==== 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 4DCX . 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 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38226.0 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 . 84 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 22.5 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 5 4 2 2 3 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 0 127 0, 0.0 188,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.7 -18.6 17.2 -55.2 2 4 A D + 0 0 68 187,-0.1 188,-4.0 494,-0.1 189,-1.3 -0.025 360.0 78.3-100.3 21.8 -19.6 13.6 -54.4 3 5 A E E -a 191 0A 86 187,-0.2 2,-0.3 186,-0.2 189,-0.2 -0.995 65.1-172.9-126.2 135.7 -15.9 12.9 -54.8 4 6 A I E -a 192 0A 1 187,-2.4 189,-2.6 -2,-0.4 2,-0.4 -0.942 14.6-148.1-130.0 157.1 -13.3 13.7 -52.2 5 7 A T E +a 193 0A 35 -2,-0.3 208,-3.7 187,-0.2 209,-0.9 -0.978 26.2 158.2-124.0 130.1 -9.5 13.7 -52.0 6 8 A T E -ab 194 214A 4 187,-3.4 189,-2.8 -2,-0.4 2,-0.3 -0.552 28.1-116.8-132.9-162.7 -7.7 12.9 -48.8 7 9 A A E -a 195 0A 6 207,-0.5 209,-0.3 187,-0.3 189,-0.2 -0.970 18.9-178.3-146.1 156.8 -4.3 11.7 -47.8 8 10 A W E -a 196 0A 59 187,-2.2 189,-2.7 -2,-0.3 4,-0.0 -0.969 36.7-119.6-151.1 151.3 -2.4 8.9 -46.2 9 11 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.787 94.1 13.6 -67.7 -27.8 1.3 8.4 -45.5 10 12 A V S S- 0 0 68 187,-0.1 187,-0.1 188,-0.1 160,-0.0 -0.868 92.2 -80.8-137.0 170.0 1.5 5.2 -47.6 11 13 A N - 0 0 20 -2,-0.3 -1,-0.1 1,-0.1 157,-0.0 -0.306 48.8-109.2 -65.4 160.8 -0.5 3.2 -50.2 12 14 A V - 0 0 0 1,-0.2 12,-2.5 182,-0.1 3,-0.4 0.670 52.0-132.5 -72.2 -14.2 -3.3 1.0 -48.6 13 15 A G - 0 0 22 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.375 46.0 -46.3 86.0-171.1 -1.4 -2.2 -49.4 14 16 A P S S- 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.702 70.5-127.6 -74.3 -14.2 -2.8 -5.3 -51.0 15 17 A L + 0 0 0 -3,-0.4 -2,-0.1 1,-0.2 150,-0.1 0.904 40.0 171.4 65.9 46.0 -5.9 -5.4 -48.8 16 18 A N > - 0 0 5 4,-0.2 3,-1.0 1,-0.1 -1,-0.2 -0.799 26.6-148.8 -77.9 122.1 -5.7 -8.9 -47.6 17 19 A P T 3 S+ 0 0 0 0, 0.0 121,-0.3 0, 0.0 -1,-0.1 0.672 90.2 49.0 -71.2 -13.2 -8.4 -8.9 -44.9 18 20 A H T 3 S+ 0 0 3 117,-0.1 2,-0.2 132,-0.1 117,-0.1 0.357 100.1 69.8-110.8 1.8 -6.6 -11.4 -42.8 19 21 A L < - 0 0 38 -3,-1.0 132,-0.0 1,-0.2 -4,-0.0 -0.680 62.8-140.3-120.9 172.7 -3.1 -10.1 -42.6 20 22 A Y > + 0 0 29 1,-0.4 3,-2.4 -2,-0.2 -1,-0.2 0.423 58.4 52.7-103.4-124.2 -1.3 -7.1 -40.9 21 23 A T T 3 S+ 0 0 126 1,-0.3 -1,-0.4 -8,-0.0 3,-0.1 -0.265 108.9 22.1 -53.8 140.6 1.5 -5.0 -42.4 22 24 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.937 102.7 96.1 -96.1 14.9 1.5 -3.5 -45.0 23 25 A N S < S- 0 0 6 -3,-2.4 2,-0.5 -10,-0.1 -10,-0.2 -0.449 71.9-133.5 -63.0 126.5 -2.3 -3.6 -45.1 24 26 A Q >> - 0 0 44 -12,-2.5 4,-2.1 -2,-0.2 3,-0.7 -0.742 8.5-141.2 -85.6 123.7 -3.7 -0.3 -43.8 25 27 A M H 3> S+ 0 0 15 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.837 97.5 56.4 -54.5 -39.5 -6.5 -1.0 -41.3 26 28 A F H 3> S+ 0 0 4 1,-0.2 4,-0.8 2,-0.2 464,-0.3 0.882 109.7 46.9 -64.1 -36.9 -8.8 1.8 -42.4 27 29 A A H <> S+ 0 0 0 -3,-0.7 4,-1.8 2,-0.2 3,-0.5 0.899 109.3 52.5 -71.4 -42.6 -8.8 0.5 -46.0 28 30 A Q H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.916 110.6 50.5 -55.9 -41.2 -9.5 -3.1 -44.9 29 31 A S H < S+ 0 0 19 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.723 106.1 55.1 -70.9 -22.7 -12.4 -1.7 -42.9 30 32 A M H < S+ 0 0 4 -4,-0.8 133,-1.0 -3,-0.5 -1,-0.2 0.887 121.0 28.6 -74.3 -36.5 -13.7 0.2 -46.0 31 33 A V H < S+ 0 0 2 -4,-1.8 130,-2.4 131,-0.1 129,-0.3 0.839 116.1 54.7 -95.2 -39.1 -13.8 -3.0 -48.1 32 34 A Y < - 0 0 0 -4,-2.9 108,-0.1 -5,-0.3 127,-0.1 -0.718 65.2-154.2-106.1 152.2 -14.4 -5.9 -45.7 33 35 A E - 0 0 6 106,-0.3 106,-1.1 -2,-0.3 2,-0.1 -0.895 8.6-129.3-128.4 152.5 -17.2 -6.3 -43.2 34 36 A P - 0 0 4 0, 0.0 14,-1.6 0, 0.0 15,-0.2 -0.478 27.6-114.8 -91.2 164.4 -17.8 -8.2 -39.9 35 37 A L S S+ 0 0 1 102,-0.4 14,-2.8 96,-0.3 12,-1.6 0.854 106.2 19.8 -64.0 -36.4 -20.6 -10.5 -38.8 36 38 A V E S-K 46 0B 0 10,-0.2 2,-0.5 11,-0.2 -1,-0.2 -0.957 82.8-127.9-136.3 153.9 -21.6 -7.9 -36.2 37 39 A K E -K 45 0B 56 8,-2.9 8,-2.2 -2,-0.3 2,-0.1 -0.886 15.1-126.1-117.5 130.7 -20.8 -4.2 -36.0 38 40 A Y E -K 44 0B 22 -2,-0.5 2,-0.3 94,-0.3 6,-0.2 -0.421 26.7-158.6 -70.8 139.0 -19.3 -2.3 -33.1 39 41 A Q > - 0 0 29 4,-2.7 3,-2.5 -2,-0.1 445,-0.0 -0.840 30.2-109.9-118.3 156.5 -21.2 0.8 -31.8 40 42 A A T 3 S+ 0 0 54 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.802 115.2 62.4 -53.0 -31.1 -20.1 3.8 -29.9 41 43 A D T 3 S- 0 0 46 1,-0.1 -1,-0.3 938,-0.1 939,-0.3 0.476 120.8-105.2 -81.1 2.1 -22.1 2.6 -26.8 42 44 A G S < S+ 0 0 29 -3,-2.5 -2,-0.1 1,-0.4 -1,-0.1 0.283 87.3 107.6 97.1 -9.6 -19.9 -0.5 -26.6 43 45 A S - 0 0 37 -5,-0.1 -4,-2.7 85,-0.0 -1,-0.4 -0.275 61.9-129.3 -86.6 178.4 -22.5 -2.9 -27.9 44 46 A V E -K 38 0B 20 -6,-0.2 -6,-0.2 -3,-0.1 85,-0.1 -0.907 15.7-150.6-121.0 157.1 -22.6 -4.6 -31.3 45 47 A I E -K 37 0B 54 -8,-2.2 -8,-2.9 -2,-0.3 4,-0.2 -0.905 34.3 -83.7-119.9 157.8 -25.4 -4.8 -33.8 46 48 A P E +K 36 0B 60 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.265 58.3 152.7 -46.9 138.1 -26.4 -7.3 -36.4 47 49 A W S S- 0 0 49 -12,-1.6 -11,-0.2 2,-1.3 -12,-0.2 0.021 75.4 -4.3-135.9-105.5 -24.4 -6.8 -39.6 48 50 A L S S+ 0 0 0 -14,-1.6 18,-2.6 17,-0.1 2,-0.5 0.826 135.4 62.3 -63.1 -27.5 -23.6 -9.6 -42.0 49 51 A A E S-L 65 0C 0 -14,-2.8 -2,-1.3 16,-0.3 16,-0.3 -0.883 72.0-163.5 -94.4 128.9 -25.3 -11.7 -39.4 50 52 A K E - 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M 0 119C 39 59,-0.2 -5,-2.5 61,-0.1 2,-0.4 -0.929 61.4-176.0-114.3 125.6 -21.6 -22.8 -29.1 61 63 A W E -LM 54 118C 27 57,-3.2 57,-3.1 -2,-0.5 2,-0.5 -0.954 9.3-162.7-123.0 134.9 -22.9 -19.9 -31.2 62 64 A T E -LM 53 117C 22 -9,-2.9 -9,-2.0 -2,-0.4 2,-0.5 -0.956 7.6-162.5-121.0 118.3 -25.1 -20.0 -34.2 63 65 A F E -LM 52 116C 0 53,-3.5 53,-3.2 -2,-0.5 2,-0.7 -0.856 10.5-149.5-101.7 130.1 -25.4 -17.0 -36.5 64 66 A T E -LM 51 115C 41 -13,-2.5 -14,-2.2 -2,-0.5 -13,-1.4 -0.903 26.6-147.9 -92.9 117.0 -28.2 -16.6 -39.0 65 67 A L E -L 49 0C 1 49,-3.3 -16,-0.3 -2,-0.7 -17,-0.1 -0.531 19.3 -98.6 -87.7 151.7 -26.7 -14.7 -41.9 66 68 A R - 0 0 65 -18,-2.6 3,-0.2 -2,-0.2 -1,-0.1 -0.317 27.4-152.3 -55.7 149.9 -28.4 -12.2 -44.2 67 69 A D S S+ 0 0 123 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.380 83.6 62.9-111.7 5.1 -29.5 -13.9 -47.4 68 70 A D S S+ 0 0 81 8,-0.0 2,-0.5 2,-0.0 -1,-0.1 0.110 74.1 115.6-115.7 18.8 -29.3 -10.9 -49.7 69 71 A V - 0 0 4 8,-0.4 8,-2.6 -3,-0.2 2,-0.4 -0.786 38.2-177.1-100.0 130.8 -25.6 -10.1 -49.5 70 72 A K B -O 76 0D 125 -2,-0.5 113,-0.2 111,-0.3 5,-0.1 -0.958 29.2-116.9-121.3 141.8 -23.2 -10.3 -52.5 71 73 A F > - 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