==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 07-APR-08 3CRE . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR O.SALIH,H.REMAUT,G.WAKSMAN,E.V.ORLOVA . 286 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 2 4 2 4 0 2 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 . 4 0 1 1 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 22 A D 0 0 132 0, 0.0 30,-0.4 0, 0.0 31,-0.3 0.000 360.0 360.0 360.0 180.0 87.2 101.8 138.6 2 23 A L - 0 0 9 129,-0.3 2,-0.4 28,-0.1 28,-0.2 -0.616 360.0-152.3 -94.3 158.4 89.5 102.6 135.6 3 24 A T E -A 29 0A 86 26,-2.0 26,-1.8 -2,-0.2 2,-0.3 -0.952 25.2-171.1-128.5 100.1 88.4 104.1 132.2 4 25 A V E +A 28 0A 14 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.675 14.4 176.5 -99.5 149.5 91.0 102.8 129.6 5 26 A S E -A 27 0A 65 22,-2.2 22,-2.4 -2,-0.3 2,-0.4 -0.897 11.5-162.6-150.8 129.5 91.4 103.8 125.9 6 27 A L E -A 26 0A 14 -2,-0.3 20,-0.2 20,-0.2 130,-0.1 -0.942 13.6-166.4-114.3 129.6 94.2 102.5 123.5 7 28 A I E -A 25 0A 90 18,-0.7 18,-1.8 -2,-0.4 130,-0.0 -0.994 14.3-133.8-127.9 108.9 94.6 104.8 120.4 8 29 A P E -A 24 0A 58 0, 0.0 16,-0.3 0, 0.0 2,-0.2 -0.399 24.4-118.2 -56.3 144.2 96.6 103.7 117.2 9 30 A V - 0 0 55 14,-2.8 3,-0.3 1,-0.1 2,-0.1 -0.593 30.4-137.6 -80.1 146.0 99.1 106.2 115.7 10 31 A S S S+ 0 0 110 -2,-0.2 -1,-0.1 1,-0.2 129,-0.0 -0.408 74.7 38.7 -98.3 175.2 98.3 107.3 112.1 11 32 A G S S+ 0 0 69 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 0.747 73.8 163.1 61.7 21.7 100.6 107.8 109.1 12 33 A L - 0 0 41 -3,-0.3 2,-0.4 128,-0.1 -1,-0.1 -0.338 31.9-127.3 -71.5 158.9 102.8 104.8 110.0 13 34 A K - 0 0 138 2,-0.1 94,-0.2 128,-0.0 96,-0.1 -0.897 11.0-119.5-116.8 133.5 105.0 103.5 107.1 14 35 A A S S+ 0 0 53 -2,-0.4 2,-0.2 95,-0.1 94,-0.2 -0.283 81.3 4.3 -60.0 153.8 105.4 100.0 105.7 15 36 A G E S+F 107 0B 17 92,-3.6 92,-3.5 91,-0.1 2,-0.6 -0.513 119.1 30.7 77.9-138.4 108.9 98.4 105.9 16 37 A K E S-F 106 0B 155 90,-0.3 90,-0.2 -2,-0.2 2,-0.2 -0.460 73.9-172.5 -69.8 111.6 111.8 100.1 107.7 17 38 A N - 0 0 11 88,-2.8 3,-0.1 -2,-0.6 4,-0.0 -0.579 31.5 -82.6-103.7 164.0 110.4 102.3 110.5 18 39 A A > - 0 0 59 -2,-0.2 3,-2.5 1,-0.1 87,-0.3 -0.220 59.8 -84.4 -59.0 150.5 112.1 104.8 112.9 19 40 A P T 3 S- 0 0 95 0, 0.0 85,-0.2 0, 0.0 -1,-0.1 -0.284 118.0 -3.0 -48.1 135.6 113.9 103.5 116.0 20 41 A S T 3 S- 0 0 51 82,-1.1 81,-0.1 80,-0.7 -2,-0.1 0.802 92.0-167.9 47.4 31.7 111.2 103.1 118.6 21 42 A A < - 0 0 16 -3,-2.5 79,-1.5 79,-0.2 2,-0.4 -0.257 28.5-109.4 -48.8 134.9 108.6 104.6 116.1 22 43 A K E + B 0 99A 103 77,-0.2 77,-0.3 1,-0.2 -1,-0.1 -0.659 45.5 167.2 -73.4 124.0 105.4 105.3 118.1 23 44 A I E + 0 0 3 75,-1.6 -14,-2.8 -2,-0.4 2,-0.3 0.644 61.8 3.5-105.5 -30.6 102.6 102.8 117.1 24 45 A A E -AB 8 98A 0 74,-1.5 74,-3.5 -16,-0.3 2,-0.4 -0.972 53.3-141.3-155.6 162.0 100.0 103.5 119.9 25 46 A K E -AB 7 97A 86 -18,-1.8 -18,-0.7 -2,-0.3 72,-0.2 -0.900 16.1-152.9-130.0 99.2 99.1 105.6 123.0 26 47 A L E -AB 6 96A 1 70,-1.5 70,-1.8 -2,-0.4 2,-0.3 -0.476 12.8-163.9 -58.2 137.1 97.5 103.9 126.0 27 48 A V E -AB 5 95A 25 -22,-2.4 -22,-2.2 68,-0.2 2,-0.3 -0.974 9.3-178.3-126.0 133.6 95.3 106.4 128.1 28 49 A V E +AB 4 94A 0 66,-1.5 65,-1.8 -2,-0.3 66,-1.1 -0.869 6.3 172.5-137.9 100.7 94.2 105.5 131.7 29 50 A N E +A 3 0A 70 -26,-1.8 -26,-2.0 -2,-0.3 2,-0.3 -0.756 5.5 165.6 -97.8 149.7 91.9 108.1 133.6 30 51 A S - 0 0 9 -2,-0.3 -28,-0.1 -28,-0.2 -2,-0.0 -0.868 30.3-158.5-165.2 135.3 90.3 107.3 137.0 31 52 A T S S+ 0 0 138 -30,-0.4 -1,-0.1 -2,-0.3 -29,-0.1 0.903 93.1 36.2 -78.0 -49.7 88.6 109.4 139.7 32 53 A T S S+ 0 0 87 -31,-0.3 2,-0.3 1,-0.0 -30,-0.1 0.900 106.9 60.8 -76.8 -47.7 89.0 106.9 142.7 33 54 A L - 0 0 12 -32,-0.2 89,-0.1 1,-0.1 -3,-0.1 -0.707 58.5-154.7 -92.0 133.4 92.4 105.2 142.3 34 55 A K S S+ 0 0 147 -2,-0.3 58,-2.9 89,-0.1 2,-0.3 0.741 75.5 22.3 -68.6 -30.0 95.8 107.0 142.2 35 56 A E E -GH 91 121C 19 86,-1.5 86,-1.8 56,-0.3 2,-0.3 -0.825 54.6-159.0-138.0 168.4 97.7 104.2 140.1 36 57 A F E -GH 90 120C 0 54,-2.0 54,-2.0 84,-0.3 2,-0.3 -0.961 12.9-142.7-143.5 146.2 97.4 101.3 137.7 37 58 A G E -GH 89 119C 0 82,-2.9 82,-2.6 -2,-0.3 2,-0.3 -0.696 23.0-168.8 -95.6 156.3 99.7 98.3 136.7 38 59 A V E + H 0 118C 4 50,-0.9 50,-0.4 -2,-0.3 2,-0.3 -0.973 14.5 172.2-149.6 141.5 99.9 97.2 133.1 39 60 A R E - H 0 117C 41 78,-2.1 78,-1.4 -2,-0.3 12,-0.2 -0.937 29.8-120.9-131.6 155.7 101.3 94.2 131.0 40 61 A G E - H 0 116C 2 10,-2.9 2,-0.4 -2,-0.3 76,-0.2 -0.542 22.5-146.9 -91.1 160.7 101.0 93.2 127.4 41 62 A I + 0 0 61 74,-1.7 74,-0.4 -2,-0.2 2,-0.3 -0.997 35.6 124.9-137.0 119.2 99.5 89.8 126.4 42 63 A S S S- 0 0 36 -2,-0.4 3,-0.4 72,-0.1 13,-0.1 -0.957 71.2 -86.5-160.2 177.0 100.6 87.7 123.3 43 64 A N S S+ 0 0 181 -2,-0.3 2,-0.1 1,-0.2 12,-0.1 0.598 121.0 34.9 -66.5 -9.2 101.8 84.2 122.3 44 65 A N + 0 0 73 10,-0.5 10,-1.1 0, 0.0 2,-0.3 -0.601 66.2 177.8-149.8 83.5 105.5 85.4 123.0 45 66 A V B -C 53 0A 57 -3,-0.4 8,-0.3 8,-0.2 3,-0.0 -0.711 14.1-160.3 -76.2 137.4 106.1 87.8 125.9 46 67 A V + 0 0 76 6,-1.5 2,-0.3 -2,-0.3 7,-0.2 0.092 58.9 45.3-117.3 16.1 110.0 88.4 126.1 47 68 A D S > S- 0 0 64 5,-0.5 3,-1.0 1,-0.1 5,-0.0 -0.976 78.2-112.5-151.4 163.3 110.7 89.8 129.7 48 69 A S T 3 S+ 0 0 91 -2,-0.3 38,-0.3 1,-0.3 -1,-0.1 0.848 113.3 49.7 -61.4 -43.7 109.7 89.0 133.3 49 70 A T T 3 S- 0 0 21 36,-0.1 39,-0.4 38,-0.0 -1,-0.3 0.422 105.4-123.7 -77.6 -1.7 107.7 92.2 133.9 50 71 A G S < S+ 0 0 0 -3,-1.0 -10,-2.9 2,-0.2 -2,-0.1 0.682 79.2 113.8 68.3 21.2 105.5 91.8 130.7 51 72 A T S S+ 0 0 8 -12,-0.2 17,-1.8 1,-0.1 2,-0.4 0.530 70.4 53.7-100.0 -13.8 106.4 95.3 129.1 52 73 A A E S+ D 0 67A 22 15,-0.2 -6,-1.5 -12,-0.1 -5,-0.5 -0.991 71.3 144.2-113.3 126.5 108.4 93.9 126.0 53 74 A W E -CD 45 66A 4 13,-2.4 13,-2.3 -2,-0.4 2,-0.3 -0.768 39.8-117.0-143.4-179.3 106.4 91.3 123.9 54 75 A R E + D 0 65A 85 -10,-1.1 -10,-0.5 -2,-0.2 2,-0.3 -0.939 24.4 178.4-125.1 154.6 106.1 90.4 120.2 55 76 A V E - D 0 64A 14 9,-2.4 9,-3.4 -2,-0.3 2,-0.3 -0.886 17.1-129.2-142.4 173.4 103.1 90.4 117.7 56 77 A A E - D 0 63A 35 7,-0.3 7,-0.3 -2,-0.3 2,-0.2 -0.915 20.6 -96.2-138.5 158.5 102.7 89.6 114.0 57 78 A G > - 0 0 2 5,-3.5 4,-2.6 -2,-0.3 5,-0.3 -0.465 28.7-153.0 -65.8 125.8 101.3 90.7 110.6 58 79 A K T 4 S+ 0 0 116 53,-3.6 -1,-0.1 -2,-0.2 54,-0.1 0.976 91.6 42.2 -68.6 -54.6 97.8 89.2 109.9 59 80 A N T 4 S+ 0 0 120 1,-0.2 -1,-0.2 52,-0.2 51,-0.1 0.877 132.0 25.2 -56.0 -38.8 97.9 89.1 106.0 60 81 A T T 4 S- 0 0 34 51,-0.2 -2,-0.2 48,-0.1 -1,-0.2 0.564 95.2-131.1-109.1 -11.3 101.5 87.8 105.9 61 82 A G < + 0 0 59 -4,-2.6 2,-0.3 1,-0.2 -3,-0.1 0.894 57.0 133.5 68.8 41.5 102.0 86.0 109.3 62 83 A K - 0 0 118 -5,-0.3 -5,-3.5 46,-0.1 -1,-0.2 -0.950 49.0-107.2-132.4 151.3 105.4 87.6 110.3 63 84 A E E -D 56 0A 102 -2,-0.3 2,-0.3 -7,-0.3 -7,-0.3 -0.278 23.5-176.6 -83.5 158.9 106.6 89.1 113.7 64 85 A I E -D 55 0A 4 -9,-3.4 -9,-2.4 43,-0.1 2,-0.2 -0.994 28.8-117.8-139.9 147.2 107.4 92.5 115.1 65 86 A G E +D 54 0A 3 -2,-0.3 2,-0.3 36,-0.3 -11,-0.2 -0.655 38.2 175.5 -76.0 140.7 108.8 93.7 118.5 66 87 A V E +D 53 0A 0 -13,-2.3 -13,-2.4 34,-0.3 2,-0.3 -0.958 11.3 116.7-144.9 156.6 106.4 95.9 120.6 67 88 A G E -DE 52 99A 0 32,-1.2 32,-2.6 -2,-0.3 -15,-0.2 -0.958 59.3 -47.4 166.5 173.2 106.5 97.5 124.1 68 89 A L E - E 0 98A 14 -17,-1.8 30,-0.2 -2,-0.3 2,-0.1 -0.412 65.3-104.8 -67.4 146.7 106.5 100.5 126.4 69 90 A S > - 0 0 8 28,-1.0 4,-2.6 1,-0.1 5,-0.2 -0.417 20.1-114.3 -75.6 154.1 109.0 103.2 125.5 70 91 A S H > S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.767 123.5 50.4 -55.6 -30.2 112.3 103.9 127.3 71 92 A D H > S+ 0 0 103 2,-0.2 4,-0.7 1,-0.1 -1,-0.2 0.934 111.4 48.2 -66.3 -48.5 110.7 107.3 128.3 72 93 A S H >4 S+ 0 0 4 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.842 106.6 54.8 -64.5 -42.4 107.6 105.5 129.5 73 94 A L H >< S+ 0 0 56 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.827 105.2 55.2 -57.6 -40.2 109.5 102.8 131.7 74 95 A R H 3< S+ 0 0 179 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.648 96.6 64.7 -69.9 -16.5 111.3 105.7 133.5 75 96 A R T << S+ 0 0 114 -3,-1.0 16,-0.4 -4,-0.7 -1,-0.3 0.375 78.4 121.1 -76.7 2.0 107.9 107.3 134.5 76 97 A S < - 0 0 37 -3,-1.3 14,-0.3 1,-0.1 3,-0.1 -0.424 55.2-152.9 -69.9 140.9 107.0 104.2 136.7 77 98 A D - 0 0 69 12,-1.5 2,-0.3 1,-0.3 13,-0.1 0.958 68.3 -36.7 -72.6 -55.0 106.4 104.7 140.4 78 99 A S - 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