==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 01-SEP-99 1CZ2 . COMPND 2 MOLECULE: NONSPECIFIC LIPID TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR S.TASSIN-MOINDROT,A.CAILLE,J.-P.DOULIEZ,D.MARION,F.VOVELLE . 90 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 60.0 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 . 0 0.0 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 . 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 . 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 . 8 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 1 0 0 0 0 0 0 0 2 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 I 0 0 68 0, 0.0 2,-2.8 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 161.6 10.4 -5.9 -3.7 2 2 A D - 0 0 135 1,-0.2 41,-0.1 44,-0.1 40,-0.0 -0.262 360.0 -86.1 -72.0 61.5 12.3 -3.2 -5.6 3 3 A a S S+ 0 0 53 -2,-2.8 -1,-0.2 40,-0.2 40,-0.0 0.862 110.6 86.8 44.7 53.4 9.3 -0.7 -5.9 4 4 A G S > S+ 0 0 38 3,-0.1 4,-2.7 0, 0.0 5,-0.2 0.374 82.2 38.1-144.2 -71.6 8.0 -2.3 -9.1 5 5 A H H > S+ 0 0 98 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.905 119.9 54.1 -58.2 -35.6 5.6 -5.3 -8.8 6 6 A V H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.972 106.0 51.8 -56.3 -52.6 4.2 -3.3 -5.8 7 7 A D H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.928 113.3 44.7 -51.1 -48.1 3.8 -0.3 -8.2 8 8 A S H < S+ 0 0 61 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.952 113.8 49.1 -60.2 -48.7 1.9 -2.6 -10.6 9 9 A L H X S+ 0 0 13 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.778 104.5 57.9 -68.2 -27.5 -0.3 -4.2 -7.9 10 10 A V H >X S+ 0 0 26 -4,-2.6 4,-2.3 -5,-0.2 3,-1.5 0.891 87.1 80.3 -69.1 -35.4 -1.4 -1.0 -6.2 11 11 A R H 3X S+ 0 0 141 -4,-1.2 4,-0.8 -3,-0.4 3,-0.2 0.850 92.7 45.9 -39.3 -58.5 -2.9 0.4 -9.5 12 12 A P H 34 S+ 0 0 24 0, 0.0 12,-0.5 0, 0.0 4,-0.4 0.839 115.7 49.7 -58.3 -27.8 -6.2 -1.7 -9.2 13 13 A b H XX S+ 0 0 13 -3,-1.5 4,-1.8 -4,-0.6 3,-1.6 0.900 92.7 75.9 -71.9 -39.9 -6.3 -0.5 -5.5 14 14 A L H 3X S+ 0 0 23 -4,-2.3 4,-3.4 1,-0.3 5,-0.4 0.794 83.1 67.2 -43.1 -39.8 -5.7 3.2 -6.4 15 15 A S H 3X S+ 0 0 82 -4,-0.8 4,-2.6 -3,-0.3 -1,-0.3 0.924 111.8 32.6 -47.1 -50.1 -9.4 3.5 -7.6 16 16 A Y H <> S+ 0 0 22 -3,-1.6 4,-0.6 -4,-0.4 -1,-0.2 0.908 115.3 57.0 -74.9 -41.7 -10.5 3.0 -4.0 17 17 A V H < S+ 0 0 14 -4,-1.8 45,-1.7 1,-0.2 49,-0.4 0.925 116.0 38.7 -54.7 -45.2 -7.5 4.7 -2.3 18 18 A Q H < S- 0 0 82 -4,-3.4 -2,-0.2 43,-0.2 -1,-0.2 0.965 141.7 -63.0 -69.2 -51.5 -8.4 7.8 -4.3 19 19 A G H < S+ 0 0 55 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 -0.190 86.3 99.4 162.1 99.6 -12.1 7.4 -4.0 20 20 A G < - 0 0 28 -4,-0.6 2,-0.1 -2,-0.1 -4,-0.0 -0.977 62.0 -74.6-176.0 177.5 -14.3 4.5 -5.2 21 21 A P S S- 0 0 120 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.283 86.1 -9.3 -84.6 177.7 -16.1 1.2 -4.4 22 22 A G - 0 0 39 1,-0.2 2,-0.2 -6,-0.1 -2,-0.1 -0.704 65.4-124.5 82.2-126.5 -14.5 -2.2 -3.9 23 23 A P - 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -10,-0.1 0.544 46.4 -99.2 -72.3-179.3 -11.6 -2.2 -4.6 24 24 A S > - 0 0 61 -12,-0.5 4,-1.6 -2,-0.2 3,-0.5 -0.131 27.9-105.7 -66.0 164.0 -11.6 -5.1 -7.1 25 25 A G H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.876 120.2 65.2 -56.9 -36.8 -10.6 -8.7 -6.2 26 26 A Q H > S+ 0 0 122 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.937 101.5 49.3 -51.1 -47.3 -7.4 -8.1 -8.1 27 27 A b H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.936 107.0 54.9 -58.0 -45.6 -6.5 -5.5 -5.5 28 28 A c H X S+ 0 0 30 -4,-1.6 4,-1.9 2,-0.3 5,-0.3 0.922 109.3 46.4 -55.2 -44.2 -7.4 -8.1 -2.7 29 29 A D H X S+ 0 0 76 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.957 112.3 52.6 -58.9 -45.0 -4.9 -10.5 -4.4 30 30 A G H X S+ 0 0 1 -4,-3.1 4,-3.4 -5,-0.3 -2,-0.3 0.875 104.8 56.6 -51.8 -40.4 -2.6 -7.5 -4.5 31 31 A V H X S+ 0 0 13 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.981 109.3 41.8 -62.1 -58.0 -3.1 -6.9 -0.7 32 32 A K H X S+ 0 0 97 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.896 116.3 52.3 -57.1 -37.6 -2.0 -10.4 0.4 33 33 A N H X S+ 0 0 37 -4,-2.5 4,-3.4 -5,-0.3 5,-0.3 0.953 108.5 49.0 -62.5 -47.9 0.9 -10.0 -2.1 34 34 A L H X S+ 0 0 45 -4,-3.4 4,-3.4 1,-0.2 -2,-0.2 0.973 112.4 48.6 -55.0 -54.8 1.9 -6.6 -0.7 35 35 A H H < S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.912 115.4 45.8 -48.0 -46.8 1.9 -8.1 2.8 36 36 A N H < S+ 0 0 115 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.890 116.7 42.7 -67.1 -40.2 3.9 -11.0 1.5 37 37 A Q H >< S+ 0 0 21 -4,-3.4 2,-2.6 1,-0.2 3,-0.6 0.955 102.5 69.1 -69.9 -49.0 6.4 -8.9 -0.5 38 38 A A T 3< S+ 0 0 11 -4,-3.4 -1,-0.2 -5,-0.3 3,-0.0 -0.384 76.0 93.7 -72.0 72.4 6.8 -6.3 2.2 39 39 A R T 3 + 0 0 127 -2,-2.6 -1,-0.2 -3,-0.1 -2,-0.1 0.652 58.5 73.4-129.9 -49.3 8.7 -8.5 4.7 40 40 A S S <> S- 0 0 60 -3,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.235 88.8-112.8 -62.2 164.5 12.5 -8.3 4.5 41 41 A Q H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.959 119.4 52.4 -66.2 -47.1 14.0 -5.0 5.9 42 42 A S H > S+ 0 0 66 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.918 106.1 55.9 -49.2 -46.0 15.0 -3.9 2.4 43 43 A D H > S+ 0 0 33 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.922 104.9 50.5 -57.6 -47.2 11.5 -4.5 1.2 44 44 A R H X S+ 0 0 25 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.918 113.3 47.3 -56.3 -42.2 10.0 -2.2 3.8 45 45 A Q H X S+ 0 0 55 -4,-2.1 4,-2.9 45,-0.2 -2,-0.2 0.972 115.3 43.9 -64.0 -52.0 12.4 0.5 2.7 46 46 A S H X S+ 0 0 24 -4,-3.2 4,-3.2 2,-0.2 -2,-0.2 0.944 116.2 46.3 -59.7 -49.7 11.7 -0.0 -1.0 47 47 A A H X S+ 0 0 13 -4,-3.4 4,-3.0 1,-0.2 -1,-0.2 0.952 112.8 51.1 -57.2 -49.4 7.9 -0.2 -0.5 48 48 A d H X S+ 0 0 1 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.919 112.7 45.2 -54.3 -47.3 8.0 2.9 1.8 49 49 A N H X S+ 0 0 108 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.956 110.1 54.6 -62.2 -46.6 10.0 4.8 -0.8 50 50 A a H X S+ 0 0 5 -4,-3.2 4,-3.1 1,-0.2 3,-0.4 0.934 112.3 45.2 -48.6 -49.3 7.7 3.6 -3.6 51 51 A L H <>S+ 0 0 28 -4,-3.0 5,-1.2 1,-0.2 6,-0.4 0.962 108.7 53.3 -59.4 -53.8 4.8 5.0 -1.5 52 52 A K H <5S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.755 117.6 41.4 -58.8 -21.4 6.6 8.3 -0.7 53 53 A G H <5S+ 0 0 44 -4,-2.1 4,-0.4 -3,-0.4 -1,-0.2 0.887 122.2 35.2 -82.9 -45.7 7.0 8.7 -4.5 54 54 A I T X5S+ 0 0 41 -4,-3.1 4,-2.2 -5,-0.2 -3,-0.2 0.997 124.7 21.1 -81.6 -74.9 3.6 7.4 -5.8 55 55 A A T 45S+ 0 0 8 -4,-0.4 -3,-0.1 2,-0.2 -4,-0.1 0.925 122.4 54.9 -71.0 -41.8 0.6 8.3 -3.6 56 56 A R T 4 + 0 0 68 -45,-1.7 4,-2.1 -2,-0.3 3,-0.2 -0.733 25.7 169.5-119.6 82.7 -7.8 9.6 0.5 63 63 A E H > S+ 0 0 49 -2,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.868 80.3 57.2 -56.6 -39.0 -5.5 7.5 2.7 64 64 A D H > S+ 0 0 93 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.905 105.7 50.2 -68.3 -35.7 -8.1 7.3 5.6 65 65 A N H >4 S+ 0 0 35 -3,-0.2 3,-2.4 1,-0.2 4,-0.3 0.980 106.6 56.2 -56.8 -52.5 -10.5 5.6 3.2 66 66 A A H >< S+ 0 0 11 -4,-2.1 3,-2.9 -49,-0.4 -2,-0.2 0.812 88.7 77.0 -50.7 -33.0 -7.7 3.2 2.2 67 67 A R H 3< S+ 0 0 75 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.855 89.1 58.8 -40.8 -42.2 -7.5 2.3 5.9 68 68 A S T << S+ 0 0 50 -3,-2.4 -1,-0.3 -4,-0.6 -2,-0.2 0.634 82.2 86.0 -67.3 -15.8 -10.6 0.2 5.3 69 69 A I S <> S+ 0 0 16 -3,-2.9 4,-1.1 -4,-0.3 5,-0.3 0.962 89.6 44.2 -56.3 -62.4 -9.0 -2.0 2.6 70 70 A P H >>S+ 0 0 23 0, 0.0 2,-2.7 0, 0.0 4,-1.5 0.923 108.4 56.3 -51.3 -54.2 -7.4 -4.6 4.9 71 71 A P H 45S+ 0 0 103 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.367 109.4 49.9 -76.3 68.8 -10.4 -5.1 7.3 72 72 A K H 45S+ 0 0 110 -2,-2.7 -3,-0.1 -3,-0.2 -4,-0.0 0.156 110.9 35.9-162.2 -61.1 -12.7 -6.0 4.4 73 73 A c H <5S- 0 0 76 -4,-1.1 -4,-0.1 -3,-0.2 -45,-0.0 0.887 118.8-101.7 -70.7 -37.2 -11.2 -8.7 2.1 74 74 A G T <5S+ 0 0 66 -4,-1.5 2,-0.3 1,-0.3 -5,-0.0 0.739 79.5 97.2 119.4 65.8 -9.7 -10.3 5.3 75 75 A V < - 0 0 37 -5,-1.2 -1,-0.3 -6,-0.1 2,-0.3 -0.966 48.3-142.2-170.6 158.6 -6.0 -9.5 5.7 76 76 A N - 0 0 115 -2,-0.3 -41,-0.0 -5,-0.1 3,-0.0 -0.877 9.1-137.5-135.2 166.6 -3.5 -7.2 7.5 77 77 A L - 0 0 49 -2,-0.3 3,-0.1 1,-0.1 -42,-0.1 -0.800 29.5-114.9-117.4 159.0 -0.2 -5.4 6.8 78 78 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.869 107.7 0.7 -62.5 -30.8 3.0 -5.0 9.0 79 79 A Y S S- 0 0 42 1,-0.2 3,-0.1 8,-0.0 6,-0.0 -0.973 75.3-126.2-148.5 159.1 2.0 -1.2 8.9 80 80 A T - 0 0 61 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.992 65.9 -48.1 -74.2 -76.8 -0.9 0.6 7.3 81 81 A I - 0 0 33 -30,-0.0 2,-0.8 5,-0.0 4,-0.4 -0.968 36.1-123.9-163.8 143.1 0.5 3.5 5.0 82 82 A S S S+ 0 0 7 -2,-0.3 5,-0.1 3,-0.2 -26,-0.0 -0.224 88.5 84.3 -93.0 48.9 3.0 6.4 5.2 83 83 A L S S+ 0 0 45 -2,-0.8 -1,-0.2 3,-0.1 4,-0.1 0.793 115.8 2.3-104.6 -57.8 0.7 9.3 4.3 84 84 A N S S+ 0 0 123 -3,-0.3 -2,-0.1 2,-0.1 2,-0.0 0.096 141.3 39.4-111.7 21.2 -0.8 10.1 7.8 85 85 A I S S- 0 0 92 -4,-0.4 2,-0.3 -6,-0.0 -3,-0.2 0.279 101.2 -69.5-130.0 -99.4 1.2 7.4 9.7 86 86 A D - 0 0 96 -5,-0.4 -3,-0.1 1,-0.1 -2,-0.1 -0.995 27.4-105.6-164.9 157.7 4.9 6.6 9.1 87 87 A d - 0 0 22 -2,-0.3 3,-0.2 -5,-0.1 -39,-0.1 0.666 45.6-144.9 -59.3 -19.6 7.6 5.1 6.8 88 88 A S - 0 0 22 1,-0.2 2,-2.7 -7,-0.1 -40,-0.1 0.960 14.7-164.8 54.1 56.7 7.9 2.0 9.1 89 89 A R 0 0 194 -41,-0.0 -1,-0.2 -44,-0.0 -2,-0.1 -0.402 360.0 360.0 -74.7 69.9 11.7 1.7 8.5 90 90 A V 0 0 103 -2,-2.7 -45,-0.2 -3,-0.2 -46,-0.2 -0.600 360.0 360.0 -74.4 360.0 11.8 -1.8 9.9