==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 18-JAN-12 4DCY . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.V.CHERRIER,E.GIRGENTI,P.AMARA,M.IANNELLO,C.MARCHI-DELAPIER . 996 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 675 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 78 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 3 5 2 3 2 6 0 3 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 0 2 2 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 . 4 6 2 2 10 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 3 0 0 1 0 0 0 1 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 3 A P 0 0 135 0, 0.0 188,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.7 -18.6 17.3 -55.2 2 4 A D + 0 0 52 187,-0.1 188,-3.6 494,-0.0 189,-1.2 -0.012 360.0 79.5-107.8 22.2 -19.5 13.7 -54.3 3 5 A E E -a 191 0A 104 187,-0.2 2,-0.3 186,-0.2 189,-0.2 -0.992 64.9-170.1-122.8 136.5 -15.9 12.8 -54.8 4 6 A I E -a 192 0A 2 187,-2.4 189,-2.5 -2,-0.4 2,-0.4 -0.934 13.8-146.3-128.4 154.7 -13.3 13.6 -52.1 5 7 A T E +a 193 0A 36 -2,-0.3 208,-3.5 187,-0.2 209,-1.0 -0.959 28.6 153.2-119.3 136.6 -9.5 13.6 -51.9 6 8 A T E -ab 194 214A 4 187,-3.1 189,-3.0 -2,-0.4 2,-0.3 -0.658 28.5-118.1-142.3-165.5 -7.7 12.7 -48.7 7 9 A A E -a 195 0A 6 207,-0.5 209,-0.3 187,-0.3 189,-0.2 -0.965 16.1-175.2-147.1 160.6 -4.3 11.3 -47.7 8 10 A W E -a 196 0A 54 187,-2.0 189,-2.3 -2,-0.3 4,-0.0 -0.969 37.3-118.2-150.4 149.1 -2.5 8.5 -45.9 9 11 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.793 96.1 13.9 -64.6 -27.0 1.2 8.0 -45.1 10 12 A V S S- 0 0 66 187,-0.1 187,-0.1 1,-0.1 160,-0.0 -0.883 94.2 -79.7-136.9 168.5 1.3 4.8 -47.3 11 13 A N - 0 0 22 -2,-0.3 163,-0.1 1,-0.1 -1,-0.1 -0.273 47.1-111.7 -61.4 159.7 -0.7 2.9 -49.9 12 14 A V - 0 0 0 1,-0.2 12,-2.5 182,-0.1 3,-0.4 0.680 52.0-136.0 -74.5 -15.5 -3.5 0.8 -48.4 13 15 A G - 0 0 23 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.404 44.5 -41.7 91.0-170.0 -1.8 -2.5 -49.3 14 16 A P - 0 0 75 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.664 69.4-129.9 -67.9 -18.8 -3.2 -5.7 -50.9 15 17 A L + 0 0 0 -3,-0.4 -2,-0.1 1,-0.2 150,-0.1 0.899 41.1 169.7 58.4 46.1 -6.4 -5.6 -48.8 16 18 A N > - 0 0 5 4,-0.2 3,-1.0 1,-0.1 -1,-0.2 -0.797 28.0-148.9 -77.3 119.5 -6.1 -9.2 -47.7 17 19 A P T 3 S+ 0 0 0 0, 0.0 121,-0.3 0, 0.0 -1,-0.1 0.686 90.2 47.7 -66.9 -15.3 -8.8 -9.2 -45.0 18 20 A H T 3 S+ 0 0 3 117,-0.1 2,-0.2 132,-0.1 117,-0.1 0.366 100.8 70.0-112.4 0.8 -6.9 -11.8 -43.0 19 21 A L < - 0 0 23 -3,-1.0 132,-0.0 1,-0.2 70,-0.0 -0.654 61.8-143.5-116.7 175.8 -3.4 -10.5 -42.8 20 22 A Y > + 0 0 40 1,-0.4 3,-2.7 -2,-0.2 -1,-0.2 0.397 55.7 57.1-108.5-123.3 -1.6 -7.6 -41.2 21 23 A T T 3 S+ 0 0 131 1,-0.3 -1,-0.4 -8,-0.1 3,-0.1 -0.250 108.7 20.4 -52.9 139.5 1.2 -5.4 -42.5 22 24 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.905 103.0 97.7 -95.9 19.4 1.3 -3.8 -45.0 23 25 A N S < S- 0 0 6 -3,-2.7 2,-0.5 -10,-0.1 -10,-0.2 -0.462 71.4-133.3 -63.7 131.7 -2.6 -3.9 -45.1 24 26 A Q >> - 0 0 46 -12,-2.5 4,-2.0 -2,-0.2 3,-0.8 -0.806 8.7-141.5 -90.3 125.4 -4.0 -0.7 -43.6 25 27 A M H 3> S+ 0 0 38 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.853 97.4 55.9 -55.6 -41.5 -6.8 -1.5 -41.1 26 28 A F H 3> S+ 0 0 6 1,-0.2 4,-0.7 2,-0.2 464,-0.3 0.874 110.4 46.7 -62.6 -33.4 -9.1 1.4 -42.1 27 29 A A H X> S+ 0 0 0 -3,-0.8 4,-1.4 2,-0.2 3,-0.5 0.884 107.8 53.9 -78.3 -38.9 -9.0 0.3 -45.7 28 30 A Q H 3X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 3,-0.4 0.932 109.7 51.9 -55.2 -41.8 -9.7 -3.4 -44.8 29 31 A S H 3< S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.713 103.5 56.7 -67.6 -23.7 -12.7 -2.0 -42.9 30 32 A M H << S+ 0 0 3 -4,-0.7 133,-1.3 -3,-0.5 -1,-0.2 0.852 120.2 28.2 -73.7 -32.6 -13.9 -0.0 -45.9 31 33 A V H < S+ 0 0 2 -4,-1.4 130,-2.4 -3,-0.4 2,-0.3 0.790 116.2 55.7-100.9 -36.8 -14.1 -3.2 -48.1 32 34 A Y < - 0 0 0 -4,-3.0 108,-0.1 -5,-0.2 127,-0.1 -0.778 64.9-152.7-109.6 152.8 -14.8 -6.1 -45.7 33 35 A E - 0 0 7 106,-0.3 106,-1.1 -2,-0.3 2,-0.2 -0.876 7.6-130.5-129.2 151.6 -17.5 -6.6 -43.1 34 36 A P - 0 0 4 0, 0.0 14,-1.4 0, 0.0 15,-0.2 -0.484 26.8-116.4 -91.3 161.9 -18.1 -8.4 -39.8 35 37 A L S S+ 0 0 1 102,-0.4 14,-2.5 96,-0.4 12,-1.4 0.865 105.6 20.8 -62.4 -37.5 -20.9 -10.8 -38.7 36 38 A V E S-K 46 0B 0 95,-0.2 2,-0.5 10,-0.2 -1,-0.2 -0.972 83.0-128.3-137.2 150.2 -21.8 -8.2 -36.0 37 39 A K E -K 45 0B 62 8,-3.1 8,-2.3 -2,-0.3 2,-0.1 -0.854 15.0-126.4-113.6 130.8 -21.0 -4.5 -35.8 38 40 A Y E -K 44 0B 24 -2,-0.5 2,-0.3 94,-0.3 6,-0.2 -0.402 26.3-159.6 -70.3 140.7 -19.4 -2.6 -32.9 39 41 A Q > - 0 0 34 4,-2.5 3,-2.4 -2,-0.1 445,-0.0 -0.876 30.0-111.4-122.1 154.8 -21.3 0.5 -31.6 40 42 A A T 3 S+ 0 0 58 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.818 114.5 62.4 -52.4 -35.7 -20.2 3.5 -29.6 41 43 A D T 3 S- 0 0 42 1,-0.1 -1,-0.3 940,-0.1 941,-0.2 0.511 121.5-105.1 -73.9 -2.1 -22.2 2.4 -26.6 42 44 A G S < S+ 0 0 29 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.297 86.2 109.6 98.6 -9.1 -20.0 -0.8 -26.4 43 45 A S - 0 0 38 -5,-0.1 -4,-2.5 85,-0.0 -1,-0.3 -0.297 61.5-128.8 -85.2 174.5 -22.6 -3.2 -27.8 44 46 A V E -K 38 0B 20 -6,-0.2 -6,-0.2 -3,-0.1 85,-0.1 -0.912 18.5-153.9-116.1 154.8 -22.6 -5.0 -31.1 45 47 A I E -K 37 0B 54 -8,-2.3 -8,-3.1 -2,-0.3 4,-0.2 -0.881 33.4 -82.9-119.1 158.8 -25.5 -5.0 -33.5 46 48 A P E +K 36 0B 62 0, 0.0 4,-0.2 0, 0.0 -10,-0.2 -0.251 57.9 151.6 -48.0 142.0 -26.6 -7.5 -36.2 47 49 A W S S- 0 0 50 -12,-1.4 -11,-0.2 2,-1.4 -12,-0.2 -0.013 76.2 -4.3-140.3-105.9 -24.7 -6.9 -39.4 48 50 A L S S+ 0 0 0 -14,-1.4 18,-2.6 17,-0.1 2,-0.5 0.809 134.8 62.2 -65.0 -27.4 -24.0 -9.8 -41.9 49 51 A A E S-L 65 0C 0 -14,-2.5 -2,-1.4 16,-0.3 16,-0.3 -0.897 72.2-163.4 -95.2 125.5 -25.6 -12.0 -39.2 50 52 A K E - 0 0 112 14,-2.0 2,-0.3 -2,-0.5 15,-0.2 0.811 69.7 -16.8 -74.5 -33.1 -29.3 -11.0 -38.6 51 53 A S E -L 64 0C 55 13,-1.5 13,-2.9 -6,-0.1 2,-0.3 -0.968 59.7-156.9-164.6 168.3 -29.5 -12.9 -35.2 52 54 A W E -L 63 0C 64 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.990 3.2-159.9-156.2 152.0 -27.8 -15.5 -33.1 53 55 A T E -L 62 0C 96 9,-2.1 9,-2.6 -2,-0.3 2,-0.3 -0.884 12.0-155.0-123.2 161.2 -28.4 -18.0 -30.3 54 56 A H E -L 61 0C 104 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.985 22.3-105.7-136.1 152.9 -25.9 -19.6 -27.9 55 57 A S > - 0 0 37 5,-2.6 3,-1.5 -2,-0.3 7,-0.0 -0.161 38.6-104.6 -65.4 166.4 -26.0 -22.8 -25.9 56 58 A E T 3 S+ 0 0 185 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.862 121.6 54.6 -64.9 -34.4 -26.5 -22.7 -22.1 57 59 A D T 3 S- 0 0 76 1,-0.1 -1,-0.3 3,-0.0 66,-0.1 0.412 109.3-124.8 -82.3 4.2 -22.8 -23.4 -21.5 58 60 A G S < S+ 0 0 10 -3,-1.5 66,-0.2 2,-0.2 64,-0.1 0.530 85.5 101.1 72.2 8.0 -21.9 -20.4 -23.7 59 61 A K + 0 0 81 64,-0.1 61,-3.4 1,-0.1 2,-0.5 0.664 67.4 60.5-103.0 -19.8 -19.6 -22.5 -25.9 60 62 A T E - M 0 119C 40 59,-0.2 -5,-2.6 2,-0.0 2,-0.4 -0.949 62.1-176.3-115.3 126.5 -21.8 -23.1 -29.0 61 63 A W E -LM 54 118C 28 57,-3.1 57,-3.4 -2,-0.5 2,-0.5 -0.961 9.0-164.1-124.4 134.3 -23.1 -20.2 -31.1 62 64 A T E -LM 53 117C 22 -9,-2.6 -9,-2.1 -2,-0.4 2,-0.5 -0.967 7.2-162.5-121.6 120.2 -25.4 -20.2 -34.1 63 65 A F E -LM 52 116C 0 53,-3.1 53,-2.8 -2,-0.5 2,-0.6 -0.864 11.5-148.1-103.0 132.3 -25.7 -17.2 -36.3 64 66 A T E -LM 51 115C 35 -13,-2.9 -14,-2.0 -2,-0.5 -13,-1.5 -0.902 27.1-149.6 -93.8 119.0 -28.6 -16.7 -38.8 65 67 A L E -L 49 0C 2 49,-3.0 -16,-0.3 -2,-0.6 -17,-0.1 -0.565 19.5 -98.0 -90.6 154.8 -27.1 -14.8 -41.7 66 68 A R - 0 0 69 -18,-2.6 3,-0.2 -2,-0.2 -1,-0.1 -0.304 26.4-150.7 -61.3 153.7 -28.8 -12.3 -44.0 67 69 A D S S+ 0 0 126 1,-0.1 -1,-0.1 11,-0.1 -19,-0.0 0.340 83.6 62.5-113.5 7.8 -29.9 -13.9 -47.2 68 70 A D S S+ 0 0 74 8,-0.0 2,-0.5 2,-0.0 -1,-0.1 0.110 72.7 115.7-119.4 17.7 -29.7 -10.9 -49.5 69 71 A V - 0 0 1 8,-0.4 8,-2.8 -3,-0.2 2,-0.4 -0.788 38.1-175.4-100.7 130.1 -26.0 -10.1 -49.4 70 72 A K B -O 76 0D 99 -2,-0.5 113,-0.2 111,-0.3 5,-0.1 -0.954 28.2-118.9-117.8 141.8 -23.7 -10.3 -52.4 71 73 A F > - 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0 0 29 -3,-1.6 3,-1.1 -4,-0.1 6,-0.4 -0.741 68.9-146.1 -92.3 119.8 1.9 -13.1 -25.1 412 414 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.728 90.2 63.4 -57.9 -25.9 5.7 -13.3 -24.8 413 415 A S T 3 S+ 0 0 57 4,-0.1 2,-0.3 -28,-0.1 -28,-0.1 0.050 89.9 86.3 -93.4 27.9 6.5 -11.5 -28.0 414 416 A H S <> S- 0 0 46 -3,-1.1 4,-2.1 -30,-0.2 3,-0.3 -0.931 82.1-115.3-131.6 155.5 5.0 -8.2 -26.9 415 417 A A H > S+ 0 0 2 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.834 110.6 52.4 -54.0 -42.8 6.1 -5.1 -25.0 416 418 A D H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 108.7 49.3 -69.0 -38.9 3.8 -5.4 -22.1 417 419 A F H > S+ 0 0 32 -6,-0.4 4,-0.6 -9,-0.3 -1,-0.2 0.948 114.7 45.9 -61.0 -48.6 4.7 -9.0 -21.4 418 420 A Q H >< S+ 0 0 38 -4,-2.1 3,-1.3 -35,-0.3 4,-0.3 0.936 111.2 51.7 -59.3 -48.0 8.4 -8.0 -21.5 419 421 A A H 3< S+ 0 0 0 -4,-3.1 -166,-2.6 1,-0.3 3,-0.5 0.839 113.2 45.6 -58.3 -34.1 7.9 -4.9 -19.3 420 422 A Q H >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.2 -1,-0.3 0.470 81.9 101.6 -90.4 -3.1 6.1 -7.0 -16.6 421 423 A Q T << S+ 0 0 76 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.1 0.752 75.5 57.7 -59.0 -26.7 8.5 -9.9 -16.6 422 424 A G T 3 S+ 0 0 42 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.3 0.444 80.5 107.6 -85.3 1.6 10.2 -8.7 -13.4 423 425 A L X - 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