==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-JUN-09 3HOE . COMPND 2 MOLECULE: TBPB; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOBACILLUS PLEUROPNEUMONIAE; . AUTHOR T.F.MORAES,R.H.YU,A.B.SCHRYVERS,N.C.J.STRYNADKA . 484 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 41.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 8 1.7 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 . 39 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 . 8 2 4 0 6 0 6 7 1 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 . 2 1 0 2 0 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 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 44 A E 0 0 155 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.2 0.1 25.6 8.6 2 45 A P - 0 0 60 0, 0.0 211,-0.0 0, 0.0 0, 0.0 0.981 360.0-140.7 68.5 62.1 -1.9 27.9 10.9 3 46 A A - 0 0 20 1,-0.2 26,-0.1 26,-0.0 3,-0.1 -0.184 11.1-128.9 -52.1 140.4 -0.4 27.2 14.3 4 47 A L S S- 0 0 58 24,-0.9 79,-1.9 1,-0.2 2,-0.3 0.691 76.4 -56.0 -62.1 -18.2 -3.0 27.0 17.1 5 48 A G E -AB 28 82A 0 23,-0.5 23,-2.7 77,-0.2 2,-0.3 -0.977 52.9-102.7 164.2-175.6 -0.8 29.4 18.9 6 49 A Y E -AB 27 81A 52 75,-1.3 75,-2.2 -2,-0.3 2,-0.3 -0.923 20.3-173.7-138.1 163.3 2.6 30.2 20.3 7 50 A V E -AB 26 80A 5 19,-2.4 19,-1.8 -2,-0.3 2,-0.3 -0.961 4.4-163.5-157.7 138.0 4.4 30.3 23.6 8 51 A V E - B 0 79A 1 71,-2.7 71,-2.4 -2,-0.3 2,-0.3 -0.948 22.4-120.4-124.2 150.1 7.8 31.4 24.9 9 52 A K E - B 0 78A 89 15,-0.4 14,-0.3 14,-0.4 69,-0.3 -0.658 37.9-107.9 -80.5 140.6 9.8 30.8 28.1 10 53 A V - 0 0 0 67,-3.2 66,-0.4 -2,-0.3 67,-0.3 -0.568 42.0-108.7 -72.6 123.6 10.7 33.8 30.2 11 54 A P - 0 0 7 0, 0.0 123,-2.0 0, 0.0 2,-0.5 -0.180 29.1-156.4 -56.5 140.1 14.4 34.5 29.8 12 55 A V B -E 133 0B 37 121,-0.2 121,-0.2 9,-0.1 120,-0.1 -0.983 10.2-159.0-120.7 125.2 16.6 33.8 32.9 13 56 A S - 0 0 12 119,-2.3 2,-0.3 -2,-0.5 5,-0.2 -0.329 8.1-172.8 -95.2 179.0 19.9 35.7 33.2 14 57 A S - 0 0 40 3,-1.6 3,-0.4 1,-0.1 96,-0.1 -0.971 43.5 -97.5-162.1 164.6 23.1 35.0 35.2 15 58 A F S > S+ 0 0 149 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.915 126.7 51.7 -49.8 -45.3 26.4 36.5 36.1 16 59 A E T 3 S+ 0 0 76 1,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.853 127.0 22.4 -63.1 -36.2 27.9 34.6 33.3 17 60 A N T 3 + 0 0 32 -3,-0.4 -3,-1.6 1,-0.1 -1,-0.3 -0.734 68.0 173.3-135.7 84.9 25.3 35.8 30.9 18 61 A K S < S+ 0 0 69 -3,-0.5 92,-3.5 -2,-0.3 2,-0.5 0.748 71.0 53.5 -70.4 -24.2 23.8 39.1 32.2 19 62 A K E +F 109 0C 112 90,-0.3 2,-0.4 91,-0.1 90,-0.2 -0.956 60.5 170.1-115.8 120.6 21.8 39.6 29.0 20 63 A V E -F 108 0C 36 88,-2.5 88,-2.4 -2,-0.5 3,-0.1 -0.966 17.6-157.9-128.9 115.9 19.5 36.9 27.7 21 64 A D - 0 0 47 -2,-0.4 211,-0.2 86,-0.2 2,-0.1 -0.269 34.7 -72.7 -87.8 172.4 17.1 37.9 24.9 22 65 A I + 0 0 1 209,-2.4 2,-0.3 -11,-0.1 -1,-0.2 -0.429 65.7 155.7 -60.9 132.4 13.8 36.4 23.6 23 66 A S + 0 0 56 -14,-0.3 -14,-0.4 1,-0.2 -3,-0.0 -0.989 36.4 32.5-159.3 153.5 14.4 33.1 21.8 24 67 A D - 0 0 137 -2,-0.3 2,-1.2 1,-0.2 -15,-0.4 0.979 57.0-162.0 64.9 62.9 12.7 29.8 20.9 25 68 A I - 0 0 56 -17,-0.1 -17,-0.2 -3,-0.1 -1,-0.2 -0.634 15.8-148.8 -72.8 97.2 9.1 30.7 20.3 26 69 A E E -A 7 0A 86 -19,-1.8 -19,-2.4 -2,-1.2 2,-0.4 -0.423 7.0-127.4 -73.4 143.8 7.4 27.3 20.5 27 70 A V E -A 6 0A 82 -21,-0.2 2,-0.4 -2,-0.1 -21,-0.3 -0.739 24.2-127.4 -89.1 136.6 4.3 26.6 18.5 28 71 A I E -A 5 0A 13 -23,-2.7 -24,-0.9 -2,-0.4 -23,-0.5 -0.711 19.3-170.0 -88.8 132.0 1.3 25.3 20.4 29 72 A T + 0 0 125 -2,-0.4 2,-0.1 -25,-0.1 -26,-0.0 -0.984 61.2 68.9-119.4 118.0 -0.5 22.1 19.4 30 73 A N - 0 0 67 -2,-0.5 5,-0.0 7,-0.0 -2,-0.0 0.013 55.1-161.8 130.2 106.8 -3.6 21.8 21.4 31 74 A G + 0 0 17 -2,-0.1 2,-0.5 51,-0.1 51,-0.0 0.486 49.5 124.1 -94.6 -4.9 -6.5 24.2 20.9 32 75 A N > - 0 0 78 1,-0.2 3,-2.0 2,-0.1 51,-0.0 -0.432 49.1-157.7 -65.5 111.1 -8.3 23.5 24.2 33 76 A L T 3 S+ 0 0 16 -2,-0.5 -1,-0.2 1,-0.3 26,-0.0 0.557 89.6 62.9 -68.2 -9.4 -8.6 26.9 25.8 34 77 A D T 3 S+ 0 0 107 2,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.442 90.2 85.0 -93.0 -1.3 -9.0 25.3 29.3 35 78 A D < - 0 0 69 -3,-2.0 -1,-0.0 -5,-0.0 0, 0.0 -0.900 67.9-157.8-104.8 119.4 -5.5 23.9 28.8 36 79 A V > - 0 0 20 -2,-0.6 3,-1.2 1,-0.1 2,-0.1 -0.752 27.2-107.0 -96.8 138.4 -2.6 26.2 29.8 37 80 A P T 3 S+ 0 0 17 0, 0.0 41,-0.1 0, 0.0 -1,-0.1 -0.402 98.2 4.8 -66.4 139.7 0.8 25.5 28.2 38 81 A Y T >> S+ 0 0 82 1,-0.1 3,-0.9 -2,-0.1 4,-0.6 0.764 79.2 151.2 60.8 26.8 3.5 24.1 30.5 39 82 A K G X4 + 0 0 126 -3,-1.2 3,-0.9 1,-0.3 4,-0.3 0.839 65.3 62.1 -57.6 -32.9 0.9 23.8 33.3 40 83 A A G >4 S+ 0 0 78 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.841 97.6 55.4 -64.4 -34.3 2.9 20.8 34.6 41 84 A N G X4 S+ 0 0 58 -3,-0.9 3,-0.8 1,-0.2 -1,-0.2 0.727 97.2 65.9 -69.3 -20.2 6.0 22.9 35.3 42 85 A S G X< S+ 0 0 3 -3,-0.9 3,-0.9 -4,-0.6 -1,-0.2 0.500 76.1 84.6 -86.9 -7.8 4.1 25.3 37.4 43 86 A S G < S+ 0 0 70 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.870 90.7 50.9 -54.8 -39.0 3.4 22.8 40.1 44 87 A K G < S+ 0 0 177 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.587 85.5 115.7 -79.8 -12.0 6.8 23.6 41.6 45 88 A Y < - 0 0 20 -3,-0.9 25,-0.1 -4,-0.1 31,-0.1 -0.236 68.4-133.6 -67.5 149.7 6.2 27.3 41.7 46 89 A N S S+ 0 0 100 23,-0.3 -1,-0.1 1,-0.3 24,-0.1 0.854 102.8 13.5 -70.6 -35.1 6.1 29.1 45.0 47 90 A Y S S- 0 0 126 2,-0.0 21,-3.5 22,-0.0 2,-0.4 -0.707 83.0-145.0-142.8 88.0 3.0 31.0 43.9 48 91 A P E -C 67 0A 66 0, 0.0 2,-0.7 0, 0.0 19,-0.2 -0.326 20.4-173.7 -55.5 108.8 1.5 29.5 40.7 49 92 A D E +C 66 0A 35 17,-3.6 17,-2.7 -2,-0.4 2,-0.6 -0.882 9.5 170.6-114.0 103.9 0.2 32.6 38.8 50 93 A I E -C 65 0A 45 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.950 41.2-111.8-116.2 114.1 -1.8 31.6 35.8 51 94 A K - 0 0 39 13,-1.9 87,-0.0 -2,-0.6 -2,-0.0 -0.124 42.2-107.4 -49.2 136.9 -3.7 34.5 34.1 52 95 A T - 0 0 119 1,-0.1 2,-0.5 11,-0.0 -1,-0.1 -0.264 29.9-107.5 -72.8 154.6 -7.4 34.0 34.6 53 96 A K - 0 0 80 -3,-0.1 2,-0.6 8,-0.1 -1,-0.1 -0.711 26.2-127.9 -89.4 123.5 -9.7 33.0 31.7 54 97 A D > - 0 0 89 -2,-0.5 3,-1.6 1,-0.2 -1,-0.0 -0.580 11.9-150.1 -73.6 116.2 -12.0 35.7 30.3 55 98 A S T 3 S+ 0 0 120 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.692 90.7 62.4 -59.1 -23.5 -15.5 34.2 30.3 56 99 A S T 3 S+ 0 0 63 2,-0.0 2,-0.3 184,-0.0 -1,-0.3 0.611 85.8 84.5 -84.0 -14.8 -16.6 36.3 27.3 57 100 A L < + 0 0 22 -3,-1.6 183,-0.1 1,-0.1 164,-0.0 -0.708 45.7 171.9 -88.8 142.8 -14.1 34.8 24.8 58 101 A Q S S+ 0 0 112 -2,-0.3 -25,-0.1 3,-0.0 -1,-0.1 0.564 75.7 28.9-121.8 -19.3 -15.0 31.6 23.1 59 102 A Y S S+ 0 0 51 156,-0.1 25,-2.6 1,-0.1 2,-0.3 0.534 113.4 44.7-123.1 -10.8 -12.3 30.9 20.5 60 103 A V E - D 0 83A 3 23,-0.3 2,-0.3 155,-0.1 23,-0.3 -0.910 48.1-174.6-135.9 163.7 -9.1 32.5 21.8 61 104 A R E + D 0 82A 25 21,-2.6 21,-2.6 -2,-0.3 2,-0.3 -0.916 2.9 177.3-157.4 130.9 -6.9 32.9 24.9 62 105 A S E + D 0 81A 8 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.965 30.3 105.1-126.5 149.0 -3.8 34.9 25.7 63 106 A G E - D 0 80A 0 17,-1.9 17,-1.6 -2,-0.3 2,-0.3 -0.948 53.2 -85.2 177.2-153.9 -2.0 35.0 29.1 64 107 A Y E - D 0 79A 33 -2,-0.3 -13,-1.9 15,-0.2 2,-0.4 -0.979 9.5-150.8-143.2 153.4 0.9 33.9 31.1 65 108 A V E +CD 50 78A 0 13,-3.0 13,-2.5 -2,-0.3 2,-0.3 -0.894 45.3 141.2-123.9 101.8 2.0 31.0 33.3 66 109 A I E -CD 49 77A 0 -17,-2.7 -17,-3.6 -2,-0.4 2,-0.6 -0.872 57.1-101.6-137.4 166.5 4.4 32.2 35.9 67 110 A D E -C 48 0A 2 9,-2.2 3,-0.5 -2,-0.3 -2,-0.0 -0.820 24.4-159.7 -85.3 121.8 5.7 32.1 39.5 68 111 A G S S+ 0 0 17 -21,-3.5 2,-0.2 -2,-0.6 -1,-0.1 0.579 91.6 43.4 -78.2 -11.6 4.2 35.0 41.3 69 112 A E S S+ 0 0 128 -22,-0.2 -23,-0.3 7,-0.1 -1,-0.3 -0.634 83.4 163.6-131.3 71.2 7.0 34.6 44.0 70 113 A H + 0 0 29 -3,-0.5 2,-0.3 -2,-0.2 6,-0.1 -0.417 10.0 179.5 -85.3 162.6 10.1 34.0 41.9 71 114 A S > - 0 0 67 4,-0.2 3,-1.9 -2,-0.1 2,-0.1 -0.947 41.5 -24.8-161.6 151.5 13.6 34.3 43.1 72 115 A G T 3 S- 0 0 33 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.302 119.8 -17.1 62.7-121.0 17.3 33.9 42.2 73 116 A S T 3 S+ 0 0 100 -2,-0.1 -1,-0.3 -61,-0.1 3,-0.1 0.103 94.0 133.9-109.7 20.7 17.8 31.5 39.3 74 117 A N < - 0 0 63 -3,-1.9 2,-0.1 1,-0.1 -4,-0.0 -0.272 69.5 -95.9 -64.3 155.7 14.4 29.7 39.3 75 118 A E - 0 0 61 1,-0.1 -4,-0.2 -63,-0.0 -1,-0.1 -0.439 37.3-160.0 -59.6 148.2 12.6 29.2 36.1 76 119 A K - 0 0 2 -66,-0.4 -9,-2.2 1,-0.3 2,-0.3 0.768 34.0-109.2-103.8 -37.8 10.0 32.1 35.9 77 120 A G E - D 0 66A 0 -67,-0.3 -67,-3.2 -11,-0.2 2,-0.3 -0.972 28.7 -70.3 143.1-158.5 7.4 30.9 33.5 78 121 A Y E -BD 9 65A 11 -13,-2.5 -13,-3.0 -2,-0.3 2,-0.4 -0.933 17.8-148.4-141.7 155.5 5.9 31.2 30.0 79 122 A V E +BD 8 64A 0 -71,-2.4 -71,-2.7 -2,-0.3 2,-0.3 -0.989 32.4 151.1-127.7 142.5 3.8 33.5 27.8 80 123 A Y E -BD 7 63A 0 -17,-1.6 -17,-1.9 -2,-0.4 2,-0.3 -0.964 29.3-153.9-155.9 165.2 1.4 32.3 25.1 81 124 A Y E +BD 6 62A 0 -75,-2.2 -75,-1.3 -2,-0.3 2,-0.3 -0.977 15.3 175.3-141.2 159.3 -1.7 32.7 23.0 82 125 A K E +BD 5 61A 2 -21,-2.6 -21,-2.6 -2,-0.3 2,-0.3 -0.964 2.4 172.3-149.5 168.9 -3.9 30.3 21.2 83 126 A G E - D 0 60A 1 -79,-1.9 2,-0.3 -2,-0.3 -23,-0.3 -0.961 10.6-156.8-167.7 157.7 -7.1 30.3 19.3 84 127 A N + 0 0 46 -25,-2.6 132,-0.5 -2,-0.3 3,-0.1 -0.918 62.6 51.4-139.3 171.3 -9.2 27.9 17.2 85 128 A S S S- 0 0 45 -2,-0.3 131,-2.3 130,-0.2 -1,-0.2 0.987 73.4-141.6 66.3 60.7 -11.8 28.0 14.5 86 129 A P B -G 215 0D 57 0, 0.0 129,-0.3 0, 0.0 -1,-0.1 -0.327 37.6 -90.6 -51.6 131.1 -9.9 30.3 12.1 87 130 A A + 0 0 5 127,-2.1 131,-0.2 94,-0.3 127,-0.1 -0.144 43.4 179.8 -59.0 136.7 -12.5 32.5 10.6 88 131 A K S S+ 0 0 202 129,-1.4 2,-0.4 1,-0.2 130,-0.2 0.779 74.0 41.9-102.2 -40.8 -14.3 31.3 7.4 89 132 A E S S- 0 0 115 128,-2.4 -1,-0.2 127,-0.1 3,-0.0 -0.880 72.0-160.2-100.0 142.6 -16.7 34.3 6.9 90 133 A L - 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