==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 05-DEC-12 4I9D . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.V.CHERRIER,P.AMARA,M.IANNELLO,C.CAVAZZA . 997 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 676 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 0 7 2 2 2 2 7 0 3 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 5 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 4 0 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 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 0 146 0, 0.0 3,-0.0 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 -31.8 -18.9 17.3 -54.6 2 4 A D + 0 0 48 495,-0.1 188,-3.6 494,-0.1 189,-1.0 -0.133 360.0 78.8-122.8 23.3 -19.6 13.7 -53.8 3 5 A E E -a 191 0A 102 187,-0.2 2,-0.3 186,-0.2 189,-0.2 -0.996 63.0-170.5-127.5 137.8 -16.0 12.8 -54.3 4 6 A I E -a 192 0A 3 187,-2.2 189,-2.7 -2,-0.4 2,-0.4 -0.887 15.2-150.0-126.8 156.8 -13.2 13.5 -51.8 5 7 A T E +a 193 0A 37 -2,-0.3 208,-3.3 187,-0.2 209,-0.9 -0.994 28.3 155.9-122.2 133.8 -9.5 13.4 -51.7 6 8 A T E -a 194 0A 3 187,-3.5 189,-2.7 -2,-0.4 2,-0.3 -0.518 28.7-117.3-137.7-162.0 -7.7 12.6 -48.5 7 9 A A E -a 195 0A 5 207,-0.5 209,-0.3 187,-0.3 189,-0.2 -0.985 16.5-174.1-146.0 160.9 -4.3 11.2 -47.5 8 10 A W E -a 196 0A 54 187,-2.0 189,-2.5 -2,-0.3 4,-0.0 -0.971 36.3-119.3-150.3 152.9 -2.7 8.4 -45.7 9 11 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.763 96.9 12.9 -72.0 -21.3 1.0 7.9 -44.8 10 12 A V S S- 0 0 69 187,-0.1 187,-0.1 185,-0.1 160,-0.0 -0.885 95.5 -80.5-140.0 165.8 1.2 4.7 -46.9 11 13 A N - 0 0 18 -2,-0.3 163,-0.1 1,-0.1 -1,-0.1 -0.274 47.2-109.4 -62.0 164.1 -0.9 2.8 -49.5 12 14 A V - 0 0 0 1,-0.2 12,-2.3 182,-0.1 3,-0.3 0.705 52.8-130.3 -76.6 -12.0 -3.7 0.8 -48.1 13 15 A G - 0 0 15 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.446 43.8 -49.2 92.5-173.5 -2.0 -2.5 -48.9 14 16 A P - 0 0 75 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.633 69.4-127.3 -72.8 -16.7 -3.4 -5.6 -50.7 15 17 A L + 0 0 0 -3,-0.3 -2,-0.1 1,-0.3 150,-0.1 0.883 41.5 170.6 62.3 45.7 -6.5 -5.6 -48.5 16 18 A N > - 0 0 4 4,-0.2 3,-1.1 1,-0.1 -1,-0.3 -0.761 28.1-147.2 -73.6 121.4 -6.3 -9.2 -47.5 17 19 A P T 3 S+ 0 0 1 0, 0.0 121,-0.3 0, 0.0 -1,-0.1 0.670 90.9 47.8 -68.3 -14.7 -9.0 -9.3 -44.8 18 20 A H T 3 S+ 0 0 3 117,-0.1 2,-0.2 132,-0.1 117,-0.1 0.315 100.7 70.7-114.4 7.6 -7.1 -11.8 -42.7 19 21 A L < - 0 0 39 -3,-1.1 132,-0.0 1,-0.2 70,-0.0 -0.658 62.6-141.4-120.3 175.5 -3.5 -10.4 -42.6 20 22 A Y > + 0 0 3 1,-0.4 3,-2.8 -2,-0.2 -1,-0.2 0.234 55.9 48.2-113.7-128.0 -1.8 -7.5 -40.9 21 23 A T T 3 S+ 0 0 98 1,-0.3 -1,-0.4 -8,-0.1 3,-0.1 -0.193 108.0 27.5 -62.2 146.0 0.9 -5.3 -42.2 22 24 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.919 105.1 91.7 -90.2 16.2 1.1 -3.8 -44.8 23 25 A N S < S- 0 0 5 -3,-2.8 2,-0.4 -10,-0.1 -10,-0.2 -0.507 74.1-133.5 -65.2 138.7 -2.8 -3.9 -44.8 24 26 A Q >> - 0 0 40 -12,-2.3 4,-2.4 -2,-0.2 3,-0.8 -0.801 7.8-141.2 -99.8 125.6 -4.2 -0.7 -43.2 25 27 A M H 3> S+ 0 0 13 -2,-0.4 4,-2.5 1,-0.3 -1,-0.1 0.837 98.7 55.3 -60.5 -40.5 -7.0 -1.6 -40.8 26 28 A F H 3> S+ 0 0 6 1,-0.2 4,-0.7 2,-0.2 464,-0.3 0.878 110.2 47.1 -65.4 -26.1 -9.3 1.3 -41.7 27 29 A A H X> S+ 0 0 0 -3,-0.8 4,-1.4 2,-0.2 3,-0.5 0.889 109.0 53.4 -80.0 -43.7 -9.2 0.2 -45.4 28 30 A Q H 3X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 3,-0.4 0.926 109.2 52.2 -51.1 -40.5 -9.9 -3.5 -44.5 29 31 A S H 3< S+ 0 0 18 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.771 103.3 56.0 -73.8 -17.6 -12.9 -2.0 -42.6 30 32 A M H << S+ 0 0 2 -4,-0.7 133,-1.4 -3,-0.5 -1,-0.2 0.836 120.0 29.2 -76.9 -31.2 -14.2 -0.1 -45.7 31 33 A V H < S+ 0 0 2 -4,-1.4 130,-2.7 -3,-0.4 2,-0.3 0.795 117.2 54.5 -98.9 -36.3 -14.3 -3.2 -47.9 32 34 A Y < - 0 0 1 -4,-2.7 108,-0.1 -5,-0.3 127,-0.1 -0.755 64.7-156.9-112.6 150.8 -15.0 -6.1 -45.4 33 35 A E - 0 0 6 106,-0.3 106,-1.2 -2,-0.3 2,-0.2 -0.871 9.4-126.8-128.7 157.3 -17.7 -6.6 -42.9 34 36 A P - 0 0 0 0, 0.0 14,-1.6 0, 0.0 15,-0.2 -0.507 26.4-115.5 -95.4 165.8 -18.3 -8.5 -39.6 35 37 A L S S+ 0 0 0 102,-0.4 14,-2.7 96,-0.4 12,-1.4 0.868 106.8 19.9 -64.2 -38.2 -21.1 -10.8 -38.5 36 38 A V E S-D 46 0B 0 10,-0.2 2,-0.5 11,-0.2 -1,-0.2 -0.961 82.7-129.7-136.3 150.3 -22.0 -8.2 -35.8 37 39 A K E -D 45 0B 57 8,-2.9 8,-2.4 -2,-0.3 2,-0.1 -0.882 18.4-124.3-114.7 124.1 -21.2 -4.5 -35.6 38 40 A Y E -D 44 0B 23 -2,-0.5 2,-0.3 94,-0.3 6,-0.2 -0.445 25.4-156.3 -65.0 137.6 -19.7 -2.7 -32.6 39 41 A Q > - 0 0 33 4,-3.0 3,-2.4 -2,-0.1 445,-0.0 -0.808 30.3-109.1-114.7 155.5 -21.6 0.3 -31.2 40 42 A A T 3 S+ 0 0 59 1,-0.3 941,-0.1 -2,-0.3 -1,-0.1 0.791 117.0 62.4 -53.0 -31.9 -20.3 3.3 -29.1 41 43 A D T 3 S- 0 0 43 1,-0.1 -1,-0.3 939,-0.1 940,-0.1 0.490 120.3-106.6 -75.1 -2.0 -22.1 1.9 -26.1 42 44 A G S < S+ 0 0 26 -3,-2.4 -2,-0.1 1,-0.4 2,-0.1 0.311 86.9 109.4 96.0 -8.2 -20.0 -1.3 -26.1 43 45 A S - 0 0 33 -5,-0.0 -4,-3.0 85,-0.0 -1,-0.4 -0.433 61.1-133.4 -83.5 175.1 -22.8 -3.5 -27.4 44 46 A V E -D 38 0B 21 -6,-0.2 -6,-0.2 -2,-0.1 85,-0.1 -0.876 14.0-150.0-119.0 161.5 -22.9 -5.0 -30.9 45 47 A I E -D 37 0B 58 -8,-2.4 -8,-2.9 -2,-0.3 4,-0.2 -0.899 35.3 -80.5-120.3 158.5 -25.8 -5.1 -33.2 46 48 A P E +D 36 0B 61 0, 0.0 4,-0.2 0, 0.0 -10,-0.2 -0.152 58.1 153.2 -44.4 142.2 -26.8 -7.6 -35.9 47 49 A W S S- 0 0 49 2,-1.5 -11,-0.2 -12,-1.4 -12,-0.2 -0.003 76.0 -8.3-142.7-109.5 -24.9 -7.0 -39.1 48 50 A L S S+ 0 0 0 -14,-1.6 18,-2.8 17,-0.1 2,-0.6 0.825 135.2 63.7 -65.3 -25.1 -24.3 -9.8 -41.6 49 51 A A E S-E 65 0C 0 -14,-2.7 -2,-1.5 16,-0.3 16,-0.3 -0.882 72.6-165.7 -89.2 126.2 -25.7 -12.0 -38.9 50 52 A K E - 0 0 118 14,-2.0 2,-0.3 -2,-0.6 15,-0.2 0.818 68.6 -16.8 -78.5 -33.7 -29.4 -11.1 -38.3 51 53 A S E -E 64 0C 55 13,-1.4 13,-2.9 -6,-0.1 2,-0.3 -0.968 60.8-157.7-163.7 170.7 -29.6 -12.9 -35.0 52 54 A W E -E 63 0C 65 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.991 4.3-158.3-158.4 157.6 -27.9 -15.6 -32.9 53 55 A T E -E 62 0C 91 9,-2.0 9,-2.7 -2,-0.3 2,-0.3 -0.904 12.3-155.0-131.2 157.5 -28.5 -18.1 -30.0 54 56 A H E -E 61 0C 110 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.982 22.3-105.0-134.9 156.9 -26.1 -19.7 -27.6 55 57 A S > - 0 0 35 5,-2.6 3,-1.8 -2,-0.3 7,-0.0 -0.167 37.5-105.7 -68.0 163.8 -26.0 -22.8 -25.6 56 58 A E T 3 S+ 0 0 188 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.864 121.7 53.3 -63.3 -33.0 -26.6 -22.8 -21.9 57 59 A D T 3 S- 0 0 81 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.394 110.1-124.1 -83.7 1.7 -22.8 -23.5 -21.2 58 60 A G S < S+ 0 0 10 -3,-1.8 66,-0.2 2,-0.2 -2,-0.1 0.524 85.8 101.8 73.5 6.6 -21.9 -20.4 -23.4 59 61 A K + 0 0 84 64,-0.1 61,-2.7 1,-0.1 2,-0.5 0.730 67.6 57.5 -99.9 -25.2 -19.7 -22.5 -25.7 60 62 A T E - F 0 119C 42 59,-0.2 -5,-2.6 2,-0.0 2,-0.4 -0.926 63.1-176.1-115.3 126.8 -21.8 -23.2 -28.8 61 63 A W E -EF 54 118C 29 57,-3.1 57,-3.2 -2,-0.5 2,-0.5 -0.969 9.5-161.8-123.5 137.9 -23.3 -20.2 -30.8 62 64 A T E -EF 53 117C 23 -9,-2.7 -9,-2.0 -2,-0.4 2,-0.4 -0.965 7.9-161.9-124.7 117.8 -25.6 -20.3 -33.8 63 65 A F E -EF 52 116C 0 53,-3.0 53,-2.9 -2,-0.5 2,-0.6 -0.833 11.4-147.4 -99.7 133.8 -25.9 -17.3 -36.1 64 66 A T E -EF 51 115C 35 -13,-2.9 -14,-2.0 -2,-0.4 -13,-1.4 -0.897 27.3-149.3 -94.2 120.9 -28.7 -16.8 -38.5 65 67 A L E -E 49 0C 2 49,-3.1 -16,-0.3 -2,-0.6 -17,-0.1 -0.520 18.9 -98.5 -93.5 151.0 -27.3 -14.9 -41.4 66 68 A R - 0 0 69 -18,-2.8 3,-0.1 -2,-0.2 -1,-0.1 -0.314 26.4-154.6 -49.0 145.6 -28.9 -12.4 -43.8 67 69 A D S S+ 0 0 131 1,-0.1 -1,-0.1 11,-0.1 -19,-0.0 0.337 81.1 63.8-110.4 8.7 -30.0 -14.0 -47.0 68 70 A D S S+ 0 0 72 8,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.228 72.3 115.2-116.4 15.8 -29.8 -10.9 -49.2 69 71 A V - 0 0 1 8,-0.4 8,-2.4 -3,-0.1 2,-0.4 -0.732 39.9-169.7-102.9 134.2 -26.2 -10.0 -49.2 70 72 A K B -H 76 0D 105 -2,-0.4 113,-0.2 111,-0.3 5,-0.1 -0.955 25.0-121.8-115.2 136.3 -23.9 -10.1 -52.2 71 73 A F > - 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