -2,-0.4 2,-0.3 -0.957 30.5-173.5 -97.2 116.6 19.8 21.8 10.2 83 83 A E E +GH 43 96B 46 13,-2.9 13,-2.2 -2,-0.6 2,-0.3 -0.884 7.4 170.7-116.9 145.7 21.0 20.5 6.8 84 84 A F E -GH 42 95B 9 -42,-1.9 -42,-2.0 -2,-0.3 2,-0.4 -0.998 26.7-167.1-155.5 150.7 23.6 17.8 6.1 85 85 A A E - H 0 94B 23 9,-2.5 9,-2.8 -2,-0.3 3,-0.4 -0.978 30.7-146.3-135.1 120.8 25.2 15.6 3.4 86 86 A L E + 0 0 0 -47,-2.9 7,-0.2 -2,-0.4 104,-0.1 -0.690 64.6 1.6-100.9 141.7 27.4 12.9 4.9 87 87 A N E S+ 0 0 40 -2,-0.3 4,-0.3 1,-0.1 6,-0.2 0.876 84.4 163.4 59.2 41.8 30.6 11.3 3.6 88 88 A Q E > - 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0 0 0 -3,-1.8 -1,-0.4 -24,-0.3 2,-0.4 -0.112 35.7 -80.1 84.0-176.9 12.7 30.9 7.3 103 103 A F B +M 139 0E 3 36,-2.3 36,-2.5 -23,-0.1 -4,-0.1 -0.969 44.3 149.7-126.9 139.6 13.2 30.8 11.0 104 104 A N S S+ 0 0 2 1,-0.4 -1,-0.1 -2,-0.4 22,-0.1 0.507 70.3 21.4-130.8 -45.3 10.9 29.4 13.7 105 105 A V S S- 0 0 1 -59,-0.1 -1,-0.4 20,-0.0 -59,-0.1 -0.967 80.8-108.2-129.2 140.0 13.1 28.2 16.6 106 106 A P - 0 0 26 0, 0.0 93,-2.2 0, 0.0 2,-0.3 -0.407 45.4-165.7 -65.0 149.1 16.6 29.1 17.7 107 107 A M E -CD 121 198A 0 14,-2.4 14,-2.9 91,-0.2 2,-0.4 -0.994 28.8-161.0-146.3 138.9 19.1 26.3 17.0 108 108 A D E -CD 120 197A 15 89,-2.1 89,-2.7 -2,-0.3 2,-0.4 -0.986 14.4-175.5-112.6 134.0 22.6 25.0 17.7 109 109 A F E +CD 119 196A 0 10,-2.9 10,-1.9 -2,-0.4 87,-0.2 -0.927 22.9 151.2-131.8 102.6 23.8 22.4 15.2 110 110 A S E - D 0 195A 26 85,-2.3 85,-2.8 -2,-0.4 8,-0.1 -0.958 46.4-107.2-137.9 151.5 27.2 21.0 16.3 111 111 A P E - D 0 194A 22 0, 0.0 83,-0.3 0, 0.0 4,-0.1 -0.491 20.0-168.4 -71.0 148.3 29.4 17.9 16.1 112 112 A T S S+ 0 0 80 81,-2.7 82,-0.2 -2,-0.1 6,-0.0 0.577 76.3 66.2-105.3 -17.4 29.8 15.9 19.3 113 113 A S S S- 0 0 60 80,-1.1 81,-0.1 1,-0.2 -1,-0.1 0.375 99.9-115.2 -97.5 5.7 32.6 13.6 18.2 114 114 A G S S+ 0 0 46 79,-0.2 -1,-0.2 2,-0.2 79,-0.1 0.054 77.9 93.4 89.3 162.4 35.5 16.1 17.8 115 115 A G S S+ 0 0 73 1,-0.1 2,-0.3 73,-0.1 -1,-0.0 0.411 88.2 33.2 100.8 -2.0 37.5 17.3 14.8 116 116 A d S S- 0 0 40 72,-0.1 -2,-0.2 -5,-0.1 2,-0.2 -0.980 77.5 -96.0-172.3 170.2 35.6 20.4 13.8 117 117 A R - 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