==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FIBRIL PROTEIN 25-MAY-06 2CO3 . COMPND 2 MOLECULE: SAFA PILUS SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR H.REMAUT,R.J.ROSE,T.J.HANNAN,S.J.HULTGREN,S.E.RADFORD, . 269 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 40.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.9 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 . 2 0.7 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 . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 2 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 . 2 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 . 1 3 2 5 4 3 1 0 1 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 0 0 2 2 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 1 A G 0 0 115 0, 0.0 267,-0.1 0, 0.0 265,-0.0 0.000 360.0 360.0 360.0-177.0 36.8 5.3 28.6 2 2 A S + 0 0 26 265,-0.4 2,-0.2 150,-0.1 266,-0.1 0.470 360.0 109.2 -94.4 -0.8 38.2 8.6 27.5 3 10 A Q - 0 0 92 263,-0.2 2,-0.3 264,-0.1 263,-0.2 -0.520 50.0-169.6 -74.6 141.2 40.1 7.1 24.5 4 11 A K E -A 265 0A 45 261,-2.8 261,-2.6 -2,-0.2 2,-0.3 -0.980 9.8-164.5-135.1 147.8 38.6 8.0 21.1 5 12 A S E +A 264 0A 69 -2,-0.3 2,-0.3 259,-0.2 259,-0.2 -0.948 9.4 172.9-130.3 150.6 39.2 6.8 17.6 6 13 A V E -A 263 0A 31 257,-2.1 257,-2.3 -2,-0.3 2,-0.3 -0.969 33.4-112.1-155.9 140.6 38.3 8.3 14.2 7 14 A D E -A 262 0A 79 -2,-0.3 2,-0.6 255,-0.2 253,-0.0 -0.554 22.7-152.7 -75.9 134.9 39.1 7.5 10.6 8 15 A I E -A 261 0A 0 253,-1.8 253,-3.1 -2,-0.3 2,-0.5 -0.952 17.2-158.1-107.3 120.6 41.2 10.0 8.7 9 16 A V E -A 260 0A 70 -2,-0.6 2,-0.5 149,-0.4 152,-0.5 -0.906 15.6-177.2-112.5 123.9 40.4 9.8 5.0 10 17 A F E +A 259 0A 2 249,-2.5 249,-1.4 -2,-0.5 2,-0.3 -0.964 22.2 150.0-114.0 129.7 42.6 11.0 2.2 11 18 A S B -e 162 0B 31 150,-1.9 152,-2.0 -2,-0.5 3,-0.1 -0.934 50.9 -84.3-149.5 173.3 41.3 10.7 -1.4 12 19 A S S S- 0 0 76 -2,-0.3 152,-0.1 150,-0.2 149,-0.0 -0.323 81.4 -58.9 -71.7 167.0 41.4 12.3 -4.8 13 20 A P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.228 62.7-156.3 -52.2 133.2 39.0 15.3 -5.1 14 21 A Q - 0 0 111 -3,-0.1 -3,-0.0 2,-0.1 3,-0.0 -0.757 23.7-121.3-109.3 158.1 35.4 14.2 -4.3 15 22 A D S S+ 0 0 88 -2,-0.3 32,-0.6 29,-0.1 31,-0.5 0.785 95.8 31.3 -68.6 -28.2 32.3 15.9 -5.5 16 23 A L - 0 0 20 28,-0.1 2,-0.4 30,-0.1 28,-0.2 -0.935 61.9-155.8-130.1 155.4 31.1 16.4 -1.9 17 24 A T E -F 43 0C 42 26,-2.4 26,-2.6 -2,-0.3 2,-0.5 -1.000 16.4-163.8-127.9 125.8 32.7 17.0 1.4 18 25 A V E -F 42 0C 3 -2,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.966 8.8-179.6-118.8 127.5 30.6 16.0 4.5 19 26 A S E -F 41 0C 26 22,-2.6 22,-3.5 -2,-0.5 2,-0.5 -0.992 6.9-169.2-124.5 132.7 31.4 17.1 8.0 20 27 A L E -F 40 0C 8 -2,-0.4 20,-0.2 20,-0.2 120,-0.1 -0.966 9.2-171.4-123.9 110.6 29.3 16.1 11.0 21 28 A I E -F 39 0C 57 18,-2.7 18,-2.2 -2,-0.5 2,-0.1 -0.904 11.9-145.1-110.6 115.5 30.1 18.0 14.1 22 29 A P E -F 38 0C 20 0, 0.0 2,-0.4 0, 0.0 16,-0.3 -0.406 24.5-110.5 -75.9 152.9 28.6 17.0 17.5 23 30 A V > - 0 0 56 14,-2.5 3,-0.5 -2,-0.1 121,-0.4 -0.690 32.6-139.3 -83.6 133.1 27.7 19.6 20.1 24 31 A S T 3 S+ 0 0 60 -2,-0.4 121,-0.0 1,-0.2 119,-0.0 -0.609 76.9 31.5 -90.8 153.6 30.0 19.6 23.1 25 32 A G T 3 + 0 0 27 1,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.633 69.8 167.0 80.3 12.3 28.7 20.0 26.7 26 33 A L < - 0 0 14 -3,-0.5 120,-2.3 118,-0.5 2,-0.4 -0.467 28.7-138.0 -62.8 132.3 25.3 18.4 26.2 27 34 A K B -k 146 0D 112 118,-0.2 94,-0.2 -2,-0.2 120,-0.2 -0.781 7.6-124.3-100.1 130.9 23.9 17.8 29.7 28 35 A A S S+ 0 0 32 118,-2.2 2,-0.2 -2,-0.4 94,-0.2 -0.288 76.6 46.2 -65.1 155.3 22.0 14.6 30.7 29 36 A G E S+L 121 0E 22 92,-3.1 92,-2.7 118,-0.1 90,-0.1 -0.695 106.1 1.2 109.0-165.0 18.5 15.2 32.1 30 37 A K E -L 120 0E 146 90,-0.3 2,-0.3 -2,-0.2 90,-0.2 -0.363 69.9-170.7 -60.5 134.0 15.7 17.4 30.8 31 38 A N - 0 0 23 88,-2.1 88,-0.2 -2,-0.1 3,-0.1 -0.857 26.9 -93.2-124.8 161.9 16.6 19.1 27.6 32 39 A A > - 0 0 61 -2,-0.3 3,-1.8 86,-0.2 87,-0.2 -0.414 49.0 -93.8 -75.0 150.4 15.0 21.9 25.6 33 40 A P T 3 S+ 0 0 82 0, 0.0 82,-0.1 0, 0.0 85,-0.1 -0.396 113.2 9.0 -60.1 138.7 12.7 21.0 22.7 34 41 A S T 3 S+ 0 0 57 80,-1.6 81,-0.1 82,-0.5 -2,-0.1 0.727 87.9 177.2 58.1 26.9 14.7 21.0 19.4 35 42 A A < - 0 0 19 -3,-1.8 79,-2.1 79,-0.3 -1,-0.2 -0.360 33.9-112.5 -58.6 133.5 17.9 21.3 21.4 36 43 A K E + G 0 113C 115 77,-0.2 77,-0.3 1,-0.1 -1,-0.1 -0.495 43.1 165.3 -73.1 137.8 20.8 21.2 18.9 37 44 A I E - 0 0 0 75,-2.8 -14,-2.5 1,-0.4 2,-0.3 0.520 62.9 -0.6-126.2 -16.0 23.1 18.1 19.1 38 45 A A E -FG 22 112C 2 74,-1.6 74,-3.1 -16,-0.3 -1,-0.4 -0.962 56.2-134.5-167.9 159.1 25.1 18.2 15.9 39 46 A K E -FG 21 111C 82 -18,-2.2 -18,-2.7 -2,-0.3 2,-0.6 -0.984 12.2-153.9-124.8 133.6 25.6 20.1 12.7 40 47 A L E -FG 20 110C 0 70,-3.2 70,-3.0 -2,-0.4 2,-0.6 -0.937 13.4-171.5-106.2 118.4 25.8 18.5 9.3 41 48 A V E -FG 19 109C 23 -22,-3.5 -22,-2.6 -2,-0.6 2,-0.6 -0.952 4.3-172.8-115.1 120.1 27.8 20.5 6.8 42 49 A V E -FG 18 108C 1 66,-1.7 65,-2.4 -2,-0.6 66,-1.3 -0.950 10.9-178.7-112.3 120.2 27.8 19.5 3.2 43 50 A N E +F 17 0C 62 -26,-2.6 -26,-2.4 -2,-0.6 2,-0.3 -0.854 8.3 166.9-117.8 153.6 30.2 21.4 1.0 44 51 A S - 0 0 8 -2,-0.3 -28,-0.1 -28,-0.2 -29,-0.1 -0.949 27.4-166.7-159.7 142.6 30.9 21.2 -2.7 45 52 A T S S+ 0 0 149 -2,-0.3 -29,-0.1 -30,-0.2 -30,-0.1 0.467 98.6 32.3-104.9 -4.4 32.8 23.4 -5.3 46 53 A T S S+ 0 0 85 -31,-0.5 2,-0.4 1,-0.1 -30,-0.1 0.657 105.5 65.5-123.5 -26.5 31.2 21.4 -8.1 47 54 A L - 0 0 53 -32,-0.6 59,-0.1 1,-0.1 -1,-0.1 -0.856 52.4-159.2-110.2 144.3 27.8 20.1 -7.3 48 55 A K S S+ 0 0 170 -2,-0.4 58,-2.4 1,-0.1 2,-0.3 0.833 70.4 21.7 -85.6 -36.0 24.6 22.0 -6.7 49 56 A E E -M 105 0F 85 56,-0.3 2,-0.3 54,-0.0 56,-0.2 -0.908 51.6-179.1-138.5 162.4 22.5 19.6 -4.7 50 57 A F E -M 104 0F 5 54,-2.2 54,-2.7 -2,-0.3 2,-0.3 -0.949 20.4-132.8-150.0 164.8 22.5 16.5 -2.5 51 58 A G E -MN 103 133F 9 82,-2.6 82,-2.9 -2,-0.3 2,-0.3 -0.870 24.4-167.7-117.7 157.0 20.0 14.2 -0.7 52 59 A V E +MN 102 132F 0 50,-1.1 50,-0.5 -2,-0.3 2,-0.3 -0.992 13.0 171.3-151.4 138.3 20.4 13.1 2.9 53 60 A R E - N 0 131F 32 78,-1.9 78,-2.9 -2,-0.3 2,-0.3 -0.980 34.5-118.1-139.9 154.7 18.9 10.6 5.3 54 61 A G E - N 0 130F 1 10,-2.8 2,-0.5 -2,-0.3 76,-0.2 -0.730 30.5-135.2 -86.8 143.1 19.8 9.4 8.8 55 62 A I + 0 0 78 74,-2.3 74,-0.5 -2,-0.3 2,-0.3 -0.914 45.4 138.5-103.7 123.5 20.6 5.6 8.7 56 63 A S > - 0 0 34 -2,-0.5 3,-0.6 72,-0.1 13,-0.1 -0.992 63.2-124.1-162.7 154.1 19.0 3.8 11.6 57 64 A N T 3 S+ 0 0 159 -2,-0.3 12,-0.1 1,-0.2 -1,-0.0 0.522 112.8 46.3 -80.0 -6.2 17.1 0.7 12.7 58 65 A N T 3 + 0 0 59 10,-0.3 10,-1.9 -3,-0.0 2,-0.3 -0.434 69.8 166.2-134.2 65.3 14.3 3.0 13.9 59 66 A V B < -H 67 0C 47 -3,-0.6 8,-0.3 8,-0.2 -4,-0.0 -0.606 14.7-168.7 -74.1 137.4 13.6 5.7 11.3 60 67 A V + 0 0 80 6,-2.5 2,-0.3 -2,-0.3 7,-0.2 0.363 57.9 46.6-116.6 5.4 10.3 7.4 12.2 61 68 A D S > S- 0 0 56 5,-0.8 3,-0.9 1,-0.1 5,-0.2 -0.910 84.8-106.6-138.1 168.9 9.3 9.4 9.2 62 69 A S T 3 S+ 0 0 82 -2,-0.3 38,-0.6 1,-0.2 -1,-0.1 0.813 113.6 49.1 -65.9 -27.8 9.1 8.8 5.4 63 70 A T T 3 S- 0 0 22 36,-0.1 39,-0.5 38,-0.1 -1,-0.2 0.410 106.2-116.1 -96.1 3.9 12.1 10.9 4.5 64 71 A G S < S+ 0 0 0 -3,-0.9 -10,-2.8 2,-0.2 -2,-0.1 0.837 82.2 122.5 65.6 29.3 14.7 9.5 7.0 65 72 A T S S+ 0 0 4 1,-0.2 17,-2.1 -12,-0.2 2,-0.3 0.327 70.3 38.9-104.1 3.3 14.8 13.0 8.6 66 73 A A E + I 0 81C 15 15,-0.2 -6,-2.5 -5,-0.2 -5,-0.8 -0.968 68.4 144.4-150.6 137.4 13.7 11.8 12.0 67 74 A W E -HI 59 80C 2 13,-2.6 13,-2.6 -2,-0.3 2,-0.4 -0.936 39.6-108.8-159.3 177.2 14.7 8.6 13.9 68 75 A R E - I 0 79C 86 -10,-1.9 2,-0.4 -2,-0.3 -10,-0.3 -0.959 22.2-160.1-122.6 144.6 15.5 7.2 17.3 69 76 A V E - I 0 78C 11 9,-2.4 9,-1.8 -2,-0.4 2,-0.3 -0.975 10.8-140.3-125.5 132.2 18.9 6.2 18.7 70 77 A A E - I 0 77C 47 -2,-0.4 7,-0.3 7,-0.2 6,-0.2 -0.694 30.9-106.0 -90.3 140.8 19.5 3.9 21.7 71 78 A G > - 0 0 5 5,-3.3 4,-1.9 -2,-0.3 55,-0.2 -0.386 20.4-134.5 -64.5 137.8 22.4 4.7 24.1 72 79 A K T 4 S+ 0 0 164 53,-2.8 -1,-0.1 1,-0.2 54,-0.1 0.886 102.1 33.8 -61.3 -39.2 25.4 2.5 23.7 73 80 A N T 4 S+ 0 0 122 52,-0.2 -1,-0.2 1,-0.1 51,-0.1 0.801 133.7 20.7 -90.4 -30.0 25.7 2.0 27.5 74 81 A T T 4 S- 0 0 72 2,-0.2 -2,-0.2 51,-0.1 3,-0.1 0.584 86.1-128.0-116.6 -15.6 22.2 2.0 28.7 75 82 A G < + 0 0 44 -4,-1.9 -3,-0.1 1,-0.3 2,-0.1 0.406 59.1 143.8 80.9 -4.9 19.9 1.2 25.8 76 83 A K - 0 0 124 -6,-0.2 -5,-3.3 1,-0.1 -1,-0.3 -0.427 43.0-131.7 -68.9 144.6 17.8 4.3 26.6 77 84 A E E -I 70 0C 92 -7,-0.3 2,-0.3 -3,-0.1 -7,-0.2 -0.674 20.9-171.1-102.5 153.5 16.5 6.1 23.5 78 85 A I E -I 69 0C 0 -9,-1.8 -9,-2.4 -2,-0.3 2,-0.5 -0.936 24.3-127.0-130.5 154.5 16.4 9.7 22.2 79 86 A G E +I 68 0C 0 -2,-0.3 36,-1.3 -11,-0.2 2,-0.3 -0.929 35.8 173.1-105.2 128.1 14.6 11.0 19.2 80 87 A V E +IJ 67 114C 0 -13,-2.6 -13,-2.6 -2,-0.5 2,-0.3 -0.829 9.2 129.2-128.4 166.6 16.8 13.0 16.8 81 88 A G E -IJ 66 113C 0 32,-1.4 32,-2.9 -2,-0.3 -15,-0.2 -0.966 58.5 -48.5 166.1 177.4 16.3 14.5 13.4 82 89 A L E - 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