==== 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 TRANSPORT PROTEIN 25-DEC-09 3L6U . COMPND 2 MOLECULE: ABC-TYPE SUGAR TRANSPORT SYSTEM PERIPLASMIC COMPO . SOURCE 2 ORGANISM_SCIENTIFIC: EXIGUOBACTERIUM SIBIRICUM; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALM . 548 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.5 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 . 0 0.0 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-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 . 36 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.7 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 2 2 0 0 0 6 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 7 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 9 A N 0 0 131 0, 0.0 31,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 57.6 43.1 18.2 35.8 2 10 A I E -a 32 0A 18 29,-0.2 56,-3.1 54,-0.2 57,-0.9 -0.997 360.0-158.6-142.5 143.3 44.0 20.9 33.3 3 11 A V E -ab 33 59A 0 29,-1.9 31,-2.1 -2,-0.4 2,-0.4 -0.985 18.2-148.8-120.7 127.7 42.3 22.4 30.2 4 12 A G E -ab 34 60A 0 55,-2.7 57,-3.6 -2,-0.5 2,-0.4 -0.819 10.0-168.2-101.7 140.4 44.5 24.2 27.7 5 13 A F E -ab 35 61A 0 29,-2.3 31,-2.8 -2,-0.4 2,-0.5 -0.991 2.0-172.5-129.1 123.2 43.4 27.2 25.6 6 14 A T E +ab 36 62A 0 55,-2.3 57,-2.4 -2,-0.4 2,-0.3 -0.972 9.7 178.3-116.3 127.4 45.4 28.6 22.7 7 15 A I E -ab 37 63A 2 29,-2.2 31,-1.6 -2,-0.5 32,-0.4 -0.973 39.2-112.6-131.7 145.7 44.3 31.8 21.0 8 16 A V S S- 0 0 3 55,-1.5 32,-2.3 -2,-0.3 31,-0.6 0.815 87.0 -22.2 -40.8 -49.6 45.8 33.9 18.2 9 17 A N - 0 0 9 30,-0.2 -1,-0.1 29,-0.2 27,-0.0 -0.963 42.4-125.2-158.3 177.5 46.7 36.9 20.3 10 18 A D S S+ 0 0 78 -2,-0.3 6,-0.1 1,-0.1 -1,-0.1 0.387 91.9 80.5-107.9 -2.0 46.2 38.9 23.5 11 19 A K + 0 0 108 4,-0.1 -1,-0.1 5,-0.0 5,-0.0 0.908 68.2 83.8 -75.2 -47.5 45.6 42.2 21.7 12 20 A H S > S- 0 0 24 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.316 73.5-139.4 -58.0 139.9 41.9 42.0 20.7 13 21 A E H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 106.5 54.0 -70.3 -31.7 39.6 43.0 23.5 14 22 A F H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 105.2 53.1 -68.5 -34.3 37.3 40.1 22.5 15 23 A A H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 108.3 50.7 -63.9 -40.8 40.3 37.7 22.8 16 24 A Q H X S+ 0 0 66 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.910 109.5 50.6 -61.8 -42.7 40.8 39.1 26.3 17 25 A R H X S+ 0 0 57 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.862 110.4 49.5 -63.8 -35.7 37.2 38.5 27.1 18 26 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.909 112.2 47.9 -69.6 -40.9 37.6 34.9 25.8 19 27 A I H X S+ 0 0 13 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.947 113.9 46.4 -64.4 -47.1 40.7 34.4 27.9 20 28 A N H X S+ 0 0 91 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.876 113.3 49.2 -63.4 -37.8 39.0 35.8 31.0 21 29 A A H X S+ 0 0 13 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.902 109.5 52.9 -68.8 -39.8 35.8 33.7 30.4 22 30 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.935 110.5 46.0 -60.2 -49.1 37.9 30.6 29.9 23 31 A K H X S+ 0 0 104 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.927 113.8 49.2 -61.5 -44.8 39.8 31.1 33.3 24 32 A A H X S+ 0 0 50 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.928 115.7 42.2 -61.4 -47.1 36.5 31.8 35.1 25 33 A E H X S+ 0 0 23 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.886 110.1 56.8 -68.8 -37.7 34.7 28.8 33.7 26 34 A A H <>S+ 0 0 0 -4,-2.9 5,-3.2 -5,-0.3 3,-0.3 0.935 112.0 43.7 -56.9 -44.6 37.8 26.5 34.1 27 35 A K H ><5S+ 0 0 157 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.904 108.7 56.0 -66.9 -42.9 37.7 27.4 37.8 28 36 A A H 3<5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.757 111.1 46.5 -61.4 -23.3 33.9 27.1 38.1 29 37 A N T 3<5S- 0 0 50 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.200 119.5-112.2-103.3 13.2 34.4 23.5 36.8 30 38 A K T < 5S+ 0 0 177 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.827 71.7 136.8 60.3 38.0 37.3 22.8 39.2 31 39 A Y < - 0 0 47 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.800 57.2-122.6-111.2 153.1 39.9 22.7 36.5 32 40 A E E -a 2 0A 126 -31,-2.3 -29,-1.9 -2,-0.3 2,-0.5 -0.698 35.3-138.3 -87.7 148.7 43.4 24.2 36.5 33 41 A A E -a 3 0A 32 -2,-0.3 2,-0.5 -31,-0.2 -29,-0.2 -0.946 20.2-171.9-122.0 131.4 43.7 26.5 33.5 34 42 A L E -a 4 0A 64 -31,-2.1 -29,-2.3 -2,-0.5 2,-0.4 -0.973 10.0-167.8-116.3 127.1 46.6 27.0 31.1 35 43 A V E -a 5 0A 54 -2,-0.5 2,-0.4 -31,-0.2 -29,-0.2 -0.953 6.1-179.8-119.0 134.9 46.4 29.8 28.5 36 44 A A E -a 6 0A 20 -31,-2.8 -29,-2.2 -2,-0.4 2,-0.4 -0.990 11.1-157.5-134.4 141.8 48.8 30.3 25.6 37 45 A T E -a 7 0A 36 -2,-0.4 -29,-0.2 -31,-0.2 -28,-0.1 -0.969 7.3-165.4-122.0 134.9 48.9 32.9 22.9 38 46 A S - 0 0 2 -31,-1.6 3,-0.5 -2,-0.4 6,-0.3 0.492 31.4-132.7 -95.5 -5.0 50.5 32.5 19.4 39 47 A Q S S- 0 0 117 -31,-0.6 -30,-0.2 -32,-0.4 -31,-0.1 0.949 73.7 -52.0 49.8 56.8 50.7 36.2 18.4 40 48 A N S S+ 0 0 102 -32,-2.3 2,-0.6 1,-0.2 -1,-0.2 0.812 107.3 135.7 50.4 35.4 49.2 35.5 14.9 41 49 A S > - 0 0 45 -3,-0.5 4,-1.7 -33,-0.3 -1,-0.2 -0.938 41.1-168.0-117.2 109.0 51.9 32.7 14.5 42 50 A R H > S+ 0 0 115 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.844 90.3 56.4 -62.3 -34.2 50.6 29.5 13.0 43 51 A I H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 109.4 43.3 -65.2 -43.6 53.8 27.8 13.8 44 52 A S H > S+ 0 0 30 -6,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.773 110.1 58.0 -73.8 -25.8 53.6 28.7 17.5 45 53 A E H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.928 108.3 46.6 -67.6 -44.2 49.9 27.7 17.5 46 54 A R H X S+ 0 0 76 -4,-2.1 4,-2.6 1,-0.2 3,-0.4 0.958 113.4 46.6 -62.0 -52.4 50.9 24.3 16.3 47 55 A E H X S+ 0 0 85 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.832 110.0 55.5 -60.5 -32.6 53.7 23.8 18.9 48 56 A Q H X S+ 0 0 37 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.855 108.4 47.2 -69.2 -34.3 51.3 25.1 21.6 49 57 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.4 -2,-0.2 0.946 113.0 48.9 -70.3 -46.8 48.8 22.4 20.7 50 58 A L H X S+ 0 0 53 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.840 108.7 54.1 -60.5 -35.0 51.5 19.8 20.7 51 59 A E H X S+ 0 0 91 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.899 106.1 51.3 -67.7 -40.6 52.8 21.0 24.1 52 60 A F H <>S+ 0 0 10 -4,-1.7 5,-1.9 2,-0.2 4,-0.2 0.898 110.2 50.1 -61.8 -41.1 49.3 20.6 25.7 53 61 A V H ><5S+ 0 0 22 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.914 109.6 50.9 -61.8 -44.0 49.2 17.1 24.3 54 62 A H H 3<5S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.878 107.2 53.7 -61.2 -38.9 52.6 16.4 25.8 55 63 A L T 3<5S- 0 0 82 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.482 110.6-126.5 -75.5 -1.9 51.4 17.8 29.1 56 64 A K T < 5 - 0 0 169 -3,-1.5 -3,-0.2 -4,-0.2 -54,-0.2 0.911 38.8-173.6 56.5 46.4 48.5 15.3 29.0 57 65 A V < - 0 0 4 -5,-1.9 -54,-0.2 1,-0.1 3,-0.1 -0.268 31.2-123.9 -66.2 158.8 45.9 18.0 29.5 58 66 A D S S- 0 0 71 -56,-3.1 2,-0.3 1,-0.3 -55,-0.2 0.737 86.3 -6.8 -77.8 -23.1 42.3 16.8 29.9 59 67 A A E -b 3 0A 0 -57,-0.9 -55,-2.7 23,-0.2 2,-0.4 -0.958 61.7-136.8-168.0 153.8 41.1 19.0 27.0 60 68 A I E -bc 4 84A 0 23,-2.3 25,-2.5 -2,-0.3 2,-0.4 -0.979 9.7-162.3-125.3 128.3 42.2 21.6 24.6 61 69 A F E -bc 5 85A 0 -57,-3.6 -55,-2.3 -2,-0.4 2,-0.4 -0.907 15.1-166.2-106.8 134.9 40.3 24.7 23.5 62 70 A I E -bc 6 86A 0 23,-2.5 25,-2.5 -2,-0.4 2,-0.6 -0.978 27.0-178.6-131.9 132.7 41.4 26.5 20.3 63 71 A T E -b 7 0A 2 -57,-2.4 -55,-1.5 -2,-0.4 25,-0.1 -0.880 40.0-161.7-122.3 91.1 40.6 29.9 18.7 64 72 A T - 0 0 6 -2,-0.6 3,-0.2 25,-0.4 -56,-0.1 -0.188 38.5-155.6 -81.4 167.6 42.7 29.5 15.5 65 73 A L S S+ 0 0 46 1,-0.3 2,-0.3 -57,-0.1 -1,-0.1 0.630 98.8 12.3-105.7 -30.6 44.2 31.6 12.8 66 74 A D > - 0 0 33 -24,-0.1 4,-1.2 1,-0.1 -1,-0.3 -0.807 62.6-166.6-153.4 103.4 44.2 28.8 10.3 67 75 A D T 4 S+ 0 0 22 -2,-0.3 -1,-0.1 1,-0.2 24,-0.1 0.682 89.9 54.8 -67.5 -18.8 42.3 25.6 11.1 68 76 A V T >4 S+ 0 0 110 2,-0.1 3,-1.8 1,-0.1 4,-0.3 0.876 100.3 57.8 -81.1 -40.8 44.0 23.7 8.2 69 77 A Y T >4 S+ 0 0 73 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.897 108.3 45.6 -55.3 -46.6 47.5 24.4 9.4 70 78 A I T 3X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.181 82.3 112.2 -85.0 17.6 47.0 22.8 12.8 71 79 A G H <> S+ 0 0 19 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.927 78.8 41.0 -56.4 -49.9 45.2 19.8 11.2 72 80 A S H <> S+ 0 0 72 -3,-0.5 4,-1.4 -4,-0.3 -1,-0.2 0.872 113.4 53.8 -68.3 -38.1 47.9 17.3 12.0 73 81 A A H > S+ 0 0 1 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.919 108.0 50.0 -63.0 -44.0 48.4 18.6 15.5 74 82 A I H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.894 108.8 51.7 -62.4 -39.9 44.7 18.4 16.4 75 83 A E H X S+ 0 0 84 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.823 106.1 56.5 -66.3 -28.5 44.6 14.8 15.1 76 84 A E H X S+ 0 0 94 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.939 104.7 50.9 -66.4 -46.3 47.6 14.1 17.4 77 85 A A H <>S+ 0 0 1 -4,-2.1 5,-2.8 1,-0.2 -2,-0.2 0.907 110.6 50.4 -56.6 -41.8 45.6 15.4 20.4 78 86 A K H ><5S+ 0 0 125 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.913 106.2 53.5 -63.5 -44.4 42.8 13.0 19.3 79 87 A K H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.7 52.6 -58.7 -33.6 45.2 10.0 19.1 80 88 A A T 3<5S- 0 0 57 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.413 122.3-109.4 -82.8 1.3 46.3 10.8 22.6 81 89 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.796 73.3 139.4 75.9 28.7 42.7 10.8 23.7 82 90 A I < - 0 0 11 -5,-2.8 -1,-0.2 -6,-0.2 -23,-0.2 -0.928 47.5-137.1-110.1 114.5 42.5 14.5 24.3 83 91 A P - 0 0 16 0, 0.0 -23,-2.3 0, 0.0 2,-0.4 -0.442 16.9-154.2 -69.7 141.0 39.2 16.1 23.1 84 92 A V E -c 60 0A 1 11,-0.4 13,-2.3 -25,-0.2 14,-0.8 -0.960 8.3-168.2-121.6 136.2 39.5 19.4 21.3 85 93 A F E -cd 61 98A 0 -25,-2.5 -23,-2.5 -2,-0.4 2,-0.4 -0.982 15.5-138.4-124.9 134.7 36.9 22.2 21.1 86 94 A A E -cd 62 99A 0 12,-2.3 14,-3.3 -2,-0.4 2,-0.4 -0.775 20.1-163.0 -92.0 131.2 36.9 25.2 18.8 87 95 A I E - d 0 100A 0 -25,-2.5 2,-2.3 -2,-0.4 14,-0.2 -0.956 63.6 -16.1-118.9 136.3 35.8 28.5 20.3 88 96 A D S S+ 0 0 14 12,-2.6 2,-0.5 -2,-0.4 14,-0.4 -0.217 128.9 58.1 72.9 -49.0 34.8 31.6 18.5 89 97 A R S S- 0 0 24 -2,-2.3 -25,-0.4 -27,-0.3 -2,-0.1 -0.965 89.3-124.7-116.3 121.4 36.3 30.4 15.2 90 98 A X - 0 0 37 -2,-0.5 2,-0.5 9,-0.1 50,-0.3 -0.290 17.0-155.8 -65.4 145.8 35.0 27.2 13.7 91 99 A I - 0 0 6 2,-0.1 2,-1.1 -5,-0.1 -5,-0.1 -0.992 9.0-145.5-123.3 126.2 37.5 24.4 12.9 92 100 A R + 0 0 168 -2,-0.5 2,-0.3 3,-0.0 -2,-0.0 -0.785 52.3 121.1 -95.0 94.3 36.5 21.9 10.2 93 101 A S > - 0 0 29 -2,-1.1 3,-2.3 3,-0.1 -2,-0.1 -0.934 62.0-142.9-158.5 130.9 38.1 18.7 11.5 94 102 A D T 3 S+ 0 0 134 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.503 106.9 67.8 -71.0 -1.0 36.7 15.3 12.4 95 103 A A T 3 S+ 0 0 5 -24,-0.0 2,-0.5 -12,-0.0 -11,-0.4 0.511 87.6 81.1 -92.2 -8.9 39.4 15.5 15.1 96 104 A V < - 0 0 15 -3,-2.3 -11,-0.2 1,-0.1 -3,-0.1 -0.863 69.1-153.2-101.3 129.6 37.5 18.3 16.7 97 105 A V S S- 0 0 29 -13,-2.3 2,-0.3 -2,-0.5 -12,-0.2 0.929 70.4 -26.0 -66.4 -47.6 34.6 17.4 19.0 98 106 A S E -d 85 0A 2 -14,-0.8 -12,-2.3 2,-0.0 2,-0.5 -0.986 50.8-127.3-165.7 157.3 32.6 20.6 18.4 99 107 A S E -de 86 265A 5 165,-2.2 167,-2.3 -2,-0.3 2,-0.6 -0.950 18.1-164.7-113.4 128.3 32.8 24.3 17.5 100 108 A I E +de 87 266A 0 -14,-3.3 -12,-2.6 -2,-0.5 2,-0.2 -0.963 32.6 130.8-115.6 115.2 31.2 26.8 19.8 101 109 A T E - e 0 267A 5 165,-2.0 167,-2.5 -2,-0.6 2,-0.1 -0.851 59.4 -83.0-148.5 179.6 30.7 30.3 18.2 102 110 A S E - e 0 268A 0 -14,-0.4 2,-1.7 165,-0.3 167,-0.1 -0.444 55.8 -97.0 -81.6 168.1 28.2 33.0 17.6 103 111 A N > - 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