==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING/TOXIN 23-AUG-11 3TJ5 . COMPND 2 MOLECULE: VINCULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.PARK,J.H.LEE,E.GOUIN,P.COSSART,T.IZARD . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 81.9 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 . 2 0.7 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 . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 72.2 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+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 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 1 0 3 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 . 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 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 2 A P 0 0 110 0, 0.0 2,-0.1 0, 0.0 253,-0.1 0.000 360.0 360.0 360.0 -1.6 -27.5 -20.7 27.3 2 3 A V - 0 0 72 1,-0.1 2,-0.3 2,-0.0 180,-0.0 -0.446 360.0-121.8 -74.4 147.7 -24.7 -19.3 25.0 3 4 A F - 0 0 21 -2,-0.1 179,-0.1 1,-0.1 -1,-0.1 -0.680 8.9-128.4 -96.1 148.1 -24.3 -15.5 24.9 4 5 A H S S+ 0 0 37 -2,-0.3 178,-1.1 178,-0.1 179,-0.4 0.842 87.6 19.4 -60.8 -40.6 -24.7 -13.4 21.7 5 6 A T B > S-A 181 0A 2 176,-0.2 4,-2.3 177,-0.1 176,-0.2 -0.886 75.1-115.0-132.1 163.4 -21.4 -11.5 22.2 6 7 A R H > S+ 0 0 119 174,-2.5 4,-1.9 -2,-0.3 5,-0.1 0.763 115.9 56.2 -69.2 -25.9 -18.1 -11.8 24.1 7 8 A T H > S+ 0 0 41 173,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.927 110.6 42.8 -70.0 -46.3 -18.9 -8.6 26.1 8 9 A I H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.908 112.4 55.5 -65.5 -44.0 -22.3 -10.2 27.3 9 10 A E H X S+ 0 0 70 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.909 104.7 51.2 -54.3 -51.8 -20.5 -13.5 28.0 10 11 A S H < S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 117.2 41.3 -62.0 -28.4 -17.8 -12.0 30.3 11 12 A I H < S+ 0 0 7 -4,-1.0 4,-0.4 -3,-0.4 -2,-0.2 0.892 129.5 23.5 -82.8 -47.5 -20.6 -10.3 32.4 12 13 A L H X S+ 0 0 4 -4,-2.9 4,-2.5 2,-0.1 3,-0.3 0.817 105.0 71.4 -96.8 -34.8 -23.2 -13.0 32.5 13 14 A E H X S+ 0 0 58 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.906 99.8 50.9 -54.1 -44.8 -21.4 -16.4 32.0 14 15 A P H > S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.881 111.7 48.0 -62.1 -35.3 -19.7 -16.2 35.5 15 16 A V H > S+ 0 0 4 -4,-0.4 4,-2.4 -3,-0.3 -2,-0.2 0.948 112.3 48.6 -68.1 -45.9 -23.1 -15.5 37.1 16 17 A A H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.916 111.5 51.0 -58.9 -43.2 -24.8 -18.4 35.2 17 18 A Q H X S+ 0 0 112 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.895 111.1 47.4 -63.1 -38.9 -21.9 -20.8 36.2 18 19 A Q H X S+ 0 0 39 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.858 110.6 51.0 -74.2 -33.8 -22.3 -19.8 39.9 19 20 A I H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.942 110.3 49.8 -65.6 -45.2 -26.1 -20.3 39.9 20 21 A S H X S+ 0 0 69 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.871 109.2 52.9 -63.1 -32.4 -25.7 -23.8 38.3 21 22 A H H X S+ 0 0 76 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.878 110.5 46.7 -66.6 -39.5 -23.1 -24.6 41.1 22 23 A L H >X S+ 0 0 27 -4,-1.7 4,-1.5 1,-0.2 3,-0.6 0.905 105.8 59.0 -68.3 -42.0 -25.6 -23.5 43.8 23 24 A V H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 97.8 61.6 -55.9 -34.0 -28.4 -25.6 42.1 24 25 A I H 3< S+ 0 0 130 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.918 112.0 37.5 -57.4 -48.0 -26.1 -28.8 42.5 25 26 A M H << S+ 0 0 87 -4,-0.9 2,-0.4 -3,-0.6 -1,-0.2 0.657 125.2 41.7 -75.5 -27.8 -26.3 -28.2 46.4 26 27 A H < + 0 0 6 -4,-1.5 -1,-0.2 78,-0.1 2,-0.2 -0.855 59.9 178.6-136.0 106.5 -29.9 -27.1 46.3 27 28 A E > - 0 0 140 -2,-0.4 3,-2.0 -3,-0.2 -3,-0.0 -0.517 59.8 -67.4 -82.6 163.5 -32.8 -28.7 44.3 28 29 A E T 3 S+ 0 0 171 1,-0.3 -1,-0.1 -2,-0.2 73,-0.0 -0.321 122.6 3.2 -58.5 130.4 -36.2 -27.1 44.8 29 30 A G T 3 S+ 0 0 44 72,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.481 93.3 153.2 71.7 8.8 -37.5 -27.8 48.4 30 31 A E < - 0 0 74 -3,-2.0 2,-0.3 71,-0.1 -1,-0.2 -0.507 34.6-144.5 -77.5 133.7 -34.2 -29.6 49.4 31 32 A V + 0 0 110 -2,-0.3 2,-0.3 2,-0.0 69,-0.1 -0.741 22.1 172.8 -91.0 141.7 -33.2 -29.6 53.1 32 33 A D - 0 0 47 -2,-0.3 -6,-0.0 67,-0.3 -7,-0.0 -0.869 36.6-128.6-139.9 168.1 -29.5 -29.5 54.1 33 34 A G S S+ 0 0 59 -2,-0.3 2,-0.6 2,-0.1 66,-0.1 -0.074 71.1 112.4-108.8 30.0 -27.8 -29.1 57.5 34 35 A K - 0 0 161 65,-0.1 2,-0.4 64,-0.1 -2,-0.1 -0.923 63.7-136.8-107.9 117.2 -25.5 -26.2 56.5 35 36 A A - 0 0 48 -2,-0.6 64,-0.2 247,-0.1 -2,-0.1 -0.565 17.4-137.7 -68.9 122.1 -26.2 -22.9 58.2 36 37 A I - 0 0 20 62,-2.1 3,-0.1 -2,-0.4 64,-0.1 -0.717 23.5-122.8 -81.2 129.8 -26.1 -20.1 55.6 37 38 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 245,-0.1 -0.152 47.4 -65.8 -65.6 170.0 -24.2 -17.0 57.1 38 39 A D - 0 0 82 1,-0.1 3,-0.2 57,-0.1 53,-0.1 -0.408 49.0-176.0 -60.1 117.1 -25.9 -13.6 57.3 39 40 A L > + 0 0 0 52,-0.3 4,-2.5 -2,-0.3 5,-0.3 0.355 51.6 107.5 -99.2 6.9 -26.4 -12.4 53.7 40 41 A T H > S+ 0 0 62 51,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.888 82.6 41.5 -50.3 -53.9 -27.9 -8.9 54.6 41 42 A A H > S+ 0 0 76 -3,-0.2 4,-1.8 2,-0.2 5,-0.2 0.952 115.9 46.5 -68.1 -50.0 -24.7 -6.9 53.5 42 43 A P H > S+ 0 0 9 0, 0.0 4,-1.4 0, 0.0 233,-0.2 0.901 115.7 48.1 -58.3 -37.5 -23.9 -8.9 50.2 43 44 A V H X S+ 0 0 3 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.901 106.3 56.4 -68.1 -39.5 -27.6 -8.7 49.2 44 45 A A H X S+ 0 0 45 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.870 106.2 51.4 -59.9 -34.8 -27.7 -4.9 50.0 45 46 A A H X S+ 0 0 44 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.854 109.6 49.0 -68.9 -34.7 -24.8 -4.5 47.5 46 47 A V H X S+ 0 0 0 -4,-1.4 4,-2.7 225,-0.2 -2,-0.2 0.948 110.4 52.3 -66.7 -43.6 -26.8 -6.4 44.9 47 48 A Q H X S+ 0 0 97 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.903 110.3 47.0 -56.6 -46.9 -29.8 -4.1 45.7 48 49 A A H X S+ 0 0 58 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.888 113.2 48.5 -64.1 -41.3 -27.5 -1.0 45.2 49 50 A A H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 219,-0.2 0.869 111.5 50.8 -67.6 -36.2 -26.2 -2.4 41.8 50 51 A V H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.947 110.3 47.5 -63.9 -52.9 -29.8 -3.2 40.7 51 52 A S H X S+ 0 0 72 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.866 113.6 49.7 -58.8 -36.7 -31.2 0.4 41.4 52 53 A N H X S+ 0 0 27 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.898 110.8 48.6 -68.8 -41.5 -28.1 1.9 39.6 53 54 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 211,-0.2 -2,-0.2 0.918 114.0 46.4 -64.8 -43.0 -28.7 -0.4 36.6 54 55 A V H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.888 110.6 53.4 -64.3 -42.3 -32.4 0.6 36.5 55 56 A R H X S+ 0 0 113 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.926 112.5 43.7 -58.9 -48.5 -31.5 4.3 36.9 56 57 A V H X S+ 0 0 5 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.922 115.4 49.6 -62.1 -47.8 -29.1 4.2 33.9 57 58 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.2 0.891 109.5 50.1 -57.7 -47.0 -31.7 2.1 31.9 58 59 A K H X S+ 0 0 98 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.809 106.0 56.6 -63.3 -33.7 -34.5 4.6 32.6 59 60 A E H X S+ 0 0 81 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.844 107.4 49.6 -66.3 -35.4 -32.3 7.6 31.5 60 61 A T H >X S+ 0 0 44 -4,-1.4 4,-3.1 -3,-0.2 3,-0.6 0.957 110.9 48.4 -66.0 -51.1 -31.9 5.8 28.1 61 62 A V H 3< S+ 0 0 29 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.825 112.0 50.8 -58.2 -37.2 -35.7 5.3 27.8 62 63 A Q H 3< S+ 0 0 152 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.792 123.0 28.2 -72.6 -30.5 -36.4 9.0 28.7 63 64 A T H << S+ 0 0 108 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.2 0.708 97.1 101.5-104.8 -27.3 -33.9 10.4 26.1 64 65 A T < - 0 0 32 -4,-3.1 -4,-0.0 -5,-0.1 -3,-0.0 -0.080 51.9-157.6 -62.0 160.7 -33.8 7.8 23.2 65 66 A E + 0 0 183 5,-0.0 2,-0.7 4,-0.0 -1,-0.1 0.348 65.2 109.7-111.6 -7.5 -35.5 8.0 19.8 66 67 A D > - 0 0 32 1,-0.2 4,-1.8 2,-0.0 3,-0.2 -0.676 53.1-165.0 -78.3 109.7 -35.3 4.2 19.5 67 68 A Q H > S+ 0 0 128 -2,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.760 87.2 58.6 -66.6 -29.6 -38.9 2.9 19.8 68 69 A I H > S+ 0 0 50 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.881 106.5 48.4 -68.9 -38.7 -37.7 -0.7 20.4 69 70 A L H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.930 109.5 51.8 -64.6 -47.2 -35.7 0.4 23.4 70 71 A K H < S+ 0 0 70 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.799 118.3 40.0 -57.3 -33.0 -38.6 2.3 24.9 71 72 A R H < S+ 0 0 156 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.893 122.5 35.5 -84.3 -46.8 -40.7 -0.9 24.4 72 73 A D H X S+ 0 0 46 -4,-3.2 4,-0.8 2,-0.1 -3,-0.2 0.733 108.1 60.5 -89.6 -21.4 -38.2 -3.6 25.5 73 74 A M H >X S+ 0 0 4 -4,-2.7 4,-1.3 -5,-0.2 3,-0.7 0.947 95.4 58.8 -74.3 -45.9 -36.2 -2.0 28.3 74 75 A P H >> S+ 0 0 45 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.865 102.9 52.7 -55.6 -38.5 -39.0 -1.2 30.9 75 76 A P H 3> S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.873 106.9 54.2 -62.7 -33.9 -40.2 -5.0 31.2 76 77 A A H < - 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