==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-JAN-11 3QIM . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.CAVAZZA,L.MARTIN,E.LAFFLY,H.LEBRETTE,M.V.CHERRIER,L.ZEPPIE . 995 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 68.8 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 . 155 15.6 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 . 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 . 86 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 4 3 2 3 3 6 0 2 2 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 5 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 2 A A > 0 0 90 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.0 18.0 17.1 57.7 2 3 A P T 3 + 0 0 109 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.351 360.0 60.9 -75.9 10.6 19.2 17.7 54.1 3 4 A D T 3 S+ 0 0 46 495,-0.1 188,-3.7 187,-0.1 189,-1.1 0.106 93.9 72.1-120.7 12.4 19.7 13.9 53.9 4 5 A E E < -a 192 0A 87 -3,-1.7 2,-0.3 187,-0.2 189,-0.2 -0.996 64.3-174.6-126.4 126.1 16.0 13.1 54.5 5 6 A I E -a 193 0A 1 187,-2.2 189,-2.2 -2,-0.4 2,-0.4 -0.850 14.5-150.0-118.9 157.8 13.4 13.8 51.8 6 7 A T E +a 194 0A 37 -2,-0.3 208,-3.4 187,-0.2 209,-1.0 -0.995 24.8 160.5-126.5 128.9 9.6 13.7 51.6 7 8 A T E -a 195 0A 5 187,-3.2 189,-2.8 -2,-0.4 2,-0.3 -0.542 26.7-120.5-130.0-163.5 7.8 12.9 48.4 8 9 A A E -a 196 0A 5 207,-0.4 209,-0.3 187,-0.3 189,-0.2 -0.968 16.2-173.4-147.6 157.9 4.3 11.6 47.5 9 10 A W E -a 197 0A 56 187,-2.1 189,-2.3 -2,-0.3 4,-0.0 -0.985 36.5-119.2-150.3 146.5 2.5 8.7 45.7 10 11 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.870 96.2 12.6 -64.0 -28.0 -1.1 8.3 44.9 11 12 A V S S- 0 0 69 187,-0.1 187,-0.1 1,-0.1 160,-0.0 -0.846 92.6 -80.2-133.2 169.2 -1.3 5.1 47.1 12 13 A N - 0 0 20 -2,-0.3 -1,-0.1 1,-0.1 159,-0.1 -0.156 48.9-107.5 -58.4 162.9 0.8 3.1 49.7 13 14 A V - 0 0 0 1,-0.2 12,-2.6 182,-0.1 3,-0.3 0.638 51.2-130.4 -79.8 -11.0 3.6 1.0 48.3 14 15 A G - 0 0 21 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.359 46.0 -48.2 88.5-176.8 1.9 -2.4 48.9 15 16 A P S S- 0 0 76 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.643 70.6-128.1 -62.9 -20.0 3.2 -5.6 50.6 16 17 A L + 0 0 0 -3,-0.3 -2,-0.1 1,-0.2 150,-0.1 0.869 42.9 169.4 61.8 40.7 6.4 -5.4 48.6 17 18 A N > - 0 0 3 4,-0.2 3,-0.9 1,-0.1 -1,-0.2 -0.758 28.8-149.0 -68.2 120.6 6.3 -8.9 47.3 18 19 A P T 3 S+ 0 0 1 0, 0.0 121,-0.3 0, 0.0 -1,-0.1 0.677 92.1 49.5 -70.3 -12.9 9.0 -8.9 44.6 19 20 A H T 3 S+ 0 0 3 117,-0.1 2,-0.2 132,-0.1 117,-0.1 0.410 101.6 65.3-109.6 2.8 7.1 -11.6 42.7 20 21 A L < - 0 0 43 -3,-0.9 2,-0.0 1,-0.2 132,-0.0 -0.587 62.7-141.9-119.2-178.6 3.5 -10.2 42.5 21 22 A Y > + 0 0 18 1,-0.4 3,-2.7 -2,-0.2 -4,-0.2 0.179 54.5 52.1-117.9-133.4 1.8 -7.1 40.9 22 23 A T T 3 S+ 0 0 125 1,-0.3 -1,-0.4 -8,-0.1 3,-0.1 -0.169 110.6 23.8 -50.6 139.4 -1.1 -4.8 42.2 23 24 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.938 104.9 96.0 -85.6 11.6 -1.2 -3.4 44.8 24 25 A N S < S- 0 0 6 -3,-2.7 2,-0.5 -10,-0.1 -10,-0.2 -0.469 71.8-138.5 -61.8 126.4 2.7 -3.7 44.8 25 26 A Q >> - 0 0 47 -12,-2.6 4,-1.8 -2,-0.2 3,-0.6 -0.784 4.5-141.2 -92.5 129.0 4.1 -0.4 43.4 26 27 A M H 3> S+ 0 0 36 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.789 96.9 58.1 -62.1 -35.0 7.0 -1.0 41.1 27 28 A F H 3> S+ 0 0 4 1,-0.2 4,-0.9 2,-0.2 464,-0.3 0.925 109.7 47.3 -61.8 -37.0 9.2 1.9 42.1 28 29 A A H X> S+ 0 0 0 -3,-0.6 4,-1.5 1,-0.2 3,-0.5 0.902 108.8 52.4 -73.8 -40.2 9.2 0.5 45.7 29 30 A Q H 3X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.3 -1,-0.2 0.898 109.9 50.4 -61.1 -40.7 10.0 -3.1 44.6 30 31 A S H 3< S+ 0 0 19 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.727 104.8 57.8 -71.0 -22.8 12.9 -1.7 42.7 31 32 A M H << S+ 0 0 8 -4,-0.9 133,-1.3 -3,-0.5 -1,-0.2 0.891 120.4 27.0 -69.6 -36.5 14.2 0.2 45.8 32 33 A V H < S+ 0 0 2 -4,-1.5 130,-2.5 131,-0.2 2,-0.3 0.792 117.3 57.1 -99.1 -37.6 14.4 -2.9 47.9 33 34 A Y < - 0 0 1 -4,-2.8 108,-0.1 -5,-0.2 127,-0.1 -0.787 64.1-157.3-108.5 150.7 15.0 -5.8 45.4 34 35 A E - 0 0 8 -2,-0.3 106,-1.1 106,-0.3 2,-0.1 -0.849 8.9-129.4-127.4 157.1 17.7 -6.2 42.9 35 36 A P - 0 0 4 0, 0.0 14,-1.3 0, 0.0 15,-0.2 -0.435 25.5-116.3 -96.4 170.9 18.3 -8.1 39.6 36 37 A L S S+ 0 0 1 96,-0.5 14,-2.6 102,-0.4 12,-1.4 0.829 105.4 22.8 -69.6 -36.3 21.1 -10.4 38.5 37 38 A V E S-D 47 0B 0 95,-0.3 2,-0.4 10,-0.2 -1,-0.2 -0.980 82.5-131.8-133.4 145.9 22.0 -7.9 35.8 38 39 A K E -D 46 0B 47 8,-2.8 8,-2.6 -2,-0.4 2,-0.2 -0.864 14.9-127.9-110.3 133.4 21.3 -4.2 35.6 39 40 A Y E -D 45 0B 17 -2,-0.4 2,-0.3 94,-0.3 6,-0.2 -0.500 24.8-161.7 -77.5 137.3 19.8 -2.3 32.6 40 41 A Q > - 0 0 27 4,-2.6 3,-2.3 -2,-0.2 445,-0.0 -0.847 32.6-108.2-116.5 158.2 21.6 0.9 31.4 41 42 A A T 3 S+ 0 0 57 -2,-0.3 941,-0.1 1,-0.3 -1,-0.1 0.784 114.6 63.7 -53.7 -29.6 20.4 3.8 29.2 42 43 A D T 3 S- 0 0 27 1,-0.1 -1,-0.3 939,-0.1 940,-0.2 0.478 118.6-106.1 -80.7 -0.5 22.5 2.6 26.3 43 44 A G S < S+ 0 0 26 -3,-2.3 -2,-0.1 1,-0.4 -1,-0.1 0.173 85.4 109.9 102.1 -18.5 20.5 -0.6 26.0 44 45 A S - 0 0 36 -5,-0.1 -4,-2.6 85,-0.0 -1,-0.4 -0.347 62.0-131.0 -80.0 165.6 23.1 -3.0 27.5 45 46 A V E -D 39 0B 26 -6,-0.2 -6,-0.2 -3,-0.1 85,-0.1 -0.883 19.9-152.6-107.3 151.5 22.9 -4.7 30.8 46 47 A I E -D 38 0B 54 -8,-2.6 -8,-2.8 -2,-0.3 4,-0.2 -0.840 32.3 -82.7-115.0 160.4 25.8 -4.7 33.3 47 48 A P E +D 37 0B 50 0, 0.0 4,-0.2 0, 0.0 -10,-0.2 -0.292 58.4 150.6 -54.7 144.0 26.9 -7.1 36.0 48 49 A W S S- 0 0 44 -12,-1.4 -11,-0.2 2,-1.3 -12,-0.2 0.009 77.0 -6.0-139.5-108.6 25.0 -6.7 39.2 49 50 A L S S+ 0 0 0 -14,-1.3 18,-2.3 1,-0.1 2,-0.6 0.825 136.2 61.2 -62.5 -29.7 24.3 -9.5 41.6 50 51 A A E S-E 66 0C 0 -14,-2.6 -2,-1.3 16,-0.2 16,-0.3 -0.880 71.1-167.2 -94.7 118.6 25.8 -11.6 38.8 51 52 A K E - 0 0 127 14,-1.2 2,-0.3 -2,-0.6 15,-0.2 0.852 69.1 -10.1 -76.3 -28.7 29.4 -10.6 38.2 52 53 A S E -E 65 0C 55 13,-1.9 13,-2.6 -6,-0.1 2,-0.3 -0.957 60.5-166.0-157.9 172.7 29.6 -12.6 35.0 53 54 A W E -E 64 0C 59 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.983 5.0-164.5-162.9 156.4 27.9 -15.1 32.8 54 55 A T E -E 63 0C 95 9,-2.3 9,-2.5 -2,-0.3 2,-0.3 -0.904 11.3-150.7-137.8 161.4 28.3 -17.5 29.8 55 56 A H E -E 62 0C 105 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.978 22.6-102.0-138.0 154.4 25.9 -19.4 27.5 56 57 A S > - 0 0 37 5,-2.5 3,-1.4 -2,-0.3 -1,-0.0 -0.104 39.1 -99.3 -68.6 166.3 26.0 -22.6 25.6 57 58 A E T 3 S+ 0 0 214 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.934 126.4 45.5 -50.2 -50.9 26.5 -23.0 21.8 58 59 A D T 3 S- 0 0 85 1,-0.1 -1,-0.3 65,-0.0 66,-0.1 0.540 109.0-125.7 -76.8 -5.5 22.7 -23.4 21.3 59 60 A G S < S+ 0 0 13 -3,-1.4 66,-0.2 2,-0.2 -2,-0.1 0.678 83.8 104.0 70.5 19.6 21.9 -20.4 23.6 60 61 A K + 0 0 85 1,-0.2 61,-3.1 64,-0.1 2,-0.5 0.615 68.5 60.6-102.2 -20.1 19.6 -22.4 25.8 61 62 A T E - F 0 120C 40 59,-0.2 -5,-2.5 2,-0.0 2,-0.4 -0.956 63.3-176.5-115.5 124.6 21.8 -22.9 28.9 62 63 A W E -EF 55 119C 28 57,-2.8 57,-3.2 -2,-0.5 2,-0.5 -0.974 8.4-162.9-122.4 132.2 23.1 -19.9 30.8 63 64 A T E -EF 54 118C 24 -9,-2.5 -9,-2.3 -2,-0.4 2,-0.4 -0.969 6.5-163.1-117.9 126.1 25.5 -20.0 33.7 64 65 A F E -EF 53 117C 0 53,-3.1 53,-2.9 -2,-0.5 2,-0.6 -0.900 11.5-148.0-110.4 132.6 25.9 -17.0 36.0 65 66 A T E -EF 52 116C 41 -13,-2.6 -13,-1.9 -2,-0.4 -14,-1.2 -0.924 27.0-148.5 -96.1 120.1 28.8 -16.5 38.4 66 67 A L E -E 50 0C 4 49,-2.5 -16,-0.2 -2,-0.6 -17,-0.1 -0.645 18.0-101.4 -90.2 146.9 27.4 -14.5 41.4 67 68 A R - 0 0 72 -18,-2.3 3,-0.2 -2,-0.3 -1,-0.1 -0.252 26.7-150.3 -48.7 150.1 29.1 -12.0 43.6 68 69 A D S S+ 0 0 139 1,-0.1 -1,-0.1 11,-0.1 -19,-0.0 0.249 81.8 64.7-114.5 14.7 30.1 -13.6 46.9 69 70 A D S S+ 0 0 79 8,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.195 71.3 116.9-120.9 12.6 29.9 -10.6 49.3 70 71 A V - 0 0 4 8,-0.4 8,-2.5 -3,-0.2 2,-0.4 -0.718 38.0-174.7 -95.5 130.2 26.2 -9.8 49.1 71 72 A K B -H 77 0D 104 -2,-0.4 113,-0.3 111,-0.3 5,-0.1 -0.944 27.5-119.2-115.0 146.2 23.9 -10.0 52.1 72 73 A F > - 0 0 2 4,-2.7 3,-2.1 -2,-0.4 89,-0.2 -0.351 44.3-100.9 -63.1 158.9 20.1 -9.5 52.4 73 74 A S T 3 S+ 0 0 35 87,-2.3 -1,-0.1 1,-0.3 88,-0.1 0.616 123.3 61.7 -67.3 -12.4 19.3 -6.6 54.7 74 75 A N T 3 S- 0 0 60 86,-0.2 -1,-0.3 2,-0.1 87,-0.1 0.231 122.1-103.3 -97.3 11.3 18.5 -9.1 57.5 75 76 A G S < S+ 0 0 34 -3,-2.1 -2,-0.1 1,-0.3 0, 0.0 0.239 79.4 130.8 89.3 -12.5 22.1 -10.4 57.4 76 77 A E - 0 0 72 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.384 62.4-100.6 -73.4 150.1 21.4 -13.7 55.5 77 78 A P B -H 71 0D 77 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.458 18.8-141.4 -71.9 139.5 23.7 -14.5 52.5 78 79 A F + 0 0 5 -8,-2.5 -8,-0.4 -2,-0.1 2,-0.3 -0.917 45.7 141.6 -86.4 125.3 22.7 -13.9 48.9 79 80 A D > - 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