==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIFUNGAL PROTEIN, PLANT PROTEIN 11-JUN-13 4L5H . COMPND 2 MOLECULE: VVTL1; . SOURCE 2 ORGANISM_SCIENTIFIC: VITIS VINIFERA; . AUTHOR M.MARANGON,R.I.MENZ,E.J.WATERS,S.C.VAN SLUYTER . 396 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 29.3 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 . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 7 1 0 0 0 2 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 . 2 0 0 0 2 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 . 6 2 4 6 6 2 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 . 2 4 0 2 0 2 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 25 A A 0 0 22 0, 0.0 34,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.6 -28.3 16.8 -18.4 2 26 A T E -A 34 0A 55 32,-0.2 190,-2.6 188,-0.1 2,-0.4 -0.763 360.0-160.5 -97.2 145.1 -30.5 14.7 -20.7 3 27 A F E -Ab 33 192A 0 30,-2.9 30,-2.5 -2,-0.3 2,-0.6 -0.995 5.0-157.2-126.7 124.1 -30.5 10.9 -20.1 4 28 A D E -Ab 32 193A 61 188,-2.2 190,-2.6 -2,-0.4 2,-0.5 -0.919 11.9-164.6 -98.4 121.8 -31.7 8.4 -22.9 5 29 A I E -Ab 31 194A 0 26,-2.8 26,-2.4 -2,-0.6 2,-0.4 -0.939 9.9-176.7-114.6 116.6 -32.8 5.2 -21.3 6 30 A L E -Ab 30 195A 41 188,-2.9 190,-2.7 -2,-0.5 2,-0.7 -0.952 20.8-144.8-123.1 135.9 -33.1 2.3 -23.7 7 31 A N E + b 0 196A 0 22,-2.8 21,-2.2 -2,-0.4 22,-0.2 -0.902 25.3 164.1-100.8 109.9 -34.3 -1.2 -23.1 8 32 A K + 0 0 111 188,-2.4 189,-0.2 -2,-0.7 -1,-0.1 0.386 42.4 115.7 -98.2 -0.1 -32.4 -3.8 -25.2 9 33 A a S S- 0 0 1 187,-0.2 19,-0.3 2,-0.1 4,-0.1 -0.369 74.0-127.8 -69.3 153.2 -33.6 -6.7 -23.1 10 34 A T S S+ 0 0 136 17,-0.1 17,-0.3 2,-0.1 2,-0.2 0.709 94.1 62.5 -73.4 -15.1 -35.8 -9.4 -24.7 11 35 A Y S S- 0 0 94 15,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.648 99.1 -91.3-109.4 159.7 -38.2 -8.8 -21.8 12 36 A T - 0 0 30 -2,-0.2 37,-0.4 14,-0.1 2,-0.4 -0.440 38.5-166.5 -70.7 139.0 -40.2 -5.7 -20.7 13 37 A V E -E 25 0B 0 12,-2.6 12,-2.2 -2,-0.2 2,-1.2 -0.992 17.0-141.9-126.6 130.0 -38.4 -3.5 -18.1 14 38 A W E -EF 24 47B 21 33,-2.6 33,-1.0 -2,-0.4 10,-0.3 -0.819 26.0-146.4 -95.6 103.3 -40.3 -0.8 -16.3 15 39 A A E -EF 23 46B 0 8,-1.6 8,-2.0 -2,-1.2 2,-0.3 -0.306 18.8-172.1 -63.4 146.0 -37.7 2.0 -16.3 16 40 A A E -EF 22 45B 0 29,-3.2 29,-1.8 6,-0.2 2,-0.3 -0.984 8.0-171.6-137.8 156.7 -37.7 4.3 -13.2 17 41 A A E > -EF 21 44B 2 4,-2.3 4,-2.2 -2,-0.3 3,-0.4 -0.994 22.9-127.4-149.8 139.6 -35.9 7.5 -12.2 18 42 A S E 4 S+ F 0 43B 14 25,-2.4 25,-2.1 1,-0.4 2,-0.1 -0.961 109.6 19.2-120.9 111.6 -35.5 9.6 -9.1 19 43 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.4 0, 0.0 53,-0.1 0.616 126.5 50.1 -88.1 154.3 -36.3 12.3 -10.1 20 44 A G T 4 S- 0 0 48 -3,-0.4 2,-0.6 51,-0.3 -2,-0.2 0.071 85.7-126.2 151.8 -33.3 -38.3 11.6 -13.3 21 45 A G E < -E 17 0B 6 -4,-2.2 -4,-2.3 49,-0.1 50,-0.5 -0.852 38.4 -74.1 107.6-124.3 -40.9 8.9 -12.6 22 46 A G E -E 16 0B 9 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.961 29.6-162.8-176.4 153.6 -41.2 5.8 -14.7 23 47 A R E -E 15 0B 102 -8,-2.0 -8,-1.6 -2,-0.3 2,-0.4 -0.976 29.5-114.2-148.8 140.2 -42.2 4.1 -17.9 24 48 A R E -E 14 0B 118 -2,-0.3 2,-0.6 -10,-0.3 -10,-0.2 -0.602 33.6-169.5 -67.1 121.5 -43.0 0.7 -19.3 25 49 A L E -E 13 0B 1 -12,-2.2 -12,-2.6 -2,-0.4 3,-0.1 -0.912 1.6-165.2-115.6 100.7 -40.2 -0.1 -21.9 26 50 A D > - 0 0 53 -2,-0.6 3,-2.5 -14,-0.2 -19,-0.3 -0.343 54.6 -51.3 -68.2 169.2 -41.0 -3.1 -24.0 27 51 A S T 3 S+ 0 0 69 -17,-0.3 -1,-0.2 1,-0.3 -19,-0.2 -0.102 130.3 8.7 -47.8 125.1 -38.1 -4.6 -25.9 28 52 A G T 3 S+ 0 0 50 -21,-2.2 -1,-0.3 1,-0.3 -20,-0.1 0.353 97.3 130.9 88.3 -4.4 -36.3 -1.9 -28.0 29 53 A Q < - 0 0 63 -3,-2.5 -22,-2.8 -22,-0.2 2,-0.3 -0.481 38.7-158.5 -87.4 150.8 -38.2 1.1 -26.4 30 54 A S E -A 6 0A 37 -24,-0.2 2,-0.4 -2,-0.1 -24,-0.2 -0.906 11.0-163.5-125.1 158.1 -36.6 4.3 -25.0 31 55 A W E -A 5 0A 36 -26,-2.4 -26,-2.8 -2,-0.3 2,-0.5 -0.993 11.3-158.6-138.4 132.4 -37.5 7.1 -22.6 32 56 A T E +A 4 0A 33 199,-0.4 199,-0.4 -2,-0.4 2,-0.3 -0.955 15.1 175.1-117.9 132.7 -35.6 10.3 -22.5 33 57 A I E -A 3 0A 15 -30,-2.5 -30,-2.9 -2,-0.5 2,-0.4 -0.883 25.8-131.2-132.4 163.9 -35.6 12.6 -19.5 34 58 A T E -A 2 0A 51 -2,-0.3 2,-0.5 -32,-0.2 -32,-0.2 -0.914 15.9-170.0-111.2 132.7 -34.0 15.8 -18.3 35 59 A V - 0 0 1 -34,-2.8 3,-0.1 -2,-0.4 -15,-0.0 -0.995 28.4-121.7-121.3 126.9 -32.4 16.0 -14.8 36 60 A N > - 0 0 91 -2,-0.5 3,-1.7 1,-0.1 50,-0.2 -0.378 28.2 -91.5 -77.9 154.8 -31.5 19.5 -13.8 37 61 A P T 3 S+ 0 0 83 0, 0.0 50,-0.2 0, 0.0 -1,-0.1 -0.191 111.3 32.4 -55.1 138.7 -28.1 20.8 -12.8 38 62 A G T 3 S+ 0 0 43 48,-1.1 49,-0.1 1,-0.4 2,-0.1 0.179 83.1 139.6 98.4 -17.0 -27.3 20.7 -9.1 39 63 A T < + 0 0 36 -3,-1.7 47,-3.3 46,-0.1 -1,-0.4 -0.397 26.0 177.3 -64.1 135.2 -29.4 17.5 -8.6 40 64 A T + 0 0 62 45,-0.3 45,-0.2 1,-0.1 3,-0.1 -0.791 55.8 41.1-125.8 174.0 -27.8 15.0 -6.2 41 65 A N S S+ 0 0 122 -2,-0.3 44,-0.1 1,-0.2 2,-0.1 0.750 83.2 150.1 64.6 20.7 -29.0 11.6 -4.8 42 66 A A E + G 0 84B 3 42,-1.7 42,-1.7 -3,-0.1 2,-0.3 -0.484 19.8 172.0 -93.4 156.7 -30.3 10.8 -8.3 43 67 A R E -FG 18 83B 18 -25,-2.1 -25,-2.4 40,-0.2 2,-0.4 -0.969 22.7-153.5-160.4 151.9 -30.6 7.3 -9.8 44 68 A I E +FG 17 82B 0 38,-2.3 38,-2.8 -2,-0.3 2,-0.3 -0.959 29.3 157.1-124.0 135.7 -32.1 5.4 -12.9 45 69 A W E -F 16 0B 0 -29,-1.8 -29,-3.2 -2,-0.4 2,-0.3 -0.936 32.8-121.6-146.6 175.6 -33.0 1.8 -12.7 46 70 A G E -F 15 0B 0 34,-0.5 2,-0.4 -2,-0.3 -31,-0.2 -0.872 16.9-150.5-122.2 154.4 -35.2 -0.9 -14.2 47 71 A R E -F 14 0B 0 -33,-1.0 -33,-2.6 -2,-0.3 2,-0.3 -0.965 10.1-146.8-124.5 143.0 -37.8 -3.1 -12.7 48 72 A T + 0 0 14 14,-0.5 13,-1.4 -2,-0.4 14,-1.1 -0.813 66.9 10.4-115.0 149.7 -38.8 -6.6 -13.7 49 73 A S S S+ 0 0 77 -37,-0.4 12,-1.0 -2,-0.3 2,-0.4 0.946 78.2 173.3 56.6 62.2 -42.2 -8.5 -13.6 50 74 A b E -K 60 0C 12 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.802 23.7-163.5-100.9 150.6 -44.5 -5.6 -12.9 51 75 A T E +K 59 0C 111 8,-2.4 8,-2.0 -2,-0.4 2,-0.3 -0.996 16.0 177.6-126.1 128.3 -48.2 -5.5 -12.8 52 76 A F E -K 58 0C 48 -2,-0.4 6,-0.2 6,-0.2 16,-0.1 -0.996 18.8-139.2-133.3 142.3 -50.1 -2.1 -12.9 53 77 A D > - 0 0 89 4,-2.3 3,-2.0 -2,-0.3 5,-0.0 -0.137 48.7 -79.5 -84.4-177.6 -53.7 -1.0 -13.0 54 78 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.658 131.0 50.9 -67.1 -9.9 -55.2 1.8 -15.1 55 79 A N T 3 S- 0 0 135 2,-0.2 -1,-0.3 14,-0.0 14,-0.1 0.251 119.9-104.1-110.2 10.5 -53.9 4.3 -12.5 56 80 A G S < S+ 0 0 12 -3,-2.0 13,-2.7 1,-0.2 14,-0.4 0.802 78.1 131.8 64.9 36.6 -50.4 3.1 -12.4 57 81 A R B +L 68 0D 154 11,-0.2 -4,-2.3 12,-0.1 2,-0.3 -0.937 28.9 87.7-114.7 138.9 -50.7 1.3 -9.0 58 82 A G E -K 52 0C 33 9,-3.0 2,-0.3 -2,-0.4 -6,-0.2 -0.863 66.2 -76.2 173.6-143.6 -49.4 -2.2 -8.6 59 83 A K E -K 51 0C 156 -8,-2.0 -8,-2.4 -2,-0.3 2,-0.3 -0.974 20.7-151.4-154.4 141.8 -46.2 -4.0 -7.8 60 84 A b E -K 50 0C 9 -2,-0.3 4,-0.3 -10,-0.3 -10,-0.2 -0.870 21.7-133.2-107.9 149.4 -42.9 -5.1 -9.4 61 85 A E S S+ 0 0 103 -13,-1.4 2,-0.3 -12,-1.0 -12,-0.2 0.835 95.1 21.1 -62.4 -38.5 -40.8 -8.2 -8.5 62 86 A T S S+ 0 0 1 -14,-1.1 -14,-0.5 1,-0.1 -1,-0.2 -0.986 127.2 11.7-133.8 146.9 -37.6 -6.0 -8.3 63 87 A G S S+ 0 0 0 13,-2.1 -2,-0.1 -2,-0.3 -1,-0.1 0.600 74.6 174.4 71.0 16.2 -37.0 -2.3 -7.9 64 88 A D - 0 0 18 -4,-0.3 12,-1.7 12,-0.3 2,-0.7 -0.282 21.2-153.6 -60.6 140.0 -40.6 -1.6 -6.8 65 89 A c B > -M 68 0D 0 3,-0.5 3,-2.2 10,-0.2 10,-0.2 -0.845 68.7 -51.6-119.2 88.8 -41.1 2.0 -5.8 66 90 A N T 3 S- 0 0 120 -2,-0.7 -1,-0.1 1,-0.3 -8,-0.1 0.815 102.6 -64.7 51.3 37.9 -44.1 2.1 -3.3 67 91 A G T 3 S+ 0 0 13 1,-0.2 -9,-3.0 -10,-0.1 2,-0.4 0.653 102.4 132.8 64.4 17.1 -46.2 0.2 -5.9 68 92 A L B < -LM 57 65D 17 -3,-2.2 -3,-0.5 -11,-0.2 -11,-0.2 -0.829 54.8-155.1-102.2 146.4 -46.2 3.0 -8.5 69 93 A L S S+ 0 0 39 -13,-2.7 2,-1.1 -2,-0.4 -1,-0.2 0.930 99.6 54.6 -70.1 -45.8 -45.5 3.0 -12.2 70 94 A E S S- 0 0 130 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.737 96.2-139.8 -94.5 94.6 -44.5 6.6 -11.9 71 95 A c + 0 0 9 -2,-1.1 -51,-0.3 -50,-0.5 3,-0.1 -0.121 28.0 177.2 -63.5 141.6 -41.7 6.5 -9.1 72 96 A Q S S+ 0 0 168 2,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.010 73.1 3.1-128.8 19.8 -41.6 9.3 -6.5 73 97 A G S S- 0 0 21 -56,-0.1 -1,-0.1 -52,-0.1 -56,-0.1 -0.966 99.8 -41.5 175.6-176.1 -38.7 7.7 -4.6 74 98 A Y - 0 0 106 -2,-0.3 -8,-0.2 1,-0.1 2,-0.1 -0.246 53.5-118.1 -70.6 161.2 -36.3 4.8 -4.6 75 99 A G - 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