==== 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 3HOL . COMPND 2 MOLECULE: TBPB; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOBACILLUS PLEUROPNEUMONIAE; . AUTHOR T.F.MORAES,R.H.YU,A.B.SCHRYVERS,N.C.J.STRYNADKA . 505 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 64.4 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 . 225 44.6 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 38 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 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 . 7 1 5 3 3 4 7 4 1 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 . 4 1 0 1 1 0 0 0 0 1 1 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 24 A E 0 0 149 0, 0.0 503,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -56.5 49.4 61.5 -14.0 2 25 A E + 0 0 120 501,-0.0 503,-0.5 2,-0.0 2,-0.3 -0.971 360.0 31.8-110.9 9.4 47.8 63.4 -12.5 3 26 A Y E -A 504 0A 81 501,-0.2 2,-0.3 502,-0.1 501,-0.2 -0.848 52.9-171.5-121.4 154.1 47.0 61.8 -9.1 4 27 A K E -A 503 0A 99 499,-2.1 499,-3.1 -2,-0.3 3,-0.1 -0.992 39.4 -84.5-143.5 150.9 48.9 59.4 -6.8 5 28 A D E -A 502 0A 45 -2,-0.3 497,-0.3 497,-0.2 2,-0.1 -0.258 51.2-111.2 -47.9 132.4 48.1 57.4 -3.7 6 29 A V - 0 0 35 495,-2.3 2,-0.5 472,-0.2 -1,-0.1 -0.452 34.1-110.6 -61.0 139.2 48.5 59.5 -0.6 7 30 A E + 0 0 182 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.673 46.9 174.9 -76.6 125.8 51.5 58.3 1.5 8 31 A T - 0 0 44 -2,-0.5 3,-0.1 -3,-0.0 -3,-0.0 -0.988 37.8 -97.4-136.3 139.1 50.2 56.8 4.7 9 32 A A - 0 0 82 -2,-0.4 2,-0.1 1,-0.1 3,-0.1 -0.208 48.5-110.7 -45.3 140.0 51.8 55.0 7.6 10 33 A K - 0 0 155 1,-0.1 2,-0.2 323,-0.0 -1,-0.1 -0.522 39.7 -90.5 -78.2 152.4 51.5 51.3 7.2 11 34 A K - 0 0 57 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.438 48.1-110.6 -60.8 128.4 49.3 49.4 9.6 12 35 A E - 0 0 168 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.471 34.6-124.1 -65.9 115.7 51.4 48.3 12.5 13 36 A K - 0 0 193 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.321 31.5-161.2 -59.7 144.4 51.7 44.6 12.3 14 37 A E - 0 0 133 -3,-0.0 2,-0.4 2,-0.0 -1,-0.0 -0.946 18.6-163.3-129.8 147.6 50.6 42.8 15.4 15 38 A Q - 0 0 194 -2,-0.3 2,-0.2 0, 0.0 3,-0.1 -0.971 18.5-149.9-127.5 114.0 51.1 39.4 16.9 16 39 A L - 0 0 50 -2,-0.4 5,-0.1 1,-0.1 -2,-0.0 -0.604 30.4 -97.1 -77.4 146.3 48.6 38.5 19.6 17 40 A G > - 0 0 42 -2,-0.2 3,-2.2 3,-0.1 4,-0.2 -0.113 40.4 -98.3 -56.1 159.5 49.8 36.1 22.3 18 41 A E T 3 S+ 0 0 178 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.794 125.9 42.3 -53.3 -31.6 48.9 32.4 22.0 19 42 A L T 3 S+ 0 0 51 1,-0.2 -1,-0.3 228,-0.0 -2,-0.1 0.395 105.0 69.6 -94.5 4.5 46.0 32.7 24.4 20 43 A M < + 0 0 28 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.288 62.5 119.2-113.2 6.9 44.8 36.0 22.9 21 44 A E - 0 0 71 -3,-0.4 2,-0.1 -4,-0.2 210,-0.0 -0.571 64.7-118.4 -74.0 137.3 43.5 35.0 19.4 22 45 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.436 42.9 159.7 -72.3 147.9 39.8 35.8 18.8 23 46 A A - 0 0 5 -2,-0.1 26,-0.1 1,-0.1 3,-0.1 -0.968 55.6-103.7-155.9 166.5 37.4 33.0 18.1 24 47 A L S S- 0 0 17 24,-0.5 79,-0.9 -2,-0.3 2,-0.3 0.883 97.9 -35.9 -58.7 -35.9 33.7 32.2 18.3 25 48 A G E -BC 48 102B 0 23,-1.0 23,-2.8 77,-0.2 2,-0.3 -0.975 54.1-130.9-170.9 174.6 34.5 30.3 21.4 26 49 A Y E -BC 47 101B 25 75,-1.8 75,-2.1 -2,-0.3 2,-0.3 -0.992 12.9-167.9-141.7 154.7 36.8 28.0 23.3 27 50 A V E -BC 46 100B 4 19,-2.5 19,-2.9 -2,-0.3 2,-0.4 -0.993 2.9-168.5-144.0 141.5 36.5 24.8 25.3 28 51 A V E - C 0 99B 1 71,-2.6 71,-2.2 -2,-0.3 2,-0.3 -0.983 23.2-118.7-131.3 147.1 38.9 22.9 27.6 29 52 A K E - C 0 98B 83 14,-0.4 14,-0.3 -2,-0.4 69,-0.3 -0.584 36.0-110.3 -74.9 138.5 38.9 19.4 29.2 30 53 A V - 0 0 2 67,-2.7 66,-0.4 -2,-0.3 67,-0.3 -0.595 44.3-114.9 -68.3 125.1 38.8 19.3 33.0 31 54 A P - 0 0 4 0, 0.0 123,-2.8 0, 0.0 2,-0.4 -0.380 28.5-164.1 -65.9 147.1 42.4 18.0 34.0 32 55 A V B -F 153 0C 53 121,-0.2 121,-0.2 9,-0.1 2,-0.1 -0.999 6.8-170.1-132.4 126.7 42.8 14.7 35.7 33 56 A S - 0 0 5 119,-2.8 2,-0.3 -2,-0.4 5,-0.2 -0.370 2.5-158.2-104.8-172.5 46.1 13.7 37.5 34 57 A S - 0 0 43 3,-2.1 96,-0.2 -2,-0.1 3,-0.1 -0.958 39.5 -89.9-158.8 170.1 47.4 10.4 39.0 35 58 A F S S+ 0 0 176 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.841 127.9 46.6 -54.7 -37.7 49.9 9.0 41.5 36 59 A E S S+ 0 0 151 1,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.829 126.8 26.3 -75.4 -36.9 52.6 9.0 38.8 37 60 A N S S+ 0 0 96 -3,-0.1 -3,-2.1 1,-0.1 -1,-0.3 -0.853 73.8 174.9-126.1 90.5 51.8 12.6 37.4 38 61 A K + 0 0 77 -2,-0.4 92,-3.2 -3,-0.3 2,-0.5 0.662 63.6 53.0 -79.9 -22.8 50.4 14.3 40.4 39 62 A K E +H 129 0D 101 90,-0.2 2,-0.4 91,-0.2 90,-0.2 -0.975 60.3 172.1-114.2 121.3 50.1 17.8 39.0 40 63 A V E -H 128 0D 44 88,-2.9 88,-2.6 -2,-0.5 2,-0.1 -0.981 17.3-157.0-130.7 121.6 48.2 18.2 35.7 41 64 A D - 0 0 47 -2,-0.4 2,-0.2 86,-0.2 211,-0.2 -0.338 34.3 -74.1 -94.9 170.2 47.6 21.8 34.5 42 65 A I S S+ 0 0 4 209,-2.3 2,-0.3 -2,-0.1 -1,-0.2 -0.487 71.7 147.7 -56.9 126.5 45.1 23.5 32.2 43 66 A S + 0 0 59 -14,-0.3 -14,-0.4 -2,-0.2 -3,-0.0 -0.970 34.9 43.5-155.3 167.9 46.2 22.5 28.7 44 67 A D - 0 0 126 -2,-0.3 -15,-0.3 1,-0.2 2,-0.2 0.881 62.0-172.9 62.8 44.0 44.9 21.8 25.2 45 68 A I - 0 0 45 -17,-0.1 2,-0.4 -3,-0.1 -17,-0.2 -0.506 13.1-149.1 -65.7 134.4 42.4 24.6 25.0 46 69 A E E -B 27 0B 81 -19,-2.9 -19,-2.5 -2,-0.2 2,-0.2 -0.886 8.0-120.7-118.4 140.5 40.4 24.1 21.8 47 70 A V E -B 26 0B 87 -2,-0.4 2,-0.5 -21,-0.2 -21,-0.3 -0.469 20.1-140.7 -72.2 142.6 38.8 26.6 19.4 48 71 A I E +B 25 0B 15 -23,-2.8 -23,-1.0 -2,-0.2 -24,-0.5 -0.938 22.0 175.0-102.4 131.7 35.1 26.4 18.8 49 72 A T + 0 0 88 -2,-0.5 2,-0.6 -25,-0.2 -1,-0.1 0.414 58.9 86.4-110.1 -5.6 33.9 27.1 15.2 50 73 A N - 0 0 68 1,-0.1 53,-0.1 2,-0.1 -1,-0.0 -0.903 52.1-174.4-101.6 112.8 30.1 26.3 15.8 51 74 A G + 0 0 13 -2,-0.6 2,-0.6 51,-0.1 -1,-0.1 0.306 43.8 123.0 -86.5 6.7 28.2 29.4 17.0 52 75 A N > - 0 0 71 1,-0.2 3,-1.2 51,-0.1 -2,-0.1 -0.607 51.9-155.2 -76.8 119.4 24.9 27.5 17.6 53 76 A L T 3 S+ 0 0 11 -2,-0.6 -1,-0.2 1,-0.3 26,-0.0 0.659 88.6 62.6 -69.6 -18.0 23.9 28.0 21.2 54 77 A D T 3 S+ 0 0 110 1,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.651 89.3 77.9 -82.9 -17.7 21.9 24.8 21.3 55 78 A D < - 0 0 74 -3,-1.2 -1,-0.1 -5,-0.0 -5,-0.1 -0.848 68.5-162.3 -94.2 112.1 25.0 22.7 20.6 56 79 A V > - 0 0 14 -2,-0.8 3,-1.6 1,-0.1 -2,-0.0 -0.701 33.9 -97.4 -87.5 138.4 27.1 22.2 23.7 57 80 A P T 3 S+ 0 0 18 0, 0.0 41,-0.1 0, 0.0 -1,-0.1 -0.280 105.2 5.1 -53.5 138.0 30.7 21.1 23.1 58 81 A Y T 3> S+ 0 0 75 1,-0.1 4,-1.5 3,-0.1 3,-0.3 0.675 79.0 148.9 62.7 20.0 31.1 17.3 23.6 59 82 A K H <> S+ 0 0 127 -3,-1.6 4,-0.6 1,-0.2 3,-0.3 0.878 70.5 54.0 -47.3 -45.2 27.4 16.7 24.1 60 83 A A H >4 S+ 0 0 78 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.904 104.5 54.6 -61.1 -42.5 27.7 13.2 22.5 61 84 A N H >4 S+ 0 0 58 -3,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.844 98.8 64.8 -54.4 -39.2 30.5 12.2 25.0 62 85 A S H >< S+ 0 0 2 -4,-1.5 3,-1.7 -3,-0.3 -1,-0.2 0.680 80.9 76.6 -67.8 -20.0 28.2 13.1 27.9 63 86 A S T << S+ 0 0 91 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.715 94.8 52.7 -58.7 -22.7 25.7 10.4 27.1 64 87 A K T < S+ 0 0 170 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.417 86.0 111.9 -92.5 -2.4 28.2 7.9 28.7 65 88 A Y S < S- 0 0 18 -3,-1.7 25,-0.1 -4,-0.1 31,-0.1 -0.420 75.2-124.5 -73.2 150.1 28.6 9.9 31.9 66 89 A N S S+ 0 0 95 1,-0.3 -1,-0.1 23,-0.1 24,-0.1 0.905 105.9 5.8 -56.8 -44.9 27.3 8.5 35.2 67 90 A Y S S- 0 0 132 2,-0.0 21,-3.1 -5,-0.0 -1,-0.3 -0.802 85.1-145.1-139.6 92.8 25.2 11.6 35.8 68 91 A P E -D 87 0B 63 0, 0.0 2,-0.5 0, 0.0 19,-0.2 -0.419 18.8-175.2 -64.3 128.1 25.4 13.9 32.8 69 92 A D E +D 86 0B 48 17,-3.0 17,-2.3 -2,-0.2 2,-0.5 -0.846 7.4 174.3-130.9 95.7 25.3 17.5 34.0 70 93 A I E -D 85 0B 41 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.888 40.9-111.9-100.3 123.4 25.1 20.1 31.2 71 94 A K - 0 0 43 13,-2.4 -2,-0.0 -2,-0.5 87,-0.0 -0.369 43.3-102.2 -62.6 135.8 24.7 23.6 32.6 72 95 A T - 0 0 119 1,-0.1 2,-0.5 11,-0.0 -1,-0.1 -0.060 31.8-107.7 -58.4 153.5 21.2 24.8 31.7 73 96 A K - 0 0 68 -3,-0.1 2,-0.7 8,-0.1 -1,-0.1 -0.752 25.9-130.7 -86.1 124.8 20.7 27.3 28.8 74 97 A D > - 0 0 85 -2,-0.5 3,-1.8 1,-0.1 -1,-0.0 -0.692 13.6-151.2 -76.8 114.2 19.8 30.8 30.0 75 98 A S T 3 S+ 0 0 116 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.650 90.2 62.1 -66.4 -15.7 16.7 31.7 27.8 76 99 A S T 3 S+ 0 0 64 2,-0.0 2,-0.6 184,-0.0 -1,-0.3 0.569 84.5 89.6 -83.0 -12.8 17.4 35.5 27.9 77 100 A L < + 0 0 18 -3,-1.8 183,-0.0 1,-0.1 164,-0.0 -0.807 46.7 171.2 -90.1 119.1 20.8 35.1 26.1 78 101 A Q S S+ 0 0 116 -2,-0.6 -25,-0.2 1,-0.0 -1,-0.1 0.680 75.6 22.6 -96.9 -22.7 20.4 35.3 22.4 79 102 A Y S S+ 0 0 45 156,-0.1 25,-2.3 1,-0.1 2,-0.3 0.529 115.1 46.6-127.6 -12.6 24.0 35.4 21.1 80 103 A V E - E 0 103B 1 23,-0.2 2,-0.3 155,-0.1 23,-0.3 -0.916 47.8-179.2-132.9 160.9 26.3 33.8 23.8 81 104 A R E + E 0 102B 21 21,-2.7 21,-2.5 -2,-0.3 2,-0.3 -0.898 3.9 173.6-156.2 133.9 26.5 30.8 26.1 82 105 A S E + E 0 101B 7 -2,-0.3 2,-0.3 19,-0.3 19,-0.2 -0.926 28.3 95.4-131.5 161.3 29.1 29.7 28.7 83 106 A G E - E 0 100B 0 17,-2.2 17,-1.9 -2,-0.3 2,-0.3 -0.983 58.3 -74.3 161.1-147.6 29.0 26.7 31.2 84 107 A Y E - E 0 99B 31 -2,-0.3 -13,-2.4 15,-0.2 2,-0.4 -0.945 9.9-151.1-146.2 164.0 30.1 23.2 31.6 85 108 A V E +DE 70 98B 0 13,-2.4 13,-2.5 -2,-0.3 2,-0.3 -0.931 44.9 151.5-137.1 101.3 29.4 19.6 30.4 86 109 A I E -DE 69 97B 0 -17,-2.3 -17,-3.0 -2,-0.4 2,-0.8 -0.897 53.6-108.9-135.1 163.7 30.4 17.3 33.3 87 110 A D E > -D 68 0B 2 9,-2.5 3,-0.8 -2,-0.3 -2,-0.0 -0.879 26.1-164.2 -86.7 113.3 29.8 14.0 35.0 88 111 A G T 3 S+ 0 0 22 -21,-3.1 -1,-0.1 -2,-0.8 8,-0.0 0.465 90.6 42.0 -78.9 -0.8 28.2 15.0 38.3 89 112 A E T 3 S+ 0 0 117 -22,-0.3 -1,-0.3 7,-0.1 -23,-0.1 -0.398 87.7 178.8-135.3 56.9 28.8 11.5 39.7 90 113 A H < + 0 0 34 -3,-0.8 2,-0.3 -23,-0.1 6,-0.1 -0.337 5.5 162.5 -69.6 139.2 32.3 11.2 38.4 91 114 A S > - 0 0 84 4,-0.2 3,-0.7 -2,-0.1 -25,-0.1 -0.983 40.3 -4.5-155.8 143.1 34.2 7.9 39.2 92 115 A G T 3 S- 0 0 40 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.153 106.5 -38.4 74.2-160.4 37.3 6.1 37.9 93 116 A S T 3 S+ 0 0 115 -3,-0.0 -1,-0.2 2,-0.0 3,-0.1 0.453 97.3 114.4 -87.6 -0.5 39.4 6.9 34.9 94 117 A N S < S- 0 0 103 -3,-0.7 2,-0.0 1,-0.1 -29,-0.0 -0.215 80.5 -83.6 -64.2 163.6 36.5 8.1 32.6 95 118 A E - 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