==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-MAY-10 3MVY . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.CAVAZZA,C.BOCHOT,P.ROUSSELOT-PAILLEY,P.CARPENTIER,M.V.CHER . 995 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 68.3 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 . 155 15.6 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 82 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 12.2 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 . 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 4 1 7 1 2 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 . 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 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 2 A A > 0 0 98 0, 0.0 3,-0.7 0, 0.0 191,-0.0 0.000 360.0 360.0 360.0 -29.5 16.3 16.3 58.0 2 3 A P T 3 + 0 0 113 0, 0.0 3,-0.0 0, 0.0 188,-0.0 0.694 360.0 34.8 -82.0 -18.2 19.0 17.4 55.3 3 4 A D T 3 S+ 0 0 59 187,-0.1 188,-3.3 494,-0.1 189,-1.1 0.022 107.0 83.7-118.4 22.0 19.6 13.8 54.1 4 5 A E E < -a 192 0A 74 -3,-0.7 2,-0.3 187,-0.2 189,-0.2 -0.992 61.1-166.1-121.7 132.1 15.9 12.7 54.6 5 6 A I E -a 193 0A 3 187,-2.7 189,-2.8 -2,-0.4 2,-0.4 -0.907 13.9-149.6-123.1 151.8 13.3 13.4 51.9 6 7 A T E +a 194 0A 36 -2,-0.3 208,-2.9 187,-0.2 209,-1.1 -0.952 28.6 156.2-114.1 138.5 9.5 13.3 51.7 7 8 A T E -ab 195 215A 2 187,-3.3 189,-3.2 -2,-0.4 2,-0.3 -0.727 28.3-115.6-146.4-168.7 7.7 12.5 48.5 8 9 A A E -a 196 0A 5 207,-0.6 209,-0.3 187,-0.3 189,-0.2 -0.942 17.3-175.9-144.9 155.0 4.4 11.1 47.3 9 10 A W E -a 197 0A 53 187,-2.3 189,-2.3 -2,-0.3 4,-0.1 -0.977 35.5-120.7-148.4 152.0 2.7 8.3 45.6 10 11 A P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.707 95.4 7.3 -69.6 -23.1 -1.0 7.7 44.6 11 12 A V S S- 0 0 71 187,-0.1 187,-0.1 1,-0.1 160,-0.0 -0.893 95.9 -75.6-142.9 169.8 -1.3 4.5 46.7 12 13 A N - 0 0 19 -2,-0.3 163,-0.1 1,-0.1 -1,-0.1 -0.166 44.7-111.0 -59.6 164.8 0.8 2.6 49.2 13 14 A V - 0 0 0 1,-0.2 12,-2.4 11,-0.1 3,-0.4 0.638 53.3-130.2 -76.0 -12.8 3.7 0.5 47.9 14 15 A G - 0 0 15 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.254 44.2 -51.8 87.9 178.9 2.0 -2.7 48.8 15 16 A P S S- 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.651 71.2-125.9 -64.2 -16.7 3.4 -5.7 50.8 16 17 A L + 0 0 0 -3,-0.4 -2,-0.1 1,-0.3 150,-0.1 0.933 42.0 171.5 66.8 46.5 6.5 -5.8 48.5 17 18 A N > - 0 0 5 4,-0.2 3,-0.8 1,-0.1 -1,-0.3 -0.804 28.6-145.6 -75.7 126.7 6.3 -9.3 47.5 18 19 A P T 3 S+ 0 0 0 0, 0.0 121,-0.2 0, 0.0 -1,-0.1 0.681 91.3 48.1 -71.6 -13.6 8.9 -9.5 44.8 19 20 A H T 3 S+ 0 0 3 117,-0.1 2,-0.2 132,-0.1 132,-0.1 0.338 99.5 71.0-112.6 3.2 7.0 -12.0 42.8 20 21 A L < - 0 0 42 -3,-0.8 2,-0.0 1,-0.1 132,-0.0 -0.721 65.3-133.8-118.5 173.1 3.4 -10.6 42.6 21 22 A Y > + 0 0 18 1,-0.3 3,-2.1 -2,-0.2 -4,-0.2 0.079 54.8 31.3-106.9-149.6 1.7 -7.8 40.9 22 23 A T T 3 S+ 0 0 118 1,-0.3 -1,-0.3 -8,-0.1 3,-0.1 -0.132 109.8 36.2 -48.2 135.2 -0.7 -5.0 41.9 23 24 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.967 103.3 87.4 -89.0 1.3 -1.0 -3.7 44.6 24 25 A N S < S- 0 0 5 -3,-2.1 2,-0.5 -10,-0.1 -10,-0.2 -0.381 78.5-134.5 -55.1 133.2 2.8 -4.0 44.8 25 26 A Q >> - 0 0 38 -12,-2.4 4,-2.3 1,-0.1 3,-1.2 -0.843 4.8-141.3 -96.0 126.0 4.3 -0.9 43.1 26 27 A M H 3> S+ 0 0 35 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.847 99.9 54.4 -55.3 -39.7 7.2 -1.8 40.8 27 28 A F H 34 S+ 0 0 6 1,-0.2 4,-0.4 2,-0.2 464,-0.3 0.831 111.3 46.9 -66.1 -30.0 9.4 1.2 41.7 28 29 A A H X> S+ 0 0 0 -3,-1.2 4,-1.4 2,-0.2 3,-0.6 0.891 109.4 52.9 -75.7 -41.3 9.1 0.1 45.3 29 30 A Q H 3X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 3,-0.2 0.885 108.4 52.3 -57.8 -40.7 9.9 -3.5 44.5 30 31 A S H 3< S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.689 103.4 57.9 -70.4 -17.8 13.0 -2.2 42.6 31 32 A M H <4 S+ 0 0 3 -3,-0.6 133,-1.6 -4,-0.4 -1,-0.2 0.866 119.1 28.5 -80.3 -30.3 14.1 -0.3 45.7 32 33 A V H < S+ 0 0 1 -4,-1.4 130,-2.4 -3,-0.2 129,-0.4 0.838 117.0 55.5 -97.6 -34.3 14.2 -3.4 47.8 33 34 A Y < - 0 0 0 -4,-3.0 -1,-0.1 -5,-0.2 108,-0.1 -0.819 63.2-155.0-113.6 145.1 14.9 -6.2 45.4 34 35 A E - 0 0 7 -2,-0.4 106,-1.1 106,-0.3 2,-0.2 -0.738 8.7-134.2-115.3 154.0 17.8 -6.7 42.9 35 36 A P - 0 0 2 0, 0.0 14,-1.5 0, 0.0 15,-0.2 -0.577 27.3-113.1 -99.0 167.5 18.3 -8.7 39.6 36 37 A L S S+ 0 0 1 102,-0.4 14,-2.6 96,-0.4 12,-1.1 0.905 106.3 23.4 -63.4 -41.8 21.1 -10.9 38.5 37 38 A V E S-K 47 0B 0 95,-0.2 2,-0.4 92,-0.2 -1,-0.2 -0.970 81.8-131.4-132.1 144.6 22.0 -8.4 35.8 38 39 A K E -K 46 0B 62 8,-1.9 8,-2.0 -2,-0.3 95,-0.1 -0.813 17.3-125.3-108.3 128.1 21.2 -4.6 35.7 39 40 A Y E -K 45 0B 20 -2,-0.4 2,-0.3 94,-0.4 6,-0.2 -0.334 26.6-153.8 -66.3 142.9 19.7 -2.7 32.7 40 41 A Q > - 0 0 27 4,-3.0 3,-1.9 446,-0.1 -1,-0.0 -0.802 27.9-110.4-118.2 165.6 21.6 0.3 31.3 41 42 A A T 3 S+ 0 0 55 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.837 115.6 60.1 -58.5 -29.2 20.5 3.5 29.4 42 43 A D T 3 S- 0 0 48 1,-0.1 -1,-0.3 2,-0.1 940,-0.2 0.295 121.5-102.0 -89.9 8.5 22.2 2.2 26.4 43 44 A G S < S+ 0 0 34 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.335 87.6 107.1 91.1 -6.4 20.1 -0.9 26.1 44 45 A S - 0 0 36 -5,-0.0 -4,-3.0 85,-0.0 -1,-0.3 -0.453 62.4-128.8 -94.4 172.1 22.6 -3.3 27.5 45 46 A V E -K 39 0B 28 -6,-0.2 -6,-0.2 -2,-0.1 85,-0.1 -0.884 19.1-159.6-110.5 153.8 22.8 -5.1 30.8 46 47 A I E -K 38 0B 54 -8,-2.0 -8,-1.9 -2,-0.3 0, 0.0 -0.812 36.5 -76.0-119.8 166.5 25.9 -5.1 33.1 47 48 A P E +K 37 0B 66 0, 0.0 4,-0.2 0, 0.0 -10,-0.2 -0.299 59.4 148.3 -57.3 148.6 26.9 -7.5 35.9 48 49 A W S S- 0 0 42 2,-2.2 -11,-0.2 -12,-1.1 -12,-0.2 -0.168 75.5 -4.4-145.3-113.8 25.0 -7.1 39.2 49 50 A L S S+ 0 0 0 -14,-1.5 18,-2.6 -2,-0.1 2,-0.5 0.857 135.4 58.4 -58.2 -34.7 24.2 -10.0 41.6 50 51 A A E S-L 66 0C 0 -14,-2.6 -2,-2.2 16,-0.3 16,-0.3 -0.860 72.0-167.2 -90.0 130.4 25.8 -12.2 39.0 51 52 A K E - 0 0 128 14,-2.7 2,-0.3 -2,-0.5 15,-0.2 0.609 69.8 -3.3 -93.0 -12.0 29.3 -11.1 38.3 52 53 A S E -L 65 0C 47 13,-1.5 13,-4.0 -3,-0.1 2,-0.3 -0.976 60.3-166.8-170.4 159.4 29.6 -13.2 35.2 53 54 A W E -L 64 0C 64 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.995 5.0-162.0-150.3 156.4 27.9 -15.7 33.0 54 55 A T E -L 63 0C 96 9,-2.4 9,-2.7 -2,-0.3 2,-0.3 -0.895 10.9-156.3-131.3 164.5 28.5 -18.1 30.2 55 56 A H E -L 62 0C 100 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.997 21.8-108.1-144.0 145.3 26.1 -19.8 27.8 56 57 A S > - 0 0 33 5,-2.4 3,-0.9 -2,-0.3 7,-0.0 -0.053 35.4-106.8 -64.9 168.8 26.1 -22.9 25.7 57 58 A E T 3 S+ 0 0 200 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.941 125.7 59.0 -60.6 -46.7 26.5 -22.9 21.9 58 59 A D T 3 S- 0 0 89 1,-0.2 -1,-0.2 2,-0.0 66,-0.2 0.545 97.3-150.3 -1.1 -62.1 22.9 -23.8 22.3 59 60 A G S < S+ 0 0 12 -3,-0.9 66,-0.2 2,-0.2 -1,-0.2 0.205 72.3 100.1 -83.6 86.8 22.5 -21.1 23.8 60 61 A K S S+ 0 0 82 64,-0.1 61,-2.9 1,-0.1 2,-0.5 0.491 71.6 70.3-101.9 -11.8 19.7 -22.6 25.8 61 62 A T E - M 0 120C 37 59,-0.2 -5,-2.4 2,-0.0 2,-0.4 -0.942 64.1-173.9-116.3 120.4 21.9 -23.3 28.9 62 63 A W E -LM 55 119C 27 57,-3.1 57,-2.7 -2,-0.5 2,-0.5 -0.922 9.8-165.2-121.0 138.4 23.2 -20.4 31.0 63 64 A T E -LM 54 118C 21 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.4 -0.964 7.6-164.5-129.1 113.3 25.6 -20.4 33.9 64 65 A F E -LM 53 117C 0 53,-3.3 53,-2.7 -2,-0.5 2,-0.6 -0.790 10.9-149.7 -98.0 134.9 25.9 -17.4 36.2 65 66 A T E -LM 52 116C 31 -13,-4.0 -14,-2.7 -2,-0.4 -13,-1.5 -0.949 26.2-151.7-102.6 115.7 28.7 -16.8 38.6 66 67 A L E -L 50 0C 3 49,-2.4 -16,-0.3 -2,-0.6 -17,-0.1 -0.512 18.8 -97.7 -89.9 154.2 27.4 -14.9 41.5 67 68 A R - 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