==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 20-JUN-10 3NKJ . COMPND 2 MOLECULE: VILLIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.W.BROWN,J.D.FARELLI,C.J.MCKNIGHT . 64 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 57.8 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.1 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 0 1 0 1 0 0 1 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 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 13 A L 0 0 158 0, 0.0 2,-0.2 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 150.6 -10.1 -7.9 -8.1 2 14 A E - 0 0 117 18,-0.4 2,-0.3 29,-0.0 0, 0.0 -0.501 360.0-151.7 -72.4 136.9 -6.4 -7.4 -7.5 3 15 A T - 0 0 83 -2,-0.2 27,-0.2 18,-0.1 26,-0.1 -0.827 12.8-173.8-113.8 154.4 -5.6 -4.9 -4.8 4 16 A F - 0 0 38 25,-2.1 27,-0.3 -2,-0.3 5,-0.0 -0.964 32.6 -89.5-142.8 153.8 -2.6 -2.6 -4.3 5 17 A P >> - 0 0 71 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.264 43.0-110.6 -62.0 153.2 -1.2 -0.2 -1.8 6 18 A L H 3> S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.864 115.8 58.3 -55.8 -40.6 -2.3 3.4 -2.0 7 19 A D H 34 S+ 0 0 120 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.882 106.1 48.9 -62.1 -36.9 1.2 4.6 -3.1 8 20 A V H X4 S+ 0 0 46 -3,-0.6 3,-0.7 1,-0.2 -1,-0.2 0.921 113.4 47.4 -63.0 -43.4 1.1 2.2 -6.2 9 21 A L H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.794 109.6 51.1 -71.7 -28.6 -2.4 3.4 -7.1 10 22 A V T 3< S+ 0 0 47 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.2 0.445 79.2 115.7 -91.1 -0.4 -1.6 7.2 -6.8 11 23 A N < - 0 0 71 -3,-0.7 6,-0.1 -4,-0.4 -3,-0.0 -0.583 53.7-162.1 -60.7 114.5 1.4 6.8 -9.0 12 24 A T + 0 0 117 -2,-0.5 2,-1.1 4,-0.0 -1,-0.2 0.466 58.5 106.8 -90.4 2.5 0.3 8.9 -12.0 13 25 A A >> - 0 0 30 1,-0.2 3,-1.5 2,-0.1 4,-0.7 -0.688 58.9-159.7 -78.5 102.4 2.9 7.4 -14.4 14 26 A A G >4 S+ 0 0 76 -2,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.832 84.4 60.5 -54.8 -40.5 0.6 5.3 -16.5 15 27 A E G 34 S+ 0 0 155 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.801 104.3 51.8 -61.2 -27.8 3.2 2.9 -17.8 16 28 A D G <4 S+ 0 0 102 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.690 80.5 112.4 -80.8 -20.6 4.0 1.8 -14.3 17 29 A L S << S- 0 0 26 -3,-1.1 -8,-0.1 -4,-0.7 4,-0.0 -0.322 76.8-111.0 -61.4 128.7 0.4 1.0 -13.3 18 30 A P > - 0 0 40 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.252 21.3-118.8 -57.8 147.1 0.0 -2.8 -12.8 19 31 A R T 3 S+ 0 0 256 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.796 109.0 68.4 -54.4 -32.4 -2.0 -4.6 -15.5 20 32 A G T 3 S+ 0 0 15 2,-0.1 2,-0.5 -17,-0.0 -18,-0.4 0.348 84.7 85.9 -76.6 7.2 -4.5 -5.7 -12.8 21 33 A V S < S- 0 0 7 -3,-1.7 5,-0.1 -20,-0.1 -18,-0.1 -0.936 73.6-136.6-111.3 128.3 -5.8 -2.1 -12.1 22 34 A D > - 0 0 67 -2,-0.5 3,-2.0 3,-0.3 6,-0.2 -0.703 18.1-151.1 -74.5 109.7 -8.6 -0.4 -14.1 23 35 A P T 3 S+ 0 0 85 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.742 94.5 48.6 -59.4 -21.6 -7.0 3.0 -14.5 24 36 A S T 3 S+ 0 0 62 1,-0.2 3,-0.1 40,-0.1 -2,-0.1 0.491 119.1 37.9 -94.7 -4.2 -10.4 4.7 -14.6 25 37 A R X + 0 0 77 -3,-2.0 3,-1.8 1,-0.1 -3,-0.3 -0.327 66.3 149.9-139.8 50.1 -11.7 2.9 -11.5 26 38 A K G > + 0 0 14 37,-0.5 3,-2.1 -3,-0.4 4,-0.1 0.807 66.6 68.7 -56.3 -32.2 -8.6 2.8 -9.3 27 39 A E G > S+ 0 0 4 1,-0.3 3,-1.3 36,-0.2 -1,-0.3 0.780 89.0 64.8 -60.3 -26.2 -10.8 2.9 -6.2 28 40 A N G < S+ 0 0 66 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.633 98.0 57.1 -68.7 -12.3 -12.0 -0.6 -7.0 29 41 A H G < S+ 0 0 14 -3,-2.1 -25,-2.1 -4,-0.3 2,-0.3 0.249 82.2 98.4-112.3 10.6 -8.5 -1.8 -6.4 30 42 A L S < S- 0 0 0 -3,-1.3 -3,-0.0 -27,-0.2 2,-0.0 -0.702 84.0-107.1 -82.0 148.0 -8.1 -0.6 -2.9 31 43 A S > - 0 0 26 -27,-0.3 4,-2.5 -2,-0.3 5,-0.2 -0.312 34.9-104.6 -62.9 161.4 -8.6 -3.2 -0.2 32 44 A D H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 124.4 53.3 -54.2 -43.8 -11.8 -2.7 1.8 33 45 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 111.3 43.8 -57.9 -48.0 -9.8 -1.3 4.6 34 46 A D H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.838 108.1 59.1 -70.5 -32.1 -8.1 1.2 2.4 35 47 A F H X>S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 5,-0.8 0.945 109.0 44.5 -60.7 -45.6 -11.3 2.2 0.7 36 48 A K H X5S+ 0 0 159 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.933 114.8 49.1 -62.7 -44.0 -12.8 3.2 4.1 37 49 A A H <5S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.868 118.5 38.7 -62.9 -36.5 -9.6 5.0 5.1 38 50 A V H <5S+ 0 0 23 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.913 133.1 18.2 -82.8 -44.8 -9.4 6.9 1.8 39 51 A F H <5S- 0 0 18 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.782 80.1-143.8-104.2 -33.1 -13.1 7.7 1.1 40 52 A G S < - 0 0 90 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.319 38.1-116.1 -67.8 158.4 -19.3 2.6 1.5 43 55 A R H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 118.3 52.2 -60.9 -35.7 -18.3 1.4 -2.0 44 56 A S H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 105.8 51.8 -67.9 -44.1 -22.0 1.6 -2.9 45 57 A A H > S+ 0 0 54 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.919 115.6 43.2 -57.5 -42.6 -22.4 5.1 -1.6 46 58 A F H >< S+ 0 0 7 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.948 114.9 47.2 -68.9 -47.1 -19.5 6.2 -3.7 47 59 A A H 3< S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.728 111.2 51.2 -71.3 -24.0 -20.4 4.3 -6.9 48 60 A N H 3< S+ 0 0 128 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.471 89.9 90.0 -99.3 -3.2 -24.0 5.4 -6.9 49 61 A G S << S- 0 0 28 -3,-0.9 5,-0.0 -4,-0.6 -3,-0.0 -0.384 99.1 -69.3 -76.6 170.3 -23.4 9.1 -6.6 50 62 A P >> - 0 0 68 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.290 42.4-120.4 -63.3 147.6 -22.9 11.1 -9.9 51 63 A L H 3> S+ 0 0 74 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.840 109.9 61.4 -60.4 -34.0 -19.8 10.4 -11.8 52 64 A W H 3> S+ 0 0 156 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.884 106.3 45.2 -60.7 -37.4 -18.6 14.0 -11.6 53 65 A K H <> S+ 0 0 92 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.882 110.9 53.6 -75.0 -38.4 -18.5 13.8 -7.8 54 66 A Q H X S+ 0 0 16 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.930 112.9 44.8 -53.9 -48.5 -16.7 10.5 -8.0 55 67 A Q H X S+ 0 0 66 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.920 111.4 51.6 -66.0 -43.9 -14.1 12.1 -10.2 56 68 A N H X S+ 0 0 67 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.921 113.0 45.6 -59.1 -44.5 -13.8 15.2 -8.2 57 69 A L H X S+ 0 0 28 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.932 110.8 53.1 -64.7 -45.0 -13.2 13.2 -5.0 58 70 A K H X>S+ 0 0 7 -4,-2.4 5,-2.5 1,-0.2 4,-1.2 0.876 104.2 56.6 -61.4 -35.8 -10.7 10.9 -6.8 59 71 A K H <5S+ 0 0 122 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.921 107.1 48.6 -60.4 -42.1 -8.7 13.9 -8.0 60 72 A E H <5S+ 0 0 139 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 114.0 47.4 -62.6 -35.3 -8.3 15.0 -4.3 61 73 A K H <5S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.585 114.0-114.1 -83.4 -15.9 -7.2 11.5 -3.4 62 74 A G T <5S+ 0 0 20 -4,-1.2 -3,-0.2 -3,-0.5 -4,-0.1 0.585 88.7 109.2 90.8 13.6 -4.7 11.1 -6.2 63 75 A L < 0 0 0 -5,-2.5 -37,-0.5 -6,-0.2 -4,-0.2 0.317 360.0 360.0-108.7 5.0 -6.8 8.3 -7.8 64 76 A F 0 0 117 -6,-0.8 -40,-0.1 -7,-0.1 -39,-0.1 -0.648 360.0 360.0 -83.5 360.0 -8.2 10.0 -10.9