==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 07-AUG-08 3E3K . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.V.CHERRIER,C.CAVAZZA,C.BOCHOT,D.LEMAIRE,J.C.FONTECILLA-CAM . 1497 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1015 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 226 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 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 . 138 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 185 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.4 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 2 5 5 9 1 4 5 1 3 2 2 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 0 2 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 . 9 7 5 4 13 4 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 . 5 4 6 0 1 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 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 2 A A 0 0 95 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.6 22.0 -46.1 -37.8 2 3 A P + 0 0 88 0, 0.0 497,-0.1 0, 0.0 0, 0.0 0.907 360.0 61.5 -72.7 -45.5 21.6 -46.3 -34.0 3 4 A D S S+ 0 0 58 187,-0.1 188,-2.9 495,-0.1 189,-1.3 0.691 105.3 63.1 -53.3 -21.7 25.3 -45.6 -33.3 4 5 A E E +a 192 0A 84 186,-0.2 2,-0.3 187,-0.2 189,-0.2 -0.794 64.3 179.1-110.7 150.0 24.6 -42.2 -35.1 5 6 A I E -a 193 0A 4 187,-1.5 189,-1.4 -2,-0.3 2,-0.4 -0.991 16.7-141.4-147.8 152.6 22.3 -39.4 -34.1 6 7 A T E +a 194 0A 36 -2,-0.3 208,-2.2 187,-0.2 209,-1.4 -0.954 24.5 162.5-120.5 138.7 21.3 -35.9 -35.4 7 8 A T E -a 195 0A 3 187,-2.8 189,-2.0 -2,-0.4 2,-0.3 -0.539 25.0-117.7-132.5-162.9 20.6 -32.8 -33.4 8 9 A A E +a 196 0A 3 207,-0.3 209,-0.4 187,-0.3 189,-0.2 -0.973 18.9 179.5-146.8 160.3 20.4 -29.1 -34.1 9 10 A W E -a 197 0A 46 187,-2.1 189,-1.9 -2,-0.3 209,-0.1 -0.961 35.0-123.5-157.9 142.4 22.0 -25.8 -33.3 10 11 A P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 190,-0.1 0.788 93.9 18.7 -58.8 -30.9 21.2 -22.2 -34.4 11 12 A V S S- 0 0 67 187,-0.1 187,-0.1 1,-0.1 160,-0.0 -0.900 92.9 -81.4-138.6 166.7 24.7 -21.6 -35.7 12 13 A N - 0 0 22 -2,-0.3 13,-0.2 1,-0.1 -1,-0.1 -0.163 43.5-110.4 -63.2 162.5 27.8 -23.5 -36.8 13 14 A V - 0 0 2 1,-0.2 12,-1.8 182,-0.1 3,-0.4 0.747 53.9-138.3 -66.1 -26.0 30.2 -24.8 -34.2 14 15 A G - 0 0 20 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.496 44.6 -44.6 94.9-171.1 32.8 -22.2 -35.3 15 16 A P - 0 0 76 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.592 69.2-130.6 -71.7 -11.8 36.6 -22.8 -35.7 16 17 A L + 0 0 0 -3,-0.4 -2,-0.1 1,-0.2 150,-0.1 0.846 39.2 175.5 61.7 35.4 36.7 -24.7 -32.4 17 18 A N > - 0 0 4 4,-0.2 3,-1.2 1,-0.2 -1,-0.2 -0.626 24.8-148.3 -71.6 121.8 39.7 -22.6 -31.3 18 19 A P T 3 S+ 0 0 0 0, 0.0 121,-0.4 0, 0.0 -1,-0.2 0.711 92.2 44.3 -66.5 -20.6 40.3 -23.8 -27.8 19 20 A H T 3 S+ 0 0 2 117,-0.1 2,-0.3 132,-0.1 117,-0.1 0.187 102.6 75.2-113.7 18.3 41.5 -20.4 -26.6 20 21 A L < - 0 0 37 -3,-1.2 132,-0.0 1,-0.1 -4,-0.0 -0.873 58.3-151.5-127.7 161.5 39.0 -18.1 -28.2 21 22 A Y > + 0 0 26 1,-0.3 3,-2.8 -2,-0.3 -4,-0.2 0.344 54.3 60.9 -99.9-128.1 35.4 -17.1 -27.5 22 23 A T T 3 S+ 0 0 99 1,-0.4 -1,-0.3 -8,-0.1 -8,-0.0 -0.084 111.5 15.0 -43.6 134.2 32.8 -16.0 -30.0 23 24 A P T 3 S+ 0 0 74 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 -0.916 100.3 100.8 -95.2 18.8 31.9 -17.6 -32.3 24 25 A N S < S- 0 0 5 -3,-2.8 -10,-0.2 -10,-0.1 2,-0.2 -0.482 73.0-134.2 -64.5 105.5 33.4 -20.8 -30.8 25 26 A Q > - 0 0 47 -12,-1.8 4,-2.1 -2,-0.8 5,-0.2 -0.419 8.9-139.0 -63.5 129.2 30.3 -22.5 -29.3 26 27 A M H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 97.1 55.2 -57.6 -51.1 31.2 -23.7 -25.9 27 28 A F H > S+ 0 0 7 462,-0.2 4,-0.5 1,-0.2 464,-0.2 0.922 111.6 47.8 -50.1 -45.3 29.5 -27.1 -25.9 28 29 A A H >> S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 4,-1.6 0.932 108.0 52.4 -59.8 -52.4 31.4 -27.9 -29.0 29 30 A Q H 3X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.860 108.4 53.8 -52.2 -38.1 34.8 -26.8 -27.6 30 31 A S H 3< S+ 0 0 23 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.626 102.9 57.9 -73.8 -13.9 34.0 -29.1 -24.7 31 32 A M H << S+ 0 0 8 -3,-1.9 133,-1.3 -4,-0.5 -2,-0.2 0.890 117.6 28.6 -79.9 -41.4 33.5 -32.0 -27.1 32 33 A V H < S+ 0 0 3 -4,-1.6 130,-3.1 130,-0.2 2,-0.3 0.893 116.7 50.5 -86.6 -49.3 37.0 -31.8 -28.6 33 34 A Y < - 0 0 1 -4,-2.2 108,-0.1 -5,-0.2 127,-0.1 -0.698 64.5-159.7 -99.5 151.5 39.3 -30.4 -26.0 34 35 A E - 0 0 8 106,-0.3 106,-0.9 -2,-0.3 2,-0.2 -0.747 12.3-122.2-122.9 167.7 39.7 -31.5 -22.3 35 36 A P - 0 0 5 0, 0.0 14,-1.5 0, 0.0 15,-0.2 -0.598 22.8-118.5-104.9 167.9 41.1 -30.0 -19.0 36 37 A L S S+ 0 0 0 102,-0.4 14,-3.0 13,-0.2 12,-1.8 0.928 107.1 24.6 -69.7 -43.8 43.9 -31.1 -16.6 37 38 A V E S-D 47 0B 0 10,-0.2 2,-0.4 11,-0.2 -1,-0.2 -0.906 84.6-135.2-121.9 145.2 41.3 -31.5 -13.9 38 39 A K E -D 46 0B 62 8,-2.7 8,-2.2 -2,-0.3 2,-0.2 -0.901 17.2-117.0-113.0 135.5 37.5 -32.1 -14.4 39 40 A Y E -D 45 0B 25 -2,-0.4 2,-0.2 94,-0.3 6,-0.2 -0.383 25.8-158.0 -71.0 132.7 34.5 -30.4 -12.7 40 41 A Q > - 0 0 50 4,-2.7 3,-1.4 -2,-0.2 -1,-0.0 -0.700 26.5-119.6-108.0 159.3 32.0 -32.4 -10.6 41 42 A A T 3 S+ 0 0 53 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.929 112.1 64.2 -61.6 -46.4 28.4 -31.7 -9.5 42 43 A D T 3 S- 0 0 110 1,-0.2 -1,-0.3 940,-0.0 3,-0.1 0.471 123.2-108.2 -58.6 2.4 29.3 -31.6 -5.9 43 44 A G S < S+ 0 0 26 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.199 89.1 104.6 90.2 -17.2 31.4 -28.6 -6.9 44 45 A S - 0 0 52 -5,-0.1 -4,-2.7 1,-0.1 2,-0.3 0.133 63.8-123.6 -78.4-159.8 34.7 -30.5 -6.4 45 46 A V E -D 39 0B 31 -6,-0.2 -6,-0.2 -3,-0.1 85,-0.1 -0.975 9.9-152.3-149.2 155.3 36.9 -31.9 -9.1 46 47 A I E -D 38 0B 54 -8,-2.2 -8,-2.7 -2,-0.3 6,-0.1 -0.895 39.1 -88.9-126.1 156.6 38.5 -35.2 -10.1 47 48 A P E +D 37 0B 62 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.383 51.8 157.5 -66.9 146.8 41.8 -35.8 -11.9 48 49 A W S S- 0 0 56 -12,-1.8 -11,-0.2 2,-0.6 -12,-0.2 0.233 75.4 -3.5-129.2-103.2 41.5 -35.9 -15.7 49 50 A L S S+ 0 0 0 -14,-1.5 18,-1.2 17,-0.1 2,-0.8 0.892 128.9 69.4 -64.1 -39.4 44.5 -35.2 -18.0 50 51 A A E S-E 66 0C 0 -14,-3.0 -2,-0.6 16,-0.2 16,-0.3 -0.724 76.1-161.4 -79.9 112.7 46.4 -34.5 -14.8 51 52 A K E - 0 0 128 14,-2.5 2,-0.3 -2,-0.8 -1,-0.2 0.914 69.8 -30.8 -60.8 -43.0 46.6 -38.0 -13.2 52 53 A S E -E 65 0C 46 13,-1.3 13,-3.8 -3,-0.1 -1,-0.3 -0.946 68.1-147.7-166.1 164.8 47.3 -36.4 -9.8 53 54 A W E -E 64 0C 73 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.853 5.4-149.8-141.2 176.0 49.0 -33.3 -8.5 54 55 A T E -E 63 0C 86 9,-1.4 9,-3.2 -2,-0.3 2,-0.4 -0.991 12.6-151.6-146.4 149.4 51.1 -31.6 -5.8 55 56 A H E -E 62 0C 106 -2,-0.3 7,-0.2 7,-0.2 4,-0.0 -0.957 24.3-104.7-132.5 149.1 51.4 -28.1 -4.3 56 57 A S > - 0 0 43 5,-3.6 3,-3.5 -2,-0.4 7,-0.0 -0.337 36.5-117.3 -61.3 143.0 53.9 -25.9 -2.6 57 58 A E T 3 S+ 0 0 206 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.856 122.0 53.5 -51.5 -36.2 53.3 -25.6 1.1 58 59 A D T 3 S- 0 0 84 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.409 111.7-131.3 -79.8 2.9 52.8 -21.8 0.3 59 60 A G S < S+ 0 0 10 -3,-3.5 66,-0.3 2,-0.2 -2,-0.1 0.581 81.4 102.6 58.3 15.6 50.3 -23.0 -2.2 60 61 A K S S+ 0 0 88 64,-0.2 61,-2.6 1,-0.1 2,-0.5 0.748 71.1 58.7 -96.2 -28.5 51.7 -20.8 -5.1 61 62 A T E - F 0 120C 44 59,-0.3 -5,-3.6 2,-0.0 2,-0.4 -0.905 65.5-174.8-108.9 125.2 53.6 -23.6 -7.0 62 63 A W E -EF 55 119C 33 57,-5.0 57,-4.6 -2,-0.5 2,-0.5 -0.938 10.1-165.0-121.4 141.0 51.7 -26.6 -8.4 63 64 A T E -EF 54 118C 19 -9,-3.2 -9,-1.4 -2,-0.4 2,-0.3 -0.939 9.7-161.5-129.1 111.6 53.1 -29.7 -10.1 64 65 A F E -EF 53 117C 0 53,-2.8 53,-2.2 -2,-0.5 2,-0.7 -0.664 13.5-141.0 -92.8 144.3 50.7 -32.0 -12.0 65 66 A T E -EF 52 116C 44 -13,-3.8 -14,-2.5 -2,-0.3 -13,-1.3 -0.909 27.5-151.9-105.1 106.5 51.5 -35.6 -13.0 66 67 A L E -E 50 0C 5 49,-2.4 2,-0.4 -2,-0.7 -16,-0.2 -0.159 19.4-100.9 -73.6 168.9 50.0 -36.1 -16.5 67 68 A R - 0 0 68 -18,-1.2 3,-0.3 1,-0.2 -1,-0.1 -0.751 23.6-162.9 -90.0 138.3 48.8 -39.3 -18.0 68 69 A D S S+ 0 0 132 -2,-0.4 2,-2.2 1,-0.2 10,-0.2 0.874 81.9 70.2 -86.7 -41.0 51.3 -40.9 -20.4 69 70 A D S S+ 0 0 90 8,-0.1 2,-0.5 115,-0.0 -1,-0.2 -0.100 77.5 107.4 -69.9 40.6 48.7 -43.2 -22.1 70 71 A V - 0 0 5 -2,-2.2 8,-1.7 -3,-0.3 2,-0.5 -0.957 47.9-171.2-128.8 115.7 47.1 -40.2 -23.8 71 72 A K B -H 77 0D 90 -2,-0.5 4,-0.2 111,-0.3 5,-0.2 -0.894 27.0-117.3-108.4 129.0 47.5 -39.5 -27.5 72 73 A F > - 0 0 0 4,-1.7 3,-1.3 -2,-0.5 89,-0.2 -0.104 42.3 -93.8 -53.9 162.9 46.3 -36.3 -29.2 73 74 A S T 3 S+ 0 0 21 87,-1.9 2,-0.6 1,-0.3 109,-0.1 0.868 123.5 53.0 -48.1 -48.4 43.6 -36.8 -31.8 74 75 A N T 3 S- 0 0 62 1,-0.1 -1,-0.3 86,-0.1 -2,-0.1 -0.123 125.7 -94.1 -84.6 38.3 46.1 -36.9 -34.8 75 76 A G S < S+ 0 0 43 -3,-1.3 -2,-0.1 -2,-0.6 -3,-0.1 0.183 90.0 128.3 74.2 -21.7 48.3 -39.7 -33.2 76 77 A E - 0 0 61 -5,-0.2 -4,-1.7 1,-0.1 2,-0.3 -0.051 63.0-100.7 -59.4 168.0 50.6 -37.0 -31.8 77 78 A P B -H 71 0D 78 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.729 17.7-140.5-100.7 147.7 51.4 -37.2 -28.1 78 79 A F + 0 0 5 -8,-1.7 2,-0.3 -2,-0.3 -8,-0.3 -0.913 42.5 143.1-103.0 118.9 50.0 -35.1 -25.2 79 80 A D >> - 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