==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-JAN-09 3FRN . COMPND 2 MOLECULE: FLAGELLAR PROTEIN FLGA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.PATSKOVSKY,J.B.BONNANO,R.ROMERO,M.GILMORE,S.HU,K.BAIN,J.KO . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 6 2 1 3 1 0 3 1 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 . 2 2 0 0 1 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 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 17 A S 0 0 122 0, 0.0 2,-0.3 0, 0.0 55,-0.2 0.000 360.0 360.0 360.0 -83.1 -4.5 -11.5 32.6 2 18 A L - 0 0 105 53,-0.1 55,-2.1 55,-0.1 2,-0.7 -0.752 360.0-132.0 -99.0 152.9 -3.9 -7.7 32.1 3 19 A T E -a 57 0A 80 -2,-0.3 2,-0.5 53,-0.2 55,-0.2 -0.921 26.8-164.2-104.3 107.2 -3.7 -6.0 28.7 4 20 A L E -a 58 0A 3 53,-2.0 55,-2.0 -2,-0.7 2,-0.4 -0.808 14.3-133.3 -97.7 127.6 -0.7 -3.8 28.7 5 21 A T E -a 59 0A 48 -2,-0.5 19,-2.2 53,-0.2 20,-0.3 -0.641 23.9-132.8 -78.3 132.2 -0.3 -1.1 26.1 6 22 A L B -B 23 0B 4 53,-2.1 17,-0.2 -2,-0.4 2,-0.1 -0.630 12.2-120.7 -88.7 140.8 3.2 -1.0 24.5 7 23 A K - 0 0 66 15,-2.0 3,-0.1 -2,-0.3 58,-0.1 -0.430 16.0-135.8 -68.1 153.0 5.3 2.1 24.0 8 24 A E S S- 0 0 148 1,-0.3 57,-2.0 56,-0.1 2,-0.3 0.944 81.1 -0.7 -76.5 -51.6 6.2 2.9 20.4 9 25 A T E -c 65 0C 83 55,-0.2 2,-0.3 -3,-0.0 -1,-0.3 -0.909 60.9-160.4-134.1 163.7 9.8 3.7 21.0 10 26 A L E -c 66 0C 35 55,-2.3 57,-2.3 -2,-0.3 2,-0.6 -0.961 11.3-149.1-146.7 127.9 12.2 3.9 24.0 11 27 A L E +c 67 0C 115 -2,-0.3 2,-0.2 55,-0.2 57,-0.2 -0.879 36.0 174.1 -92.5 120.4 15.6 5.6 24.5 12 28 A A E -c 68 0C 13 55,-3.5 57,-2.9 -2,-0.6 5,-0.0 -0.639 29.5-132.3-123.2 175.8 17.6 3.6 26.9 13 29 A S - 0 0 73 55,-0.2 23,-0.1 -2,-0.2 57,-0.1 -0.829 50.6 -73.5-121.9 162.1 21.0 3.2 28.5 14 30 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.295 90.9 70.8 -61.9 145.4 23.1 0.1 28.8 15 31 A G E S-I 36 0D 13 21,-1.6 21,-2.3 -3,-0.0 2,-0.5 -0.963 89.1 -29.1 157.7-139.8 21.8 -2.4 31.3 16 32 A V E -I 35 0D 49 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.977 51.8-140.0-118.7 129.8 18.8 -4.8 31.7 17 33 A L E -I 34 0D 0 17,-2.5 16,-2.4 -2,-0.5 17,-0.9 -0.747 18.7-166.0 -88.7 134.0 15.5 -4.0 30.1 18 34 A F >> - 0 0 54 -2,-0.4 3,-2.0 14,-0.2 4,-0.6 -0.876 34.3-110.6-117.6 153.3 12.3 -4.7 32.1 19 35 A L G >4 S+ 0 0 2 12,-0.4 3,-1.3 -2,-0.3 4,-0.3 0.829 115.1 64.3 -46.0 -43.0 8.7 -4.9 30.9 20 36 A D G >4 S+ 0 0 32 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.779 95.1 61.3 -53.4 -31.5 7.9 -1.7 32.9 21 37 A D G <4 S+ 0 0 59 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.800 109.4 39.4 -67.3 -31.8 10.2 0.2 30.5 22 38 A I G << S+ 0 0 0 -3,-1.3 -15,-2.0 -4,-0.6 2,-0.3 0.178 103.0 82.2-108.1 16.2 8.2 -0.7 27.4 23 39 A T B < -B 6 0B 1 -3,-0.8 -17,-0.2 -4,-0.3 4,-0.1 -0.906 68.2-140.5-118.8 151.7 4.7 -0.3 28.8 24 40 A I S S+ 0 0 118 -19,-2.2 2,-0.2 -2,-0.3 -1,-0.1 0.889 88.1 61.7 -74.0 -40.7 2.5 2.8 29.3 25 41 A E S S- 0 0 74 -20,-0.3 2,-0.5 1,-0.1 -2,-0.1 -0.518 98.6 -97.5 -85.5 155.2 1.1 1.6 32.7 26 42 A K + 0 0 171 -2,-0.2 2,-0.4 -5,-0.0 -1,-0.1 -0.602 46.4 174.5 -75.1 119.6 3.3 1.0 35.8 27 43 A V - 0 0 28 -2,-0.5 2,-0.6 -4,-0.1 -7,-0.2 -0.973 26.2-137.3-123.2 140.9 4.1 -2.7 36.2 28 44 A E + 0 0 175 -2,-0.4 2,-0.3 -9,-0.1 -2,-0.0 -0.889 40.8 147.3 -96.0 122.0 6.4 -4.2 38.8 29 45 A S - 0 0 39 -2,-0.6 -9,-0.2 1,-0.1 -2,-0.1 -0.962 32.5-171.7-156.9 142.3 8.7 -6.9 37.4 30 46 A E + 0 0 165 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.314 51.1 114.5-117.6 3.3 12.2 -8.2 38.1 31 47 A K - 0 0 99 1,-0.1 2,-0.4 2,-0.0 -12,-0.4 -0.614 69.8-114.9 -86.1 138.3 12.7 -10.5 35.2 32 48 A N + 0 0 57 -2,-0.3 -14,-0.2 1,-0.2 3,-0.1 -0.560 35.4 171.9 -72.3 119.7 15.4 -9.8 32.5 33 49 A L - 0 0 2 -16,-2.4 65,-0.4 -2,-0.4 2,-0.3 0.878 65.7 -3.7 -93.4 -52.4 13.8 -9.2 29.1 34 50 A M E -I 17 0D 0 -17,-0.9 -17,-2.5 63,-0.1 2,-0.7 -0.972 61.0-124.3-140.7 152.6 16.8 -8.0 27.1 35 51 A I E -I 16 0D 2 -2,-0.3 2,-0.6 -19,-0.2 -19,-0.2 -0.913 33.4-146.7 -94.8 112.9 20.5 -7.2 27.7 36 52 A L E -I 15 0D 5 -21,-2.3 -21,-1.6 -2,-0.7 5,-0.0 -0.726 16.7-170.7 -91.4 115.7 20.9 -3.6 26.5 37 53 A L > - 0 0 0 -2,-0.6 3,-1.5 -23,-0.2 31,-0.2 -0.813 33.3 -90.2-110.8 147.6 24.3 -2.9 24.9 38 54 A P T 3 S+ 0 0 13 0, 0.0 37,-0.4 0, 0.0 32,-0.3 -0.219 103.0 6.6 -65.1 140.1 25.5 0.6 24.0 39 55 A G T 3 S+ 0 0 22 29,-1.9 2,-0.3 30,-0.3 31,-0.1 0.458 98.7 118.2 80.4 3.1 24.8 1.8 20.5 40 56 A L < - 0 0 0 -3,-1.5 28,-1.7 29,-0.2 2,-0.4 -0.749 58.7-129.3-105.0 152.6 22.6 -1.0 19.4 41 57 A E E -D 67 0C 42 52,-0.4 54,-2.7 -2,-0.3 2,-0.3 -0.827 22.2-159.7-102.5 136.7 18.9 -1.0 18.3 42 58 A Y E -De 66 95C 0 24,-3.2 24,-2.4 -2,-0.4 2,-0.5 -0.859 10.5-161.8-117.6 149.0 16.4 -3.4 19.8 43 59 A L E -D 65 0C 8 52,-2.9 2,-0.7 -2,-0.3 22,-0.2 -0.943 10.3-154.1-130.1 108.9 13.1 -4.6 18.6 44 60 A V E -D 64 0C 0 20,-2.8 20,-1.8 -2,-0.5 2,-0.2 -0.765 22.8-162.5 -83.5 115.5 10.8 -6.1 21.3 45 61 A T > - 0 0 29 -2,-0.7 4,-1.8 51,-0.4 18,-0.1 -0.495 31.6-118.2 -97.7 165.7 8.5 -8.5 19.5 46 62 A R H > S+ 0 0 70 16,-0.3 4,-2.4 1,-0.2 5,-0.2 0.792 116.5 58.5 -68.0 -32.1 5.2 -10.2 20.4 47 63 A D H > S+ 0 0 108 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.817 106.1 48.5 -68.0 -33.1 6.9 -13.5 20.1 48 64 A L H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 113.4 47.1 -67.4 -44.4 9.4 -12.4 22.7 49 65 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 7,-0.2 0.836 108.1 54.5 -69.5 -32.9 6.5 -11.3 24.9 50 66 A R H < S+ 0 0 192 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.828 113.7 44.4 -67.6 -31.7 4.5 -14.5 24.4 51 67 A T H < S+ 0 0 101 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.929 121.6 35.2 -76.0 -49.8 7.6 -16.4 25.6 52 68 A K H < S+ 0 0 57 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.947 135.9 19.2 -73.5 -51.3 8.5 -14.2 28.6 53 69 A F >< + 0 0 7 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 -0.699 64.7 158.3-123.2 79.7 5.0 -13.3 29.7 54 70 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.604 72.8 66.0 -74.0 -11.0 2.5 -15.8 28.3 55 71 A E T 3 S+ 0 0 101 -3,-0.1 2,-0.3 2,-0.0 -5,-0.1 0.636 95.5 65.2 -86.1 -17.3 0.0 -14.9 31.0 56 72 A Y S < S- 0 0 75 -3,-0.9 2,-0.3 -7,-0.2 -53,-0.2 -0.773 71.9-138.0-107.2 151.1 -0.5 -11.3 29.8 57 73 A D E -a 3 0A 107 -55,-2.1 -53,-2.0 -2,-0.3 2,-0.4 -0.731 19.3-147.5 -99.4 157.4 -2.0 -9.9 26.6 58 74 A F E -a 4 0A 29 -2,-0.3 2,-0.2 -55,-0.2 -53,-0.2 -0.987 15.2-179.9-134.0 134.7 -0.4 -7.0 24.8 59 75 A T E +a 5 0A 68 -55,-2.0 -53,-2.1 -2,-0.4 -55,-0.0 -0.720 42.9 56.5-121.2 174.5 -1.8 -4.1 22.7 60 76 A G S S+ 0 0 41 -2,-0.2 -53,-0.1 -55,-0.2 -52,-0.1 -0.790 92.9 5.4 108.1-152.0 -0.3 -1.2 20.9 61 77 A P S S- 0 0 44 0, 0.0 -55,-0.1 0, 0.0 3,-0.1 -0.223 71.9-113.0 -64.6 158.1 2.4 -1.2 18.1 62 78 A E S S+ 0 0 129 1,-0.1 -16,-0.3 -17,-0.0 2,-0.3 0.910 97.3 9.1 -59.5 -46.5 3.6 -4.5 16.7 63 79 A N S S- 0 0 40 -18,-0.1 2,-0.5 -55,-0.1 -18,-0.2 -0.917 71.6-125.2-132.3 156.8 7.1 -4.1 18.1 64 80 A V E - D 0 44C 0 -20,-1.8 -20,-2.8 -2,-0.3 2,-0.6 -0.931 24.8-145.7-102.2 128.1 8.8 -1.7 20.6 65 81 A R E -cD 9 43C 89 -57,-2.0 -55,-2.3 -2,-0.5 2,-0.5 -0.853 16.4-169.8-101.0 116.2 11.9 0.0 19.1 66 82 A I E -cD 10 42C 0 -24,-2.4 -24,-3.2 -2,-0.6 2,-0.5 -0.904 9.4-164.6-112.8 124.0 14.7 0.7 21.7 67 83 A T E -cD 11 41C 56 -57,-2.3 -55,-3.5 -2,-0.5 2,-0.6 -0.919 12.5-151.2-103.0 123.7 17.8 2.8 21.0 68 84 A V E -c 12 0C 3 -28,-1.7 -29,-1.9 -2,-0.5 -55,-0.2 -0.889 15.0-129.7 -97.7 121.0 20.6 2.3 23.5 69 85 A E + 0 0 108 -57,-2.9 -30,-0.3 -2,-0.6 2,-0.2 -0.119 54.5 95.2 -53.5 155.4 22.9 5.3 24.1 70 86 A G S S- 0 0 51 -32,-0.3 -33,-0.0 -31,-0.1 -2,-0.0 -0.629 75.4 -49.5 140.9 162.9 26.6 4.9 24.0 71 87 A Y - 0 0 214 -2,-0.2 3,-0.3 1,-0.1 4,-0.3 -0.209 50.4-127.2 -57.8 155.4 29.8 5.1 21.8 72 88 A S S > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.1 5,-0.1 0.217 80.9 99.7-100.3 16.8 29.4 3.4 18.5 73 89 A S H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 83.3 45.6 -74.7 -42.7 32.4 1.1 18.6 74 90 A L H > S+ 0 0 4 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.968 114.9 49.5 -62.5 -53.6 30.8 -2.1 19.6 75 91 A K H > S+ 0 0 76 -37,-0.4 4,-3.6 -4,-0.3 5,-0.2 0.914 111.5 49.3 -45.3 -55.1 28.0 -1.5 17.0 76 92 A N H X S+ 0 0 80 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.911 113.0 46.3 -53.7 -47.5 30.6 -0.8 14.3 77 93 A A H X S+ 0 0 34 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.841 115.3 47.0 -70.2 -33.0 32.5 -4.0 15.2 78 94 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.958 114.0 47.0 -68.4 -51.8 29.3 -6.0 15.3 79 95 A F H X S+ 0 0 45 -4,-3.6 4,-2.6 1,-0.2 -2,-0.2 0.864 109.8 53.0 -59.8 -42.2 28.0 -4.6 12.0 80 96 A E H X S+ 0 0 128 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.907 112.1 47.2 -56.7 -42.2 31.4 -5.1 10.2 81 97 A E H X S+ 0 0 42 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.896 110.2 49.5 -69.0 -44.8 31.2 -8.7 11.4 82 98 A I H X S+ 0 0 0 -4,-2.6 4,-3.8 1,-0.2 5,-0.4 0.958 106.8 58.7 -56.6 -49.8 27.6 -9.3 10.3 83 99 A G H X S+ 0 0 18 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.825 107.7 46.3 -45.8 -40.7 28.5 -7.8 6.9 84 100 A K H < S+ 0 0 137 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.906 119.6 36.7 -73.1 -44.7 31.2 -10.5 6.5 85 101 A K H < S+ 0 0 133 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.819 122.1 44.1 -80.0 -31.1 29.1 -13.5 7.5 86 102 A A H < S- 0 0 11 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.821 97.8-133.0 -79.7 -32.8 25.8 -12.3 5.9 87 103 A E < + 0 0 189 -4,-1.4 -4,-0.1 -5,-0.4 -3,-0.1 0.132 67.0 118.3 94.6 -9.5 27.4 -11.1 2.6 88 104 A A - 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