==== 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 3CRF . 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) . 13514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 43.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.9 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 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 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 3 1 5 4 1 0 0 0 1 0 1 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 22 A D 0 0 140 0, 0.0 32,-0.6 0, 0.0 31,-0.5 0.000 360.0 360.0 360.0 180.0 87.5 102.0 138.4 2 23 A L - 0 0 7 129,-0.1 2,-0.5 28,-0.1 28,-0.2 -0.985 360.0-148.9-134.6 145.7 89.6 102.9 135.3 3 24 A T E -A 29 0A 93 26,-3.2 26,-2.9 -2,-0.3 2,-0.4 -0.970 25.2-167.0-114.2 120.0 88.8 104.3 131.9 4 25 A V E -A 28 0A 14 -2,-0.5 2,-0.4 24,-0.2 24,-0.2 -0.900 14.0-179.8-117.1 130.4 91.2 103.0 129.3 5 26 A S E -A 27 0A 58 22,-2.8 22,-3.2 -2,-0.4 2,-0.5 -0.988 7.2-167.7-123.3 138.3 91.8 104.2 125.7 6 27 A L E -A 26 0A 13 -2,-0.4 20,-0.2 20,-0.2 130,-0.1 -0.971 12.9-167.8-127.9 112.5 94.3 102.6 123.4 7 28 A I E -A 25 0A 89 18,-3.0 18,-2.4 -2,-0.5 130,-0.1 -0.899 12.6-140.2-114.8 111.4 94.9 104.8 120.3 8 29 A P E -A 24 0A 56 0, 0.0 2,-0.3 0, 0.0 16,-0.3 -0.359 22.6-119.5 -62.5 142.0 96.8 103.5 117.2 9 30 A V - 0 0 59 14,-2.5 131,-0.4 1,-0.1 3,-0.4 -0.651 36.7-132.6 -75.8 139.6 99.2 105.9 115.4 10 31 A S S S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.2 129,-0.0 -0.363 73.6 27.8 -93.2 171.3 97.9 106.5 111.8 11 32 A G S S+ 0 0 70 1,-0.1 -1,-0.2 -2,-0.1 130,-0.1 0.761 74.1 171.9 57.9 26.6 99.8 106.4 108.4 12 33 A L B -f 141 0B 21 128,-0.6 130,-3.1 -3,-0.4 2,-0.3 -0.324 21.4-134.8 -69.9 156.2 102.5 104.0 109.6 13 34 A K - 0 0 62 128,-0.3 94,-0.1 1,-0.1 130,-0.1 -0.786 7.2-114.2-122.1 155.8 104.8 102.7 106.8 14 35 A A S S+ 0 0 3 -2,-0.3 94,-0.2 128,-0.1 93,-0.2 -0.230 71.3 19.0 -84.8 171.7 106.4 99.4 105.7 15 36 A G E S+G 107 0C 5 92,-3.6 92,-1.5 91,-0.3 256,-0.3 -0.367 114.5 18.2 73.9-154.4 110.0 98.1 105.6 16 37 A K E S-G 106 0C 105 254,-2.9 90,-0.3 90,-0.3 2,-0.2 -0.352 76.7-177.6 -56.8 112.0 112.8 99.7 107.7 17 38 A N - 0 0 19 88,-2.5 3,-0.1 -2,-0.2 -3,-0.0 -0.663 36.9 -80.3-104.0 168.2 110.9 101.8 110.4 18 39 A A > - 0 0 61 -2,-0.2 3,-2.2 86,-0.1 82,-0.2 -0.430 50.5-104.3 -65.2 138.5 112.5 104.0 113.1 19 40 A P T 3 S+ 0 0 75 0, 0.0 82,-0.2 0, 0.0 85,-0.1 -0.315 110.8 10.3 -50.1 143.6 113.9 102.1 116.1 20 41 A S T 3 S+ 0 0 62 80,-1.9 81,-0.1 82,-0.7 -2,-0.1 0.738 90.1 177.1 56.6 20.2 111.4 102.7 119.0 21 42 A A < - 0 0 20 -3,-2.2 79,-2.2 79,-0.3 2,-0.3 -0.358 35.8-110.8 -53.3 138.0 108.9 104.3 116.5 22 43 A K E + B 0 99A 119 77,-0.2 77,-0.3 1,-0.1 3,-0.1 -0.550 44.8 165.7 -71.8 135.1 105.6 105.1 118.3 23 44 A I E + 0 0 0 75,-3.0 -14,-2.5 1,-0.4 2,-0.3 0.576 59.2 11.4-124.3 -20.0 102.7 102.9 117.3 24 45 A A E -AB 8 98A 2 74,-1.6 74,-2.8 -16,-0.3 2,-0.5 -0.987 57.5-137.8-157.3 151.9 100.0 103.4 120.0 25 46 A K E -AB 7 97A 71 -18,-2.4 -18,-3.0 -2,-0.3 2,-0.5 -0.963 15.1-153.4-112.9 127.6 99.1 105.7 122.9 26 47 A L E -AB 6 96A 1 70,-2.9 70,-2.5 -2,-0.5 2,-0.5 -0.885 11.1-171.0 -98.9 127.7 97.7 104.2 126.1 27 48 A V E -AB 5 95A 25 -22,-3.2 -22,-2.8 -2,-0.5 2,-0.5 -0.983 4.2-178.6-120.5 120.8 95.5 106.6 128.1 28 49 A V E +AB 4 94A 0 66,-2.0 65,-2.2 -2,-0.5 66,-1.3 -0.973 6.1 177.8-123.6 116.9 94.4 105.5 131.6 29 50 A N E +A 3 0A 62 -26,-2.9 -26,-3.2 -2,-0.5 2,-0.3 -0.879 3.2 168.9-115.9 150.8 92.1 107.8 133.6 30 51 A S - 0 0 13 -2,-0.3 -28,-0.1 -28,-0.2 -2,-0.0 -0.956 30.3-164.9-158.3 143.7 90.5 107.4 137.0 31 52 A T S S+ 0 0 147 -2,-0.3 -29,-0.1 -30,-0.2 -1,-0.1 0.526 100.0 30.5 -94.1 -13.2 88.6 109.4 139.6 32 53 A T S S+ 0 0 85 -31,-0.5 2,-0.4 1,-0.1 -30,-0.1 0.709 106.3 66.3-120.2 -33.1 89.1 106.8 142.3 33 54 A L - 0 0 10 -32,-0.6 -1,-0.1 1,-0.1 89,-0.1 -0.851 54.4-159.8-104.9 132.9 92.4 105.0 141.8 34 55 A K S S+ 0 0 156 -2,-0.4 58,-2.2 87,-0.2 2,-0.3 0.737 73.9 19.0 -77.8 -25.8 95.8 106.7 142.0 35 56 A E E -HI 91 121D 22 86,-1.1 86,-2.6 56,-0.3 2,-0.3 -0.913 58.1-158.5-144.1 163.7 97.8 104.1 140.0 36 57 A F E -HI 90 120D 1 54,-2.4 54,-2.5 -2,-0.3 2,-0.3 -0.980 12.1-139.8-142.4 156.8 97.5 101.3 137.5 37 58 A G E -HI 89 119D 0 82,-2.8 82,-2.4 -2,-0.3 2,-0.3 -0.862 20.9-165.5-110.2 151.8 99.6 98.3 136.4 38 59 A V E + I 0 118D 3 50,-1.3 50,-0.5 -2,-0.3 2,-0.3 -1.000 11.0 176.1-142.4 139.7 99.9 97.2 132.7 39 60 A R E - I 0 117D 45 78,-2.2 78,-2.8 -2,-0.3 2,-0.2 -0.994 29.7-120.9-137.2 143.0 101.1 94.1 130.9 40 61 A G E - I 0 116D 3 10,-3.3 2,-0.5 -2,-0.3 76,-0.2 -0.575 24.9-151.3 -75.2 146.5 101.2 93.2 127.2 41 62 A I E + I 0 115D 59 74,-2.6 74,-0.6 -2,-0.2 2,-0.3 -0.988 37.9 117.4-122.8 119.6 99.2 90.0 126.3 42 63 A S S S- 0 0 37 -2,-0.5 3,-0.3 72,-0.1 13,-0.1 -0.906 74.6 -85.4-157.8-168.2 100.3 87.9 123.3 43 64 A N S S+ 0 0 176 11,-0.3 2,-0.2 -2,-0.3 12,-0.1 0.441 119.5 36.7 -86.9 1.1 101.6 84.5 122.2 44 65 A N + 0 0 65 10,-0.4 10,-2.4 0, 0.0 2,-0.4 -0.631 65.8 177.5-157.2 83.8 105.2 85.6 122.9 45 66 A V B -C 53 0A 56 -3,-0.3 8,-0.3 8,-0.2 -4,-0.0 -0.791 11.3-165.5 -90.1 133.5 105.9 87.9 125.9 46 67 A V + 0 0 79 6,-1.9 2,-0.3 -2,-0.4 7,-0.2 0.410 55.0 48.3-113.6 2.9 109.6 88.5 126.2 47 68 A D S > S- 0 0 63 5,-0.8 3,-1.4 1,-0.0 5,-0.1 -0.951 80.6-108.3-140.6 168.5 110.4 90.0 129.6 48 69 A S T 3 S+ 0 0 88 -2,-0.3 38,-0.4 1,-0.3 -3,-0.0 0.572 116.9 44.4 -72.5 -10.9 109.6 89.3 133.3 49 70 A T T 3 S- 0 0 20 36,-0.1 39,-0.4 3,-0.1 -1,-0.3 0.405 105.2-122.6-107.6 -1.3 107.2 92.4 133.6 50 71 A G S < S+ 0 0 0 -3,-1.4 -10,-3.3 -11,-0.1 -2,-0.1 0.808 76.1 125.0 62.2 29.8 105.4 91.8 130.4 51 72 A T + 0 0 8 -12,-0.2 17,-2.3 1,-0.1 2,-0.3 0.403 70.0 43.9-100.8 3.1 106.3 95.3 129.2 52 73 A A E S+ D 0 67A 16 15,-0.2 -6,-1.9 -5,-0.1 -5,-0.8 -0.984 70.5 144.8-140.6 140.0 107.9 94.0 125.9 53 74 A W E -CD 45 66A 3 13,-2.7 13,-3.0 -2,-0.3 2,-0.3 -0.912 39.8-105.9-159.3 174.6 106.4 91.3 123.7 54 75 A R E + D 0 65A 92 -10,-2.4 -10,-0.4 -2,-0.3 -11,-0.3 -0.909 27.6 177.7-115.8 151.6 106.0 90.3 120.0 55 76 A V E - D 0 64A 14 9,-2.5 9,-3.4 -2,-0.3 2,-0.3 -0.887 17.0-132.9-140.5 170.9 103.0 90.5 117.6 56 77 A A E - D 0 63A 34 7,-0.3 2,-0.3 -2,-0.3 7,-0.3 -0.913 24.3 -88.4-140.5 159.2 102.5 89.6 113.9 57 78 A G > - 0 0 2 5,-3.3 4,-3.2 -2,-0.3 55,-0.2 -0.401 34.8-147.3 -59.0 112.9 101.2 90.6 110.4 58 79 A K T 4 S+ 0 0 111 53,-3.8 -1,-0.2 -2,-0.3 54,-0.1 0.862 96.0 28.2 -52.9 -39.9 97.6 89.4 110.3 59 80 A N T 4 S+ 0 0 136 52,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.860 130.1 37.0 -89.1 -40.8 97.8 88.6 106.5 60 81 A T T 4 S- 0 0 40 51,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.624 93.6-136.1 -91.4 -12.5 101.5 87.8 106.1 61 82 A G < + 0 0 61 -4,-3.2 2,-0.3 1,-0.2 -3,-0.1 0.892 55.0 134.4 64.2 41.4 102.1 86.0 109.4 62 83 A K - 0 0 117 -5,-0.1 -5,-3.3 46,-0.1 -1,-0.2 -0.947 48.5-112.6-128.2 149.9 105.4 87.7 110.3 63 84 A E E -D 56 0A 106 -2,-0.3 2,-0.3 -7,-0.3 -7,-0.3 -0.378 21.7-173.2 -89.8 157.9 106.5 89.2 113.7 64 85 A I E -D 55 0A 5 -9,-3.4 -9,-2.5 -2,-0.1 2,-0.5 -0.994 25.3-124.7-137.8 147.1 107.3 92.6 115.2 65 86 A G E +D 54 0A 5 -2,-0.3 36,-1.4 36,-0.3 2,-0.3 -0.761 37.2 170.9 -89.3 126.6 108.7 93.5 118.7 66 87 A V E +DE 53 100A 0 -13,-3.0 -13,-2.7 -2,-0.5 2,-0.3 -0.884 7.6 128.3-131.0 163.7 106.6 96.0 120.6 67 88 A G E -DE 52 99A 0 32,-1.5 32,-3.0 -2,-0.3 -15,-0.2 -0.969 58.5 -46.7 171.9 177.5 106.5 97.4 124.2 68 89 A L E - E 0 98A 8 -17,-2.3 30,-0.2 -2,-0.3 -17,-0.0 -0.434 66.0-106.9 -64.9 142.8 106.4 100.4 126.4 69 90 A S > - 0 0 9 28,-2.4 4,-2.7 1,-0.1 5,-0.2 -0.288 25.0-112.6 -66.1 159.4 108.9 103.1 125.4 70 91 A S H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.876 120.5 51.2 -60.1 -39.7 112.0 103.7 127.4 71 92 A D H > S+ 0 0 107 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.929 110.8 48.5 -61.1 -47.1 110.7 107.1 128.5 72 93 A S H >4 S+ 0 0 2 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.920 109.2 52.7 -60.1 -44.8 107.4 105.5 129.5 73 94 A L H >< S+ 0 0 50 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.887 104.7 56.1 -57.5 -40.0 109.2 102.8 131.5 74 95 A R H 3< S+ 0 0 179 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.611 98.1 63.0 -71.8 -10.6 111.1 105.5 133.4 75 96 A R T << S+ 0 0 105 -3,-1.4 16,-0.4 -4,-0.6 -1,-0.3 0.461 76.4 124.5 -87.1 -4.7 107.8 107.1 134.5 76 97 A S < - 0 0 38 -3,-1.7 14,-0.3 -4,-0.3 3,-0.1 -0.227 55.3-150.3 -56.2 142.4 106.9 103.9 136.4 77 98 A D - 0 0 62 12,-2.7 2,-0.3 1,-0.4 13,-0.2 0.841 68.9 -45.7 -79.4 -34.2 106.1 104.5 140.1 78 99 A S E -J 89 0D 31 11,-0.9 11,-3.1 2,-0.0 2,-0.5 -0.958 51.3-102.8-178.0 170.1 107.3 101.0 141.1 79 100 A T E -J 88 0D 67 -2,-0.3 9,-0.3 9,-0.2 2,-0.2 -0.992 44.8-176.0-114.8 121.1 107.1 97.3 140.1 80 101 A E E -J 87 0D 61 7,-2.7 7,-2.8 -2,-0.5 2,-0.4 -0.633 19.8-124.2-112.0 169.1 104.8 95.5 142.5 81 102 A K E -J 86 0D 141 5,-0.2 2,-0.6 -2,-0.2 5,-0.2 -0.965 9.2-162.5-120.1 133.4 103.8 91.9 142.8 82 103 A W E > S-J 85 0D 56 3,-2.4 3,-2.1 -2,-0.4 44,-0.0 -0.955 88.2 -31.0-113.1 105.5 100.3 90.4 142.7 83 104 A N T 3 S- 0 0 155 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.908 130.2 -43.7 43.9 48.4 100.5 87.0 144.3 84 105 A G T 3 S+ 0 0 54 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.276 112.3 120.7 89.4 -9.7 104.1 86.8 142.9 85 106 A V E < - 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