==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 19-MAR-11 3R5T . COMPND 2 MOLECULE: FERRIC VIBRIOBACTIN ABC TRANSPORTER, PERIPLASMIC . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR N.LI,C.ZHANG,B.LI,X.LIU,Y.HUANG,S.XU,L.GU . 297 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.1 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 . 2 0.7 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-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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 1 1 2 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 3 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 2 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 . 1 0 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 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 31 A N 0 0 171 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.7 20.5 -12.9 29.2 2 32 A V - 0 0 110 17,-0.0 131,-0.0 2,-0.0 17,-0.0 -0.580 360.0-145.8 -89.5 133.6 17.0 -13.5 27.8 3 33 A W S S+ 0 0 52 -2,-0.3 2,-0.2 17,-0.1 16,-0.1 -0.979 75.6 47.7-138.2 141.8 16.2 -14.0 24.2 4 34 A P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.567 80.0 170.1 -62.7 161.5 13.9 -13.3 22.5 5 35 A R E -A 17 0A 44 12,-1.9 12,-3.2 -2,-0.2 2,-0.4 -0.973 30.9-120.9-140.5 158.9 13.7 -9.7 23.6 6 36 A T E -A 16 0A 83 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.843 19.5-157.5-103.4 134.1 11.8 -6.6 22.5 7 37 A F E -A 15 0A 14 8,-2.7 8,-2.2 -2,-0.4 2,-0.7 -0.946 14.5-134.4-110.9 131.0 13.6 -3.5 21.3 8 38 A Q E -A 14 0A 155 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.764 23.9-147.4 -88.0 114.0 11.8 -0.1 21.4 9 39 A N > - 0 0 13 4,-2.5 3,-1.9 -2,-0.7 105,-0.2 -0.390 23.4-111.2 -79.7 157.8 12.4 1.8 18.1 10 40 A A T 3 S+ 0 0 43 103,-2.3 104,-0.1 1,-0.3 -1,-0.1 0.643 115.7 58.4 -65.4 -15.7 12.7 5.5 17.9 11 41 A D T 3 S- 0 0 67 102,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.268 122.3-101.7 -96.9 10.3 9.4 5.7 16.0 12 42 A G S < S+ 0 0 68 -3,-1.9 -2,-0.1 1,-0.3 2,-0.0 0.240 87.5 119.2 89.0 -13.3 7.5 4.1 18.8 13 43 A S - 0 0 50 -5,-0.1 -4,-2.5 1,-0.0 -1,-0.3 -0.260 55.2-134.5 -73.5 169.7 7.4 0.7 17.0 14 44 A I E -A 8 0A 106 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.919 9.6-157.3-124.9 155.0 8.9 -2.4 18.5 15 45 A T E -A 7 0A 10 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.6 -0.996 12.9-141.5-130.6 126.6 11.1 -5.2 17.1 16 46 A T E -A 6 0A 75 -2,-0.4 -10,-0.2 -10,-0.2 95,-0.1 -0.784 10.2-157.0 -86.7 122.6 11.4 -8.6 18.5 17 47 A I E -A 5 0A 0 -12,-3.2 -12,-1.9 -2,-0.6 70,-0.1 -0.897 4.6-164.8 -99.7 109.2 14.9 -9.9 18.3 18 48 A P + 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.816 67.2 10.2 -68.6 -34.0 14.6 -13.7 18.4 19 49 A S S S- 0 0 66 67,-0.2 -14,-0.1 -16,-0.1 3,-0.1 -0.963 96.6 -75.6-144.5 155.7 18.2 -14.6 19.2 20 50 A Q - 0 0 59 -2,-0.3 112,-0.1 1,-0.1 113,-0.1 -0.335 60.4-111.7 -54.8 122.1 21.4 -12.7 20.2 21 51 A P + 0 0 2 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.320 45.4 164.5 -60.3 132.6 22.6 -11.0 17.1 22 52 A K S S+ 0 0 120 1,-0.2 2,-0.3 18,-0.1 -2,-0.1 0.444 72.2 45.7-121.7 -8.7 25.9 -12.4 15.7 23 53 A R S S- 0 0 101 2,-0.0 63,-2.3 19,-0.0 64,-1.0 -0.708 74.7-176.7-138.4 81.3 25.8 -10.9 12.2 24 54 A I E -bc 42 87B 0 17,-2.7 19,-3.0 -2,-0.3 20,-0.9 -0.693 9.5-162.8 -92.1 132.6 24.9 -7.2 12.4 25 55 A L E -bc 44 88B 0 62,-2.8 64,-2.5 -2,-0.4 2,-0.5 -0.953 7.7-152.9-114.3 121.9 24.4 -5.1 9.3 26 56 A S E -bc 45 89B 0 18,-2.6 20,-2.4 -2,-0.5 64,-0.1 -0.834 16.0-176.7 -98.6 127.1 24.5 -1.3 9.7 27 57 A T S S+ 0 0 2 62,-2.8 2,-0.5 -2,-0.5 63,-0.1 0.384 73.3 66.9 -94.1 1.5 22.6 0.9 7.3 28 58 A A >> - 0 0 0 61,-0.3 4,-1.3 1,-0.1 3,-1.0 -0.946 65.8-156.7-129.7 109.4 23.9 4.1 8.9 29 59 A V H 3> S+ 0 0 0 -2,-0.5 4,-0.8 18,-0.3 3,-0.2 0.841 94.9 60.2 -53.8 -34.9 27.5 5.0 8.8 30 60 A T H 3> S+ 0 0 8 1,-0.2 4,-0.5 2,-0.2 3,-0.5 0.911 105.0 47.4 -58.8 -41.0 27.1 7.2 11.9 31 61 A V H X> S+ 0 0 0 -3,-1.0 4,-2.0 1,-0.2 3,-0.7 0.783 95.9 74.0 -75.9 -24.5 25.9 4.2 14.0 32 62 A T H 3X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.863 88.5 59.7 -59.7 -37.5 28.8 2.0 12.8 33 63 A G H 3X S+ 0 0 0 -4,-0.8 4,-1.8 -3,-0.5 -1,-0.2 0.889 108.1 45.0 -56.3 -39.0 31.4 3.8 15.0 34 64 A T H S+ 0 0 1 -4,-2.0 5,-2.6 1,-0.2 3,-0.3 0.942 111.8 45.2 -58.1 -46.2 28.9 -0.6 17.1 36 66 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.884 106.0 61.8 -62.5 -36.9 32.6 -0.9 16.8 37 67 A A H 3<5S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.855 109.8 39.3 -58.6 -38.8 33.1 0.9 20.1 38 68 A I T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.242 114.7-114.3 -97.3 13.4 31.3 -1.8 22.0 39 69 A D T < 5 + 0 0 92 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.826 53.8 170.4 57.6 35.9 32.8 -4.6 20.0 40 70 A A < - 0 0 6 -5,-2.6 2,-2.6 -6,-0.2 -1,-0.2 -0.494 47.3-106.0 -74.5 148.9 29.5 -5.6 18.5 41 71 A P + 0 0 46 0, 0.0 -17,-2.7 0, 0.0 2,-0.5 -0.373 53.2 167.5 -78.1 65.3 29.8 -8.2 15.6 42 72 A V E +b 24 0B 8 -2,-2.6 -17,-0.2 -19,-0.2 3,-0.1 -0.709 10.0 178.3 -80.2 122.9 29.0 -5.7 12.9 43 73 A I E + 0 0 28 -19,-3.0 24,-2.1 -2,-0.5 2,-0.3 0.542 61.2 14.0-109.7 -5.9 29.9 -7.4 9.6 44 74 A A E -bd 25 67B 0 -20,-0.9 -18,-2.6 22,-0.3 2,-0.3 -0.967 61.1-168.8-166.7 147.3 28.9 -4.8 7.0 45 75 A S E -bd 26 68B 0 22,-2.8 24,-3.0 -2,-0.3 -18,-0.2 -0.986 21.9-125.2-146.9 136.4 28.1 -1.1 6.9 46 76 A A E - 0 0 0 -20,-2.4 2,-0.2 -2,-0.3 -14,-0.1 -0.232 36.7-136.6 -63.5 167.6 26.7 1.4 4.5 47 77 A A E - d 0 71B 1 23,-2.8 25,-1.7 1,-0.2 -18,-0.3 -0.542 23.1 -72.4-121.2-179.1 28.9 4.5 3.9 48 78 A T > - 0 0 0 4,-2.7 3,-1.9 23,-0.2 24,-0.3 -0.156 58.9 -94.0 -62.8 173.6 28.7 8.3 3.6 49 79 A T T 3 S+ 0 0 62 1,-0.3 -1,-0.1 22,-0.3 -2,-0.0 0.788 130.8 57.5 -62.0 -24.8 27.2 9.7 0.4 50 80 A Q T 3 S- 0 0 102 2,-0.1 -1,-0.3 21,-0.0 -2,-0.1 0.189 121.4-109.0 -89.8 13.7 30.8 9.8 -0.8 51 81 A S S < S+ 0 0 57 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.807 76.0 127.0 64.6 35.6 31.3 6.1 -0.3 52 82 A T - 0 0 64 16,-0.0 -4,-2.7 0, 0.0 2,-0.3 -0.853 56.7-132.3-122.2 155.0 33.6 6.4 2.7 53 83 A F - 0 0 10 -2,-0.3 5,-0.1 -6,-0.2 2,-0.1 -0.748 49.6 -89.1 -87.6 150.8 33.8 5.1 6.2 54 84 A F >> - 0 0 12 -2,-0.3 3,-1.7 -25,-0.2 4,-1.3 -0.419 35.9-130.3 -63.5 135.6 34.6 7.8 8.9 55 85 A E T 34 S+ 0 0 78 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.757 99.7 69.6 -65.4 -27.7 38.3 8.1 9.2 56 86 A Q T 34 S+ 0 0 22 1,-0.2 -1,-0.3 208,-0.2 4,-0.1 0.759 121.0 16.2 -60.2 -25.8 38.4 7.8 13.0 57 87 A W T <> S+ 0 0 3 -3,-1.7 4,-2.7 2,-0.1 -2,-0.2 0.387 93.9 104.5-127.9 1.5 37.4 4.1 12.7 58 88 A R H X S+ 0 0 69 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.904 84.2 47.6 -51.8 -50.9 38.1 3.1 9.1 59 89 A K H > S+ 0 0 129 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.880 112.5 49.7 -64.5 -37.2 41.2 1.2 9.8 60 90 A L H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 109.9 51.2 -64.0 -42.8 39.6 -0.7 12.6 61 91 A A H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 -2,-0.2 0.934 111.6 47.6 -59.7 -45.1 36.6 -1.5 10.4 62 92 A E H ><5S+ 0 0 107 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.919 110.4 51.9 -62.1 -42.9 39.0 -2.9 7.7 63 93 A L H 3<5S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.898 111.3 47.1 -59.5 -40.3 40.9 -4.9 10.3 64 94 A R T 3<5S- 0 0 100 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.362 115.6-117.5 -85.6 6.1 37.6 -6.5 11.5 65 95 A Q T < 5 + 0 0 168 -3,-1.3 2,-0.7 1,-0.2 -3,-0.2 0.832 47.5 173.4 62.2 36.9 36.6 -7.2 7.9 66 96 A V < - 0 0 8 -5,-2.8 -22,-0.3 -6,-0.2 -1,-0.2 -0.670 31.4-130.0 -75.1 113.2 33.5 -4.9 8.0 67 97 A K E -d 44 0B 111 -24,-2.1 -22,-2.8 -2,-0.7 2,-0.6 -0.447 13.3-128.0 -69.1 131.3 32.3 -5.0 4.4 68 98 A K E -d 45 0B 103 -24,-0.2 -22,-0.2 -2,-0.2 -1,-0.1 -0.718 34.0-178.2 -81.9 122.7 31.6 -1.5 2.9 69 99 A L E - 0 0 28 -24,-3.0 -23,-0.1 -2,-0.6 -1,-0.1 0.213 38.1 -27.8 -96.6-142.6 28.2 -1.5 1.4 70 100 A W E - 0 0 17 1,-0.1 -23,-2.8 6,-0.1 -1,-0.3 -0.283 63.4-103.8 -76.0 157.4 26.3 1.3 -0.5 71 101 A P E > -d 47 0B 36 0, 0.0 3,-1.6 0, 0.0 -22,-0.3 -0.573 59.8 -77.2 -74.4 142.4 26.8 5.1 -0.1 72 102 A A T 3 S+ 0 0 14 -25,-1.7 24,-0.1 -24,-0.3 -44,-0.1 -0.080 116.7 36.2 -37.0 132.5 24.0 6.7 1.9 73 103 A G T 3 S+ 0 0 76 -3,-0.1 2,-0.4 23,-0.1 -1,-0.2 0.014 101.4 72.9 113.0 -24.0 20.8 7.1 -0.1 74 104 A S < - 0 0 65 -3,-1.6 2,-0.1 2,-0.0 24,-0.1 -0.625 66.3-159.0-126.8 73.8 20.7 4.0 -2.2 75 105 A V - 0 0 35 -2,-0.4 2,-1.0 1,-0.1 -3,-0.0 -0.296 7.3-150.4 -62.3 125.1 19.9 0.8 -0.2 76 106 A D > - 0 0 76 1,-0.2 4,-1.7 -2,-0.1 3,-0.1 -0.797 13.4-175.6 -96.7 96.6 21.2 -2.3 -2.0 77 107 A L H > S+ 0 0 51 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.858 80.5 58.9 -64.5 -35.1 18.8 -5.1 -1.0 78 108 A E H > S+ 0 0 145 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 105.3 50.8 -58.1 -44.4 20.6 -7.8 -2.8 79 109 A S H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 109.0 50.9 -62.6 -38.6 23.7 -7.0 -0.8 80 110 A V H X S+ 0 0 0 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.947 110.6 48.9 -63.2 -48.3 21.7 -7.2 2.5 81 111 A Y H >< S+ 0 0 130 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.925 111.3 50.1 -54.7 -46.1 20.3 -10.6 1.5 82 112 A V H 3< S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.864 105.2 55.6 -68.5 -33.4 23.7 -11.9 0.6 83 113 A E H 3< S- 0 0 15 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.700 94.6-149.4 -68.5 -17.8 25.3 -10.8 3.9 84 114 A Q << - 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0 0 23 0, 0.0 -22,-2.5 0, 0.0 2,-0.4 -0.306 58.6-158.3 -51.5 127.0 15.0 -8.1 12.6 111 141 A T E -e 88 0B 2 -24,-0.2 2,-0.3 -95,-0.1 -22,-0.2 -0.956 9.5-167.4-121.7 127.7 15.4 -4.4 11.9 112 142 A I E -e 89 0B 0 -24,-2.7 -22,-2.3 -2,-0.4 2,-0.4 -0.832 9.1-147.2-117.3 155.3 15.8 -1.7 14.6 113 143 A L E +e 90 0B 1 -2,-0.3 -103,-2.3 -24,-0.2 2,-0.3 -0.982 19.1 174.0-129.5 121.8 15.6 2.1 14.4 114 144 A V E -e 91 0B 0 -24,-2.5 -22,-2.0 -2,-0.4 2,-0.6 -0.896 25.1-138.5-127.5 151.2 17.7 4.5 16.6 115 145 A D + 0 0 16 -2,-0.3 3,-0.4 -24,-0.2 -24,-0.1 -0.951 18.4 176.5-113.1 112.7 18.1 8.3 16.7 116 146 A Y > + 0 0 18 -2,-0.6 3,-0.7 -23,-0.2 67,-0.3 0.489 64.3 84.9 -88.1 -4.7 21.7 9.3 17.2 117 147 A S T 3 S+ 0 0 3 1,-0.2 -1,-0.2 -24,-0.1 66,-0.1 0.633 96.3 32.1 -78.7 -15.0 20.9 13.0 16.9 118 148 A D T 3 S+ 0 0 56 -3,-0.4 2,-0.3 64,-0.1 -1,-0.2 0.097 107.1 69.6-132.3 23.7 19.9 13.8 20.5 119 149 A Q S < S- 0 0 36 -3,-0.7 64,-0.3 3,-0.0 67,-0.0 -0.957 79.3-103.8-138.0 158.7 21.9 11.5 22.6 120 150 A T > - 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