==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 29-AUG-10 3ONJ . COMPND 2 MOLECULE: T-SNARE VTI1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.WANG,P.FANG,L.NIU,M.TENG . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 84.5 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 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 3 A S > 0 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 160.4 7.5 -17.5 7.2 2 4 A L H > + 0 0 96 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.936 360.0 55.6 -60.0 -46.0 6.0 -14.5 5.4 3 5 A L H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 108.0 47.0 -54.0 -46.9 9.5 -12.9 5.1 4 6 A I H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.902 108.5 56.3 -64.3 -38.5 10.9 -16.0 3.4 5 7 A S H X S+ 0 0 57 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.906 109.5 46.3 -59.3 -39.1 7.9 -16.1 1.0 6 8 A Y H X S+ 0 0 46 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.896 110.2 52.6 -70.6 -42.2 8.7 -12.5 -0.0 7 9 A E H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 111.9 45.1 -58.2 -48.0 12.4 -13.1 -0.5 8 10 A S H X S+ 0 0 68 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.890 113.2 50.6 -63.8 -39.7 11.8 -16.1 -2.8 9 11 A D H X S+ 0 0 77 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.911 111.0 50.2 -64.7 -42.0 9.1 -14.2 -4.7 10 12 A F H X S+ 0 0 4 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.949 112.5 45.3 -59.1 -52.0 11.5 -11.2 -5.1 11 13 A K H X S+ 0 0 112 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.898 115.8 46.0 -62.6 -42.0 14.4 -13.4 -6.4 12 14 A T H X S+ 0 0 61 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.898 114.2 48.0 -69.0 -41.7 12.1 -15.4 -8.8 13 15 A T H X S+ 0 0 5 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.909 111.0 51.1 -64.6 -42.8 10.5 -12.3 -10.1 14 16 A L H X S+ 0 0 22 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.935 110.6 49.2 -60.9 -45.6 13.8 -10.5 -10.6 15 17 A E H X S+ 0 0 138 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.914 112.5 47.2 -58.6 -45.2 15.1 -13.5 -12.6 16 18 A Q H X S+ 0 0 94 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 112.6 49.8 -63.8 -44.8 12.0 -13.6 -14.8 17 19 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.898 109.9 50.2 -60.5 -45.1 12.2 -9.9 -15.4 18 20 A K H X S+ 0 0 88 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.873 110.6 50.4 -61.7 -38.2 15.9 -10.0 -16.4 19 21 A A H X S+ 0 0 50 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.911 111.1 47.2 -69.4 -41.9 15.2 -12.9 -18.8 20 22 A S H X S+ 0 0 23 -4,-2.3 4,-1.9 2,-0.2 3,-0.3 0.920 112.4 50.4 -63.1 -44.1 12.3 -11.0 -20.5 21 23 A L H < S+ 0 0 13 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.877 108.1 53.2 -62.3 -37.4 14.5 -7.9 -20.8 22 24 A A H < S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 112.5 44.8 -67.8 -29.2 17.3 -9.9 -22.3 23 25 A E H >< S+ 0 0 111 -4,-1.4 3,-2.1 -3,-0.3 -2,-0.2 0.803 94.9 80.5 -78.8 -31.8 14.9 -11.3 -24.9 24 26 A A G >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.3 -2,-0.2 0.787 80.3 62.2 -50.8 -42.8 13.3 -7.9 -25.7 25 27 A P G 3 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.696 101.8 54.5 -60.6 -17.0 16.0 -6.6 -28.0 26 28 A S G < S+ 0 0 102 -3,-2.1 -2,-0.2 -4,-0.1 -3,-0.1 0.389 92.8 92.0 -96.7 3.0 15.4 -9.4 -30.5 27 29 A Q S < S- 0 0 19 -3,-2.1 5,-0.0 -4,-0.2 6,-0.0 -0.803 84.3-107.8-103.1 138.8 11.6 -8.7 -30.8 28 30 A P >> - 0 0 91 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.297 45.6-101.7 -54.8 149.2 10.0 -6.4 -33.4 29 31 A L H 3> S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.770 117.1 55.3 -54.7 -39.6 8.8 -3.2 -31.7 30 32 A S H 3> S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.952 117.0 37.0 -60.7 -47.0 5.1 -4.0 -31.4 31 33 A Q H <> S+ 0 0 104 -3,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.891 114.5 57.2 -67.9 -40.1 5.8 -7.2 -29.5 32 34 A R H X S+ 0 0 45 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.896 101.3 56.8 -57.9 -41.2 8.7 -5.5 -27.7 33 35 A N H X S+ 0 0 84 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.918 108.7 46.5 -56.6 -44.6 6.4 -2.9 -26.4 34 36 A T H X S+ 0 0 92 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.930 112.1 50.1 -64.3 -46.8 4.2 -5.6 -24.8 35 37 A T H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.923 109.8 50.6 -57.2 -47.0 7.3 -7.4 -23.3 36 38 A L H X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.845 106.1 54.8 -63.9 -35.4 8.6 -4.1 -21.8 37 39 A K H X S+ 0 0 118 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.888 108.7 49.8 -62.8 -36.8 5.3 -3.3 -20.2 38 40 A H H X S+ 0 0 82 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.918 110.2 49.4 -66.3 -43.6 5.5 -6.7 -18.6 39 41 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.898 110.2 52.1 -59.3 -41.0 9.0 -6.0 -17.4 40 42 A E H X S+ 0 0 74 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.900 108.3 50.4 -64.9 -39.0 7.8 -2.7 -16.0 41 43 A Q H X S+ 0 0 103 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.914 111.3 48.3 -62.9 -42.0 5.0 -4.4 -14.1 42 44 A Q H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.893 106.8 56.3 -67.7 -38.2 7.5 -6.8 -12.6 43 45 A Q H X S+ 0 0 24 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.934 108.8 47.9 -54.5 -46.0 9.8 -3.9 -11.7 44 46 A D H X S+ 0 0 91 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.899 108.7 53.1 -62.7 -40.6 6.8 -2.5 -9.8 45 47 A E H X S+ 0 0 61 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.880 106.4 54.6 -61.1 -39.1 6.2 -5.9 -8.1 46 48 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.909 109.7 44.8 -60.3 -47.1 9.8 -5.9 -7.0 47 49 A F H X S+ 0 0 50 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.887 112.4 53.7 -61.9 -41.2 9.4 -2.5 -5.3 48 50 A D H X S+ 0 0 90 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.908 108.9 48.4 -57.1 -45.8 6.1 -3.8 -3.8 49 51 A L H X S+ 0 0 6 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.904 108.2 53.8 -64.9 -40.7 8.0 -6.8 -2.4 50 52 A L H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.913 108.8 50.1 -56.7 -45.5 10.7 -4.6 -0.9 51 53 A D H X S+ 0 0 95 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.920 111.3 48.2 -58.0 -46.8 8.0 -2.5 0.8 52 54 A Q H X S+ 0 0 89 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.891 112.1 49.3 -63.5 -39.9 6.4 -5.7 2.2 53 55 A M H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.912 107.6 54.0 -65.8 -41.9 9.8 -7.0 3.4 54 56 A D H X S+ 0 0 78 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.924 112.7 44.4 -54.1 -47.8 10.7 -3.7 5.1 55 57 A V H X S+ 0 0 85 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.921 115.3 47.2 -65.3 -44.8 7.4 -3.8 7.1 56 58 A E H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.855 112.1 49.2 -69.0 -36.5 7.8 -7.5 7.9 57 59 A V H X S+ 0 0 3 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.959 111.9 49.9 -62.9 -48.4 11.4 -7.1 9.0 58 60 A N H < S+ 0 0 130 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.850 117.9 40.4 -57.5 -36.3 10.3 -4.1 11.2 59 61 A N H < S+ 0 0 114 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.776 125.3 29.3 -85.0 -29.5 7.5 -6.2 12.7 60 62 A S H < S+ 0 0 74 -4,-2.2 2,-0.7 1,-0.1 -3,-0.2 0.581 101.8 73.0-114.7 -12.7 9.2 -9.6 13.2 61 63 A I < + 0 0 32 -4,-2.2 -1,-0.1 -5,-0.3 6,-0.0 -0.849 46.9 168.6-113.1 99.9 12.9 -9.1 13.8 62 64 A G + 0 0 79 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.793 45.8 98.7 -83.4 -31.1 13.6 -7.6 17.2 63 65 A D > - 0 0 56 1,-0.1 4,-2.2 2,-0.1 5,-0.2 -0.441 66.7-145.8 -61.9 122.1 17.3 -8.0 17.5 64 66 A A H > S+ 0 0 84 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.845 96.9 45.5 -60.1 -39.0 18.9 -4.6 16.6 65 67 A S H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 113.8 47.6 -72.3 -42.3 22.0 -6.1 15.0 66 68 A E H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.794 110.6 53.4 -71.1 -28.8 20.0 -8.7 13.0 67 69 A R H X S+ 0 0 26 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.921 106.7 51.9 -67.1 -44.5 17.6 -6.0 11.9 68 70 A A H X S+ 0 0 60 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.864 109.3 51.2 -60.3 -37.1 20.5 -3.9 10.6 69 71 A T H X S+ 0 0 100 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.924 111.5 45.7 -65.5 -46.7 21.7 -6.9 8.6 70 72 A Y H X S+ 0 0 38 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.910 111.9 53.0 -62.5 -39.4 18.4 -7.4 7.0 71 73 A K H X S+ 0 0 62 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.849 107.2 50.7 -68.7 -33.7 18.1 -3.7 6.3 72 74 A A H X S+ 0 0 63 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.896 110.1 50.8 -66.8 -40.1 21.5 -3.7 4.6 73 75 A K H X S+ 0 0 72 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.927 110.2 48.7 -63.1 -43.5 20.4 -6.6 2.4 74 76 A L H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.871 109.1 53.4 -67.5 -36.2 17.2 -4.9 1.4 75 77 A R H X S+ 0 0 75 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.909 109.8 47.4 -63.7 -42.8 19.0 -1.7 0.5 76 78 A E H X S+ 0 0 97 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.855 109.4 55.0 -66.1 -32.4 21.4 -3.8 -1.8 77 79 A W H X S+ 0 0 37 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.866 105.3 52.0 -68.7 -35.5 18.3 -5.4 -3.3 78 80 A K H X S+ 0 0 106 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.925 109.1 49.9 -64.1 -43.3 16.8 -2.0 -4.1 79 81 A K H X S+ 0 0 109 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.813 106.6 57.3 -61.8 -31.0 20.1 -1.1 -5.8 80 82 A T H X S+ 0 0 28 -4,-1.5 4,-3.1 2,-0.2 5,-0.5 0.859 101.8 53.3 -71.2 -35.7 19.8 -4.4 -7.7 81 83 A I H X>S+ 0 0 0 -4,-1.6 5,-2.6 2,-0.2 4,-1.8 0.914 112.9 46.8 -59.8 -41.5 16.4 -3.5 -9.1 82 84 A Q H <>S+ 0 0 78 -4,-1.6 5,-2.6 3,-0.2 -2,-0.2 0.931 119.6 37.1 -68.0 -43.5 18.2 -0.3 -10.3 83 85 A S H <5S+ 0 0 45 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.861 126.3 34.7 -78.5 -36.2 21.2 -2.0 -11.8 84 86 A D H <5S+ 0 0 45 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.725 135.1 11.2 -95.5 -25.6 19.6 -5.2 -13.2 85 87 A I T X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.5 5,-0.3 0.732 123.9 44.7-115.1 -60.7 16.2 -3.9 -14.4 86 88 A K H > S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.881 115.5 49.0 -63.0 -38.8 19.1 -1.9 -18.7 89 91 A L H X S+ 0 0 12 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.941 112.0 48.0 -63.1 -49.1 15.4 -1.2 -19.5 90 92 A Q H X S+ 0 0 41 -4,-2.7 4,-1.8 -5,-0.3 5,-0.3 0.871 111.5 50.5 -59.5 -40.6 16.1 2.6 -19.8 91 93 A S H X S+ 0 0 64 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.876 110.3 50.3 -65.3 -40.5 19.1 1.9 -22.0 92 94 A L H < S+ 0 0 29 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.890 115.6 40.7 -65.0 -41.8 17.0 -0.3 -24.3 93 95 A V H < S+ 0 0 78 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.787 126.4 33.8 -80.8 -24.4 14.2 2.2 -24.7 94 96 A D H < S+ 0 0 135 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.799 135.1 19.5 -97.9 -35.3 16.4 5.3 -25.0 95 97 A S S < S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.1 -0.161 79.5 125.6-130.7 40.9 19.5 4.0 -26.8 96 98 A G 0 0 38 -4,-0.5 -4,-0.1 1,-0.2 -1,-0.1 -0.129 360.0 360.0 -95.7 37.6 18.3 0.8 -28.4 97 99 A D 0 0 212 -2,-0.1 -1,-0.2 -3,-0.0 -5,-0.1 0.512 360.0 360.0 -90.1 360.0 19.4 1.7 -31.9