==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-MAY-11 3RWX . COMPND 2 MOLECULE: HYPOTHETICAL BACTERIAL OUTER MEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14154.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 49.2 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 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 . 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 PARALLEL BRIDGES PER LADDER . 3 1 2 0 2 6 0 3 0 2 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 0 1 0 1 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 30 A T 0 0 151 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.0 -21.1 28.8 25.0 2 31 A N > - 0 0 66 1,-0.1 4,-1.4 3,-0.0 3,-0.3 -0.101 360.0-100.8 -77.7 175.0 -21.7 30.2 21.6 3 32 A X H > S+ 0 0 136 1,-0.2 4,-0.6 2,-0.2 5,-0.1 0.831 118.9 57.8 -72.0 -31.9 -19.5 32.6 19.6 4 33 A A H >> S+ 0 0 1 37,-0.3 3,-0.7 1,-0.2 4,-0.6 0.859 106.4 48.4 -63.0 -39.2 -21.6 35.7 20.5 5 34 A Q H >4 S+ 0 0 105 -3,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.853 100.1 66.8 -70.5 -32.4 -21.1 35.1 24.2 6 35 A E H 3< S+ 0 0 77 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.722 114.8 29.2 -59.0 -26.0 -17.3 34.7 23.6 7 36 A I H << S+ 0 0 0 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.383 90.7 129.7-117.6 3.2 -17.2 38.4 22.7 8 37 A A << + 0 0 38 -4,-0.6 2,-0.2 -3,-0.5 28,-0.2 -0.214 37.8 83.5 -55.9 143.1 -20.1 39.8 24.8 9 38 A G E S-A 35 0A 29 26,-2.4 26,-2.4 2,-0.1 2,-0.5 -0.802 73.2 -76.3 151.9 172.9 -19.3 42.8 26.9 10 39 A X E -A 34 0A 179 -2,-0.2 2,-0.4 24,-0.2 24,-0.2 -0.925 42.8-168.9-101.7 125.1 -18.9 46.5 27.6 11 40 A Y E -A 33 0A 12 22,-2.9 22,-2.7 -2,-0.5 2,-0.4 -0.969 2.7-158.1-120.6 134.3 -15.7 47.8 26.3 12 41 A E E +A 32 0A 112 -2,-0.4 106,-2.6 20,-0.2 2,-0.3 -0.890 34.0 94.0-118.8 140.7 -14.4 51.3 27.2 13 42 A G E -AB 31 117A 5 18,-2.3 18,-1.8 -2,-0.4 2,-0.3 -0.849 59.6 -62.0-178.0-138.3 -11.9 53.6 25.5 14 43 A Y E - B 0 116A 17 102,-2.6 102,-2.8 -2,-0.3 2,-0.4 -0.877 31.1-129.4-139.4 165.6 -11.6 56.4 23.1 15 44 A S E -AB 28 115A 0 13,-2.9 12,-2.5 -2,-0.3 13,-1.4 -0.972 13.7-165.7-128.7 132.8 -12.3 57.3 19.5 16 45 A I E -AB 26 114A 4 98,-2.1 98,-2.6 -2,-0.4 2,-0.3 -0.955 10.5-151.3-121.0 134.6 -10.1 58.8 16.8 17 46 A G E +AB 25 113A 0 8,-3.5 8,-2.5 -2,-0.4 2,-0.4 -0.829 13.2 179.3-114.0 145.7 -11.2 60.2 13.5 18 47 A N E + B 0 112A 47 94,-2.3 94,-3.3 -2,-0.3 2,-0.2 -0.995 13.8 147.9-141.8 133.2 -9.6 60.5 10.1 19 48 A C - 0 0 21 3,-2.8 90,-0.2 -2,-0.4 92,-0.2 -0.798 64.5 -75.7-144.3-167.7 -10.9 62.0 6.8 20 49 A A S S+ 0 0 78 88,-1.9 89,-0.1 -2,-0.2 3,-0.1 0.775 128.9 42.3 -65.5 -25.1 -9.5 63.9 3.8 21 50 A X S S+ 0 0 134 87,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.641 120.8 18.0-101.9 -20.7 -9.3 67.1 5.8 22 51 A F - 0 0 60 -3,-0.1 -3,-2.8 3,-0.0 2,-0.3 -0.993 57.7-154.7-149.6 158.3 -7.9 66.0 9.1 23 52 A T S S+ 0 0 106 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.929 70.7 12.8-129.4 155.3 -6.1 63.1 10.8 24 53 A D S S+ 0 0 53 -2,-0.3 2,-0.4 1,-0.2 -6,-0.2 0.822 77.3 163.3 52.0 45.5 -5.9 61.7 14.3 25 54 A Y E -A 17 0A 115 -8,-2.5 -8,-3.5 -3,-0.1 2,-0.6 -0.744 41.6-119.0 -97.6 135.5 -8.8 63.8 15.7 26 55 A V E +A 16 0A 42 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.624 30.7 175.6 -79.0 115.6 -10.4 62.9 19.0 27 56 A X E S- 0 0 6 -12,-2.5 2,-0.2 -2,-0.6 -11,-0.2 0.656 73.8 -10.0 -89.6 -21.5 -14.1 62.1 18.4 28 57 A G E -A 15 0A 12 -13,-1.4 -13,-2.9 -3,-0.1 -1,-0.4 -0.835 46.0-155.5-175.8 142.5 -14.5 61.1 22.0 29 58 A E E S+ 0 0 110 -2,-0.2 91,-0.3 -15,-0.2 2,-0.1 0.745 97.0 38.1 -91.8 -30.0 -12.4 60.4 25.1 30 59 A X E S+ 0 0 140 89,-0.1 -16,-0.2 -16,-0.1 -1,-0.2 -0.472 79.6 165.1-123.0 59.9 -14.8 58.1 26.9 31 60 A S E -A 13 0A 2 -18,-1.8 -18,-2.3 -3,-0.3 2,-0.4 -0.397 19.4-155.4 -76.6 154.1 -16.4 56.0 24.2 32 61 A V E -AC 12 48A 33 16,-1.6 16,-2.9 -20,-0.2 2,-0.4 -0.998 9.3-169.6-133.1 131.7 -18.3 52.8 25.0 33 62 A A E -AC 11 47A 0 -22,-2.7 -22,-2.9 -2,-0.4 2,-0.4 -0.994 9.7-167.9-118.8 131.3 -18.9 49.8 22.8 34 63 A T E -AC 10 46A 45 12,-2.6 12,-2.2 -2,-0.4 2,-0.5 -0.977 6.6-170.5-123.3 125.3 -21.5 47.2 24.0 35 64 A I E -AC 9 45A 2 -26,-2.4 -26,-2.4 -2,-0.4 10,-0.2 -0.975 10.8-179.8-117.4 117.6 -21.9 43.8 22.4 36 65 A V E - C 0 44A 76 8,-2.5 8,-2.2 -2,-0.5 -31,-0.1 -0.972 22.5-127.8-126.2 120.8 -24.9 41.8 23.6 37 66 A P E - C 0 43A 37 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.300 17.8-144.7 -62.1 142.8 -25.9 38.3 22.5 38 67 A N > - 0 0 42 4,-3.0 3,-1.9 1,-0.1 -34,-0.1 -0.633 31.4-102.5 -99.2 165.3 -29.5 37.5 21.2 39 68 A E T 3 S+ 0 0 206 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.843 121.2 54.8 -57.1 -34.0 -31.3 34.3 21.8 40 69 A D T 3 S- 0 0 107 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.346 123.3 -99.9 -82.7 4.0 -30.5 33.1 18.2 41 70 A G S < S+ 0 0 26 -3,-1.9 20,-0.3 1,-0.3 -37,-0.3 0.455 86.8 117.3 89.5 0.7 -26.7 33.6 18.6 42 71 A T - 0 0 7 18,-0.1 -4,-3.0 -39,-0.1 2,-0.3 -0.340 55.2-130.4 -84.5 176.2 -26.5 37.0 16.8 43 72 A I E -CD 37 59A 0 16,-2.2 16,-2.4 -6,-0.3 2,-0.4 -0.946 5.4-143.8-128.3 151.9 -25.4 40.2 18.5 44 73 A N E -C 36 0A 44 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.4 -0.962 22.2-160.5-105.0 135.2 -26.5 43.7 18.9 45 74 A V E -CD 35 56A 1 11,-2.5 11,-2.4 -2,-0.4 2,-0.5 -0.967 11.1-173.9-119.7 130.2 -23.7 46.3 18.9 46 75 A T E -CD 34 55A 40 -12,-2.2 -12,-2.6 -2,-0.4 2,-0.6 -0.993 5.1-175.1-120.1 121.8 -24.0 49.8 20.3 47 76 A Y E -CD 33 54A 0 7,-2.5 7,-3.0 -2,-0.5 2,-1.0 -0.934 7.9-169.0-120.7 105.0 -20.9 52.1 19.8 48 77 A D E +CD 32 53A 74 -16,-2.9 -16,-1.6 -2,-0.6 5,-0.2 -0.834 9.4 177.0 -92.0 101.4 -21.1 55.5 21.4 49 78 A S - 0 0 0 3,-2.3 -34,-0.2 -2,-1.0 -18,-0.2 0.644 46.7-113.7 -79.9 -19.2 -18.1 57.2 19.8 50 79 A G S S+ 0 0 45 2,-0.3 3,-0.1 -20,-0.1 -22,-0.1 0.106 113.4 54.0 98.2 -19.2 -18.7 60.5 21.4 51 80 A S S S- 0 0 12 1,-0.5 24,-2.0 -23,-0.1 2,-0.2 -0.042 125.4 -5.9-129.9 31.6 -19.5 62.2 18.0 52 81 A G - 0 0 3 22,-0.3 -3,-2.3 23,-0.2 2,-0.6 -0.493 65.8-117.6 146.5 138.6 -22.2 59.7 17.0 53 82 A E E -D 48 0A 90 20,-0.4 2,-0.6 -5,-0.2 20,-0.4 -0.917 25.4-159.5-104.1 119.9 -23.9 56.5 18.2 54 83 A F E -D 47 0A 0 -7,-3.0 -7,-2.5 -2,-0.6 2,-0.4 -0.876 11.5-172.2-104.0 118.7 -23.5 53.6 15.8 55 84 A X E +D 46 0A 154 -2,-0.6 2,-0.4 16,-0.4 16,-0.2 -0.917 10.8 176.7-117.5 134.9 -26.1 50.7 16.1 56 85 A L E -D 45 0A 5 -11,-2.4 -11,-2.5 -2,-0.4 2,-0.3 -0.999 11.0-161.0-131.2 141.8 -26.3 47.3 14.5 57 86 A N E + 0 0 89 -2,-0.4 -13,-0.2 -13,-0.2 -14,-0.0 -0.896 63.1 4.4-121.9 144.6 -28.8 44.6 15.2 58 87 A N E S+ 0 0 75 -2,-0.3 2,-0.3 1,-0.2 -14,-0.2 0.822 78.0 165.6 57.8 43.3 -28.9 40.8 14.6 59 88 A I E -D 43 0A 23 -16,-2.4 -16,-2.2 -3,-0.2 -1,-0.2 -0.688 33.0-124.9 -92.3 142.3 -25.4 40.5 13.2 60 89 A X - 0 0 172 -2,-0.3 7,-0.4 -18,-0.2 2,-0.4 -0.490 19.5-136.0 -84.9 152.7 -23.7 37.2 12.9 61 90 A V + 0 0 22 -20,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.937 20.6 179.4-114.3 135.3 -20.3 36.4 14.5 62 91 A T B > -E 65 0A 94 3,-2.6 3,-1.2 -2,-0.4 -2,-0.0 -0.982 69.6 -20.8-136.4 125.8 -17.3 34.6 12.8 63 92 A S T 3 S- 0 0 60 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.893 125.5 -53.4 45.1 47.9 -13.9 33.9 14.3 64 93 A X T 3 S+ 0 0 78 1,-0.2 28,-2.0 27,-0.1 2,-0.3 0.754 119.5 109.8 63.1 29.3 -14.4 36.7 16.9 65 94 A T E < +EF 62 91A 60 -3,-1.2 -3,-2.6 26,-0.2 2,-0.3 -0.928 40.8 174.7-135.0 150.1 -15.2 39.1 14.1 66 95 A F E - F 0 90A 4 24,-2.3 24,-2.5 -2,-0.3 2,-0.3 -0.978 3.7-179.5-151.3 164.6 -18.3 40.9 12.9 67 96 A E E + F 0 89A 134 -7,-0.4 2,-0.3 -2,-0.3 22,-0.2 -0.975 10.7 144.9-158.0 163.0 -19.4 43.5 10.5 68 97 A G E - F 0 88A 20 20,-2.0 20,-3.3 -2,-0.3 2,-0.3 -0.965 30.5-115.2 177.2 177.2 -22.5 45.4 9.3 69 98 A S E + F 0 87A 85 -2,-0.3 2,-0.3 18,-0.3 18,-0.2 -0.873 35.9 131.2-131.6 162.0 -24.0 48.6 8.0 70 99 A G E - F 0 86A 23 16,-2.3 16,-3.0 -2,-0.3 2,-0.4 -0.922 48.4 -69.0-175.9-158.2 -26.5 51.1 9.1 71 100 A Q E - F 0 85A 134 -2,-0.3 -16,-0.4 14,-0.3 2,-0.4 -0.954 35.6-170.1-124.5 141.4 -27.3 54.8 9.6 72 101 A V E - F 0 84A 2 12,-2.5 12,-2.4 -2,-0.4 2,-0.8 -0.979 21.4-143.0-131.5 141.9 -25.8 57.3 12.0 73 102 A E - 0 0 146 -20,-0.4 -20,-0.4 -2,-0.4 10,-0.1 -0.899 32.9-143.0 -97.7 100.9 -26.7 60.8 13.0 74 103 A L - 0 0 17 -2,-0.8 7,-0.5 8,-0.4 -22,-0.3 -0.315 18.8-172.1 -64.1 142.0 -23.2 62.4 13.6 75 104 A S + 0 0 57 -24,-2.0 -23,-0.2 1,-0.1 3,-0.1 -0.515 35.9 137.2-135.6 65.7 -22.7 65.0 16.4 76 105 A X S S+ 0 0 66 -25,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.779 92.9 14.8 -71.1 -28.5 -19.3 66.5 16.0 77 106 A N S S- 0 0 91 2,-0.2 4,-0.2 -3,-0.1 -1,-0.1 -0.884 92.7-102.5-131.0 171.7 -21.4 69.5 16.8 78 107 A D S S+ 0 0 112 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.0 0.793 81.8 115.2 -60.6 -28.2 -24.9 70.1 18.2 79 108 A X S S- 0 0 199 1,-0.2 2,-2.0 -4,-0.0 -2,-0.2 0.000 85.3 -91.3 -60.2 146.8 -26.4 70.9 14.8 80 109 A P - 0 0 138 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.278 48.5-173.7 -62.1 79.4 -29.1 68.7 13.1 81 110 A A - 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