==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN, METAL TRANSPORT 15-JUN-05 2A02 . COMPND 2 MOLECULE: FERRIC-PSEUDOBACTIN 358 RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.D.FERGUSON,C.A.AMEZCUA,Y.CHELLIAH,M.K.ROSEN,J.DEISENHOFER . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 13.4 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 1.2 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 . 20 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 147 0, 0.0 2,-2.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.6 -9.5 -8.0 -6.4 2 2 A Q + 0 0 150 2,-0.0 47,-0.4 46,-0.0 2,-0.3 -0.389 360.0 112.0 -81.1 62.1 -6.6 -5.9 -7.7 3 3 A E - 0 0 79 -2,-2.3 2,-0.3 45,-0.2 45,-0.3 -0.862 52.4-144.5-131.2 166.4 -4.8 -6.3 -4.4 4 4 A W E -A 47 0A 109 43,-2.5 43,-1.9 -2,-0.3 2,-0.9 -0.857 22.6-113.6-133.4 160.9 -1.6 -8.1 -3.4 5 5 A T E -A 46 0A 109 -2,-0.3 41,-0.2 41,-0.2 2,-0.1 -0.844 47.3-158.5 -96.2 99.9 -0.1 -10.0 -0.5 6 6 A L - 0 0 8 39,-3.1 2,-0.4 -2,-0.9 14,-0.1 -0.430 22.1-161.2 -86.2 153.4 2.6 -7.6 0.6 7 7 A D + 0 0 99 37,-0.2 37,-0.1 -2,-0.1 16,-0.1 -0.887 24.1 173.3-130.6 98.3 5.7 -8.3 2.6 8 8 A I - 0 0 6 -2,-0.4 36,-0.1 11,-0.0 8,-0.1 -0.936 27.1-128.1-117.7 125.9 7.0 -5.0 4.0 9 9 A P - 0 0 33 0, 0.0 34,-0.2 0, 0.0 7,-0.1 -0.302 4.5-147.3 -64.6 153.3 9.9 -4.5 6.4 10 10 A A S S+ 0 0 47 32,-0.1 3,-0.1 31,-0.1 32,-0.0 0.049 73.8 86.8-110.0 20.9 9.4 -2.4 9.6 11 11 A Q S S- 0 0 112 1,-0.3 29,-2.8 28,-0.2 5,-0.1 0.104 92.8 -10.2 -96.7-150.0 12.9 -1.1 9.5 12 12 A S B >> -B 39 0B 52 27,-0.2 3,-2.1 1,-0.1 4,-1.2 -0.252 66.5-125.8 -53.3 131.3 14.4 1.9 7.7 13 13 A M H 3> S+ 0 0 11 25,-3.3 4,-2.4 1,-0.3 5,-0.3 0.774 106.5 68.6 -49.9 -34.4 11.9 3.3 5.2 14 14 A N H 3> S+ 0 0 64 1,-0.2 4,-1.3 24,-0.2 -1,-0.3 0.830 103.0 45.2 -57.2 -33.1 14.4 3.0 2.4 15 15 A S H <> S+ 0 0 29 -3,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.910 110.5 51.5 -78.1 -45.0 14.1 -0.8 2.6 16 16 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.917 112.5 45.3 -60.5 -46.5 10.3 -1.0 2.8 17 17 A L H X S+ 0 0 10 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.915 114.6 47.8 -65.6 -43.4 9.8 1.2 -0.2 18 18 A Q H X S+ 0 0 122 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.2 0.874 112.0 50.6 -65.5 -37.4 12.4 -0.7 -2.3 19 19 A A H X S+ 0 0 19 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.904 110.3 49.5 -65.5 -40.4 10.9 -4.0 -1.2 20 20 A L H X S+ 0 0 2 -4,-2.3 4,-1.5 -5,-0.2 6,-0.2 0.864 106.1 59.2 -65.9 -34.7 7.5 -2.8 -2.2 21 21 A A H >X>S+ 0 0 12 -4,-1.9 5,-2.6 1,-0.2 4,-0.7 0.960 110.4 37.7 -60.5 -57.0 8.9 -1.8 -5.6 22 22 A K H 3<5S+ 0 0 168 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.859 116.8 53.3 -63.1 -36.6 10.2 -5.1 -6.7 23 23 A Q H 3<5S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.676 119.2 31.5 -80.3 -18.5 7.2 -7.0 -5.2 24 24 A T H <<5S- 0 0 10 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.275 109.0-113.2-120.3 9.3 4.5 -5.0 -6.9 25 25 A D T <5S+ 0 0 127 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.916 72.2 134.0 60.7 47.3 6.4 -4.2 -10.1 26 26 A T < - 0 0 13 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.898 56.5-129.1-128.5 154.7 6.6 -0.5 -9.4 27 27 A Q E -c 70 0C 131 42,-3.6 44,-3.3 -2,-0.3 2,-0.5 -0.923 25.4-165.5-103.5 120.2 9.2 2.3 -9.5 28 28 A L E -c 71 0C 16 -2,-0.6 2,-0.6 42,-0.2 44,-0.2 -0.917 4.8-157.2-112.9 125.8 9.4 4.3 -6.2 29 29 A L E +c 72 0C 85 42,-3.4 44,-2.5 -2,-0.5 2,-0.3 -0.900 31.9 136.3-106.5 120.8 11.2 7.6 -6.1 30 30 A Y - 0 0 54 -2,-0.6 44,-0.1 42,-0.1 3,-0.1 -0.979 51.8-113.0-156.5 157.7 12.4 8.7 -2.7 31 31 A S > - 0 0 44 -2,-0.3 4,-0.7 42,-0.2 3,-0.1 -0.889 16.4-162.7-102.7 114.1 15.4 10.3 -1.0 32 32 A P T 4>S+ 0 0 78 0, 0.0 5,-0.5 0, 0.0 3,-0.2 0.795 94.1 48.7 -62.9 -30.1 17.2 7.9 1.4 33 33 A E T >45S+ 0 0 168 1,-0.2 3,-0.9 2,-0.1 -2,-0.0 0.826 107.7 54.3 -76.9 -32.0 19.0 10.8 3.0 34 34 A D T 345S+ 0 0 118 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.570 97.3 64.2 -84.8 -8.0 15.9 12.9 3.4 35 35 A I T ><5S- 0 0 22 -4,-0.7 3,-1.7 -3,-0.2 -1,-0.2 0.429 95.0-138.0 -96.9 -1.0 14.0 10.3 5.3 36 36 A G T < 5 - 0 0 69 -3,-0.9 -3,-0.1 1,-0.3 -2,-0.1 0.637 59.9 -69.1 58.7 17.2 16.4 10.4 8.2 37 37 A G T 3 - 0 0 47 -2,-0.3 4,-3.2 -45,-0.3 5,-0.2 -0.453 38.7-112.2 -79.6 157.0 -4.2 -2.5 -3.0 49 49 A L H > S+ 0 0 10 -47,-0.4 4,-2.7 1,-0.2 5,-0.2 0.951 115.4 40.4 -57.3 -58.3 -1.1 -0.5 -4.1 50 50 A Q H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.881 117.5 50.2 -59.2 -41.5 -2.4 3.0 -3.6 51 51 A S H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 110.8 48.4 -63.1 -45.6 -4.2 2.0 -0.4 52 52 A S H X S+ 0 0 4 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.906 110.1 52.5 -62.0 -42.7 -1.0 0.4 1.0 53 53 A L H X S+ 0 0 10 -4,-2.7 4,-3.1 -5,-0.2 5,-0.3 0.926 109.3 49.9 -57.4 -46.1 1.0 3.5 0.2 54 54 A R H X S+ 0 0 111 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 113.6 44.3 -61.5 -45.2 -1.5 5.6 2.0 55 55 A I H < S+ 0 0 60 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.906 119.0 42.1 -67.8 -42.5 -1.5 3.5 5.2 56 56 A L H < S+ 0 0 12 -4,-2.7 -15,-0.5 -5,-0.2 -2,-0.2 0.899 119.0 43.8 -72.1 -41.6 2.3 3.1 5.2 57 57 A L H >< S+ 0 0 18 -4,-3.1 3,-1.8 -5,-0.3 5,-0.3 0.903 85.7 103.7 -72.1 -44.6 3.0 6.8 4.3 58 58 A Q T 3< S+ 0 0 152 -4,-2.3 5,-0.0 -5,-0.3 -17,-0.0 -0.170 77.4 42.6 -46.5 112.6 0.5 8.3 6.7 59 59 A G T 3 S+ 0 0 78 3,-0.1 -1,-0.3 -18,-0.0 -2,-0.1 0.197 96.6 74.2 130.6 -13.7 2.5 9.6 9.6 60 60 A T S < S- 0 0 44 -3,-1.8 -2,-0.1 2,-0.1 3,-0.1 0.363 95.7-125.6-107.0 3.0 5.4 11.2 7.7 61 61 A G + 0 0 51 1,-0.2 15,-0.4 -4,-0.2 2,-0.2 0.741 67.0 134.1 57.1 25.2 3.5 14.2 6.5 62 62 A L - 0 0 41 -5,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.494 53.8-128.3-100.5 169.3 4.6 13.3 2.9 63 63 A R E -D 74 0C 61 11,-3.4 11,-2.8 -2,-0.2 2,-0.5 -0.983 15.8-151.4-121.7 126.3 2.6 13.1 -0.3 64 64 A Y E -D 73 0C 59 -2,-0.5 2,-0.7 9,-0.2 9,-0.2 -0.842 2.1-158.3-100.5 125.5 2.6 10.1 -2.5 65 65 A Q E -D 72 0C 110 7,-2.8 7,-2.9 -2,-0.5 2,-0.7 -0.905 9.3-169.6-101.5 110.4 2.1 10.4 -6.2 66 66 A I E +D 71 0C 58 -2,-0.7 2,-0.4 5,-0.2 5,-0.2 -0.895 15.0 162.4-104.8 114.8 1.0 7.2 -7.8 67 67 A D E > -D 70 0C 120 3,-3.6 3,-2.8 -2,-0.7 2,-0.7 -0.873 63.0 -65.5-135.6 101.2 1.0 7.1 -11.6 68 68 A G T 3 S- 0 0 67 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.426 122.2 -11.3 61.1-105.1 0.9 3.8 -13.4 69 69 A N T 3 S+ 0 0 108 -2,-0.7 -42,-3.6 -43,-0.1 2,-0.5 0.261 121.3 94.0-106.9 7.8 4.2 2.2 -12.4 70 70 A T E < -cD 27 67C 59 -3,-2.8 -3,-3.6 -44,-0.2 2,-0.5 -0.896 47.8-178.3-109.2 126.0 5.6 5.4 -11.0 71 71 A V E -cD 28 66C 0 -44,-3.3 -42,-3.4 -2,-0.5 2,-0.6 -0.958 6.4-172.2-122.2 111.6 5.4 6.2 -7.3 72 72 A T E -cD 29 65C 46 -7,-2.9 -7,-2.8 -2,-0.5 2,-0.9 -0.902 8.4-160.1-110.4 112.5 6.8 9.6 -6.3 73 73 A V E + D 0 64C 27 -44,-2.5 2,-0.3 -2,-0.6 -42,-0.2 -0.801 22.6 172.3 -93.4 104.6 7.1 10.3 -2.6 74 74 A T E - D 0 63C 56 -11,-2.8 -11,-3.4 -2,-0.9 2,-0.7 -0.791 33.3-123.8-113.1 155.7 7.4 14.1 -2.3 75 75 A A - 0 0 60 -2,-0.3 2,-0.8 -13,-0.2 -13,-0.2 -0.874 24.1-170.6-101.9 108.2 7.4 16.3 0.8 76 76 A S - 0 0 46 -2,-0.7 2,-1.7 -15,-0.4 4,-0.1 -0.853 8.6-164.6-102.3 103.6 4.7 19.0 0.6 77 77 A A + 0 0 112 -2,-0.8 2,-0.4 2,-0.1 -1,-0.1 -0.282 57.9 102.2 -82.1 52.6 5.1 21.5 3.4 78 78 A A - 0 0 55 -2,-1.7 2,-2.3 2,-0.0 -2,-0.1 -0.974 68.2-142.7-141.4 122.9 1.6 22.9 2.8 79 79 A A S S+ 0 0 111 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.394 80.5 91.9 -78.1 61.5 -1.5 22.3 4.8 80 80 A K - 0 0 185 -2,-2.3 2,-0.3 -4,-0.1 -1,-0.1 -0.583 56.5-174.9-158.0 82.3 -3.6 22.3 1.6 81 81 A D 0 0 115 1,-0.2 -2,-0.0 -2,-0.1 -18,-0.0 -0.604 360.0 360.0 -88.3 145.2 -4.0 18.9 -0.1 82 82 A G 0 0 149 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.422 360.0 360.0-153.0 360.0 -5.8 18.5 -3.4