==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-APR-07 2PFU . COMPND 2 MOLECULE: BIOPOLYMER TRANSPORT EXBD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GARCIA-HERRERO,S.R.PEACOCK,P.S.HOWARD,H.J.VOGEL . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 7.1 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 11 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 18.2 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 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 43 A M 0 0 240 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.9 2.1 -0.0 -1.2 2 44 A D + 0 0 151 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.950 360.0 162.7-161.1 138.1 5.1 2.3 -1.4 3 45 A V - 0 0 126 -2,-0.3 2,-0.9 2,-0.0 0, 0.0 -0.962 32.5-130.2-159.8 139.8 8.5 2.3 -3.1 4 46 A K - 0 0 209 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.809 32.7-174.4 -96.6 103.7 11.2 4.8 -4.0 5 47 A V - 0 0 118 -2,-0.9 2,-0.3 2,-0.0 -2,-0.0 -0.562 4.0-160.8 -95.0 160.5 12.2 4.4 -7.6 6 48 A N - 0 0 150 -2,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.913 19.7-138.6-137.5 163.9 15.1 6.2 -9.4 7 49 A L - 0 0 150 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.607 28.1-175.5-125.3 71.3 16.1 6.9 -13.0 8 50 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.451 18.7 141.7 -69.8 135.2 19.9 6.4 -13.2 9 51 A A + 0 0 81 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.933 19.7 177.3-171.9 148.3 21.6 7.3 -16.5 10 52 A S - 0 0 116 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.991 7.5-167.3-157.0 152.1 24.7 8.9 -17.9 11 53 A T - 0 0 133 -2,-0.3 2,-0.7 2,-0.0 -2,-0.0 -0.944 10.3-153.0-148.8 123.0 26.4 9.6 -21.2 12 54 A S + 0 0 135 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.847 26.2 170.7-100.3 109.3 30.0 10.7 -22.0 13 55 A T - 0 0 120 -2,-0.7 -2,-0.0 1,-0.1 0, 0.0 -0.792 33.1 -99.9-116.7 159.7 30.3 12.6 -25.2 14 56 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.136 21.9-161.4 -69.8 169.3 33.1 14.6 -26.8 15 57 A Q - 0 0 163 2,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.419 12.5-175.5-155.7 70.1 33.5 18.4 -26.7 16 58 A P - 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.350 16.1-150.7 -69.8 148.7 35.8 19.8 -29.4 17 59 A R + 0 0 230 -2,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.638 25.1 176.5-123.1 73.2 36.6 23.5 -29.4 18 60 A P - 0 0 105 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.119 26.1-119.4 -69.7 170.8 37.3 24.4 -33.1 19 61 A E + 0 0 185 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.964 36.5 162.0-120.5 130.1 38.1 27.9 -34.4 20 62 A K - 0 0 179 -2,-0.4 2,-0.0 1,-0.0 0, 0.0 -0.953 38.8 -91.8-142.3 160.7 36.0 29.8 -36.9 21 63 A P - 0 0 111 0, 0.0 2,-0.6 0, 0.0 39,-0.1 -0.253 42.5-106.9 -69.7 158.6 35.4 33.3 -38.2 22 64 A V + 0 0 31 37,-0.4 39,-1.8 12,-0.0 2,-0.4 -0.795 39.3 177.9 -93.2 120.5 32.8 35.7 -36.8 23 65 A Y E -a 61 0A 81 -2,-0.6 12,-0.5 37,-0.2 2,-0.3 -0.980 11.4-158.0-127.2 123.4 29.8 36.2 -39.0 24 66 A L E -a 62 0A 9 37,-2.9 39,-1.5 -2,-0.4 2,-0.3 -0.738 9.0-176.3 -99.8 147.4 26.8 38.4 -38.0 25 67 A S E -a 63 0A 36 -2,-0.3 8,-2.7 37,-0.1 2,-0.3 -0.937 0.7-177.4-147.6 120.1 23.3 38.1 -39.6 26 68 A V E +aB 64 32A 11 37,-2.3 39,-1.2 -2,-0.3 2,-0.3 -0.847 5.6 171.7-117.4 153.9 20.2 40.2 -38.9 27 69 A K E > + B 0 31A 100 4,-2.3 4,-1.5 -2,-0.3 3,-0.2 -0.883 41.4 22.2-148.0 177.8 16.7 40.0 -40.2 28 70 A A T 4 S- 0 0 45 -2,-0.3 3,-0.3 1,-0.2 37,-0.1 0.052 117.5 -35.9 51.5-167.7 13.2 41.5 -39.8 29 71 A D T 4 S- 0 0 128 1,-0.2 40,-0.4 39,-0.1 -1,-0.2 0.870 133.0 -26.5 -50.8 -40.5 12.8 44.9 -38.2 30 72 A N T 4 S+ 0 0 38 -3,-0.2 2,-0.4 38,-0.1 11,-0.3 -0.342 86.3 138.6 179.8 89.2 15.7 44.1 -35.9 31 73 A S E < -B 27 0A 39 -4,-1.5 -4,-2.3 -3,-0.3 2,-0.4 -0.970 34.2-146.9-145.4 125.6 16.6 40.5 -34.9 32 74 A M E +BC 26 39A 5 7,-0.5 7,-1.6 -2,-0.4 2,-0.3 -0.739 17.5 175.3 -93.9 138.1 20.0 38.9 -34.6 33 75 A F E - C 0 38A 112 -8,-2.7 2,-0.1 -2,-0.4 3,-0.1 -0.763 8.5-168.7-145.8 94.9 20.6 35.3 -35.5 34 76 A I E > - C 0 37A 33 3,-1.6 3,-3.0 -2,-0.3 2,-0.6 -0.397 49.4 -69.7 -80.6 159.8 24.1 33.8 -35.4 35 77 A G T 3 S- 0 0 65 -12,-0.5 -1,-0.2 1,-0.3 -12,-0.0 -0.282 117.4 -24.0 -52.1 100.8 25.0 30.4 -36.8 36 78 A N T 3 S+ 0 0 157 -2,-0.6 -1,-0.3 -3,-0.1 -2,-0.0 0.743 129.6 93.0 64.2 22.6 23.3 28.1 -34.3 37 79 A D E < -C 34 0A 67 -3,-3.0 -3,-1.6 2,-0.0 -2,-0.1 -0.551 59.1-170.6-147.7 75.7 23.5 31.0 -31.8 38 80 A P E +C 33 0A 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.398 14.7 164.3 -69.8 142.7 20.4 33.2 -31.8 39 81 A V E -C 32 0A 30 -7,-1.6 -7,-0.5 -2,-0.1 2,-0.2 -0.865 26.7-119.4-147.3 179.9 20.4 36.5 -29.9 40 82 A T - 0 0 81 -2,-0.3 4,-0.3 -9,-0.1 7,-0.1 -0.677 34.6-101.4-121.2 176.1 18.6 39.8 -29.4 41 83 A D S S+ 0 0 55 -11,-0.3 4,-0.2 -2,-0.2 -10,-0.1 0.562 122.1 49.6 -74.0 -7.7 19.4 43.5 -29.8 42 84 A E S S+ 0 0 177 2,-0.1 3,-0.5 1,-0.1 4,-0.4 0.864 117.3 33.8 -95.5 -49.3 19.8 43.6 -26.0 43 85 A T S > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.1 5,-0.4 0.220 89.7 104.6 -91.6 14.2 22.1 40.6 -25.4 44 86 A M H > S+ 0 0 15 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.900 86.3 38.7 -60.6 -42.4 23.9 41.3 -28.6 45 87 A I H > S+ 0 0 49 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.965 118.7 45.5 -72.9 -55.3 26.9 42.8 -26.8 46 88 A T H > S+ 0 0 90 -4,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.927 117.2 45.6 -53.9 -49.7 27.0 40.4 -23.9 47 89 A A H X S+ 0 0 16 -4,-2.8 4,-1.5 2,-0.2 5,-0.2 0.919 109.8 54.7 -60.9 -45.7 26.5 37.3 -26.1 48 90 A L H X S+ 0 0 17 -4,-1.7 4,-3.3 -5,-0.4 6,-0.4 0.910 111.1 44.8 -54.8 -45.6 29.1 38.6 -28.6 49 91 A N H < S+ 0 0 60 -4,-2.5 5,-0.5 1,-0.2 4,-0.3 0.811 109.8 56.4 -69.2 -30.3 31.7 38.9 -25.8 50 92 A A H < S+ 0 0 86 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.740 117.3 34.9 -72.8 -23.3 30.7 35.5 -24.5 51 93 A L H < S+ 0 0 99 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.2 0.850 126.6 36.1 -96.1 -46.4 31.4 34.0 -27.9 52 94 A T S < S- 0 0 22 -4,-3.3 3,-0.4 -5,-0.2 -2,-0.2 0.201 108.0-118.9 -92.2 15.4 34.4 36.0 -29.0 53 95 A E S S- 0 0 161 -4,-0.3 -3,-0.2 1,-0.2 -4,-0.2 0.803 72.3 -57.8 51.7 30.3 35.7 36.2 -25.4 54 96 A G S S+ 0 0 30 -5,-0.5 2,-0.6 -6,-0.4 -1,-0.2 0.937 94.6 152.5 67.5 47.8 35.3 39.9 -25.7 55 97 A K + 0 0 98 -3,-0.4 3,-0.4 -7,-0.3 -1,-0.2 -0.904 18.9 166.9-115.7 105.0 37.6 40.3 -28.7 56 98 A K + 0 0 39 -2,-0.6 30,-1.0 1,-0.2 31,-0.5 0.317 65.9 83.8 -95.3 6.6 36.8 43.3 -30.9 57 99 A D S S+ 0 0 116 28,-0.1 2,-0.4 29,-0.1 -1,-0.2 0.058 72.0 98.2 -96.0 24.1 40.1 43.0 -32.7 58 100 A T S S- 0 0 56 -3,-0.4 2,-1.1 29,-0.0 29,-0.2 -0.944 84.0-112.5-117.6 133.8 38.7 40.4 -35.0 59 101 A T - 0 0 95 -2,-0.4 2,-0.5 29,-0.1 -37,-0.4 -0.460 43.2-175.7 -64.6 97.9 37.4 41.0 -38.6 60 102 A I E - d 0 88A 0 27,-1.8 29,-1.0 -2,-1.1 2,-0.4 -0.855 19.7-134.5-102.9 130.7 33.7 40.4 -38.1 61 103 A F E -ad 23 89A 83 -39,-1.8 -37,-2.9 -2,-0.5 2,-0.8 -0.678 11.5-148.0 -85.2 130.8 31.4 40.5 -41.1 62 104 A F E -a 24 0A 28 27,-2.2 2,-0.7 -2,-0.4 29,-0.4 -0.847 14.7-172.9-103.1 103.2 28.1 42.4 -40.7 63 105 A R E -a 25 0A 126 -39,-1.5 -37,-2.3 -2,-0.8 2,-0.5 -0.852 3.8-174.6-100.0 111.9 25.3 40.9 -42.7 64 106 A A E -a 26 0A 52 -2,-0.7 -37,-0.1 -39,-0.2 4,-0.1 -0.910 27.9-112.3-109.9 130.0 22.1 42.9 -42.7 65 107 A D > - 0 0 63 -39,-1.2 3,-0.9 -2,-0.5 -38,-0.1 -0.042 24.9-116.7 -51.9 158.2 18.9 41.7 -44.3 66 108 A K T 3 S+ 0 0 219 1,-0.3 -1,-0.1 0, 0.0 -39,-0.1 0.532 112.2 66.4 -76.3 -5.6 17.7 43.6 -47.4 67 109 A T T 3 S+ 0 0 89 -39,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.076 75.0 127.3-105.4 32.1 14.6 44.5 -45.4 68 110 A V < - 0 0 41 -3,-0.9 2,-0.1 -4,-0.1 -39,-0.1 -0.684 50.6-136.8 -92.3 143.6 16.5 46.7 -42.9 69 111 A D > - 0 0 112 -40,-0.4 4,-1.9 -2,-0.3 5,-0.2 -0.401 22.8-111.4 -92.0 171.5 15.5 50.3 -42.2 70 112 A Y H > S+ 0 0 145 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.840 118.2 53.4 -70.7 -34.1 17.6 53.4 -41.8 71 113 A E H > S+ 0 0 130 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.834 108.1 51.3 -69.6 -33.1 16.9 53.6 -38.1 72 114 A T H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.955 111.1 44.5 -68.9 -52.1 18.0 50.0 -37.6 73 115 A L H X S+ 0 0 73 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.784 112.9 54.6 -63.4 -27.0 21.3 50.3 -39.4 74 116 A M H X S+ 0 0 89 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.802 110.6 45.0 -76.2 -30.3 21.9 53.6 -37.5 75 117 A K H X S+ 0 0 131 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.926 112.2 48.9 -78.3 -48.4 21.3 51.9 -34.1 76 118 A V H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.875 115.0 46.9 -59.0 -38.9 23.4 48.8 -34.7 77 119 A M H X S+ 0 0 92 -4,-1.4 4,-2.6 -5,-0.3 5,-0.2 0.962 113.9 44.5 -68.2 -53.5 26.3 51.1 -35.9 78 120 A D H X S+ 0 0 98 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.803 116.6 50.3 -61.2 -29.3 26.1 53.6 -33.1 79 121 A T H X S+ 0 0 51 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.949 114.7 39.4 -74.3 -51.8 25.8 50.6 -30.7 80 122 A L H < S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.789 114.2 57.8 -68.6 -27.8 28.8 48.6 -32.0 81 123 A H H >< S+ 0 0 111 -4,-2.6 3,-1.2 -5,-0.2 -1,-0.2 0.942 111.0 39.1 -67.7 -49.1 30.7 51.9 -32.4 82 124 A Q H 3< S+ 0 0 163 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.692 114.3 57.1 -74.2 -19.0 30.4 52.9 -28.7 83 125 A A T 3< S- 0 0 18 -4,-1.2 2,-0.5 1,-0.3 -1,-0.3 0.176 118.0-110.9 -96.2 16.2 30.9 49.2 -27.7 84 126 A G < + 0 0 27 -3,-1.2 -1,-0.3 1,-0.2 0, 0.0 -0.822 58.7 150.4 97.9-125.2 34.2 49.1 -29.5 85 127 A Y + 0 0 11 -2,-0.5 3,-0.2 1,-0.1 -1,-0.2 0.953 10.0 170.4 51.2 90.8 34.5 47.0 -32.7 86 128 A L + 0 0 148 -30,-1.0 2,-0.1 1,-0.2 -1,-0.1 0.291 68.7 54.9-110.5 6.1 37.1 48.7 -34.8 87 129 A K + 0 0 103 -31,-0.5 -27,-1.8 -29,-0.2 2,-0.6 -0.579 63.5 148.6-141.1 74.6 37.4 45.9 -37.4 88 130 A I E -d 60 0A 48 -29,-0.2 -27,-0.2 -3,-0.2 2,-0.2 -0.921 36.0-143.1-114.8 110.1 34.0 45.1 -38.9 89 131 A G E -d 61 0A 15 -29,-1.0 -27,-2.2 -2,-0.6 2,-1.0 -0.460 13.2-130.4 -71.9 138.8 34.1 43.9 -42.5 90 132 A L > - 0 0 107 3,-0.3 3,-1.1 -29,-0.2 -29,-0.1 -0.759 23.1-143.5 -93.4 97.0 31.2 45.0 -44.7 91 133 A V T 3 S+ 0 0 31 -2,-1.0 -27,-0.2 -29,-0.4 3,-0.0 -0.284 81.8 5.5 -59.0 139.1 29.8 41.9 -46.4 92 134 A G T 3 S+ 0 0 76 1,-0.1 -1,-0.3 -29,-0.1 2,-0.2 0.886 116.5 91.4 52.4 42.8 28.7 42.5 -50.0 93 135 A E < + 0 0 132 -3,-1.1 -3,-0.3 1,-0.0 -1,-0.1 -0.635 29.0 147.2-169.3 103.9 30.0 46.0 -49.9 94 136 A E + 0 0 193 -2,-0.2 2,-0.4 2,-0.0 -3,-0.0 -0.209 42.8 112.3-134.0 42.8 33.5 47.2 -50.9 95 137 A T - 0 0 130 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.936 46.7-154.7-121.1 142.4 32.8 50.7 -52.2 96 138 A A - 0 0 93 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.810 10.5-177.3-114.3 155.4 33.8 54.1 -50.8 97 139 A K + 0 0 203 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.994 5.9 165.9-152.1 145.2 32.3 57.5 -51.3 98 140 A A 0 0 100 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.989 360.0 360.0-158.7 151.8 33.1 61.1 -50.1 99 141 A K 0 0 264 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.946 360.0 360.0-163.5 360.0 32.1 64.7 -50.9