==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 08-JUN-99 1QQV . COMPND 2 MOLECULE: VILLIN HEADPIECE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR D.VARDAR,D.A.BUCKLEY,B.S.FRANK,C.J.MCKNIGHT . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.0 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 . 1 1.5 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 . 2 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 2 0 0 1 0 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 . 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 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 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.3 1.1 -4.5 21.0 2 11 A T + 0 0 145 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.026 360.0 94.5 64.9 178.1 1.6 -2.0 18.1 3 12 A K - 0 0 170 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.498 67.5-114.7 74.2 136.2 3.4 -3.1 14.8 4 13 A L - 0 0 51 1,-0.1 19,-0.1 27,-0.1 20,-0.1 -0.632 22.0-123.1-101.2 162.3 1.4 -4.3 11.8 5 14 A E - 0 0 84 18,-0.5 2,-0.4 17,-0.3 -1,-0.1 0.019 28.4-104.6 -86.4-161.2 1.4 -7.8 10.2 6 15 A T + 0 0 97 28,-0.0 27,-0.1 27,-0.0 26,-0.1 -0.813 45.9 159.8-135.6 98.2 2.3 -8.6 6.5 7 16 A F B -a 33 0A 36 25,-1.4 27,-0.9 -2,-0.4 30,-0.1 -0.687 39.2-104.8-111.1 169.1 -0.6 -9.5 4.1 8 17 A P > - 0 0 52 0, 0.0 4,-0.7 0, 0.0 5,-0.2 -0.026 40.8 -97.1 -77.9-173.6 -0.8 -9.4 0.3 9 18 A L H > S+ 0 0 29 3,-0.2 4,-1.0 2,-0.2 24,-0.1 0.589 117.0 65.9 -86.3 -7.9 -2.7 -6.7 -1.6 10 19 A D H 4 S+ 0 0 102 2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.951 100.4 46.6 -77.9 -48.6 -5.8 -8.8 -2.0 11 20 A V H 4 S+ 0 0 57 1,-0.1 -1,-0.2 3,-0.1 -2,-0.2 0.866 129.5 29.4 -58.2 -35.0 -6.7 -8.9 1.8 12 21 A L H >< S+ 0 0 0 -4,-0.7 3,-0.8 8,-0.2 2,-0.3 0.921 112.3 57.5 -87.9 -78.7 -6.0 -5.1 1.7 13 22 A V T 3< S+ 0 0 8 -4,-1.0 -1,-0.2 1,-0.2 3,-0.1 -0.417 82.9 76.1 -61.7 118.4 -6.8 -3.7 -1.8 14 23 A N T 3 S- 0 0 117 1,-0.5 -1,-0.2 -2,-0.3 2,-0.1 -0.013 103.2 -12.5 172.6 -46.4 -10.5 -4.5 -2.6 15 24 A T S < S- 0 0 80 -3,-0.8 -1,-0.5 1,-0.3 2,-0.1 -0.329 91.3 -55.1-144.0-133.6 -12.8 -2.1 -0.6 16 25 A A S >> S- 0 0 53 -2,-0.1 3,-2.9 -3,-0.1 4,-1.3 -0.165 79.4 -57.3-104.8-158.1 -12.3 0.3 2.3 17 26 A A T 34 S+ 0 0 57 1,-0.3 7,-0.1 2,-0.2 -2,-0.0 0.821 133.4 66.2 -53.9 -27.8 -10.9 -0.1 5.9 18 27 A E T 34 S+ 0 0 142 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.707 101.3 49.2 -67.9 -17.6 -13.6 -2.8 6.3 19 28 A D T <4 S+ 0 0 43 -3,-2.9 -2,-0.2 -7,-0.1 -1,-0.2 0.898 92.6 83.8 -88.8 -45.5 -11.7 -4.9 3.6 20 29 A L S < S- 0 0 11 -4,-1.3 -8,-0.2 -8,-0.1 4,-0.1 -0.168 85.3-109.7 -56.1 154.2 -8.1 -4.7 5.0 21 30 A P - 0 0 31 0, 0.0 3,-0.4 0, 0.0 2,-0.2 0.002 53.4 -56.2 -75.4-176.3 -7.3 -7.3 7.7 22 31 A R S S+ 0 0 204 1,-0.2 -17,-0.3 -18,-0.0 0, 0.0 -0.446 125.1 24.5 -67.0 131.7 -6.7 -6.6 11.4 23 32 A G S S+ 0 0 28 1,-0.3 -18,-0.5 -2,-0.2 2,-0.4 0.925 93.9 125.0 81.2 47.7 -3.9 -4.1 12.0 24 33 A V - 0 0 21 -3,-0.4 -1,-0.3 -4,-0.1 5,-0.1 -0.998 46.6-148.1-140.8 137.5 -4.2 -2.3 8.6 25 34 A D - 0 0 88 3,-0.5 7,-0.2 -2,-0.4 6,-0.1 -0.833 12.1-144.1-106.7 145.1 -4.7 1.4 7.7 26 35 A P S S+ 0 0 59 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.734 101.2 49.4 -76.3 -25.1 -6.5 2.7 4.6 27 36 A S S S+ 0 0 74 1,-0.2 2,-1.0 2,-0.1 3,-0.3 0.960 119.1 34.0 -79.9 -54.8 -4.1 5.7 4.2 28 37 A R S S+ 0 0 160 1,-0.2 -3,-0.5 2,-0.1 3,-0.3 -0.543 72.4 142.4 -99.5 69.4 -0.8 3.8 4.5 29 38 A K > + 0 0 7 -2,-1.0 3,-1.6 -3,-0.4 4,-0.3 0.839 64.1 66.6 -77.0 -32.2 -1.9 0.5 2.8 30 39 A E G > S+ 0 0 13 -3,-0.3 3,-1.0 1,-0.3 -1,-0.2 0.795 92.0 63.4 -59.8 -26.6 1.5 0.1 1.0 31 40 A N G 3 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.735 98.3 55.0 -71.7 -20.2 3.1 -0.5 4.5 32 41 A H G < S+ 0 0 1 -3,-1.6 -25,-1.4 -4,-0.3 2,-0.5 0.479 86.4 97.4 -92.0 0.0 1.0 -3.6 4.9 33 42 A L B < S-a 7 0A 8 -3,-1.0 5,-0.3 -4,-0.3 -24,-0.0 -0.760 82.2-117.5 -89.4 126.5 2.3 -5.2 1.7 34 43 A S > - 0 0 44 -27,-0.9 4,-3.0 -2,-0.5 5,-0.5 0.033 43.4 -83.2 -52.6 171.1 5.2 -7.6 2.3 35 44 A D H > S+ 0 0 89 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.890 138.2 40.2 -47.3 -40.9 8.6 -6.7 0.7 36 45 A E H > S+ 0 0 154 2,-0.2 4,-1.8 3,-0.1 -1,-0.3 0.866 112.8 55.8 -77.9 -35.1 7.3 -8.3 -2.6 37 46 A D H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.969 110.8 42.7 -61.3 -53.2 3.8 -6.8 -2.2 38 47 A F H X S+ 0 0 4 -4,-3.0 4,-0.9 -5,-0.3 6,-0.9 0.816 118.4 47.9 -64.1 -27.7 5.1 -3.2 -1.9 39 48 A K H < S+ 0 0 99 -4,-0.9 -1,-0.2 -5,-0.5 -2,-0.2 0.693 116.2 43.0 -86.6 -18.4 7.5 -4.0 -4.8 40 49 A A H < S+ 0 0 75 -4,-1.8 -2,-0.2 -3,-0.5 -3,-0.2 0.889 119.5 39.0 -91.6 -48.2 4.8 -5.6 -7.0 41 50 A V H < S+ 0 0 20 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.939 133.9 25.4 -67.9 -47.2 1.9 -3.1 -6.4 42 51 A F S < S- 0 0 13 -4,-0.9 -3,-0.2 -5,-0.5 -1,-0.2 0.701 95.4-136.3 -90.5 -21.6 4.2 -0.0 -6.5 43 52 A G S S+ 0 0 57 -6,-0.3 2,-0.3 -5,-0.2 -4,-0.2 0.706 78.0 75.4 73.5 15.9 7.0 -1.6 -8.6 44 53 A M S S- 0 0 25 -6,-0.9 -2,-0.2 4,-0.0 -1,-0.2 -0.976 77.4-116.2-152.2 163.8 9.5 -0.0 -6.2 45 54 A T > - 0 0 38 -2,-0.3 4,-1.8 -3,-0.1 5,-0.1 -0.297 38.9 -98.2 -94.0-176.9 10.9 -0.5 -2.6 46 55 A R H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.828 120.5 62.8 -73.3 -30.4 10.6 1.9 0.4 47 56 A S H 4 S+ 0 0 99 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.887 111.3 38.2 -63.2 -35.2 14.1 3.3 -0.3 48 57 A A H >4 S+ 0 0 40 2,-0.2 3,-0.8 1,-0.2 4,-0.2 0.848 109.4 61.7 -82.7 -34.7 12.8 4.6 -3.6 49 58 A F H >< S+ 0 0 18 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.826 99.5 57.0 -60.2 -30.1 9.4 5.6 -2.2 50 59 A A T 3< S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 104.4 51.2 -72.4 -29.1 11.2 8.0 0.1 51 60 A N T < S+ 0 0 150 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.341 88.4 118.2 -89.9 9.0 12.8 9.8 -2.9 52 61 A L < - 0 0 26 -3,-0.9 -3,-0.0 -4,-0.2 0, 0.0 -0.275 64.2-131.8 -72.2 163.8 9.3 10.2 -4.6 53 62 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.970 34.6-110.4 -77.2 -80.5 7.8 13.6 -5.3 54 63 A L S > S+ 0 0 116 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.039 108.8 63.9 168.5 -36.4 4.1 13.6 -4.1 55 64 A W H > S+ 0 0 159 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.871 112.2 38.5 -75.6 -36.2 2.2 13.7 -7.4 56 65 A K H > S+ 0 0 85 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.915 112.2 58.3 -79.3 -43.4 3.6 10.2 -8.3 57 66 A Q H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.948 110.7 42.1 -48.7 -56.1 3.4 9.0 -4.7 58 67 A Q H X S+ 0 0 94 -4,-1.8 4,-3.1 1,-0.3 5,-0.2 0.907 114.3 50.7 -61.8 -40.7 -0.4 9.6 -4.6 59 68 A N H < S+ 0 0 84 -4,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.733 108.3 55.7 -70.5 -17.3 -0.8 8.2 -8.1 60 69 A L H X S+ 0 0 7 -4,-1.9 4,-0.8 -3,-0.5 -2,-0.2 0.875 113.5 38.1 -80.6 -37.5 1.2 5.1 -6.9 61 70 A K H X>S+ 0 0 8 -4,-1.9 4,-1.6 -5,-0.2 5,-1.4 0.895 117.0 50.3 -79.1 -40.4 -1.2 4.5 -4.0 62 71 A K H <5S+ 0 0 145 -4,-3.1 -1,-0.2 4,-0.2 -2,-0.2 0.678 97.9 74.6 -70.8 -14.6 -4.3 5.4 -6.1 63 72 A E H 45S+ 0 0 129 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.981 112.9 17.6 -62.9 -56.8 -2.9 3.0 -8.8 64 73 A K H <5S- 0 0 93 -4,-0.8 -2,-0.2 -3,-0.2 -3,-0.1 0.954 128.5 -78.3 -81.4 -54.6 -3.9 -0.2 -6.9 65 74 A G T <5S+ 0 0 32 -4,-1.6 -51,-0.3 -5,-0.2 -3,-0.2 0.266 96.5 98.1 151.3 69.5 -6.4 1.2 -4.4 66 75 A L < 0 0 15 -5,-1.4 -4,-0.2 1,-0.4 -5,-0.1 0.506 360.0 360.0-136.7 -46.0 -5.1 3.0 -1.4 67 76 A F 0 0 131 -9,-0.2 -1,-0.4 -6,-0.2 -40,-0.1 -0.710 360.0 360.0 -91.5 360.0 -5.2 6.8 -2.1