==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 13-MAR-09 2KGQ . COMPND 2 MOLECULE: BRAZZEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA BAILLON; . AUTHOR C.C.CORNILESCU,M.TONELLI,M.L.DERIDER,J.L.MARKLEY,F.M.ASSADI- . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 19.2 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 . 1 1.9 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-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 . 10 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.8 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 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A D > 0 0 168 0, 0.0 3,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.5 -7.3 -6.2 9.4 2 3 A K T 3 + 0 0 200 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.867 360.0 36.9 -58.2 -36.9 -9.6 -3.5 10.7 3 4 A C T 3 S+ 0 0 30 46,-0.1 47,-2.6 48,-0.0 2,-0.4 0.437 114.0 73.7 -93.8 -1.5 -6.7 -1.0 10.4 4 5 A K E < +A 49 0A 76 -3,-0.9 2,-0.4 45,-0.2 45,-0.2 -0.917 54.1 179.4-117.1 141.4 -5.5 -2.7 7.2 5 6 A K E -A 48 0A 88 43,-1.6 43,-2.4 -2,-0.4 2,-0.4 -0.928 18.3-145.2-143.1 114.0 -7.1 -2.6 3.7 6 7 A V E -A 47 0A 66 -2,-0.4 2,-0.6 41,-0.3 41,-0.2 -0.651 7.9-165.9 -82.4 129.3 -5.6 -4.4 0.7 7 8 A Y E > +A 46 0A 55 39,-2.8 3,-1.7 -2,-0.4 39,-0.6 -0.697 16.4 168.2-115.1 77.8 -6.0 -2.6 -2.7 8 9 A E T 3 S+ 0 0 99 -2,-0.6 -1,-0.1 1,-0.3 39,-0.1 0.620 75.2 71.4 -63.6 -9.9 -5.2 -5.3 -5.3 9 10 A N T 3 S+ 0 0 121 1,-0.2 -1,-0.3 37,-0.1 36,-0.0 0.166 100.3 45.6 -91.3 17.9 -6.6 -2.7 -7.7 10 11 A Y < + 0 0 104 -3,-1.7 2,-0.6 34,-0.1 -1,-0.2 -0.018 67.8 139.9-152.6 41.2 -3.5 -0.6 -7.2 11 12 A P + 0 0 46 0, 0.0 2,-0.4 0, 0.0 34,-0.1 -0.793 26.1 169.5 -89.1 117.0 -0.3 -2.7 -7.3 12 13 A V >> - 0 0 62 -2,-0.6 3,-2.6 32,-0.3 4,-0.5 -0.991 46.6-131.1-134.6 141.0 2.4 -0.8 -9.2 13 14 A S G >4 S+ 0 0 80 -2,-0.4 3,-1.9 1,-0.3 4,-0.1 0.845 111.2 66.8 -53.6 -32.3 6.1 -1.4 -9.7 14 15 A K G >4 S+ 0 0 138 1,-0.3 3,-1.5 2,-0.2 6,-0.3 0.787 87.8 67.2 -59.0 -26.7 6.4 2.3 -8.7 15 16 A C G <4 S+ 0 0 6 -3,-2.6 6,-0.5 1,-0.3 -1,-0.3 0.773 70.4 92.1 -65.7 -24.7 5.2 1.2 -5.3 16 17 A Q G << S+ 0 0 119 -3,-1.9 2,-0.8 -4,-0.5 -1,-0.3 0.717 74.6 80.3 -42.3 -18.5 8.5 -0.6 -5.0 17 18 A L S X> S- 0 0 83 -3,-1.5 4,-2.3 1,-0.2 3,-1.0 -0.829 78.2-150.4 -97.5 105.1 9.4 2.7 -3.4 18 19 A A H 3> S+ 0 0 70 -2,-0.8 4,-1.2 1,-0.3 5,-0.2 0.713 101.1 58.5 -44.8 -18.4 8.1 2.8 0.2 19 20 A N H 3> S+ 0 0 116 2,-0.2 4,-2.3 1,-0.1 -1,-0.3 0.931 104.5 45.0 -78.6 -48.4 7.9 6.5 -0.6 20 21 A Q H <>>S+ 0 0 71 -3,-1.0 4,-3.5 -6,-0.3 5,-0.6 0.882 108.0 62.2 -60.8 -39.4 5.6 6.2 -3.5 21 22 A C H X5S+ 0 0 2 -4,-2.3 4,-2.5 -6,-0.5 5,-0.2 0.951 112.5 31.7 -51.9 -60.5 3.4 3.7 -1.5 22 23 A N H X5S+ 0 0 25 -4,-1.2 4,-2.4 12,-0.3 12,-0.2 0.905 124.3 46.5 -68.6 -42.7 2.4 6.1 1.2 23 24 A Y H X5S+ 0 0 147 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.962 118.9 39.7 -64.2 -52.9 2.5 9.2 -1.0 24 25 A D H X5S+ 0 0 43 -4,-3.5 4,-2.7 -5,-0.3 6,-0.3 0.926 116.2 51.0 -63.2 -46.2 0.5 7.6 -3.8 25 26 A C H XXS+ 0 0 6 -4,-2.5 5,-1.8 -5,-0.6 4,-1.7 0.925 107.4 53.7 -57.8 -45.3 -1.9 5.8 -1.5 26 27 A K H <5S+ 0 0 82 -4,-2.4 -1,-0.2 4,-0.3 4,-0.2 0.899 113.3 43.8 -55.2 -41.8 -2.6 9.0 0.4 27 28 A L H <5S+ 0 0 127 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.846 132.5 21.1 -71.2 -37.1 -3.5 10.6 -2.9 28 29 A D H <5S+ 0 0 87 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.892 140.6 19.6 -97.4 -61.2 -5.5 7.6 -4.0 29 30 A K T <5S- 0 0 28 -4,-1.7 -3,-0.3 -5,-0.2 -4,-0.1 0.361 91.3-128.6 -96.3 6.2 -6.5 5.5 -1.0 30 31 A H < + 0 0 141 -5,-1.8 -4,-0.3 -6,-0.3 -5,-0.1 0.788 47.2 172.3 52.8 27.6 -6.1 8.3 1.5 31 32 A A - 0 0 2 -6,-0.6 -1,-0.2 1,-0.1 19,-0.1 -0.307 36.9-135.3 -66.0 152.0 -4.0 5.8 3.5 32 33 A R S S- 0 0 149 17,-1.5 18,-0.1 -3,-0.1 -1,-0.1 0.893 97.3 -3.8 -76.1 -41.8 -2.1 7.1 6.5 33 34 A S S S- 0 0 52 16,-0.7 -11,-0.2 2,-0.0 -10,-0.1 0.382 85.8-144.9-130.1 -3.6 1.2 5.4 5.8 34 35 A G - 0 0 0 15,-0.3 2,-0.5 -12,-0.2 -12,-0.3 0.823 19.9-162.3 31.6 101.5 0.4 3.3 2.7 35 36 A E E -B 47 0A 72 12,-1.9 12,-2.5 -14,-0.2 2,-0.4 -0.947 4.9-154.5-116.7 129.2 2.4 0.1 3.2 36 37 A C E -B 46 0A 24 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.825 11.2-172.7-104.5 141.2 3.2 -2.3 0.4 37 38 A F E -B 45 0A 100 8,-1.9 8,-2.7 -2,-0.4 2,-0.5 -0.879 27.2-109.2-128.3 160.6 4.0 -6.0 0.8 38 39 A Y E -B 44 0A 162 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.791 35.9-168.9 -93.7 125.9 5.2 -8.8 -1.5 39 40 A D > - 0 0 25 4,-1.7 3,-1.4 -2,-0.5 -1,-0.0 -0.272 42.5 -87.7 -99.4-171.4 2.6 -11.4 -2.3 40 41 A E T 3 S+ 0 0 164 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.823 125.6 63.2 -67.8 -31.0 2.9 -14.8 -4.0 41 42 A K T 3 S- 0 0 156 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.416 112.5-121.9 -73.7 4.1 2.4 -13.2 -7.4 42 43 A R S < S+ 0 0 189 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.719 72.8 131.3 61.4 19.5 5.7 -11.3 -6.6 43 44 A N - 0 0 39 1,-0.0 -4,-1.7 -32,-0.0 2,-0.9 -0.717 67.5-107.8-103.8 155.2 3.6 -8.2 -7.0 44 45 A L E - B 0 38A 19 -2,-0.3 2,-0.6 -6,-0.2 -32,-0.3 -0.719 32.4-156.6 -86.0 107.7 3.5 -5.2 -4.7 45 46 A Q E - B 0 37A 20 -8,-2.7 -8,-1.9 -2,-0.9 2,-0.9 -0.741 12.2-135.7 -87.7 122.3 0.2 -5.2 -2.9 46 47 A C E -AB 7 36A 2 -39,-0.6 -39,-2.8 -2,-0.6 2,-0.7 -0.668 23.8-174.7 -80.6 108.0 -0.9 -1.7 -1.6 47 48 A I E -AB 6 35A 29 -12,-2.5 -12,-1.9 -2,-0.9 2,-0.3 -0.872 15.7-145.6-108.6 103.4 -2.2 -2.2 1.9 48 49 A C E -A 5 0A 0 -43,-2.4 -43,-1.6 -2,-0.7 2,-0.4 -0.494 16.9-156.0 -68.2 126.5 -3.6 1.0 3.4 49 50 A D E -A 4 0A 15 -2,-0.3 -17,-1.5 -45,-0.2 2,-0.7 -0.872 10.3-153.8-108.8 139.2 -2.9 1.2 7.1 50 51 A Y - 0 0 57 -47,-2.6 2,-2.8 -2,-0.4 -19,-0.0 -0.836 68.4 -58.3-112.3 94.7 -4.9 3.2 9.7 51 52 A C 0 0 76 -2,-0.7 -2,-0.1 -48,-0.0 -48,-0.0 -0.375 360.0 360.0 73.4 -69.1 -2.7 4.0 12.6 52 53 A E 0 0 131 -2,-2.8 -2,-0.3 -48,-0.0 -1,-0.0 -0.423 360.0 360.0 -70.8 360.0 -1.9 0.4 13.5