==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OUTER MEMBRANE PROTEIN 07-DEC-97 1A0S . COMPND 2 MOLECULE: SUCROSE-SPECIFIC PORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR K.DIEDERICHS,W.WELTE . 1239 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 910 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 630 50.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 27 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 3 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 . 94 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 6 0 0 6 0 12 15 3 3 6 3 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 P S 0 0 104 0, 0.0 57,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-130.6 -45.8 0.7 8.8 2 72 P G + 0 0 29 1,-0.2 54,-3.0 55,-0.1 2,-0.3 -0.097 360.0 5.3-142.3-116.6 -43.7 1.8 5.8 3 73 P F E -A 55 0A 51 52,-0.2 2,-0.4 -2,-0.1 -1,-0.2 -0.602 48.5-175.1 -90.0 144.8 -41.9 0.3 2.9 4 74 P E E -A 54 0A 57 50,-1.9 50,-2.9 -2,-0.3 2,-0.5 -0.998 11.9-156.0-140.4 142.2 -41.9 -3.3 1.7 5 75 P F E +A 53 0A 12 -2,-0.4 2,-0.2 48,-0.2 48,-0.2 -0.953 23.9 161.8-121.9 110.0 -40.1 -5.1 -1.0 6 76 P H E +A 52 0A 49 46,-2.5 46,-3.0 -2,-0.5 2,-0.3 -0.754 9.0 133.0-120.6 167.1 -41.6 -8.3 -2.5 7 77 P G E -A 51 0A 4 -2,-0.2 406,-1.6 44,-0.2 2,-0.3 -0.999 39.1-113.1 175.4-174.8 -41.0 -10.2 -5.7 8 78 P Y E +AB 50 412A 25 42,-1.6 42,-2.3 -2,-0.3 2,-0.3 -0.982 26.9 174.3-145.2 150.3 -40.4 -13.2 -7.8 9 79 P A E +AB 49 411A 0 402,-2.4 402,-2.2 -2,-0.3 2,-0.3 -0.934 12.6 177.3-165.3 136.7 -37.4 -14.3 -9.8 10 80 P R E +AB 48 410A 16 38,-1.8 38,-1.3 -2,-0.3 2,-0.3 -0.959 16.2 159.9-134.5 144.4 -36.2 -17.3 -11.8 11 81 P S E + B 0 409A 0 398,-1.8 398,-2.7 -2,-0.3 2,-0.3 -0.860 14.9 109.8-168.0 136.6 -32.9 -17.4 -13.7 12 82 P G E - B 0 408A 0 -2,-0.3 2,-0.3 396,-0.3 396,-0.3 -0.983 49.8 -82.2 177.3-171.3 -30.7 -20.1 -15.0 13 83 P V E - B 0 407A 0 394,-2.7 394,-0.6 -2,-0.3 2,-0.4 -0.877 20.5-172.6-125.8 144.8 -29.3 -22.0 -17.9 14 84 P I E + B 0 406A 4 -2,-0.3 8,-0.3 392,-0.2 2,-0.3 -0.991 15.2 167.5-136.0 124.6 -30.4 -24.9 -20.2 15 85 P M E - B 0 405A 47 390,-2.5 390,-2.4 -2,-0.4 6,-0.2 -0.880 28.3-122.1-131.4 163.1 -28.1 -26.6 -22.7 16 86 P N E > - B 0 404A 23 4,-2.0 3,-2.2 -2,-0.3 388,-0.2 -0.408 47.1 -82.5 -95.7-178.7 -28.3 -29.8 -24.8 17 87 P D T 3 S+ 0 0 106 386,-0.6 387,-0.1 1,-0.3 -1,-0.0 0.477 129.3 55.8 -66.4 -0.1 -25.9 -32.7 -24.8 18 88 P S T 3 S- 0 0 49 2,-0.2 -1,-0.3 3,-0.1 592,-0.1 0.362 117.6-108.3-110.5 2.0 -23.6 -30.8 -27.2 19 89 P G S < S+ 0 0 7 -3,-2.2 591,-0.4 1,-0.3 2,-0.3 0.847 83.2 112.0 74.8 33.8 -23.3 -27.7 -25.0 20 90 P A S S- 0 0 21 -4,-0.1 -4,-2.0 1,-0.1 -1,-0.3 -0.839 72.4 -71.6-131.8 170.7 -25.4 -25.6 -27.2 21 91 P S + 0 0 56 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.1 -0.161 47.1 173.9 -64.8 155.7 -28.9 -23.9 -27.1 22 92 P T - 0 0 29 -8,-0.3 2,-0.3 -6,-0.1 375,-0.1 -0.814 36.0 -82.8-145.7-177.8 -32.2 -25.8 -27.3 23 93 P K + 0 0 71 -2,-0.2 2,-0.3 368,-0.1 5,-0.0 -0.733 49.8 159.4 -96.4 144.7 -35.9 -25.1 -27.0 24 94 P S + 0 0 34 -2,-0.3 2,-0.1 19,-0.0 20,-0.1 -0.953 7.3 119.0-156.0 165.7 -37.5 -24.9 -23.6 25 95 P G > - 0 0 16 18,-0.7 3,-1.0 -2,-0.3 19,-0.1 -0.434 62.0-110.2 141.6 145.5 -40.7 -23.5 -22.0 26 96 P A T 3 S+ 0 0 3 1,-0.2 12,-2.3 -2,-0.1 3,-0.2 0.764 121.2 43.3 -70.2 -22.1 -43.8 -24.4 -20.2 27 97 P Y T 3 S+ 0 0 77 10,-0.2 -1,-0.2 1,-0.1 9,-0.1 -0.086 77.8 112.7-114.5 34.1 -45.7 -23.5 -23.4 28 98 P I < + 0 0 22 -3,-1.0 364,-0.5 4,-0.1 363,-0.5 0.653 52.9 86.3 -83.1 -18.6 -43.5 -25.0 -26.1 29 99 P T S > S- 0 0 2 7,-0.3 3,-1.7 -3,-0.2 4,-0.3 -0.379 94.0-106.2 -77.1 161.4 -45.9 -27.7 -27.5 30 100 P P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.859 122.4 62.9 -53.9 -32.8 -48.4 -26.8 -30.2 31 101 P A G > >S+ 0 0 0 1,-0.3 5,-2.5 2,-0.1 3,-1.5 0.773 86.2 76.6 -63.9 -23.9 -51.0 -27.0 -27.4 32 102 P G G X 5S+ 0 0 9 -3,-1.7 3,-1.4 4,-0.3 -1,-0.3 0.685 78.1 69.2 -61.9 -22.7 -49.3 -24.1 -25.7 33 103 P E G < 5S+ 0 0 86 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.1 0.743 106.6 40.3 -68.9 -25.7 -50.7 -21.5 -28.0 34 104 P T G < 5S- 0 0 4 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.068 138.8 -79.5-108.0 20.4 -54.1 -22.1 -26.5 35 105 P G T < 5S+ 0 0 7 -3,-1.4 2,-2.5 1,-0.1 -3,-0.3 0.439 77.7 149.5 99.6 4.4 -52.8 -22.4 -22.9 36 106 P G < + 0 0 0 -5,-2.5 -7,-0.3 -6,-0.1 -4,-0.3 -0.334 25.6 179.8 -74.2 68.7 -51.5 -26.0 -23.0 37 107 P A - 0 0 0 -2,-2.5 2,-0.2 -6,-0.2 -10,-0.2 -0.189 8.4-166.2 -68.5 152.9 -48.7 -25.6 -20.4 38 108 P I - 0 0 0 -12,-2.3 270,-0.1 90,-0.2 288,-0.1 -0.781 43.6 -45.7-128.9 178.4 -46.4 -28.5 -19.3 39 109 P G - 0 0 0 -2,-0.2 89,-0.2 268,-0.1 -14,-0.2 -0.072 41.5-159.7 -47.9 139.5 -43.9 -29.0 -16.5 40 110 P R > + 0 0 7 87,-2.2 3,-2.1 86,-0.1 2,-0.2 0.590 51.6 116.9 -98.9 -10.4 -41.6 -26.1 -15.9 41 111 P L T 3 S- 0 0 2 86,-0.4 283,-0.1 1,-0.3 -2,-0.0 -0.421 97.2 -6.2 -65.6 126.7 -38.8 -27.9 -14.0 42 112 P G T 3 S+ 0 0 1 -2,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.764 120.1 96.3 59.7 26.9 -35.6 -27.8 -15.9 43 113 P N < + 0 0 1 -3,-2.1 -18,-0.7 1,-0.1 2,-0.3 -0.058 58.5 77.7-137.8 29.1 -37.7 -26.2 -18.7 44 114 P Q + 0 0 9 -19,-0.1 -2,-0.1 -20,-0.1 -1,-0.1 -0.904 38.7 169.1-144.2 110.4 -37.2 -22.4 -18.3 45 115 P A + 0 0 17 -2,-0.3 -33,-0.2 -34,-0.1 -31,-0.2 0.325 48.2 101.9-103.5 6.1 -34.1 -20.7 -19.5 46 116 P D S S- 0 0 38 -35,-0.1 2,-0.7 -33,-0.1 30,-0.2 -0.429 70.2-128.1 -88.4 163.9 -35.2 -17.1 -19.2 47 117 P T E + C 0 75A 3 28,-2.9 28,-1.8 -36,-0.2 2,-0.4 -0.922 37.2 177.1-111.3 97.9 -34.3 -14.6 -16.5 48 118 P Y E -AC 10 74A 24 -38,-1.3 -38,-1.8 -2,-0.7 2,-0.4 -0.904 3.4-177.6-108.0 135.6 -37.7 -13.3 -15.4 49 119 P V E -AC 9 73A 1 24,-2.7 24,-1.9 -2,-0.4 2,-0.4 -0.997 16.6-169.8-139.1 139.2 -38.1 -10.8 -12.6 50 120 P E E -AC 8 72A 36 -42,-2.3 -42,-1.6 -2,-0.4 2,-0.6 -0.998 10.3-166.0-126.9 120.7 -41.0 -9.0 -10.7 51 121 P M E -AC 7 71A 10 20,-2.5 20,-1.3 -2,-0.4 2,-0.6 -0.938 2.3-169.5-113.7 109.9 -40.1 -6.2 -8.4 52 122 P N E -AC 6 70A 12 -46,-3.0 -46,-2.5 -2,-0.6 2,-0.5 -0.886 2.5-174.2-104.6 112.2 -42.9 -5.1 -6.0 53 123 P L E -AC 5 69A 11 16,-1.7 16,-1.7 -2,-0.6 2,-0.3 -0.927 13.9-173.6-105.1 125.0 -42.2 -1.9 -4.1 54 124 P E E -AC 4 68A 4 -50,-2.9 -50,-1.9 -2,-0.5 2,-0.4 -0.897 26.9-162.1-126.9 157.9 -44.9 -1.0 -1.5 55 125 P H E -AC 3 67A 43 12,-2.4 12,-1.8 -2,-0.3 2,-0.2 -0.917 23.1-178.9-135.7 97.1 -45.8 1.8 0.8 56 126 P K E - C 0 66A 55 -54,-3.0 2,-0.3 -2,-0.4 10,-0.2 -0.662 5.1-175.4 -95.7 159.7 -48.2 0.6 3.5 57 127 P Q E - C 0 65A 74 8,-2.2 8,-2.9 -2,-0.2 2,-0.5 -0.958 10.8-162.5-158.8 127.4 -49.7 2.6 6.3 58 128 P T E - C 0 64A 89 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.981 16.2-149.6-116.2 118.2 -51.9 1.7 9.2 59 129 P L > - 0 0 40 4,-3.5 3,-2.1 -2,-0.5 -2,-0.0 -0.557 27.6-108.7 -84.2 156.4 -53.8 4.5 10.9 60 130 P D T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.818 115.9 61.8 -51.7 -34.8 -54.7 4.5 14.6 61 131 P N T 3 S- 0 0 63 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.330 123.6-100.2 -78.8 10.6 -58.4 3.9 13.8 62 132 P G S < S+ 0 0 27 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.239 80.2 137.2 91.5 -13.2 -57.6 0.6 12.2 63 133 P A - 0 0 1 -5,-0.1 -4,-3.5 1123,-0.0 2,-0.3 -0.478 38.6-154.3 -71.7 130.8 -57.8 2.0 8.6 64 134 P T E -CD 58 98A 52 34,-1.8 34,-1.8 -6,-0.2 2,-0.3 -0.800 9.7-162.3-109.7 154.1 -55.1 0.8 6.3 65 135 P T E -CD 57 97A 7 -8,-2.9 -8,-2.2 -2,-0.3 2,-0.3 -0.943 12.8-177.6-130.0 140.6 -53.6 2.5 3.2 66 136 P R E -CD 56 96A 45 30,-1.4 30,-2.6 -2,-0.3 2,-0.4 -0.898 12.0-179.9-152.2 125.2 -51.6 0.6 0.6 67 137 P F E +CD 55 95A 7 -12,-1.8 -12,-2.4 -2,-0.3 2,-0.3 -0.973 11.5 177.3-122.7 136.6 -49.8 1.4 -2.5 68 138 P K E -CD 54 94A 32 26,-1.8 26,-1.9 -2,-0.4 2,-0.4 -0.997 11.8-169.0-141.6 141.0 -47.9 -1.1 -4.7 69 139 P V E -CD 53 93A 0 -16,-1.7 -16,-1.7 -2,-0.3 2,-0.4 -0.988 8.2-157.8-125.6 138.8 -46.0 -1.0 -8.0 70 140 P M E -CD 52 92A 5 22,-2.2 22,-1.1 -2,-0.4 21,-1.0 -0.963 7.8-175.3-118.0 134.0 -44.9 -4.0 -10.0 71 141 P V E -CD 51 90A 17 -20,-1.3 -20,-2.5 -2,-0.4 2,-0.3 -0.997 15.7-178.4-126.9 119.5 -42.0 -3.6 -12.5 72 142 P A E +CD 50 89A 0 17,-2.6 17,-2.0 -2,-0.4 2,-0.3 -0.854 14.8 174.3-124.7 161.9 -41.2 -6.7 -14.5 73 143 P D E -C 49 0A 2 -24,-1.9 -24,-2.7 -2,-0.3 2,-0.3 -0.978 10.0-165.3-158.3 150.0 -38.8 -8.0 -17.2 74 144 P G E +C 48 0A 17 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.2 -0.961 12.4 179.4-143.8 123.2 -38.1 -11.3 -18.9 75 145 P Q E -C 47 0A 8 -28,-1.8 -28,-2.9 -2,-0.3 11,-0.1 -0.965 24.1-165.7-125.6 142.7 -34.9 -11.9 -21.0 76 146 P T + 0 0 86 -2,-0.3 -1,-0.1 -30,-0.2 2,-0.1 0.637 68.1 98.0 -97.2 -16.3 -33.8 -15.1 -22.8 77 147 P S - 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