==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 26-JUL-96 1CQA . COMPND 2 MOLECULE: PROFILIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BETULA PENDULA; . AUTHOR A.A.FEDOROV,T.BALL,N.M.MAHONEY,R.VALENTA,S.C.ALMO . 123 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 72.4 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 . 36 29.3 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 . 4 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 0 0 0 0 1 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 2 1 0 3 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 . 1 0 0 0 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 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 S > 0 0 107 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 176.0 40.6 60.4 78.8 2 3 A W H > + 0 0 160 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.918 360.0 51.6 -64.9 -40.6 39.7 56.8 78.0 3 4 A Q H > S+ 0 0 65 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.860 108.9 48.4 -65.8 -38.9 36.4 57.2 79.8 4 5 A T H > S+ 0 0 75 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.915 111.3 49.8 -71.6 -41.1 35.4 60.5 78.1 5 6 A Y H X S+ 0 0 113 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.972 115.6 46.0 -58.4 -46.9 36.1 59.0 74.7 6 7 A V H >X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 3,-1.2 0.967 115.3 42.7 -56.6 -62.9 34.0 56.0 75.8 7 8 A D H >X S+ 0 0 45 -4,-3.2 4,-2.0 1,-0.3 3,-1.1 0.976 114.5 53.5 -48.3 -57.1 31.1 58.0 77.2 8 9 A E H 3< S+ 0 0 135 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.708 118.4 35.7 -51.8 -24.6 31.3 60.3 74.2 9 10 A H H << S+ 0 0 89 -4,-1.3 -1,-0.3 -3,-1.2 -2,-0.2 0.548 117.3 44.5-113.7 -3.3 31.1 57.3 71.8 10 11 A L H << 0 0 9 -4,-1.8 -2,-0.2 -3,-1.1 -3,-0.2 0.533 360.0 360.0-108.4 -15.9 28.7 54.8 73.4 11 12 A M < 0 0 80 -4,-2.0 -3,-0.1 -5,-0.4 -2,-0.1 0.638 360.0 360.0 -85.1 360.0 26.1 57.4 74.4 12 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 22 A L 0 0 40 0, 0.0 86,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 142.1 21.4 56.7 76.0 14 23 A A - 0 0 40 84,-2.2 2,-0.3 1,-0.3 85,-0.2 0.806 360.0 -18.2 -72.5 -31.6 21.3 56.2 79.8 15 24 A A E -A 98 0A 5 83,-1.3 83,-2.9 -5,-0.1 -1,-0.3 -0.945 63.8-175.5-169.3 153.6 24.2 53.7 79.7 16 25 A S E +A 97 0A 0 -2,-0.3 13,-2.4 81,-0.2 2,-0.3 -0.950 5.4 176.8-151.9 164.3 25.9 51.5 77.1 17 26 A A E -AB 96 28A 0 79,-1.9 79,-2.9 -2,-0.3 2,-0.5 -0.947 24.9-141.2-172.7 153.2 28.6 48.8 77.0 18 27 A I E +AB 95 27A 17 9,-3.4 8,-2.7 -2,-0.3 9,-1.7 -0.994 29.3 174.1-121.7 119.5 30.5 46.4 74.9 19 28 A V E -AB 94 25A 0 75,-1.9 75,-1.5 -2,-0.5 6,-0.2 -0.990 30.5-115.6-130.9 139.3 31.3 43.0 76.6 20 29 A G E > -A 93 0A 1 4,-2.8 3,-2.6 -2,-0.4 73,-0.3 -0.267 32.9-108.7 -65.2 160.1 32.9 39.9 75.2 21 30 A H T 3 S+ 0 0 57 71,-2.0 -1,-0.1 1,-0.3 72,-0.1 0.658 122.6 62.8 -61.5 -14.6 30.9 36.7 74.9 22 31 A D T 3 S- 0 0 129 70,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.345 122.0-107.3 -89.8 1.3 33.2 35.7 77.8 23 32 A G S < S+ 0 0 22 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.402 73.4 138.7 88.9 -3.9 32.0 38.4 80.0 24 33 A S - 0 0 49 -5,-0.1 -4,-2.8 1,-0.1 2,-0.5 -0.512 54.2-122.8 -76.8 148.4 35.0 40.6 79.9 25 34 A V E +B 19 0A 68 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.781 30.9 174.3 -90.5 124.9 34.3 44.3 79.6 26 35 A W E S- 0 0 98 -8,-2.7 2,-0.3 -2,-0.5 -7,-0.2 0.768 74.1 -12.2 -96.5 -36.4 35.8 46.1 76.5 27 36 A A E +B 18 0A 14 -9,-1.7 -9,-3.4 -21,-0.0 -1,-0.4 -0.936 64.6 176.0-165.2 138.2 34.1 49.4 77.1 28 37 A Q E -B 17 0A 42 -2,-0.3 -11,-0.2 -11,-0.3 -21,-0.2 -0.986 30.8-110.5-149.2 142.3 31.3 50.7 79.4 29 38 A S > - 0 0 2 -13,-2.4 3,-1.9 -2,-0.3 -25,-0.1 -0.206 38.9 -99.8 -72.0 161.2 29.9 54.1 80.0 30 39 A S T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -27,-0.2 -15,-0.1 0.783 122.5 40.0 -49.4 -32.6 30.3 55.9 83.3 31 40 A S T 3 S+ 0 0 94 -17,-0.1 -1,-0.3 -15,-0.1 -2,-0.0 0.322 81.9 123.7-105.1 7.6 26.9 54.8 84.5 32 41 A F < - 0 0 12 -3,-1.9 2,-0.1 -16,-0.2 -4,-0.0 -0.423 64.2-111.2 -69.0 141.3 26.7 51.2 83.2 33 42 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.353 18.2-113.9 -76.0 154.4 26.0 48.7 86.0 34 43 A Q - 0 0 158 27,-0.1 2,-0.3 -2,-0.1 26,-0.0 -0.693 46.8-168.0 -80.3 134.5 28.4 46.1 87.4 35 44 A F - 0 0 31 -2,-0.3 25,-0.1 26,-0.1 -1,-0.0 -0.814 18.9-110.3-125.9 170.8 26.8 42.8 86.5 36 45 A K >> - 0 0 108 -2,-0.3 4,-1.3 1,-0.1 3,-0.9 -0.729 22.9-124.0-102.9 148.7 27.2 39.1 87.3 37 46 A P H 3> S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.801 112.7 60.0 -56.7 -31.1 28.5 36.4 85.0 38 47 A Q H 3> S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.843 99.0 57.7 -66.6 -33.2 25.3 34.4 85.4 39 48 A E H <> S+ 0 0 14 -3,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.937 109.5 45.0 -64.0 -38.4 23.5 37.4 84.0 40 49 A I H X S+ 0 0 6 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.847 108.9 55.4 -74.1 -34.1 25.7 37.0 80.8 41 50 A T H X S+ 0 0 78 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.927 107.2 50.3 -63.5 -44.4 25.3 33.3 80.6 42 51 A G H X S+ 0 0 15 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.879 111.3 48.1 -60.6 -42.5 21.5 33.7 80.6 43 52 A I H X S+ 0 0 1 -4,-1.5 4,-1.0 1,-0.2 3,-0.4 0.937 109.9 52.1 -65.3 -46.2 21.6 36.2 77.8 44 53 A M H >X S+ 0 0 49 -4,-2.5 4,-0.8 1,-0.2 3,-0.7 0.889 108.8 51.2 -58.5 -37.6 24.0 34.1 75.7 45 54 A K H 3X S+ 0 0 64 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.819 104.7 57.4 -69.6 -30.5 21.6 31.1 76.0 46 55 A D H 3< S+ 0 0 15 -4,-1.4 27,-0.4 -3,-0.4 -1,-0.2 0.700 100.5 56.0 -73.5 -20.3 18.7 33.3 74.9 47 56 A F H << S+ 0 0 18 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.757 114.9 41.8 -79.7 -20.8 20.5 34.1 71.6 48 57 A E H < S+ 0 0 129 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.867 127.8 25.7 -87.8 -47.8 20.7 30.4 71.1 49 58 A E S >< S- 0 0 103 -4,-2.7 3,-1.5 24,-0.0 -1,-0.2 -0.813 87.6-139.1-125.4 87.2 17.2 29.3 72.2 50 59 A P T 3 S+ 0 0 84 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.145 86.5 31.5 -48.8 137.1 14.8 32.2 71.8 51 60 A G T 3 S+ 0 0 46 -5,-0.2 -5,-0.1 3,-0.0 -4,-0.1 0.342 81.1 122.7 93.4 -0.6 12.3 32.7 74.6 52 61 A H S < S+ 0 0 81 -3,-1.5 4,-0.3 1,-0.2 -6,-0.1 0.856 78.1 35.9 -60.8 -38.7 14.8 31.3 77.2 53 62 A L S >> S+ 0 0 13 1,-0.1 4,-2.3 2,-0.1 3,-1.2 0.746 94.1 88.7 -86.9 -26.9 14.7 34.4 79.4 54 63 A A T 34 S+ 0 0 54 1,-0.3 3,-0.4 2,-0.2 13,-0.3 0.851 84.3 53.1 -37.8 -56.7 11.1 35.3 79.0 55 64 A P T 34 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.844 123.5 27.0 -55.8 -36.0 9.8 33.2 81.9 56 65 A T T <4 S- 0 0 85 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.516 108.1-121.4-107.1 -5.2 12.2 34.7 84.4 57 66 A G < - 0 0 4 -4,-2.3 2,-0.5 -3,-0.4 9,-0.2 -0.026 35.3 -73.6 84.8 161.7 12.8 38.1 83.0 58 67 A L E -F 65 0B 1 7,-3.2 7,-3.2 -4,-0.1 2,-0.4 -0.857 46.5-159.4 -98.6 128.2 16.2 39.6 82.0 59 68 A H E +F 64 0B 78 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.902 15.9 169.6-111.1 139.3 18.4 40.5 84.9 60 69 A L E > S-F 63 0B 0 3,-1.5 3,-2.1 -2,-0.4 -25,-0.1 -0.897 77.4 -12.1-151.9 114.0 21.3 43.0 84.5 61 70 A G T 3 S- 0 0 29 -2,-0.3 -27,-0.1 1,-0.3 -26,-0.1 0.848 130.6 -57.0 63.4 32.4 23.2 44.4 87.5 62 71 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 -29,-0.1 2,-0.3 0.197 109.2 128.7 83.4 -15.5 20.3 42.9 89.5 63 72 A I E < -F 60 0B 75 -3,-2.1 -3,-1.5 1,-0.1 2,-0.5 -0.533 53.8-135.7 -77.7 138.1 17.6 44.9 87.6 64 73 A K E -F 59 0B 132 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.787 20.9-174.4 -96.3 127.2 14.7 42.9 86.2 65 74 A Y E -F 58 0B 5 -7,-3.2 -7,-3.2 -2,-0.5 2,-0.5 -0.963 26.0-125.4-118.5 136.3 13.6 43.7 82.7 66 75 A M E -C 79 0A 124 13,-3.1 13,-2.4 -2,-0.4 2,-0.1 -0.710 31.5-122.8 -81.0 124.6 10.5 42.2 81.1 67 76 A V E +C 78 0A 32 -2,-0.5 11,-0.3 -13,-0.3 2,-0.2 -0.430 37.8 175.3 -68.7 137.2 11.5 40.5 77.8 68 77 A I E -C 77 0A 66 9,-2.6 9,-0.6 -2,-0.1 2,-0.2 -0.735 46.7 -39.2-130.8-176.4 9.6 41.8 74.8 69 78 A Q E + 0 0 161 -2,-0.2 2,-0.1 7,-0.1 -1,-0.1 -0.257 67.8 168.5 -52.5 114.0 9.7 41.2 71.1 70 79 A G E - 0 0 18 -2,-0.2 2,-0.5 7,-0.1 6,-0.2 -0.088 44.8 -88.7-105.1-155.4 13.4 40.9 70.0 71 80 A E E >> -C 75 0A 99 4,-3.3 4,-2.6 -2,-0.1 3,-2.0 -0.990 55.4-107.2-122.6 108.3 15.1 39.8 66.8 72 81 A A T 34 S- 0 0 88 -2,-0.5 -25,-0.1 1,-0.3 4,-0.1 -0.229 92.5 -8.9 -48.0 124.6 15.7 36.0 67.1 73 82 A G T 34 S+ 0 0 30 -27,-0.4 -1,-0.3 1,-0.1 -26,-0.1 0.290 135.8 55.6 70.1 -1.7 19.3 35.1 67.6 74 83 A A T <4 S+ 0 0 32 -3,-2.0 15,-2.8 1,-0.3 2,-0.4 0.717 106.4 21.9-127.7 -41.5 20.6 38.6 67.0 75 84 A V E < -CD 71 88A 18 -4,-2.6 -4,-3.3 13,-0.2 2,-0.3 -1.000 55.0-163.1-140.4 138.7 18.9 41.2 69.3 76 85 A I E - D 0 87A 6 11,-2.5 11,-2.2 -2,-0.4 2,-0.4 -0.916 10.0-164.3-115.4 142.7 17.1 41.0 72.7 77 86 A R E -CD 68 86A 50 -9,-0.6 -9,-2.6 -2,-0.3 2,-0.3 -0.977 6.6-178.2-134.6 146.7 14.8 43.7 74.1 78 87 A G E -CD 67 85A 1 7,-2.3 7,-2.0 -2,-0.4 2,-0.4 -0.963 14.8-142.8-140.6 155.3 13.4 44.4 77.6 79 88 A K E +CD 66 84A 65 -13,-2.4 -13,-3.1 -2,-0.3 2,-0.3 -0.909 15.9 174.0-119.9 143.9 11.1 46.9 79.3 80 89 A K E > - D 0 83A 61 3,-2.2 3,-1.5 -2,-0.4 -15,-0.1 -0.901 61.6 -60.8-147.4 116.6 11.4 48.3 82.8 81 90 A G T 3 S- 0 0 72 -2,-0.3 -1,-0.3 1,-0.3 19,-0.0 -0.015 120.6 -10.5 42.3-126.3 9.0 51.1 83.9 82 91 A S T 3 S+ 0 0 72 -3,-0.1 -1,-0.3 19,-0.1 2,-0.1 0.762 135.2 32.5 -75.3 -24.3 9.5 54.0 81.6 83 92 A G E < -D 80 0A 1 -3,-1.5 -3,-2.2 17,-0.1 2,-0.3 -0.166 63.5-175.2-113.5-150.8 12.7 52.8 79.8 84 93 A G E -DE 79 99A 0 15,-1.3 15,-2.1 -5,-0.3 2,-0.3 -0.948 20.0 -92.8-177.5-162.2 14.3 49.6 78.7 85 94 A I E -DE 78 98A 1 -7,-2.0 -7,-2.3 -2,-0.3 2,-0.4 -0.985 12.7-163.0-144.8 151.4 17.3 47.8 77.2 86 95 A T E -DE 77 97A 5 11,-2.3 11,-2.1 -2,-0.3 2,-0.4 -0.996 9.4-173.7-132.5 133.0 18.6 46.5 73.9 87 96 A I E -DE 76 96A 0 -11,-2.2 -11,-2.5 -2,-0.4 2,-0.4 -0.994 4.2-166.6-131.9 123.2 21.3 43.9 73.6 88 97 A K E -DE 75 95A 29 7,-2.4 7,-2.6 -2,-0.4 2,-0.4 -0.949 14.1-138.9-113.2 133.2 22.8 43.0 70.2 89 98 A K E - E 0 94A 61 -15,-2.8 5,-0.2 -2,-0.4 2,-0.2 -0.720 24.4-178.9 -89.0 136.9 25.0 39.9 69.7 90 99 A T - 0 0 0 3,-3.0 27,-0.1 -2,-0.4 -69,-0.0 -0.670 47.9 -80.4-122.2-178.4 28.0 40.4 67.4 91 100 A G S S+ 0 0 47 33,-1.7 33,-0.1 -2,-0.2 29,-0.0 0.902 123.8 0.2 -51.1 -45.7 30.7 37.9 66.3 92 101 A Q S S+ 0 0 104 -72,-0.0 -71,-2.0 -71,-0.0 -70,-0.3 0.552 127.2 39.5-123.9 -9.6 32.7 38.3 69.5 93 102 A A E -A 20 0A 0 -73,-0.3 -3,-3.0 -72,-0.1 2,-0.4 -0.641 63.7-121.0-130.2-172.7 30.8 40.7 71.7 94 103 A L E -AE 19 89A 0 -75,-1.5 -75,-1.9 -5,-0.2 2,-0.6 -1.000 19.5-148.3-132.9 125.6 27.5 42.0 73.1 95 104 A V E -AE 18 88A 0 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.4 -0.911 16.7-163.6-101.1 124.5 26.4 45.6 72.6 96 105 A F E +AE 17 87A 0 -79,-2.9 -79,-1.9 -2,-0.6 2,-0.4 -0.909 10.4 179.7-110.8 138.5 24.2 46.9 75.5 97 106 A G E -AE 16 86A 0 -11,-2.1 -11,-2.3 -2,-0.4 2,-0.5 -0.975 5.5-169.6-141.2 119.4 22.1 50.0 75.3 98 107 A I E -AE 15 85A 9 -83,-2.9 -84,-2.2 -2,-0.4 -83,-1.3 -0.955 11.9-172.7-113.8 126.1 19.9 51.2 78.2 99 108 A Y E - E 0 84A 7 -15,-2.1 -15,-1.3 -2,-0.5 2,-0.3 -0.718 8.5-168.6-118.4 167.1 17.4 53.9 77.7 100 109 A E > - 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