==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 14-JUN-09 3HUH . COMPND 2 MOLECULE: VIRULENCE PROTEIN STM3117; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALM . 486 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 28.4 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 . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 . 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 . 40 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 8 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 0 0 6 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 14 5 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 3 1 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 20 A I 0 0 134 0, 0.0 195,-1.5 0, 0.0 196,-0.6 0.000 360.0 360.0 360.0 119.2 23.0 46.5 48.0 2 21 A I E -A 195 0A 15 149,-0.4 166,-0.4 193,-0.2 193,-0.2 -0.833 360.0-177.7 -97.0 128.9 22.6 44.6 44.8 3 22 A D E - 0 0 75 191,-3.2 166,-0.5 -2,-0.5 2,-0.3 0.855 54.4 -36.3 -93.4 -42.4 25.9 43.2 43.3 4 23 A R E -A 194 0A 77 190,-0.9 190,-2.7 164,-0.1 2,-0.4 -0.975 62.9 -78.9-169.4 175.6 24.9 41.5 40.0 5 24 A I E -A 193 0A 0 -2,-0.3 188,-0.3 188,-0.2 125,-0.2 -0.786 34.7-174.6 -89.9 133.8 22.4 39.4 38.1 6 25 A D E - 0 0 0 186,-3.0 40,-1.2 -2,-0.4 2,-0.3 0.827 60.1 -35.7 -95.0 -44.9 22.7 35.8 39.0 7 26 A H E -Ab 192 46A 2 185,-1.0 185,-2.4 38,-0.2 -1,-0.4 -0.961 49.8-151.3-165.6 175.6 20.2 34.3 36.6 8 27 A L E -Ab 191 47A 4 38,-0.9 40,-2.5 -2,-0.3 2,-0.5 -0.961 21.9-114.6-154.4 163.8 16.9 34.8 34.8 9 28 A V E - b 0 48A 16 181,-2.4 2,-0.5 -2,-0.3 181,-0.3 -0.920 18.1-163.2-113.3 128.3 14.2 32.7 33.3 10 29 A L E - b 0 49A 8 38,-2.5 40,-2.4 -2,-0.5 2,-0.6 -0.914 12.1-146.9-105.9 131.8 13.3 32.4 29.7 11 30 A T E + b 0 50A 16 -2,-0.5 55,-0.3 53,-0.3 2,-0.3 -0.897 28.8 179.7 -99.4 121.9 9.9 30.9 28.8 12 31 A V E - b 0 51A 0 38,-3.1 40,-2.5 -2,-0.6 3,-0.3 -0.848 40.2-131.2-126.3 159.0 10.2 29.0 25.5 13 32 A S S S+ 0 0 68 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.891 101.3 16.3 -73.0 -38.9 8.0 26.9 23.2 14 33 A D > - 0 0 61 1,-0.1 4,-2.1 37,-0.1 -1,-0.3 -0.885 59.8-163.8-142.0 107.9 10.5 24.0 23.0 15 34 A I H > S+ 0 0 21 -2,-0.4 4,-3.0 -3,-0.3 5,-0.2 0.883 92.3 56.8 -55.9 -42.1 13.3 23.6 25.5 16 35 A S H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 109.7 45.0 -56.8 -45.8 15.2 21.1 23.2 17 36 A T H > S+ 0 0 70 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 113.6 49.9 -65.1 -40.9 15.3 23.6 20.4 18 37 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.924 109.8 51.0 -64.2 -45.4 16.4 26.4 22.7 19 38 A I H X S+ 0 0 29 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.930 107.5 52.7 -59.7 -46.8 19.1 24.3 24.2 20 39 A R H X S+ 0 0 157 -4,-2.2 4,-2.4 -5,-0.2 5,-0.4 0.905 110.8 48.3 -57.0 -41.8 20.5 23.4 20.8 21 40 A F H X>S+ 0 0 24 -4,-1.8 4,-2.8 1,-0.2 5,-0.8 0.965 114.1 43.3 -64.2 -53.4 20.7 27.1 19.8 22 41 A Y H <5S+ 0 0 0 -4,-2.4 6,-2.5 3,-0.2 5,-0.4 0.847 118.7 44.5 -65.3 -32.9 22.4 28.3 23.0 23 42 A E H X5S+ 0 0 80 -4,-2.6 4,-0.6 4,-0.3 -2,-0.2 0.969 120.8 37.1 -74.3 -51.9 24.9 25.4 23.1 24 43 A E H <5S+ 0 0 153 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.873 130.7 27.0 -69.6 -39.2 25.8 25.4 19.4 25 44 A V T <5S+ 0 0 23 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.1 0.944 133.0 27.5 -89.5 -58.4 25.8 29.2 18.8 26 45 A L T 4> +C 37 0A 32 4,-2.1 4,-2.6 -2,-0.5 3,-0.5 -0.797 60.5 30.9-122.0 166.1 18.8 20.8 38.3 34 53 A K T 34 S- 0 0 111 -2,-0.3 2,-1.9 1,-0.3 -1,-0.2 0.898 125.9 -74.4 51.4 41.4 16.0 20.1 40.8 35 54 A Q T 34 S+ 0 0 177 -3,-0.2 -1,-0.3 1,-0.2 -3,-0.0 -0.146 126.8 21.2 70.1 -42.0 15.8 16.6 39.2 36 55 A N T <4 S+ 0 0 85 -2,-1.9 2,-0.3 -3,-0.5 -1,-0.2 0.295 92.0 107.9-142.0 13.4 14.1 17.6 35.9 37 56 A R E < -C 33 0A 73 -4,-2.6 -4,-2.1 13,-0.0 2,-0.3 -0.719 55.4-135.2 -98.8 148.6 14.6 21.4 35.2 38 57 A K E +CD 32 49A 64 11,-0.5 11,-2.8 -2,-0.3 2,-0.3 -0.800 24.4 169.3-106.5 144.1 16.9 22.8 32.5 39 58 A A E -CD 31 48A 0 -8,-2.0 -8,-2.3 -2,-0.3 2,-0.5 -0.955 28.2-133.1-144.2 159.7 19.4 25.6 32.7 40 59 A L E -CD 30 47A 0 7,-2.2 7,-2.1 -2,-0.3 2,-0.3 -0.980 23.8-150.7-119.9 116.3 22.1 27.0 30.5 41 60 A I E +CD 29 46A 51 -12,-3.2 -12,-2.1 -2,-0.5 2,-0.3 -0.702 25.4 156.8 -90.0 137.3 25.4 27.7 32.3 42 61 A F E > - D 0 45A 10 3,-1.9 3,-2.8 -2,-0.3 86,-0.1 -0.948 61.7 -28.6-157.4 139.4 27.8 30.5 31.1 43 62 A G T 3 S- 0 0 52 84,-0.4 86,-0.1 -2,-0.3 85,-0.1 -0.279 120.5 -38.6 51.7-131.8 30.4 32.4 33.0 44 63 A A T 3 S+ 0 0 60 84,-0.5 -1,-0.3 -3,-0.1 2,-0.2 -0.083 128.2 69.7-113.2 30.7 29.3 32.5 36.6 45 64 A Q E < - D 0 42A 10 -3,-2.8 -3,-1.9 178,-0.1 2,-0.3 -0.703 62.4-156.0-133.3-177.5 25.6 33.0 35.7 46 65 A K E -bD 7 41A 7 -40,-1.2 -38,-0.9 -2,-0.2 2,-0.5 -0.991 16.5-133.1-161.3 160.7 22.8 30.9 34.2 47 66 A I E -bD 8 40A 0 -7,-2.1 -7,-2.2 -2,-0.3 2,-0.3 -0.983 23.5-149.7-119.8 116.3 19.6 31.1 32.3 48 67 A N E -bD 9 39A 14 -40,-2.5 -38,-2.5 -2,-0.5 2,-0.4 -0.649 14.8-140.3 -83.9 144.3 16.8 28.8 33.7 49 68 A L E -bD 10 38A 3 -11,-2.8 -11,-0.5 -2,-0.3 2,-0.4 -0.881 17.4-173.8-111.8 139.1 14.4 27.5 31.1 50 69 A H E -b 11 0A 11 -40,-2.4 -38,-3.1 -2,-0.4 2,-0.4 -0.997 17.0-145.6-124.2 130.4 10.6 27.1 31.4 51 70 A Q E > -bE 12 54A 53 3,-0.5 3,-2.1 -2,-0.4 -38,-0.2 -0.766 32.6 -96.8 -96.0 143.9 8.7 25.4 28.6 52 71 A Q T 3 S+ 0 0 69 -40,-2.5 -1,-0.1 -2,-0.4 12,-0.0 -0.284 111.5 26.6 -57.1 144.4 5.2 26.6 27.8 53 72 A E T 3 S+ 0 0 191 -3,-0.0 -1,-0.3 2,-0.0 -40,-0.0 0.341 123.9 54.9 81.9 -4.3 2.5 24.5 29.5 54 73 A M B < +E 51 0A 111 -3,-2.1 -3,-0.5 2,-0.1 2,-0.5 -0.131 68.6 153.3-150.0 47.6 4.9 23.5 32.3 55 74 A E - 0 0 35 -5,-0.2 2,-0.1 1,-0.1 -5,-0.1 -0.667 40.8-127.9 -82.2 124.2 6.2 26.8 33.7 56 75 A F - 0 0 55 -2,-0.5 -2,-0.1 2,-0.1 -1,-0.1 -0.400 39.1 -78.4 -73.7 150.3 7.3 26.5 37.3 57 76 A E S S+ 0 0 131 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.739 101.8 36.8-106.4 149.8 6.0 28.9 40.0 58 77 A P S S+ 0 0 16 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.630 84.4 151.6 -75.2 163.2 6.4 31.7 41.0 59 78 A K - 0 0 48 -2,-0.2 130,-0.1 1,-0.1 -2,-0.1 -0.825 48.9 -53.7-145.4-178.4 7.0 33.2 37.5 60 79 A A - 0 0 6 -2,-0.2 178,-0.2 128,-0.2 128,-0.2 -0.199 50.4-118.0 -58.4 154.4 6.7 36.4 35.5 61 80 A S S S+ 0 0 60 176,-1.4 127,-0.2 126,-0.6 -1,-0.1 0.857 111.3 24.2 -64.6 -32.1 3.2 37.9 35.5 62 81 A R S S- 0 0 135 125,-2.5 -1,-0.3 127,-0.1 2,-0.1 -0.610 81.8-160.1-134.1 73.7 3.0 37.5 31.7 63 82 A P + 0 0 30 0, 0.0 125,-0.1 0, 0.0 126,-0.1 -0.360 22.2 175.9 -55.5 122.7 5.4 34.6 30.7 64 83 A T > - 0 0 16 124,-0.4 3,-1.5 -2,-0.1 -53,-0.3 -0.948 31.0-132.3-142.5 118.7 6.0 35.3 27.0 65 84 A P T 3 S+ 0 0 4 0, 0.0 -53,-0.1 0, 0.0 -55,-0.0 -0.433 97.3 22.0 -65.4 139.2 8.3 33.5 24.5 66 85 A G T 3 S+ 0 0 0 -55,-0.3 117,-2.5 116,-0.1 116,-0.4 0.588 89.9 110.9 81.4 11.5 10.3 36.1 22.5 67 86 A S < + 0 0 18 -3,-1.5 118,-0.4 -56,-0.2 2,-0.2 0.454 50.6 101.8 -96.1 -2.5 10.0 38.9 25.1 68 87 A A - 0 0 14 -4,-0.2 50,-2.6 116,-0.1 2,-0.4 -0.605 43.9-176.1 -88.5 146.9 13.6 38.9 26.1 69 88 A D E +i 118 0B 10 65,-0.3 65,-2.4 -2,-0.2 2,-0.3 -0.889 23.5 170.1-140.5 97.6 16.2 41.4 25.0 70 89 A L E -iJ 119 133B 7 48,-2.4 50,-3.3 -2,-0.4 2,-0.5 -0.900 26.2-151.6-122.2 146.1 19.6 40.4 26.4 71 90 A C E -iJ 120 132B 0 61,-2.6 60,-2.7 -2,-0.3 61,-0.8 -0.961 12.1-168.9-118.9 126.5 23.2 41.5 26.0 72 91 A F E -iJ 121 130B 0 48,-3.1 50,-3.1 -2,-0.5 2,-0.4 -0.921 17.1-134.3-113.9 136.5 26.1 39.1 26.5 73 92 A I E -iJ 122 129B 6 56,-3.1 55,-3.1 -2,-0.4 56,-0.9 -0.759 21.4-163.5 -91.5 134.6 29.7 40.2 26.7 74 93 A T E - J 0 127B 5 48,-3.0 50,-0.4 -2,-0.4 53,-0.2 -0.855 23.0-156.3-115.6 151.9 32.2 38.1 24.7 75 94 A S S S+ 0 0 81 51,-1.8 52,-0.1 -2,-0.3 -1,-0.1 0.380 71.5 100.2-101.8 -2.2 36.0 38.0 25.0 76 95 A T S S- 0 0 25 50,-0.6 -2,-0.1 1,-0.1 5,-0.1 -0.638 95.5 -91.6 -83.4 138.9 36.2 36.8 21.4 77 96 A P >> - 0 0 65 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.307 37.1-129.2 -51.7 128.8 37.1 39.5 18.8 78 97 A I H 3> S+ 0 0 11 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.810 106.2 54.4 -54.0 -34.9 33.8 40.8 17.7 79 98 A N H 3> S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.841 106.8 51.4 -69.8 -30.6 34.6 40.4 14.0 80 99 A D H <> S+ 0 0 92 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.883 109.3 51.6 -70.5 -35.2 35.5 36.7 14.6 81 100 A V H X S+ 0 0 9 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.917 106.3 53.6 -65.6 -43.2 32.1 36.4 16.3 82 101 A V H X S+ 0 0 24 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.944 111.2 46.2 -55.0 -48.9 30.4 38.0 13.3 83 102 A S H X S+ 0 0 50 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.899 110.0 53.8 -60.6 -42.3 32.1 35.4 11.1 84 103 A E H X S+ 0 0 102 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.908 108.6 49.9 -59.4 -43.7 31.1 32.6 13.5 85 104 A I H <>S+ 0 0 6 -4,-2.6 5,-2.2 2,-0.2 3,-0.2 0.911 111.8 46.4 -62.9 -45.8 27.4 33.6 13.3 86 105 A L H ><5S+ 0 0 102 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.899 109.8 53.9 -65.6 -39.8 27.3 33.7 9.5 87 106 A Q H 3<5S+ 0 0 158 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 104.0 56.9 -65.3 -25.2 29.1 30.4 9.2 88 107 A A T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.397 118.9-113.5 -85.4 2.8 26.4 28.9 11.5 89 108 A G T < 5 + 0 0 66 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.741 67.5 147.0 72.3 23.6 23.7 30.1 9.1 90 109 A I < - 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