==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 29-OCT-00 1GH1 . COMPND 2 MOLECULE: NONSPECIFIC LIPID TRANSFER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR E.GINCEL,J.P.SIMORRE,A.CAILLE,D.MARION,M.PTAK,F.VOVELLE . 90 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 63.3 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 . 5 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 1 1 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 0 104 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.0 -2.4 6.4 13.3 2 2 A D - 0 0 158 1,-0.1 44,-0.0 45,-0.0 45,-0.0 -0.207 360.0 -85.6 -97.8 46.7 -5.3 8.2 11.7 3 3 A a S S+ 0 0 42 -2,-0.4 -1,-0.1 1,-0.1 44,-0.0 0.975 94.7 123.0 50.9 63.7 -3.9 7.8 8.1 4 4 A G S S+ 0 0 64 3,-0.0 4,-0.4 4,-0.0 -1,-0.1 0.699 81.5 19.6-117.4 -45.0 -1.7 10.9 8.2 5 5 A H S > S+ 0 0 129 2,-0.1 4,-1.2 1,-0.1 3,-0.2 0.759 115.0 67.5 -98.8 -31.7 1.9 9.6 7.5 6 6 A V H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.854 93.5 63.6 -57.4 -34.7 0.9 6.3 5.9 7 7 A D H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.969 104.9 41.7 -54.5 -57.0 -0.6 8.2 2.9 8 8 A S H 4 S+ 0 0 81 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.735 111.4 60.7 -64.7 -21.2 2.7 9.7 1.8 9 9 A L H < S+ 0 0 19 -4,-1.2 -1,-0.2 1,-0.2 4,-0.2 0.941 115.5 28.9 -73.7 -46.6 4.4 6.4 2.4 10 10 A V H >X S+ 0 0 9 -4,-2.2 3,-1.2 -3,-0.2 4,-1.0 0.640 102.1 85.7 -87.3 -15.9 2.3 4.4 -0.1 11 11 A R H >X S+ 0 0 110 -4,-1.9 3,-1.0 -5,-0.3 4,-0.7 0.914 85.9 54.1 -52.0 -47.4 1.8 7.5 -2.3 12 12 A P H 34 S+ 0 0 26 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.749 102.2 58.8 -59.2 -25.2 5.1 6.8 -4.2 13 13 A b H X> S+ 0 0 2 -3,-1.2 4,-1.5 -4,-0.2 3,-1.4 0.769 92.5 67.5 -77.7 -22.5 4.0 3.3 -5.0 14 14 A L H S+ 0 0 43 -3,-1.4 3,-1.9 -4,-0.2 4,-0.6 0.829 109.7 60.5 -97.2 -43.9 3.7 2.5 -10.8 17 17 A V H 3< S+ 0 0 1 -4,-1.5 45,-0.6 1,-0.3 48,-0.2 0.814 94.6 66.1 -53.4 -33.3 0.2 1.1 -10.2 18 18 A Q T 3< S- 0 0 127 -4,-2.2 -1,-0.3 43,-0.1 -2,-0.1 0.780 123.2-101.3 -63.0 -24.0 -1.2 3.8 -12.6 19 19 A G T <4 S+ 0 0 53 -3,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.759 86.4 99.9 105.1 39.0 0.7 2.0 -15.4 20 20 A G S < S- 0 0 25 -4,-0.6 -1,-0.3 -5,-0.5 2,-0.2 -0.680 82.7 -51.3-135.6-170.2 3.7 4.3 -15.9 21 21 A P S S- 0 0 128 0, 0.0 -3,-0.1 0, 0.0 -1,-0.0 -0.506 90.4 -3.6 -69.7 132.9 7.4 4.4 -14.9 22 22 A G - 0 0 31 -2,-0.2 2,-0.2 -6,-0.1 -9,-0.1 -0.991 23.3-149.6 162.5-160.7 7.9 3.8 -11.2 23 23 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -10,-0.1 -0.605 62.0-118.3 -73.2 -61.4 7.2 3.4 -8.4 24 24 A S >> - 0 0 42 -2,-0.2 4,-0.9 -11,-0.0 3,-0.6 -0.885 22.6 -94.5 170.6 161.8 10.3 5.1 -6.9 25 25 A G H 3> S+ 0 0 64 -2,-0.2 4,-0.9 1,-0.2 5,-0.2 0.591 126.5 57.4 -70.8 -5.1 13.3 4.4 -4.7 26 26 A Q H 3>>S+ 0 0 136 3,-0.2 4,-2.3 2,-0.2 5,-0.7 0.713 90.7 69.4 -94.2 -28.2 10.9 5.7 -1.9 27 27 A b H <>5S+ 0 0 0 -3,-0.6 4,-1.7 -15,-0.2 5,-0.4 0.945 108.7 35.1 -57.8 -44.6 8.2 3.1 -2.6 28 28 A c H X5S+ 0 0 21 -4,-0.9 4,-2.4 2,-0.2 5,-0.3 0.976 128.0 34.9 -76.1 -52.5 10.4 0.2 -1.3 29 29 A D H X5S+ 0 0 105 -4,-0.9 4,-2.3 2,-0.2 5,-0.2 0.955 122.8 48.2 -65.7 -46.5 12.3 2.1 1.5 30 30 A G H X5S+ 0 0 15 -4,-2.3 4,-1.7 1,-0.2 -3,-0.2 0.945 119.7 35.2 -60.5 -51.3 9.2 4.2 2.3 31 31 A V H X S- 0 0 63 -3,-0.2 4,-1.1 1,-0.1 3,-0.3 -0.852 87.8-117.8-120.8 158.9 0.2 -4.0 15.8 41 41 A Q H > S+ 0 0 110 -2,-0.3 4,-3.0 1,-0.2 3,-0.4 0.879 113.4 64.5 -60.1 -35.2 -3.1 -4.7 14.1 42 42 A S H > S+ 0 0 65 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.911 101.0 46.1 -54.2 -50.7 -3.8 -1.0 14.3 43 43 A D H > S+ 0 0 11 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.748 115.1 48.6 -70.3 -19.5 -1.0 -0.0 12.0 44 44 A R H X S+ 0 0 66 -4,-1.1 4,-1.4 -3,-0.4 -2,-0.2 0.886 116.1 42.1 -85.4 -38.7 -2.1 -2.7 9.5 45 45 A Q H X S+ 0 0 78 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.935 115.3 49.8 -73.0 -44.9 -5.8 -1.7 9.6 46 46 A S H X S+ 0 0 26 -4,-3.1 4,-1.4 -5,-0.3 3,-0.5 0.977 111.0 47.6 -59.7 -54.3 -5.0 2.1 9.5 47 47 A A H X S+ 0 0 1 -4,-1.1 4,-1.7 -5,-0.3 5,-0.3 0.888 107.1 58.0 -54.9 -40.7 -2.7 1.8 6.5 48 48 A d H X S+ 0 0 4 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.915 102.6 54.7 -56.2 -42.6 -5.2 -0.4 4.7 49 49 A N H X S+ 0 0 98 -4,-1.8 4,-2.8 -3,-0.5 5,-0.3 0.887 104.0 56.3 -59.9 -37.5 -7.7 2.5 5.0 50 50 A a H X S+ 0 0 3 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.974 112.3 37.7 -58.7 -60.9 -5.3 4.9 3.4 51 51 A L H X S+ 0 0 1 -4,-1.7 4,-3.3 1,-0.2 5,-0.4 0.901 115.6 57.9 -60.6 -38.8 -4.8 2.9 0.1 52 52 A K H X S+ 0 0 80 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.970 106.6 44.4 -57.6 -57.7 -8.5 2.0 0.2 53 53 A G H < S+ 0 0 44 -4,-2.8 4,-0.3 2,-0.2 -1,-0.2 0.867 120.9 44.7 -54.3 -36.3 -9.9 5.5 0.2 54 54 A I H >X S+ 0 0 23 -4,-1.8 3,-3.0 -5,-0.3 4,-0.6 0.989 111.2 47.5 -70.3 -66.6 -7.3 6.3 -2.5 55 55 A A H >< S+ 0 0 3 -4,-3.3 3,-2.0 1,-0.3 -2,-0.2 0.859 100.3 71.6 -44.7 -40.0 -7.7 3.3 -4.8 56 56 A R T 3< S+ 0 0 201 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.759 100.9 44.2 -51.3 -27.5 -11.5 3.8 -4.6 57 57 A G T <4 S+ 0 0 66 -3,-3.0 2,-0.9 -4,-0.3 -1,-0.3 0.525 88.9 100.5 -96.3 -8.4 -11.0 6.9 -6.8 58 58 A I X< - 0 0 61 -3,-2.0 3,-0.7 -4,-0.6 -4,-0.0 -0.669 48.0-178.8 -81.9 108.1 -8.6 5.2 -9.3 59 59 A H T 3 S+ 0 0 189 -2,-0.9 2,-0.9 1,-0.2 -1,-0.2 0.979 82.2 37.2 -71.7 -55.6 -10.8 4.3 -12.3 60 60 A N T 3 S+ 0 0 139 2,-0.0 -1,-0.2 -42,-0.0 -2,-0.0 -0.240 85.6 168.4 -93.8 51.5 -8.1 2.6 -14.4 61 61 A L < - 0 0 46 -2,-0.9 2,-0.5 -3,-0.7 -43,-0.1 -0.321 26.2-142.1 -62.2 141.1 -6.4 1.0 -11.4 62 62 A N > - 0 0 45 -45,-0.6 4,-1.5 1,-0.2 19,-0.1 -0.941 18.2-173.9-112.3 122.7 -3.8 -1.6 -12.4 63 63 A E H > S+ 0 0 84 -2,-0.5 4,-2.9 2,-0.2 5,-0.4 0.884 82.6 64.7 -79.5 -39.4 -3.5 -4.8 -10.2 64 64 A D H > S+ 0 0 102 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.906 112.4 33.3 -49.1 -49.8 -0.5 -6.1 -12.1 65 65 A N H > S+ 0 0 15 -48,-0.2 4,-0.8 2,-0.2 3,-0.5 0.951 115.5 56.2 -75.2 -49.6 1.7 -3.2 -11.0 66 66 A A H < S+ 0 0 0 -4,-1.5 3,-0.4 1,-0.3 -2,-0.2 0.856 115.9 39.2 -49.0 -40.0 0.1 -2.8 -7.5 67 67 A R H < S+ 0 0 165 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.696 109.7 61.9 -84.9 -20.3 0.9 -6.4 -6.8 68 68 A S H X S+ 0 0 38 -4,-0.9 4,-0.7 -3,-0.5 -2,-0.2 0.452 86.7 77.5 -84.8 -0.1 4.3 -6.1 -8.5 69 69 A I H >X S+ 0 0 9 -4,-0.8 4,-1.4 -3,-0.4 3,-0.6 0.992 98.3 37.2 -71.9 -63.8 5.5 -3.5 -6.0 70 70 A P H 3>>S+ 0 0 18 0, 0.0 5,-1.8 0, 0.0 4,-1.7 0.868 117.0 49.9 -57.1 -44.3 6.3 -5.8 -3.0 71 71 A P H 345S+ 0 0 92 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.731 109.1 57.0 -67.7 -24.2 7.7 -8.8 -5.1 72 72 A K H <<5S+ 0 0 109 -4,-0.7 -3,-0.1 -3,-0.6 -4,-0.0 0.997 123.1 17.1 -68.8 -71.1 10.0 -6.4 -7.0 73 73 A c H <5S- 0 0 73 -4,-1.4 -1,-0.1 -5,-0.2 -4,-0.1 0.911 110.4-110.3 -69.9 -44.2 12.0 -4.8 -4.2 74 74 A G T <5S+ 0 0 51 -4,-1.7 -5,-0.0 -5,-0.5 -2,-0.0 0.711 75.6 130.5 112.2 45.8 11.1 -7.4 -1.6 75 75 A V < - 0 0 10 -5,-1.8 -6,-0.0 -6,-0.2 -47,-0.0 0.808 45.6-159.1 -95.3 -36.3 8.8 -5.5 0.7 76 76 A N - 0 0 123 -6,-0.5 0, 0.0 1,-0.1 0, 0.0 0.983 12.0-167.2 55.2 80.8 6.0 -8.1 0.7 77 77 A L - 0 0 31 -10,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.698 27.3-137.5 -97.7 154.0 2.9 -6.1 1.8 78 78 A P S S+ 0 0 39 0, 0.0 9,-0.3 0, 0.0 2,-0.3 0.235 90.4 22.0 -89.9 12.5 -0.4 -7.7 2.9 79 79 A Y + 0 0 11 6,-0.1 2,-0.2 -13,-0.1 4,-0.1 -0.951 63.3 176.7-170.3 151.9 -2.3 -5.0 0.9 80 80 A T - 0 0 22 -2,-0.3 2,-2.4 2,-0.2 4,-0.1 -0.703 59.3 -50.1-143.6-163.9 -1.7 -2.6 -2.1 81 81 A I S S+ 0 0 1 -2,-0.2 2,-0.3 -15,-0.1 -15,-0.2 -0.466 106.9 83.5 -77.5 73.3 -3.6 -0.0 -4.2 82 82 A S S S- 0 0 5 -2,-2.4 3,-0.2 -16,-0.1 -2,-0.2 -0.972 81.8-117.9-162.3 169.7 -6.5 -2.5 -4.8 83 83 A L S S+ 0 0 102 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 -0.352 83.1 99.8-113.9 51.1 -9.7 -3.9 -3.2 84 84 A N + 0 0 103 -4,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.016 69.4 69.5-121.9 25.4 -8.6 -7.5 -3.0 85 85 A I - 0 0 40 -3,-0.2 -6,-0.1 1,-0.1 -3,-0.0 -0.925 54.8-156.3-140.1 165.8 -7.6 -7.6 0.7 86 86 A D - 0 0 128 -2,-0.3 -1,-0.1 -8,-0.2 -7,-0.1 0.730 16.0-157.5-109.8 -38.2 -9.2 -7.5 4.2 87 87 A d + 0 0 1 -9,-0.3 3,-0.2 1,-0.1 -39,-0.1 0.666 64.4 110.4 62.0 19.1 -6.3 -6.3 6.4 88 88 A S S S+ 0 0 61 1,-0.2 -43,-0.1 -43,-0.0 -1,-0.1 0.893 87.4 20.7 -86.7 -47.0 -8.2 -7.9 9.3 89 89 A R 0 0 236 -45,-0.1 -1,-0.2 -48,-0.0 -2,-0.1 -0.282 360.0 360.0-117.3 44.5 -5.8 -10.9 10.0 90 90 A V 0 0 65 -3,-0.2 -46,-0.1 -49,-0.1 -45,-0.1 -0.876 360.0 360.0-112.9 360.0 -2.6 -9.6 8.4