==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 30-JUN-10 3NRQ . COMPND 2 MOLECULE: PERIPLASMIC PROTEIN-PROBABLY INVOLVED IN HIGH-AFF . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.C.K.CHAN,M.E.P.MURPHY . 299 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 39.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 30 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 0 6 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 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 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 4 A K 0 0 193 0, 0.0 21,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 100.4 8.7 -11.9 19.1 2 5 A E - 0 0 101 19,-0.1 19,-0.2 17,-0.0 17,-0.0 -0.898 360.0-150.8-112.8 137.6 10.6 -8.9 20.3 3 6 A Y E -A 20 0A 42 17,-3.6 17,-2.5 -2,-0.4 2,-0.1 -0.942 12.6-130.7-114.9 122.1 12.2 -6.3 17.9 4 7 A P E -A 19 0A 97 0, 0.0 2,-0.7 0, 0.0 15,-0.2 -0.413 11.5-154.4 -64.9 138.9 15.3 -4.3 18.8 5 8 A A E -A 18 0A 0 13,-2.7 13,-0.5 -2,-0.1 139,-0.2 -0.910 62.8 -48.5-115.2 97.5 15.1 -0.5 18.1 6 9 A G E S- 0 0 23 -2,-0.7 136,-0.1 137,-0.2 138,-0.1 -0.314 94.8 -42.7 72.7-157.6 18.6 0.6 17.5 7 10 A E E - 0 0 150 -3,-0.1 9,-0.1 10,-0.1 136,-0.0 -0.859 56.0-110.7-112.3 140.2 21.4 -0.3 20.0 8 11 A P E - 0 0 59 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.385 37.7-165.1 -62.3 149.0 21.3 -0.3 23.8 9 12 A V E -A 16 0A 56 7,-2.3 7,-3.3 2,-0.1 2,-0.5 -0.981 16.6-130.6-139.2 150.8 23.4 2.4 25.4 10 13 A T E +A 15 0A 83 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.892 32.7 160.7-105.8 125.8 24.7 3.0 28.9 11 14 A M E > +A 14 0A 64 3,-2.1 3,-0.6 -2,-0.5 -2,-0.1 -0.986 66.9 0.3-143.7 130.7 24.2 6.5 30.4 12 15 A N T 3 S- 0 0 60 -2,-0.3 41,-0.1 1,-0.2 123,-0.1 0.879 129.3 -55.4 59.3 41.8 24.4 7.4 34.1 13 16 A E T 3 S+ 0 0 52 1,-0.2 36,-2.1 39,-0.1 2,-0.3 0.830 117.4 107.5 61.4 31.2 25.2 3.8 35.3 14 17 A M E < -AB 11 48A 0 -3,-0.6 -3,-2.1 34,-0.3 2,-0.5 -0.996 66.1-135.5-135.3 142.7 22.0 2.5 33.5 15 18 A E E -AB 10 47A 100 32,-3.1 32,-1.9 -2,-0.3 2,-0.5 -0.887 26.1-167.1 -97.5 129.1 21.7 0.4 30.4 16 19 A L E +AB 9 46A 0 -7,-3.3 -7,-2.3 -2,-0.5 2,-0.3 -0.963 11.2 169.8-125.4 116.5 18.9 1.8 28.3 17 20 A A E - B 0 45A 11 28,-2.7 28,-3.1 -2,-0.5 2,-0.4 -0.928 23.9-142.1-126.9 155.0 17.4 -0.0 25.3 18 21 A A E +AB 5 44A 4 -13,-0.5 -13,-2.7 -2,-0.3 2,-0.3 -0.952 28.8 162.5-116.6 134.5 14.5 0.4 23.1 19 22 A V E -AB 4 43A 12 24,-1.4 24,-3.4 -2,-0.4 2,-0.3 -0.968 18.8-152.8-142.8 156.9 12.4 -2.6 21.9 20 23 A Y E -AB 3 42A 10 -17,-2.5 -17,-3.6 -2,-0.3 2,-0.3 -0.965 8.9-177.8-137.4 160.4 9.1 -3.2 20.4 21 24 A L E - B 0 41A 14 20,-2.0 20,-2.3 -2,-0.3 -19,-0.1 -0.771 46.7 -68.9-132.7 175.1 6.6 -6.0 20.3 22 25 A Q S S- 0 0 96 -21,-0.5 18,-0.2 -2,-0.3 -1,-0.1 -0.366 78.1 -74.1 -60.0 156.2 3.2 -6.7 18.7 23 26 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 18,-0.2 -0.267 55.9-148.4 -60.9 144.8 0.5 -4.5 20.3 24 27 A I - 0 0 3 16,-0.1 2,-0.5 -3,-0.1 11,-0.2 -0.563 12.8-122.2-108.5 163.3 -0.6 -5.5 23.8 25 28 A D - 0 0 88 -2,-0.2 251,-2.8 9,-0.1 252,-0.6 -0.953 36.5-165.3 -99.7 130.4 -3.8 -5.4 25.9 26 29 A M E -C 275 0A 22 -2,-0.5 249,-0.2 249,-0.2 5,-0.2 -0.903 15.1-110.7-116.3 149.7 -3.2 -3.5 29.1 27 30 A E E S+C 274 0A 46 247,-2.3 247,-2.8 -2,-0.4 2,-0.1 -0.938 104.8 53.6-105.9 140.8 -5.1 -3.1 32.3 28 31 A P S > S- 0 0 43 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.481 97.5-154.2 -60.5 130.0 -6.5 -0.6 33.1 29 32 A R T 3 + 0 0 231 1,-0.2 3,-0.1 -2,-0.1 -2,-0.1 -0.290 68.2 45.8 -78.4 165.2 -8.1 -0.9 29.6 30 33 A G T 3 S+ 0 0 78 1,-0.3 2,-0.5 -4,-0.2 -1,-0.2 0.279 84.2 110.8 85.6 -11.8 -9.4 2.0 27.6 31 34 A M S < S- 0 0 99 -3,-0.7 -1,-0.3 -5,-0.2 -5,-0.2 -0.856 82.4 -9.7 -92.2 130.5 -6.2 4.0 28.3 32 35 A G S S- 0 0 52 -2,-0.5 -2,-0.1 -3,-0.1 67,-0.1 -0.018 113.3 -31.1 73.8 178.3 -4.1 4.4 25.2 33 36 A L - 0 0 79 65,-0.4 65,-0.2 1,-0.1 -2,-0.1 -0.473 63.9-123.3 -69.6 134.5 -4.7 2.7 21.9 34 37 A P > - 0 0 76 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.375 32.1-104.6 -65.1 157.3 -6.2 -0.8 22.1 35 38 A A G > S+ 0 0 21 1,-0.3 3,-1.6 -11,-0.2 -10,-0.1 0.871 120.7 61.3 -54.0 -38.9 -4.0 -3.5 20.4 36 39 A A G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -12,-0.0 -3,-0.0 0.677 108.1 43.4 -61.1 -21.9 -6.4 -3.6 17.4 37 40 A K G < S+ 0 0 142 -3,-1.8 2,-0.3 63,-0.0 -1,-0.3 0.170 107.3 73.0-111.3 13.9 -5.7 0.1 16.7 38 41 A A < - 0 0 11 -3,-1.6 62,-0.3 -4,-0.2 3,-0.1 -0.836 59.3-154.7-124.4 161.1 -1.9 -0.0 17.1 39 42 A D S S+ 0 0 39 60,-2.4 2,-0.3 1,-0.3 61,-0.2 0.698 77.8 5.7-101.5 -31.1 1.0 -1.5 15.2 40 43 A V E - D 0 99A 2 59,-2.4 59,-3.3 -18,-0.2 2,-0.5 -0.959 57.5-127.5-147.1 160.4 3.4 -2.0 18.0 41 44 A H E -BD 21 98A 3 -20,-2.3 -20,-2.0 -2,-0.3 2,-0.4 -0.984 35.7-157.5-106.2 115.6 4.0 -1.9 21.8 42 45 A L E -BD 20 97A 4 55,-2.7 55,-1.8 -2,-0.5 2,-0.3 -0.794 12.0-169.7-100.1 135.8 7.1 0.2 22.2 43 46 A E E -BD 19 96A 14 -24,-3.4 -24,-1.4 -2,-0.4 2,-0.5 -0.876 26.0-142.0-125.4 156.9 9.2 -0.1 25.4 44 47 A A E -BD 18 95A 1 51,-2.7 51,-1.6 -2,-0.3 2,-0.7 -0.987 20.0-161.0-111.0 119.3 12.0 1.5 27.3 45 48 A D E +B 17 0A 56 -28,-3.1 -28,-2.7 -2,-0.5 2,-0.4 -0.907 20.6 169.0-102.8 108.5 14.2 -1.2 28.9 46 49 A I E +B 16 0A 2 -2,-0.7 16,-1.7 -30,-0.2 2,-0.3 -0.963 3.4 156.2-136.1 115.2 16.2 0.4 31.7 47 50 A H E -BE 15 61A 51 -32,-1.9 -32,-3.1 -2,-0.4 14,-0.2 -0.970 43.3 -96.0-137.3 153.5 18.3 -1.2 34.4 48 51 A A E -B 14 0A 3 12,-2.5 11,-3.6 -2,-0.3 -34,-0.3 -0.356 34.3-156.5 -61.0 141.3 21.2 -0.4 36.7 49 52 A V > - 0 0 37 -36,-2.1 3,-1.4 9,-0.2 7,-0.1 -0.642 42.6 -65.8-102.8 175.2 24.7 -1.4 35.5 50 53 A E T 3 S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.2 7,-0.1 -0.340 121.4 38.2 -58.8 138.0 27.7 -2.0 37.8 51 54 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.421 73.6 164.6 99.8 -0.8 28.8 1.2 39.5 52 55 A N < - 0 0 25 -3,-1.4 3,-0.4 4,-0.2 -1,-0.3 -0.305 20.3-167.8 -52.8 126.3 25.3 2.7 40.1 53 56 A K S S+ 0 0 137 1,-0.2 79,-1.6 -41,-0.1 -1,-0.2 0.328 73.7 73.6 -99.7 1.2 25.7 5.6 42.6 54 57 A N S S- 0 0 4 2,-0.2 -1,-0.2 77,-0.2 77,-0.1 0.140 117.4 -91.0-107.4 18.9 22.0 5.9 43.2 55 58 A G S S+ 0 0 11 -3,-0.4 2,-0.4 1,-0.3 185,-0.2 0.417 85.3 124.4 94.0 -2.1 21.4 2.8 45.3 56 59 A F - 0 0 10 187,-0.1 -1,-0.3 -7,-0.1 -4,-0.2 -0.789 54.1-133.4 -96.8 135.2 20.5 0.3 42.7 57 60 A G > - 0 0 29 -2,-0.4 3,-2.2 1,-0.1 -9,-0.3 -0.464 45.6 -75.1 -77.9 157.2 22.4 -3.0 42.2 58 61 A A T 3 S+ 0 0 54 1,-0.3 -9,-0.2 -2,-0.1 -1,-0.1 -0.244 120.2 17.4 -56.6 133.0 23.5 -4.1 38.8 59 62 A G T 3 S+ 0 0 53 -11,-3.6 -1,-0.3 1,-0.3 2,-0.2 0.214 90.1 132.2 90.7 -15.4 20.5 -5.5 36.8 60 63 A E < - 0 0 81 -3,-2.2 -12,-2.5 1,-0.1 -1,-0.3 -0.484 62.7-109.2 -72.0 140.8 17.7 -3.9 39.0 61 64 A W B -E 47 0A 15 -14,-0.2 -14,-0.2 -2,-0.2 -1,-0.1 -0.365 25.8-126.0 -61.4 145.1 14.9 -2.1 37.2 62 65 A I - 0 0 2 -16,-1.7 3,-0.4 -6,-0.1 2,-0.1 -0.864 34.2-163.0 -97.0 111.0 15.0 1.7 37.7 63 66 A P + 0 0 1 0, 0.0 58,-0.1 0, 0.0 0, 0.0 -0.367 58.4 33.4 -92.3 168.4 11.5 2.7 39.0 64 67 A Y S S+ 0 0 11 1,-0.2 55,-0.2 -2,-0.1 57,-0.2 0.643 75.7 149.9 64.4 19.4 9.7 6.0 39.2 65 68 A L - 0 0 9 -3,-0.4 2,-0.6 53,-0.1 -1,-0.2 -0.542 41.1-143.2 -74.3 149.9 11.2 7.4 35.9 66 69 A T E -H 114 0B 64 48,-1.6 48,-2.1 -2,-0.2 2,-0.5 -0.966 26.1-175.7-109.1 118.5 9.2 9.8 33.9 67 70 A I E -H 113 0B 2 -2,-0.6 17,-3.0 17,-0.3 2,-0.3 -0.949 12.5-175.6-122.8 124.4 9.8 9.1 30.2 68 71 A S E -HI 112 83B 43 44,-2.0 44,-2.5 -2,-0.5 2,-0.4 -0.774 12.5-152.4-107.2 153.6 8.6 10.9 27.2 69 72 A Y E -HI 111 82B 20 13,-2.9 13,-1.9 -2,-0.3 2,-0.5 -0.952 11.0-162.4-125.5 148.5 9.2 9.8 23.6 70 73 A T E -HI 110 81B 40 40,-1.8 40,-2.4 -2,-0.4 2,-0.5 -0.987 17.3-166.7-127.5 118.0 9.5 11.7 20.3 71 74 A L E -HI 109 80B 0 9,-3.3 9,-2.1 -2,-0.5 2,-0.5 -0.935 5.3-174.8-114.4 122.9 9.1 9.4 17.4 72 75 A V E -HI 108 79B 30 36,-3.0 36,-2.2 -2,-0.5 2,-0.9 -0.958 25.6-144.4-124.1 128.4 9.9 10.5 13.8 73 76 A N E >> -H 107 0B 3 5,-2.8 4,-3.1 -2,-0.5 3,-0.6 -0.838 19.8-161.8 -79.6 108.7 9.5 8.7 10.5 74 77 A N T 34 S+ 0 0 72 32,-2.5 -1,-0.2 -2,-0.9 33,-0.2 0.785 84.7 60.1 -68.0 -27.1 12.7 10.0 8.9 75 78 A D T 34 S+ 0 0 90 31,-0.8 -1,-0.2 1,-0.2 32,-0.1 0.836 123.7 17.6 -70.2 -32.0 11.4 9.2 5.4 76 79 A T T <4 S- 0 0 92 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.608 94.5-126.3-113.9 -20.2 8.4 11.5 5.7 77 80 A G < + 0 0 48 -4,-3.1 -3,-0.1 1,-0.3 2,-0.1 0.340 59.8 142.8 86.8 -7.3 9.2 13.8 8.6 78 81 A E - 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