==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 14-MAR-06 2GCX . COMPND 2 MOLECULE: FERROUS IRON TRANSPORT PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.-W.HUNG,C.-C.CHENG,T.-H.YU,S.-H.WANG,C.-F.CHANG,S.-F.TSAI, . 75 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 60.0 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 . 20 26.7 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 . 1 1.3 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 . 1 1.3 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 . 9 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 1 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 . 0 1 0 2 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 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 1 A M 0 0 216 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.1 0.6 13.1 -4.3 2 2 A Q - 0 0 134 1,-0.0 2,-0.6 40,-0.0 40,-0.0 -0.413 360.0-120.9 -85.9 164.0 1.1 12.4 -0.5 3 3 A F - 0 0 46 40,-0.1 -1,-0.0 -2,-0.1 38,-0.0 -0.915 32.2-178.7-111.4 110.7 -0.1 9.4 1.4 4 4 A T > - 0 0 67 -2,-0.6 2,-1.7 37,-0.1 3,-1.2 -0.805 39.1-102.6-108.9 150.1 -2.4 10.2 4.3 5 5 A P T 3 S+ 0 0 61 0, 0.0 35,-0.1 0, 0.0 3,-0.1 -0.495 108.6 49.9 -71.5 85.6 -4.1 7.7 6.8 6 6 A D T 3 S+ 0 0 122 -2,-1.7 2,-0.1 1,-0.5 34,-0.0 0.099 88.1 80.9 177.6 -39.8 -7.6 7.6 5.3 7 7 A S S < S- 0 0 35 -3,-1.2 32,-1.1 1,-0.1 -1,-0.5 -0.401 71.4-121.4 -84.8 164.3 -7.4 6.9 1.6 8 8 A A E +A 38 0A 16 30,-0.2 65,-0.6 -2,-0.1 2,-0.3 -0.605 28.1 177.9-103.7 165.4 -6.9 3.5 -0.0 9 9 A W E -AB 37 72A 33 28,-2.4 28,-2.8 63,-0.2 2,-0.4 -0.936 23.7-117.5-155.1 174.5 -4.2 2.3 -2.4 10 10 A K E -AB 36 71A 65 61,-0.7 61,-1.6 -2,-0.3 2,-0.4 -0.984 26.0-120.5-127.6 134.3 -3.0 -0.8 -4.3 11 11 A I E +AB 35 70A 10 24,-0.7 23,-4.0 -2,-0.4 24,-1.6 -0.562 37.4 161.2 -74.5 126.1 0.3 -2.7 -3.9 12 12 A T E - B 0 69A 22 57,-2.4 57,-1.4 -2,-0.4 2,-1.0 -0.273 14.1-174.5-139.7 48.1 2.4 -2.7 -7.1 13 13 A G + 0 0 3 55,-0.3 2,-0.3 1,-0.1 55,-0.2 -0.250 31.4 136.5 -50.7 91.8 5.9 -3.6 -5.9 14 14 A F + 0 0 138 -2,-1.0 2,-0.1 53,-0.3 -1,-0.1 -0.775 20.4 161.0-147.2 97.0 7.7 -3.2 -9.2 15 15 A S - 0 0 11 -2,-0.3 52,-0.1 54,-0.1 53,-0.1 -0.406 50.3-108.3-105.8-175.8 11.1 -1.4 -9.3 16 16 A R S S+ 0 0 219 -2,-0.1 -1,-0.0 1,-0.1 51,-0.0 0.694 117.0 8.6 -86.3 -21.7 13.9 -1.3 -11.8 17 17 A D S S+ 0 0 129 2,-0.0 -1,-0.1 50,-0.0 50,-0.0 0.039 82.4 172.8-147.4 28.2 16.2 -3.3 -9.5 18 18 A I - 0 0 40 49,-0.1 -5,-0.0 1,-0.1 0, 0.0 -0.165 32.1-126.4 -46.2 122.7 14.0 -4.5 -6.7 19 19 A S >> - 0 0 43 1,-0.1 4,-1.9 4,-0.1 3,-0.7 -0.339 11.4-120.6 -72.8 155.4 16.0 -6.9 -4.5 20 20 A P H 3>>S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 5,-0.7 0.785 105.8 75.1 -66.4 -27.7 14.7 -10.4 -3.7 21 21 A A H 345S+ 0 0 63 1,-0.2 4,-0.2 2,-0.2 -3,-0.0 0.901 110.3 27.7 -50.6 -45.2 14.8 -9.5 0.0 22 22 A Y H <>5S+ 0 0 107 -3,-0.7 4,-1.8 3,-0.1 -1,-0.2 0.834 128.3 44.8 -85.8 -37.3 11.7 -7.4 -0.4 23 23 A R H X5S+ 0 0 85 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.986 114.7 44.1 -70.6 -61.3 10.3 -9.3 -3.4 24 24 A Q H <5S+ 0 0 142 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.695 112.8 59.2 -57.9 -18.6 10.7 -12.9 -2.2 25 25 A K H >4X>S+ 0 0 27 -4,-1.8 3,-2.0 1,-0.3 4,-1.5 0.804 95.4 75.1 -50.0 -30.9 6.0 -10.4 0.1 27 27 A L T 3<5S+ 0 0 92 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.830 85.9 62.6 -51.6 -34.0 5.6 -13.8 -1.5 28 28 A S T <45S+ 0 0 97 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 0.804 106.7 43.7 -62.9 -29.5 5.0 -15.2 2.0 29 29 A L T <45S- 0 0 67 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.722 107.5-127.9 -87.3 -24.4 1.9 -13.0 2.3 30 30 A G T <5 + 0 0 46 -4,-1.5 2,-0.9 1,-0.2 -3,-0.2 0.703 61.3 139.5 83.9 20.6 0.7 -13.8 -1.2 31 31 A M < + 0 0 27 -5,-1.1 -1,-0.2 4,-0.1 4,-0.1 -0.786 28.0 179.5-102.3 91.6 0.3 -10.2 -2.2 32 32 A L - 0 0 100 -2,-0.9 -21,-0.1 1,-0.2 3,-0.1 -0.489 48.6 -60.7 -88.3 160.6 1.5 -9.9 -5.8 33 33 A P S S+ 0 0 60 0, 0.0 -21,-0.3 0, 0.0 -1,-0.2 -0.127 124.1 46.1 -42.4 112.8 1.6 -6.6 -7.8 34 34 A G S S+ 0 0 60 -23,-4.0 -22,-0.2 1,-0.2 2,-0.2 0.640 79.8 134.5 119.9 30.3 -2.0 -5.6 -8.0 35 35 A S E -A 11 0A 21 -24,-1.6 -24,-0.7 -4,-0.1 2,-0.4 -0.486 49.0-119.4-102.1 174.1 -3.3 -5.9 -4.4 36 36 A S E +A 10 0A 48 -26,-0.3 2,-0.3 -2,-0.2 18,-0.3 -0.939 35.4 158.3-119.1 138.9 -5.4 -3.6 -2.2 37 37 A F E -A 9 0A 5 -28,-2.8 -28,-2.4 -2,-0.4 2,-0.3 -0.984 27.2-131.5-153.4 159.9 -4.4 -2.0 1.1 38 38 A H E -AC 8 52A 97 14,-1.2 14,-1.9 -2,-0.3 2,-0.4 -0.769 23.5-114.8-114.4 160.8 -5.2 0.9 3.4 39 39 A V E - C 0 51A 17 -32,-1.1 12,-0.2 -2,-0.3 3,-0.1 -0.801 23.3-179.6 -98.4 134.2 -3.0 3.4 5.2 40 40 A V - 0 0 59 10,-1.8 2,-0.3 -2,-0.4 -1,-0.2 0.869 69.3 -16.2 -95.0 -49.5 -2.8 3.5 9.0 41 41 A R + 0 0 161 9,-0.3 9,-0.3 -37,-0.1 -1,-0.3 -0.952 62.3 173.3-160.8 138.4 -0.4 6.5 9.5 42 42 A V - 0 0 33 -2,-0.3 -40,-0.0 7,-0.1 7,-0.0 -0.975 17.5-141.7-146.2 158.0 2.1 8.5 7.4 43 43 A A - 0 0 17 -2,-0.3 4,-0.4 4,-0.2 -40,-0.1 -0.930 15.5-138.5-123.6 147.4 4.3 11.6 7.7 44 44 A P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -40,-0.0 0.704 106.9 41.4 -74.1 -20.5 5.1 14.3 5.2 45 45 A L S S- 0 0 164 -3,-0.0 2,-0.0 1,-0.0 -3,-0.0 0.867 131.8 -65.2 -92.8 -46.4 8.8 14.3 6.2 46 46 A G + 0 0 38 2,-0.0 -4,-0.0 17,-0.0 15,-0.0 -0.027 66.4 150.8 151.3 100.3 9.4 10.6 6.6 47 47 A D - 0 0 82 -4,-0.4 15,-1.1 -6,-0.0 2,-0.6 -0.873 49.4 -85.2-139.4 171.0 7.9 8.1 9.1 48 48 A P E - D 0 61A 74 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.712 46.2-169.9 -84.8 117.2 7.1 4.4 9.4 49 49 A V E - D 0 60A 5 11,-1.5 11,-4.0 -2,-0.6 2,-0.4 -0.715 11.8-140.7-106.5 157.2 3.6 3.6 8.0 50 50 A H E - D 0 59A 65 -9,-0.3 -10,-1.8 9,-0.3 2,-0.3 -0.955 9.5-145.9-121.0 136.4 1.5 0.4 8.2 51 51 A I E -CD 39 58A 3 7,-3.4 7,-1.7 -2,-0.4 2,-0.7 -0.781 8.3-140.1-102.1 143.8 -0.6 -1.1 5.5 52 52 A E E +CD 38 57A 78 -14,-1.9 -14,-1.2 -2,-0.3 5,-0.2 -0.894 32.1 164.5-106.8 110.6 -3.9 -3.0 6.0 53 53 A T E > - D 0 56A 18 3,-3.5 3,-1.8 -2,-0.7 2,-0.8 -0.460 55.3 -40.5-112.1-174.3 -4.3 -6.0 3.9 54 54 A R T 3 S- 0 0 197 1,-0.3 -1,-0.1 -18,-0.3 3,-0.1 -0.276 122.8 -36.9 -52.4 94.5 -6.6 -9.1 3.9 55 55 A R T 3 S+ 0 0 253 -2,-0.8 2,-0.3 1,-0.1 -1,-0.3 0.849 125.6 100.7 53.2 38.2 -6.6 -9.8 7.6 56 56 A V E < -D 53 0A 63 -3,-1.8 -3,-3.5 2,-0.0 2,-0.6 -0.954 58.1-153.9-155.4 132.1 -2.9 -8.8 7.8 57 57 A S E -D 52 0A 72 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.905 19.1-176.9-112.2 107.8 -1.1 -5.6 8.8 58 58 A L E -D 51 0A 40 -7,-1.7 -7,-3.4 -2,-0.6 2,-0.4 -0.704 19.1-130.6-101.5 154.1 2.3 -5.0 7.2 59 59 A V E -D 50 0A 74 -9,-0.3 2,-0.3 -2,-0.3 -9,-0.3 -0.859 24.5-177.5-107.5 139.1 4.7 -2.2 8.0 60 60 A L E -D 49 0A 15 -11,-4.0 -11,-1.5 -2,-0.4 2,-0.4 -0.846 18.1-132.1-129.4 166.2 6.4 -0.0 5.3 61 61 A R E >> -D 48 0A 146 -2,-0.3 4,-2.6 -13,-0.2 3,-1.0 -0.969 21.5-125.7-124.6 136.4 8.9 2.8 5.2 62 62 A K T 34 S+ 0 0 63 -15,-1.1 4,-0.3 -2,-0.4 -1,-0.1 0.778 119.0 46.0 -46.0 -29.4 8.6 6.1 3.3 63 63 A K T 34 S+ 0 0 141 2,-0.2 3,-0.4 1,-0.1 4,-0.3 0.797 108.7 54.3 -84.4 -31.6 12.0 5.2 1.8 64 64 A D T X> S+ 0 0 22 -3,-1.0 3,-1.4 1,-0.2 4,-1.2 0.857 100.1 60.7 -69.5 -36.0 10.9 1.6 1.1 65 65 A L T 3< S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.749 86.7 77.6 -63.0 -23.6 7.9 2.8 -0.9 66 66 A A T 34 S+ 0 0 75 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.828 102.3 37.2 -55.6 -33.2 10.3 4.6 -3.2 67 67 A L T <4 S+ 0 0 61 -3,-1.4 -53,-0.3 -4,-0.3 -2,-0.2 0.956 107.9 65.5 -83.5 -61.0 11.0 1.2 -4.8 68 68 A I S < S- 0 0 15 -4,-1.2 -55,-0.3 -55,-0.2 2,-0.2 -0.327 82.8-126.7 -65.3 144.5 7.6 -0.5 -4.8 69 69 A E E -B 12 0A 102 -57,-1.4 -57,-2.4 -54,-0.0 2,-0.3 -0.606 20.0-155.5 -93.3 154.4 4.9 1.1 -7.0 70 70 A L E -B 11 0A 32 -2,-0.2 2,-0.4 -59,-0.2 -59,-0.2 -0.959 6.6-161.4-131.5 149.0 1.4 2.2 -5.8 71 71 A E E -B 10 0A 103 -61,-1.6 -61,-0.7 -2,-0.3 -37,-0.0 -0.956 20.5-130.9-134.4 115.3 -1.9 2.7 -7.5 72 72 A A E -B 9 0A 49 -2,-0.4 -63,-0.2 -63,-0.2 3,-0.1 -0.283 33.0-105.6 -62.1 145.4 -4.7 4.7 -6.0 73 73 A V - 0 0 43 -65,-0.6 2,-1.0 1,-0.1 -1,-0.1 0.096 47.2 -77.0 -60.4-179.0 -8.2 3.1 -5.9 74 74 A A 0 0 94 1,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.747 360.0 360.0 -89.9 101.8 -11.0 4.1 -8.3 75 75 A Q 0 0 200 -2,-1.0 -3,-0.0 -3,-0.1 -1,-0.0 -0.284 360.0 360.0 -58.5 360.0 -12.5 7.4 -7.0