==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SWEET PROTEIN 12-MAR-98 1BRZ . COMPND 2 MOLECULE: BRAZZEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PENTADIPLANDRA BRAZZEANA; . AUTHOR J.E.CALDWELL,F.ABILDGAARD,Z.DZAKULA,D.MING,G.HELLEKANT, . 54 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 61.1 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 18.5 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 . 0 0.0 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 . 2 3.7 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 . 7 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 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 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 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 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 1 A X 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.0 -15.3 -17.9 -3.3 2 2 A D + 0 0 183 1,-0.0 2,-0.3 2,-0.0 0, 0.0 0.377 360.0 38.6 -79.8 5.5 -18.8 -18.5 -4.5 3 3 A K + 0 0 101 1,-0.1 3,-0.1 3,-0.0 -1,-0.0 -0.993 44.5 168.3-153.8 151.7 -19.7 -14.9 -3.6 4 4 A a + 0 0 31 -2,-0.3 47,-3.1 1,-0.1 48,-1.3 0.105 63.5 77.6-151.5 21.7 -18.1 -11.5 -3.6 5 5 A K E -A 50 0A 66 45,-0.3 2,-0.5 46,-0.2 45,-0.3 -0.968 59.5-153.7-142.7 122.5 -21.1 -9.2 -2.8 6 6 A K E -A 49 0A 94 43,-1.9 43,-2.2 -2,-0.4 2,-0.3 -0.844 23.0-123.3 -99.9 125.5 -22.6 -8.5 0.6 7 7 A V E -A 48 0A 80 -2,-0.5 2,-3.3 41,-0.2 41,-0.2 -0.467 28.1-113.2 -67.1 127.9 -26.3 -7.4 0.8 8 8 A Y - 0 0 51 39,-3.3 39,-0.3 -2,-0.3 -1,-0.1 -0.316 45.0-123.9 -61.3 73.9 -26.7 -4.1 2.6 9 9 A E S S- 0 0 120 -2,-3.3 38,-0.1 37,-0.1 -1,-0.1 0.287 76.5 -9.5 16.4-125.9 -28.6 -5.9 5.4 10 10 A N S S+ 0 0 122 36,-0.1 37,-0.4 -3,-0.1 -2,-0.0 0.733 74.4 160.9 -57.2-122.2 -31.9 -4.2 5.8 11 11 A Y - 0 0 39 35,-0.1 36,-0.2 1,-0.0 -3,-0.0 0.771 50.1-103.6 97.6 95.7 -32.3 -1.0 3.7 12 12 A P > - 0 0 92 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.238 26.1-146.8 -49.2 115.5 -35.8 0.4 2.9 13 13 A V T 3 + 0 0 59 1,-0.2 33,-0.0 2,-0.1 24,-0.0 0.923 65.1 117.3 -50.7 -50.2 -36.3 -0.5 -0.7 14 14 A S T 3 S+ 0 0 107 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.243 84.2 26.5 19.1 -79.0 -38.4 2.7 -1.2 15 15 A K S < S+ 0 0 92 -3,-0.6 -1,-0.2 2,-0.0 -2,-0.1 0.978 73.2 132.5 -65.4 -87.8 -35.9 4.1 -3.8 16 16 A b + 0 0 9 -4,-0.2 3,-0.1 1,-0.1 29,-0.1 0.839 34.5 115.2 28.1 81.3 -34.1 1.2 -5.5 17 17 A Q S S- 0 0 157 1,-0.5 2,-0.3 2,-0.2 -1,-0.1 0.435 78.4 -12.0-142.3 -23.7 -34.5 2.4 -9.1 18 18 A L S S- 0 0 130 1,-0.4 -1,-0.5 0, 0.0 4,-0.3 -0.927 85.6 -57.0-165.2-176.4 -31.0 3.2 -10.3 19 19 A A S S+ 0 0 46 -2,-0.3 2,-1.5 1,-0.2 -1,-0.4 0.427 93.9 63.7 -54.7-157.1 -27.4 3.6 -9.2 20 20 A N S >>S+ 0 0 95 1,-0.2 4,-2.5 15,-0.2 5,-0.7 -0.578 91.7 63.7 76.4 -87.7 -26.2 6.1 -6.6 21 21 A Q H >5S+ 0 0 45 -2,-1.5 4,-2.2 1,-0.2 5,-0.3 0.843 120.3 17.2 -30.3 -90.4 -27.9 4.9 -3.4 22 22 A c H >5S+ 0 0 0 -4,-0.3 4,-3.1 -3,-0.2 5,-0.3 0.901 128.6 55.7 -55.7 -45.4 -26.4 1.4 -2.9 23 23 A N H >5S+ 0 0 50 12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.978 114.4 34.4 -51.8 -71.7 -23.5 2.2 -5.2 24 24 A Y H <5S+ 0 0 120 -4,-2.5 5,-0.3 2,-0.2 -3,-0.2 0.948 121.3 48.4 -49.9 -59.5 -22.2 5.4 -3.5 25 25 A D H >XXS+ 0 0 30 -4,-2.2 4,-4.9 -5,-0.7 3,-2.0 0.934 113.0 47.0 -49.2 -54.7 -23.0 4.2 -0.0 26 26 A d H 3X5S+ 0 0 0 -4,-3.1 6,-2.6 -5,-0.3 4,-1.0 0.910 101.7 66.7 -54.7 -42.0 -21.4 0.8 -0.5 27 27 A K H 3<5S- 0 0 138 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.330 130.7 -1.5 -62.1 11.0 -18.4 2.6 -2.0 28 28 A L H X45S+ 0 0 100 -3,-2.0 3,-1.0 -5,-0.1 -2,-0.2 0.289 122.6 66.3-165.5 -45.5 -17.9 4.0 1.5 29 29 A D H 3<5S+ 0 0 79 -4,-4.9 -3,-0.2 -5,-0.3 -2,-0.1 0.683 125.6 20.7 -67.2 -15.3 -20.5 2.9 4.1 30 30 A K T 3< - 0 0 102 4,-0.3 2,-4.0 -2,-0.2 3,-2.2 -0.612 54.8 -65.7-121.8-178.3 -34.1 -12.8 -7.1 41 41 A E T 3 S+ 0 0 195 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.044 126.6 62.5 -63.3 43.0 -36.8 -15.0 -8.8 42 42 A K T 3 S- 0 0 154 -2,-4.0 -1,-0.3 2,-0.1 -3,-0.0 0.482 110.8-107.5-138.4 -25.3 -39.2 -13.7 -6.1 43 43 A R < + 0 0 200 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.925 66.9 136.7 89.6 61.4 -39.4 -9.9 -6.7 44 44 A N - 0 0 81 -4,-0.4 2,-0.3 2,-0.0 -4,-0.3 -0.879 36.3-156.0-142.9 105.7 -37.5 -8.3 -3.8 45 45 A L + 0 0 56 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.651 19.7 166.3 -86.6 136.2 -35.0 -5.5 -4.4 46 46 A Q E - B 0 38A 56 -8,-2.2 -8,-2.4 -2,-0.3 2,-1.0 -0.980 44.8 -96.5-145.7 153.9 -32.2 -4.8 -2.0 47 47 A c E - B 0 37A 0 -37,-0.4 -39,-3.3 -2,-0.3 2,-0.6 -0.610 41.5-161.6 -75.9 101.4 -29.0 -2.7 -2.0 48 48 A I E -AB 7 36A 26 -12,-3.1 -12,-2.0 -2,-1.0 2,-0.6 -0.754 4.5-152.4 -89.3 121.7 -26.2 -5.2 -2.9 49 49 A d E -AB 6 35A 0 -43,-2.2 -43,-1.9 -2,-0.6 2,-0.4 -0.827 11.9-148.9 -95.6 117.3 -22.7 -4.1 -2.0 50 50 A D E +AB 5 34A 18 -16,-1.4 -17,-2.8 -2,-0.6 -16,-2.3 -0.718 21.4 177.2 -90.5 133.9 -20.1 -5.6 -4.4 51 51 A Y S S+ 0 0 84 -47,-3.1 2,-0.2 -2,-0.4 -46,-0.2 0.659 80.6 25.2-103.6 -25.7 -16.6 -6.3 -3.1 52 52 A a S S+ 0 0 46 -48,-1.3 -1,-0.2 1,-0.1 -20,-0.0 -0.683 86.3 97.5-144.9 86.7 -15.2 -7.9 -6.3 53 53 A E 0 0 95 1,-0.6 -1,-0.1 -2,-0.2 -3,-0.1 -0.168 360.0 360.0-167.7 59.6 -16.8 -6.8 -9.6 54 54 A Y 0 0 258 -3,-0.1 -1,-0.6 -20,-0.1 -4,-0.0 0.026 360.0 360.0 58.3 360.0 -14.8 -4.1 -11.4