==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 15-OCT-07 2RJV . COMPND 2 MOLECULE: VILLIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR J.MENG,C.J.MCKNIGHT . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 58.2 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 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.0 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 1 1 0 1 0 1 0 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 10 A P 0 0 185 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.6 16.1 33.6 19.1 2 11 A T - 0 0 135 1,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.256 360.0 -96.7 -54.6 138.3 12.6 33.9 20.6 3 12 A K - 0 0 179 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.373 47.8-105.8 -59.9 135.7 12.1 31.2 23.2 4 13 A L - 0 0 83 27,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.345 32.8-109.9 -65.2 142.3 10.3 28.2 21.7 5 14 A E - 0 0 135 18,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.483 33.7-138.2 -70.0 140.3 6.6 27.8 22.6 6 15 A T - 0 0 72 -2,-0.2 27,-0.2 -3,-0.1 26,-0.1 -0.745 16.3-165.5-101.5 152.0 6.1 24.8 24.8 7 16 A F - 0 0 26 25,-2.4 27,-0.4 -2,-0.3 5,-0.1 -0.977 32.9 -91.5-133.1 148.9 3.2 22.3 24.4 8 17 A P >> - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.255 35.1-118.9 -57.8 146.2 1.9 19.7 26.9 9 18 A L H 3> S+ 0 0 57 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.910 114.4 54.9 -51.4 -46.9 3.5 16.2 26.5 10 19 A D H 3> S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.837 107.3 50.5 -59.8 -33.6 0.1 14.7 25.7 11 20 A V H <4 S+ 0 0 53 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.923 110.9 47.1 -70.1 -44.4 -0.4 17.2 22.9 12 21 A L H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.844 119.7 40.9 -67.6 -30.0 2.9 16.5 21.2 13 22 A V H < S+ 0 0 40 -4,-2.2 2,-0.4 -5,-0.2 -2,-0.2 0.908 120.7 40.5 -80.6 -42.5 2.4 12.8 21.5 14 23 A N S < S+ 0 0 107 -4,-2.6 2,-0.4 -5,-0.3 -1,-0.2 -0.402 84.2 104.5-111.8 52.9 -1.3 12.7 20.5 15 24 A T S S- 0 0 39 -3,-0.4 5,-0.1 -2,-0.4 2,-0.0 -0.997 72.5-110.9-129.5 135.7 -1.9 15.1 17.7 16 25 A A >> - 0 0 40 -2,-0.4 3,-1.5 1,-0.1 4,-0.5 -0.363 29.1-118.9 -61.5 143.1 -2.4 14.0 14.1 17 26 A A G >4 S+ 0 0 89 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.896 114.6 53.7 -51.0 -45.3 0.6 15.0 11.9 18 27 A E G 34 S+ 0 0 159 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.720 111.5 46.6 -65.0 -20.4 -1.7 17.2 9.7 19 28 A D G <4 S+ 0 0 112 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.360 78.8 127.6-103.2 3.6 -2.9 19.1 12.8 20 29 A L S << S- 0 0 24 -3,-1.3 -8,-0.1 -4,-0.5 -3,-0.0 -0.370 75.7 -94.9 -63.2 135.5 0.5 19.7 14.5 21 30 A P > - 0 0 41 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.253 34.4-123.4 -50.8 136.8 1.0 23.4 15.4 22 31 A R T 3 S+ 0 0 247 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.742 106.4 61.9 -58.6 -25.7 2.9 25.0 12.5 23 32 A G T 3 S+ 0 0 52 2,-0.1 2,-0.6 -19,-0.0 -1,-0.3 0.468 84.8 92.3 -81.0 -2.2 5.7 26.2 14.8 24 33 A V S < S- 0 0 8 -3,-2.0 5,-0.1 -20,-0.0 -4,-0.0 -0.830 72.3-139.2 -98.2 121.1 6.7 22.7 15.8 25 34 A D > - 0 0 71 -2,-0.6 3,-2.2 3,-0.2 6,-0.2 -0.694 15.8-148.5 -73.6 114.3 9.5 20.9 13.9 26 35 A P G > S+ 0 0 79 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.719 95.0 55.8 -61.4 -18.4 7.9 17.3 13.7 27 36 A S G 3 S+ 0 0 51 1,-0.2 3,-0.1 40,-0.1 -2,-0.1 0.488 113.5 40.4 -90.4 -3.0 11.4 15.8 13.8 28 37 A R G X + 0 0 86 -3,-2.2 3,-2.0 1,-0.1 4,-0.3 -0.220 64.1 146.0-138.1 46.6 12.4 17.6 17.0 29 38 A K G X + 0 0 28 -3,-0.5 3,-2.0 37,-0.5 4,-0.2 0.805 66.9 69.3 -56.7 -31.2 9.3 17.5 19.2 30 39 A E G > S+ 0 0 6 1,-0.3 3,-1.3 36,-0.2 -1,-0.3 0.781 87.1 66.4 -60.1 -25.9 11.4 17.2 22.3 31 40 A N G < S+ 0 0 70 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.672 99.5 52.4 -69.6 -13.5 12.5 20.8 21.8 32 41 A Y G < S+ 0 0 25 -3,-2.0 -25,-2.4 -4,-0.3 2,-0.3 0.288 85.7 101.6-106.0 6.2 9.0 22.0 22.5 33 42 A L S < S- 0 0 1 -3,-1.3 -3,-0.0 -27,-0.2 -27,-0.0 -0.635 82.2-106.3 -84.7 149.9 8.5 20.1 25.8 34 43 A S > - 0 0 33 -27,-0.4 4,-2.6 -2,-0.3 5,-0.2 -0.298 35.3-106.0 -65.1 162.7 8.8 22.2 28.9 35 44 A D H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 123.0 53.8 -59.8 -36.3 12.1 21.5 30.8 36 45 A E H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 110.5 44.9 -63.3 -46.6 10.0 19.5 33.4 37 46 A D H > S+ 0 0 36 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.888 111.1 53.1 -66.9 -37.8 8.5 17.3 30.7 38 47 A F H X>S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 5,-0.6 0.946 111.2 47.1 -60.9 -46.8 11.8 16.8 29.0 39 48 A K H X5S+ 0 0 158 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.901 114.6 46.7 -60.8 -42.6 13.4 15.6 32.3 40 49 A A H <5S+ 0 0 83 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.906 118.3 41.0 -67.2 -41.8 10.4 13.3 33.0 41 50 A V H <5S+ 0 0 21 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.933 130.6 21.4 -73.0 -47.6 10.3 11.8 29.6 42 51 A F H <5S- 0 0 19 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.753 80.7-146.1 -98.9 -27.9 14.0 11.4 28.8 43 52 A G S < - 0 0 85 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.310 38.9-113.3 -74.6 160.9 19.8 16.7 30.0 46 55 A R H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.891 118.5 49.6 -60.4 -38.2 18.9 18.2 26.7 47 56 A S H > S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.896 108.4 52.1 -71.2 -36.0 22.6 18.3 25.7 48 57 A A H > S+ 0 0 38 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.936 111.4 47.9 -63.4 -43.8 23.2 14.7 26.7 49 58 A F H >< S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.930 109.5 52.7 -61.0 -43.8 20.2 13.7 24.5 50 59 A A H 3< S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.739 103.4 59.5 -64.5 -22.6 21.5 15.8 21.6 51 60 A N H 3< S+ 0 0 139 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.560 84.9 94.4 -84.3 -10.2 24.9 14.0 21.9 52 61 A L S << S- 0 0 53 -3,-1.5 5,-0.1 -4,-0.5 -3,-0.0 -0.490 97.4 -87.1 -73.5 154.1 23.4 10.6 21.3 53 62 A P >> - 0 0 64 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.316 40.4-113.7 -59.3 148.8 23.5 9.5 17.6 54 63 A L H 3> S+ 0 0 82 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.888 116.4 54.7 -52.3 -44.1 20.5 10.8 15.7 55 64 A W H 3> S+ 0 0 153 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.828 108.3 49.1 -62.3 -30.4 19.1 7.3 15.1 56 65 A K H <> S+ 0 0 85 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.880 108.9 51.7 -76.9 -37.6 19.2 6.6 18.9 57 66 A Q H X S+ 0 0 17 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.939 114.0 45.9 -59.4 -45.8 17.4 9.9 19.7 58 67 A Q H X S+ 0 0 45 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.922 110.9 51.1 -64.8 -44.5 14.8 8.8 17.1 59 68 A N H X S+ 0 0 59 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.906 110.5 48.7 -63.8 -38.5 14.5 5.3 18.4 60 69 A L H X S+ 0 0 49 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.937 113.4 48.7 -64.2 -43.5 14.0 6.5 22.0 61 70 A K H <>S+ 0 0 2 -4,-2.2 5,-2.7 -5,-0.2 6,-0.7 0.850 101.1 64.3 -64.6 -34.7 11.4 8.9 20.8 62 71 A K H ><5S+ 0 0 94 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.925 104.9 44.0 -57.0 -48.1 9.5 6.3 18.7 63 72 A E H 3<5S+ 0 0 169 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 112.9 53.7 -66.1 -30.8 8.5 4.2 21.8 64 73 A K T 3<5S- 0 0 84 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.384 116.2-113.4 -85.2 2.1 7.6 7.4 23.6 65 74 A G T < 5S+ 0 0 30 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.656 89.8 108.8 75.3 18.3 5.3 8.6 20.9 66 75 A L < 0 0 0 -5,-2.7 -37,-0.5 -6,-0.1 -4,-0.2 0.320 360.0 360.0-110.3 5.4 7.4 11.5 20.0 67 76 A F 0 0 103 -6,-0.7 -2,-0.2 -5,-0.2 -1,-0.1 -0.965 360.0 360.0-157.0 360.0 8.8 10.4 16.6