==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 25-JUN-04 1WLG . COMPND 2 MOLECULE: FLAGELLAR HOOK PROTEIN FLGE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR F.A.SAMATEY,H.MATSUNAMI,K.IMADA,S.NAGASHIMA,T.R.SHAIKH, . 586 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 220 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 20 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0.2 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 . 50 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0 0 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 4 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 . 15 13 6 6 6 2 0 4 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 . 3 0 0 2 4 0 0 2 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 71 A G 0 0 74 0, 0.0 2,-0.2 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 108.1 39.8 13.7 37.5 2 72 A L E -A 29 0A 5 27,-3.1 27,-1.8 287,-0.1 2,-0.4 -0.650 360.0-160.5 -96.1 150.9 43.3 15.1 38.1 3 73 A D E +A 28 0A 100 -2,-0.2 25,-0.2 25,-0.2 285,-0.2 -0.940 31.2 143.1-137.0 109.6 45.0 17.8 36.0 4 74 A V + 0 0 6 23,-2.6 24,-0.1 -2,-0.4 285,-0.1 -0.413 25.6 168.7-136.3 56.2 48.7 18.3 36.0 5 75 A A - 0 0 36 22,-0.2 2,-0.5 1,-0.1 281,-0.4 -0.380 30.4-121.5 -73.9 160.4 49.5 19.1 32.4 6 76 A I + 0 0 22 19,-1.9 4,-0.1 1,-0.1 -1,-0.1 -0.893 30.4 175.1-117.3 114.5 53.0 20.4 31.5 7 77 A S S S+ 0 0 114 -2,-0.5 -1,-0.1 2,-0.1 2,-0.1 0.469 75.6 65.7 -84.5 -5.4 53.9 23.8 29.7 8 78 A Q S S- 0 0 114 1,-0.1 2,-0.3 17,-0.1 -2,-0.1 -0.305 98.2 -75.0-102.0-177.6 57.6 22.9 30.3 9 79 A N S S+ 0 0 73 272,-0.1 274,-0.3 -2,-0.1 2,-0.2 -0.605 85.6 74.8 -82.7 152.2 60.0 20.3 29.1 10 80 A G - 0 0 0 -2,-0.3 2,-0.4 237,-0.1 238,-0.2 -0.293 64.9-132.6 114.2 148.1 59.8 16.8 30.4 11 81 A F E -B 247 0B 3 236,-1.4 236,-2.0 -2,-0.2 14,-0.2 -0.964 17.9-114.6-126.4 147.0 57.2 14.2 29.5 12 82 A F E -BC 246 24B 0 12,-2.7 12,-1.9 -2,-0.4 2,-0.5 -0.549 33.6-129.1 -69.8 152.6 55.2 12.0 31.7 13 83 A R E + C 0 23B 34 232,-0.8 33,-2.4 33,-0.4 2,-0.3 -0.949 32.5 178.8-112.9 118.7 56.1 8.3 31.2 14 84 A L E -DC 45 22B 2 8,-2.9 8,-3.0 -2,-0.5 2,-0.4 -0.819 15.0-155.4-119.2 157.0 53.2 6.0 30.5 15 85 A V E -DC 44 21B 14 29,-2.0 29,-3.0 -2,-0.3 6,-0.2 -0.989 13.3-135.2-128.4 145.7 52.7 2.3 29.7 16 86 A D > - 0 0 46 4,-2.0 3,-2.2 -2,-0.4 27,-0.1 -0.325 46.2 -90.5 -81.5 176.1 49.9 0.4 28.0 17 87 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 26,-0.0 0.681 128.8 57.7 -70.6 -11.6 48.6 -2.8 29.6 18 88 A N T 3 S- 0 0 145 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.445 119.5-108.4 -88.7 -2.9 51.3 -4.8 27.6 19 89 A G < + 0 0 47 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.432 67.5 147.1 91.4 0.4 54.2 -2.8 29.1 20 90 A S - 0 0 60 1,-0.1 -4,-2.0 -5,-0.0 2,-0.4 -0.495 45.2-126.8 -70.9 142.8 55.1 -0.7 26.0 21 91 A V E +C 15 0B 45 -6,-0.2 244,-0.4 -2,-0.2 2,-0.2 -0.782 32.0 170.8-106.0 135.4 56.3 2.7 27.1 22 92 A F E -C 14 0B 31 -8,-3.0 -8,-2.9 -2,-0.4 2,-0.3 -0.786 18.5-140.6-135.6 169.9 55.0 6.0 25.8 23 93 A Y E +CE 13 263B 18 240,-2.0 240,-2.5 -2,-0.2 2,-0.3 -0.987 21.7 163.1-139.8 142.4 55.5 9.7 26.7 24 94 A S E -C 12 0B 1 -12,-1.9 -12,-2.7 -2,-0.3 238,-0.1 -0.955 37.3-148.2-160.8 145.3 53.2 12.7 26.9 25 95 A R S S+ 0 0 70 236,-0.5 -19,-1.9 -2,-0.3 2,-0.2 0.553 70.4 111.2 -84.2 -14.7 52.9 16.2 28.3 26 96 A N - 0 0 52 235,-0.5 -14,-0.1 -21,-0.2 -2,-0.1 -0.442 49.3-169.6 -59.0 127.2 49.1 15.8 28.7 27 97 A G + 0 0 0 -2,-0.2 -23,-2.6 2,-0.0 2,-0.7 -0.064 38.9 125.6-114.9 36.4 48.4 15.7 32.4 28 98 A Q E +A 3 0A 84 -25,-0.2 2,-0.4 -24,-0.1 -25,-0.2 -0.844 35.1 169.1 -98.7 109.6 44.7 14.6 32.5 29 99 A F E -A 2 0A 4 -27,-1.8 -27,-3.1 -2,-0.7 2,-0.4 -0.915 22.0-164.5-125.4 144.6 44.4 11.5 34.7 30 100 A K E -F 38 0B 127 8,-1.8 8,-2.6 -2,-0.4 2,-0.8 -0.968 27.6-121.7-119.4 145.6 41.6 9.6 36.1 31 101 A L E -F 37 0B 18 -2,-0.4 414,-0.4 6,-0.2 6,-0.2 -0.765 38.7-160.7 -86.2 109.0 41.9 7.0 38.9 32 102 A D > - 0 0 3 4,-2.4 3,-1.9 -2,-0.8 412,-0.3 -0.100 33.9 -91.3 -86.0-176.2 40.5 3.8 37.5 33 103 A E T 3 S+ 0 0 80 410,-2.5 411,-0.1 1,-0.3 409,-0.1 0.794 126.3 58.9 -68.2 -26.9 39.2 0.5 39.1 34 104 A N T 3 S- 0 0 103 409,-0.2 -1,-0.3 407,-0.2 3,-0.1 0.433 117.7-116.6 -76.7 -4.6 42.6 -1.0 38.9 35 105 A R S < S+ 0 0 63 -3,-1.9 33,-2.4 1,-0.3 2,-0.2 0.677 73.3 129.6 71.3 23.1 43.8 2.0 41.1 36 106 A N - 0 0 14 31,-0.2 -4,-2.4 32,-0.0 2,-0.6 -0.671 64.8-117.1 -93.8 159.5 46.1 3.3 38.4 37 107 A L E -F 31 0B 0 29,-0.5 8,-3.1 8,-0.3 2,-0.3 -0.895 44.4-173.6 -96.1 114.1 46.2 6.9 37.0 38 108 A V E -FG 30 44B 6 -8,-2.6 -8,-1.8 -2,-0.6 6,-0.2 -0.853 22.5-134.5-118.7 148.0 45.2 6.7 33.4 39 109 A N > - 0 0 16 4,-2.0 3,-1.8 -2,-0.3 -10,-0.1 -0.193 51.1 -82.6 -81.1-174.1 45.0 9.0 30.4 40 110 A M T 3 S+ 0 0 146 1,-0.3 433,-0.2 -12,-0.2 436,-0.2 0.735 131.9 52.8 -71.8 -20.8 42.0 9.0 28.0 41 111 A Q T 3 S- 0 0 56 2,-0.1 -1,-0.3 434,-0.1 434,-0.2 0.367 120.2-108.0 -87.7 1.3 43.4 6.0 26.1 42 112 A G < + 0 0 20 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.553 67.2 150.4 82.2 9.6 43.8 4.0 29.3 43 113 A M - 0 0 16 -27,-0.1 -4,-2.0 1,-0.1 2,-0.4 -0.529 45.4-120.1 -74.5 147.6 47.6 4.2 29.5 44 114 A Q E -DG 15 38B 28 -29,-3.0 -29,-2.0 -6,-0.2 -6,-0.2 -0.741 13.9-126.6-100.0 126.1 49.0 4.1 33.0 45 115 A L E -D 14 0B 0 -8,-3.1 21,-2.9 -2,-0.4 -8,-0.3 -0.473 33.2-150.8 -65.7 137.8 51.1 6.9 34.5 46 116 A T E +J 65 0C 0 -33,-2.4 199,-1.6 19,-0.3 -33,-0.4 -0.765 28.2 135.3-117.0 160.9 54.4 5.5 35.9 47 117 A G E -JK 64 244C 1 17,-2.4 17,-2.4 -2,-0.3 197,-0.3 -0.970 56.0 -51.1-178.5 179.2 56.8 6.4 38.6 48 118 A Y E - K 0 243C 37 195,-2.3 195,-1.9 -2,-0.3 2,-0.1 -0.508 55.3-127.1 -71.9 134.2 58.9 5.1 41.5 49 119 A P E - K 0 242C 49 0, 0.0 9,-0.5 0, 0.0 2,-0.4 -0.341 18.0-118.0 -72.7 160.9 57.1 2.8 43.9 50 120 A A - 0 0 27 191,-0.7 2,-0.3 7,-0.1 7,-0.2 -0.861 35.3-179.8 -98.5 140.0 57.1 3.4 47.7 51 121 A T B > +O 56 0D 70 5,-2.5 5,-2.3 -2,-0.4 189,-0.1 -0.919 32.3 29.4-135.1 163.5 58.6 0.8 50.0 52 122 A G T 5S- 0 0 52 -2,-0.3 -2,-0.0 3,-0.2 0, 0.0 -0.192 86.6 -52.8 89.5 179.2 59.2 0.1 53.7 53 123 A T T 5S+ 0 0 141 1,-0.4 -1,-0.1 2,-0.1 3,-0.0 -0.906 137.7 31.3-137.4 111.1 57.4 1.2 56.9 54 124 A P T 5S- 0 0 106 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.507 116.1-121.7 -69.8 150.0 57.1 4.0 56.9 55 125 A P T 5 + 0 0 32 0, 0.0 185,-0.4 0, 0.0 2,-0.3 -0.406 41.2 171.5 -58.0 140.3 56.8 3.9 53.1 56 126 A T B < -O 51 0D 85 -5,-2.3 -5,-2.5 183,-0.1 2,-0.6 -0.928 35.0-109.3-142.0 163.5 59.5 6.0 51.3 57 127 A I - 0 0 43 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.1 -0.888 33.2-152.3 -96.0 116.3 60.8 6.6 47.7 58 128 A Q > - 0 0 68 -2,-0.6 3,-0.8 -9,-0.5 -10,-0.0 -0.484 20.3-131.8 -80.2 148.9 64.3 5.2 46.9 59 129 A Q T 3 S+ 0 0 210 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.731 102.8 64.9 -70.2 -16.1 66.8 6.5 44.3 60 130 A G T 3 S+ 0 0 79 2,-0.0 -1,-0.2 -12,-0.0 2,-0.2 0.243 79.2 127.1 -88.9 19.3 67.3 2.8 43.1 61 131 A A < - 0 0 16 -3,-0.8 -13,-0.1 -12,-0.1 -4,-0.0 -0.470 55.4-134.2 -99.2 146.5 63.8 2.2 41.7 62 132 A N - 0 0 126 -2,-0.2 -15,-0.1 1,-0.1 2,-0.1 -0.752 37.1-112.0 -84.0 129.2 62.3 0.9 38.5 63 133 A P + 0 0 20 0, 0.0 -15,-0.2 0, 0.0 -17,-0.1 -0.413 46.6 167.6 -62.6 142.3 59.4 3.0 37.3 64 134 A A E -J 47 0C 36 -17,-2.4 -17,-2.4 -2,-0.1 3,-0.1 -0.917 46.5 -61.7-146.8 162.3 56.2 1.1 37.4 65 135 A P E -J 46 0C 51 0, 0.0 -19,-0.3 0, 0.0 2,-0.2 -0.267 58.8-116.4 -50.1 129.1 52.4 2.0 37.1 66 136 A I - 0 0 4 -21,-2.9 -29,-0.5 -29,-0.2 2,-0.4 -0.515 33.4-161.6 -63.3 134.7 51.5 4.4 40.0 67 137 A T - 0 0 64 174,-0.4 -31,-0.2 -2,-0.2 -32,-0.1 -0.983 19.5-168.8-117.3 145.2 48.9 2.9 42.3 68 138 A I - 0 0 0 -33,-2.4 -2,-0.0 -2,-0.4 -32,-0.0 -0.771 25.2-158.7-122.3 80.4 46.7 4.7 44.7 69 139 A P - 0 0 40 0, 0.0 -34,-0.0 0, 0.0 -35,-0.0 -0.248 19.0-145.6 -63.8 148.0 45.3 1.7 46.7 70 140 A N + 0 0 114 147,-0.0 148,-0.5 2,-0.0 3,-0.1 0.462 59.8 126.8 -88.4 0.7 42.0 2.1 48.7 71 141 A T - 0 0 88 1,-0.1 3,-0.0 146,-0.1 147,-0.0 -0.184 69.0 -98.7 -62.3 144.0 43.4 -0.2 51.4 72 142 A L - 0 0 108 145,-0.1 2,-0.5 1,-0.1 145,-0.2 -0.309 32.2-115.1 -56.0 145.3 43.4 1.0 55.0 73 143 A M B -P 216 0E 7 143,-2.9 143,-2.2 -3,-0.1 -1,-0.1 -0.777 42.9-116.4 -77.4 128.1 46.5 2.4 56.5 74 144 A A - 0 0 70 -2,-0.5 45,-0.1 141,-0.2 46,-0.1 -0.259 25.4-105.4 -68.5 151.8 47.5 -0.0 59.2 75 145 A A - 0 0 18 43,-0.4 2,-0.5 140,-0.1 139,-0.2 -0.260 27.5-134.9 -64.9 158.7 47.6 1.0 62.9 76 146 A K B -Q 213 0F 83 137,-2.2 137,-1.9 41,-0.1 2,-0.2 -0.993 15.2-131.1-120.2 122.5 50.9 1.4 64.5 77 147 A S - 0 0 27 -2,-0.5 40,-0.2 135,-0.2 2,-0.2 -0.460 33.9-105.7 -66.1 137.9 51.4 -0.2 68.0 78 148 A T + 0 0 0 38,-2.6 109,-0.4 -2,-0.2 -1,-0.1 -0.518 44.1 166.3 -70.0 131.0 52.9 2.3 70.4 79 149 A T + 0 0 75 1,-0.3 110,-2.2 -2,-0.2 2,-0.4 0.409 66.0 37.2-119.7 -11.6 56.5 1.8 71.3 80 150 A T E +r 189 0G 70 108,-0.2 131,-1.6 94,-0.0 2,-0.3 -0.998 58.2 165.8-135.9 150.0 57.3 5.1 73.0 81 151 A A E -rS 190 210G 5 108,-2.5 110,-2.2 -2,-0.4 2,-0.3 -0.975 11.9-162.6-151.1 158.6 55.4 7.4 75.3 82 152 A S E -rS 191 209G 45 127,-2.8 127,-1.8 -2,-0.3 2,-0.3 -0.982 9.0-171.6-142.3 152.6 56.3 10.3 77.5 83 153 A M E - S 0 208G 1 108,-2.3 2,-0.6 -2,-0.3 125,-0.2 -0.943 9.1-160.8-144.7 121.2 54.8 12.3 80.4 84 154 A Q E + S 0 207G 58 123,-2.7 122,-2.2 -2,-0.3 123,-1.3 -0.926 20.5 178.3-104.9 119.1 56.3 15.5 81.7 85 155 A I E - S 0 205G 0 -2,-0.6 111,-1.9 107,-0.3 2,-0.6 -0.922 27.9-146.4-127.1 143.2 55.1 16.3 85.2 86 156 A N E -tS 196 204G 26 118,-2.5 118,-2.2 -2,-0.4 2,-0.3 -0.963 25.8-163.0-103.0 118.0 55.9 19.1 87.7 87 157 A L E -t 197 0G 0 109,-2.8 111,-2.6 -2,-0.6 2,-0.7 -0.802 17.9-121.2-108.9 145.4 55.6 17.6 91.2 88 158 A N E > -t 198 0G 10 -2,-0.3 3,-2.1 109,-0.2 111,-0.2 -0.758 10.0-156.0 -92.1 114.4 55.3 19.6 94.4 89 159 A S T 3 S+ 0 0 35 109,-2.8 46,-0.2 -2,-0.7 -1,-0.1 0.781 94.2 57.9 -59.3 -26.9 58.1 19.1 97.0 90 160 A T T 3 S+ 0 0 95 109,-0.3 -1,-0.3 108,-0.2 110,-0.1 0.444 80.0 123.6 -84.2 0.9 55.7 20.2 99.8 91 161 A D < - 0 0 28 -3,-2.1 2,-0.1 1,-0.1 17,-0.0 -0.182 63.6-113.1 -59.0 149.1 53.1 17.5 99.0 92 162 A P - 0 0 90 0, 0.0 39,-0.3 0, 0.0 -1,-0.1 -0.511 20.5-114.5 -78.3 153.8 52.1 15.1 101.8 93 163 A V - 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