==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 30-SEP-11 3U1W . COMPND 2 MOLECULE: HYPOTHETICAL PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 747 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 539 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 317 42.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 21 2.8 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 . 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 . 56 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 0 0 0 0 6 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 0 3 8 7 16 2 3 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 0 0 0 0 3 3 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 29 A Q 0 0 205 0, 0.0 24,-0.4 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 166.7 21.3 25.5 73.3 2 30 A G - 0 0 35 22,-0.2 24,-0.2 2,-0.1 2,-0.1 -0.191 360.0 -59.0 78.3-179.8 24.1 25.1 70.8 3 31 A I B -A 25 0A 64 22,-2.4 22,-0.6 1,-0.1 0, 0.0 -0.434 50.9-100.5 -95.7 168.3 27.4 27.0 71.0 4 32 A I - 0 0 153 -2,-0.1 2,-0.1 20,-0.1 -1,-0.1 -0.797 41.2-129.4 -87.9 123.8 28.1 30.8 71.0 5 33 A P - 0 0 22 0, 0.0 22,-0.0 0, 0.0 -1,-0.0 -0.421 24.5-100.0 -76.9 152.9 29.2 31.9 67.6 6 34 A L >> - 0 0 68 1,-0.1 4,-2.7 -2,-0.1 3,-1.0 -0.347 40.9-108.7 -62.5 147.1 32.3 34.1 67.1 7 35 A P H 3> S+ 0 0 104 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.863 118.6 50.8 -53.6 -41.0 31.4 37.7 66.7 8 36 A P H 3> S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.830 112.5 48.6 -66.9 -26.6 32.3 37.9 63.0 9 37 A V H <> S+ 0 0 0 -3,-1.0 4,-2.9 40,-0.2 5,-0.2 0.950 112.4 47.1 -73.0 -50.4 30.1 34.8 62.5 10 38 A E H X S+ 0 0 57 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.922 114.1 48.9 -55.4 -45.5 27.2 36.3 64.5 11 39 A N H X S+ 0 0 99 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.918 112.5 45.5 -63.5 -46.2 27.5 39.6 62.6 12 40 A A H X S+ 0 0 24 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.912 115.0 50.4 -62.8 -39.9 27.6 37.9 59.1 13 41 A F H X S+ 0 0 4 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.955 111.9 45.0 -62.5 -51.3 24.7 35.7 60.1 14 42 A Q H < S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 113.4 51.9 -63.9 -33.2 22.6 38.6 61.4 15 43 A E H < S+ 0 0 153 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.922 116.5 37.9 -70.2 -40.5 23.4 40.7 58.3 16 44 A K H < S+ 0 0 101 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.878 129.3 30.7 -78.2 -36.7 22.4 38.0 55.8 17 45 A Y >< + 0 0 11 -4,-2.9 3,-2.1 -5,-0.2 -1,-0.2 -0.522 64.6 160.7-122.9 66.4 19.4 36.6 57.7 18 46 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.800 79.1 50.9 -57.9 -29.1 17.9 39.6 59.7 19 47 A D T 3 S+ 0 0 116 -3,-0.1 20,-0.4 2,-0.0 -5,-0.1 0.389 80.9 136.6 -90.0 4.1 14.6 37.8 60.1 20 48 A A < - 0 0 23 -3,-2.1 2,-0.3 -7,-0.2 18,-0.2 -0.058 35.6-161.6 -49.3 150.0 16.1 34.5 61.5 21 49 A K E + B 0 37A 131 16,-1.5 16,-2.6 1,-0.1 -1,-0.1 -0.997 61.1 2.5-138.6 144.2 14.4 32.9 64.4 22 50 A N E S- 0 0 141 -2,-0.3 -1,-0.1 14,-0.2 13,-0.1 0.868 77.7-169.0 51.2 45.7 15.5 30.3 67.0 23 51 A P E - 0 0 60 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.402 8.2-171.6 -67.1 138.8 19.1 30.1 65.6 24 52 A V E - B 0 35A 31 11,-1.9 11,-2.4 -2,-0.1 2,-0.3 -0.979 7.2-157.4-132.2 120.1 21.2 27.3 67.0 25 53 A F E +AB 3 34A 9 -22,-0.6 -22,-2.4 -2,-0.4 2,-0.3 -0.723 16.8 165.0 -99.3 150.5 24.9 27.2 66.2 26 54 A E E - B 0 33A 85 7,-2.1 7,-3.2 -2,-0.3 2,-0.5 -0.942 36.0-114.1-149.3 164.9 27.3 24.2 66.2 27 55 A I E + B 0 32A 93 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.923 31.4 176.1-106.2 124.8 30.7 23.6 64.8 28 56 A E E > - B 0 31A 94 3,-2.4 3,-1.4 -2,-0.5 2,-0.2 -0.933 62.9 -49.2-131.2 106.6 30.9 20.9 62.1 29 57 A G T 3 S- 0 0 68 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.484 123.3 -16.9 66.9-130.8 34.3 20.4 60.5 30 58 A N T 3 S+ 0 0 131 -2,-0.2 19,-0.5 -3,-0.1 2,-0.3 0.215 122.6 83.5 -90.4 16.6 35.8 23.8 59.6 31 59 A Y E < S-B 28 0A 36 -3,-1.4 -3,-2.4 17,-0.1 2,-0.6 -0.894 71.2-131.2-128.8 152.4 32.4 25.6 59.7 32 60 A Y E -BC 27 47A 22 15,-2.9 15,-2.7 -2,-0.3 2,-0.4 -0.880 35.7-163.1 -91.7 121.0 30.0 27.3 62.0 33 61 A V E -BC 26 46A 4 -7,-3.2 -7,-2.1 -2,-0.6 2,-0.4 -0.946 6.2-166.4-114.1 131.3 26.7 25.8 61.1 34 62 A V E -BC 25 45A 0 11,-2.7 11,-2.0 -2,-0.4 2,-0.4 -0.972 8.5-160.4-124.6 127.4 23.4 27.4 62.2 35 63 A D E +BC 24 44A 70 -11,-2.4 -11,-1.9 -2,-0.4 2,-0.3 -0.893 33.9 142.2 -99.5 134.9 19.9 25.9 62.1 36 64 A F E - C 0 43A 1 7,-2.8 7,-3.2 -2,-0.4 2,-0.5 -0.983 50.9-100.2-164.8 167.1 17.0 28.4 62.1 37 65 A N E -BC 21 42A 42 -16,-2.6 -16,-1.5 -2,-0.3 2,-0.4 -0.874 32.9-176.6-100.0 129.3 13.6 29.4 60.9 38 66 A N E > S- C 0 41A 47 3,-2.0 3,-1.6 -2,-0.5 -18,-0.1 -0.923 72.6 -25.9-132.6 105.1 13.5 32.0 58.1 39 67 A G T 3 S- 0 0 75 -2,-0.4 -1,-0.1 -20,-0.4 3,-0.1 0.873 127.5 -50.1 59.4 36.8 10.1 33.3 56.9 40 68 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 -19,-0.0 -1,-0.3 0.411 117.2 114.3 81.6 -0.2 8.6 30.1 58.1 41 69 A S E < -C 38 0A 40 -3,-1.6 -3,-2.0 17,-0.0 2,-0.2 -0.918 69.2-123.5-109.6 124.2 11.2 27.9 56.3 42 70 A E E +C 37 0A 103 -2,-0.5 17,-2.7 -5,-0.2 2,-0.3 -0.442 42.0 179.2 -60.6 125.1 13.7 25.7 58.1 43 71 A T E -CD 36 58A 3 -7,-3.2 -7,-2.8 15,-0.2 2,-0.4 -0.950 24.3-159.8-135.4 148.5 17.1 26.7 57.0 44 72 A T E -CD 35 57A 27 13,-2.1 13,-2.5 -2,-0.3 2,-0.3 -0.982 14.0-171.9-123.7 138.5 20.7 25.7 57.7 45 73 A A E -CD 34 56A 0 -11,-2.0 -11,-2.7 -2,-0.4 2,-0.4 -0.979 10.6-148.6-133.3 146.0 23.6 28.1 56.9 46 74 A W E +CD 33 55A 14 9,-2.4 8,-3.1 -2,-0.3 9,-1.2 -0.966 16.1 179.3-117.2 131.5 27.4 27.5 56.9 47 75 A F E -CD 32 53A 0 -15,-2.7 -15,-2.9 -2,-0.4 6,-0.2 -0.941 25.3-123.0-127.2 149.3 30.0 30.2 57.7 48 76 A T > - 0 0 30 4,-2.2 3,-2.2 -2,-0.3 -17,-0.1 -0.347 42.7 -93.9 -77.3 169.6 33.8 30.0 58.0 49 77 A D T 3 S+ 0 0 82 -19,-0.5 -40,-0.2 1,-0.3 -1,-0.1 0.816 128.6 54.3 -48.0 -39.3 35.6 31.1 61.2 50 78 A Q T 3 S- 0 0 145 -42,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.361 124.7-103.2 -81.2 0.4 36.0 34.6 59.7 51 79 A G < + 0 0 7 -3,-2.2 2,-0.6 1,-0.3 -2,-0.1 0.684 67.0 153.5 85.3 19.2 32.2 34.9 59.1 52 80 A I - 0 0 92 1,-0.0 -4,-2.2 -40,-0.0 -1,-0.3 -0.743 45.2-126.5 -84.9 120.6 32.3 34.2 55.3 53 81 A W E +D 47 0A 43 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.477 35.8 168.5 -65.8 131.1 29.0 32.7 54.2 54 82 A X E - 0 0 21 -8,-3.1 38,-2.2 1,-0.4 79,-0.3 0.614 53.2 -12.4-119.2 -23.0 29.5 29.5 52.3 55 83 A X E -DE 46 91A 0 -9,-1.2 -9,-2.4 36,-0.3 -1,-0.4 -0.981 42.1-155.7-174.2 157.6 26.1 27.8 51.9 56 84 A E E -DE 45 90A 26 34,-2.3 34,-2.2 -2,-0.3 2,-0.4 -0.984 5.8-160.6-142.4 152.2 22.5 27.5 52.8 57 85 A K E -DE 44 89A 32 -13,-2.5 -13,-2.1 -2,-0.3 2,-0.4 -0.992 14.5-164.1-135.7 120.6 20.1 24.6 52.6 58 86 A I E -DE 43 88A 34 30,-3.1 30,-2.3 -2,-0.4 2,-0.5 -0.931 18.7-129.4-116.5 132.2 16.4 25.4 52.7 59 87 A D E + E 0 87A 61 -17,-2.7 2,-0.3 -2,-0.4 28,-0.2 -0.631 39.5 168.8 -77.6 121.9 13.5 23.1 53.4 60 88 A I E - E 0 86A 19 26,-2.1 26,-0.7 -2,-0.5 2,-0.2 -0.859 32.8-110.6-129.7 166.6 10.9 23.4 50.6 61 89 A S > - 0 0 52 -2,-0.3 3,-1.2 24,-0.1 4,-0.3 -0.571 32.0-111.1 -91.6 163.8 7.9 21.5 49.5 62 90 A F G > S+ 0 0 61 1,-0.3 3,-1.8 -2,-0.2 8,-0.1 0.898 119.1 60.9 -60.5 -37.6 7.7 19.5 46.3 63 91 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 7,-0.0 7,-0.1 0.708 96.1 61.6 -62.4 -22.6 5.2 22.1 45.0 64 92 A Q G < S+ 0 0 112 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.465 80.1 106.7 -84.6 -2.7 8.0 24.8 45.3 65 93 A L S < S- 0 0 12 -3,-1.8 50,-0.0 -4,-0.3 23,-0.0 -0.457 84.8 -99.5 -70.2 146.8 10.3 23.1 42.8 66 94 A P >> - 0 0 38 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.409 35.7-111.5 -60.4 149.1 10.6 24.8 39.5 67 95 A A H 3> S+ 0 0 75 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.869 117.8 58.5 -49.0 -42.9 8.4 23.0 36.8 68 96 A A H 3> S+ 0 0 36 47,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.853 108.9 45.0 -59.5 -33.3 11.5 21.7 35.0 69 97 A V H <> S+ 0 0 0 -3,-1.2 4,-2.6 46,-0.3 5,-0.2 0.947 113.0 46.8 -78.9 -48.8 12.6 19.9 38.2 70 98 A S H X S+ 0 0 16 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 115.6 48.8 -60.0 -38.9 9.3 18.4 39.2 71 99 A T H X S+ 0 0 58 -4,-2.7 4,-1.5 -5,-0.3 -1,-0.2 0.922 108.6 52.8 -65.5 -43.3 8.9 17.3 35.6 72 100 A A H < S+ 0 0 19 -4,-1.9 3,-0.4 -5,-0.3 4,-0.3 0.938 111.5 46.7 -57.1 -45.0 12.5 15.8 35.5 73 101 A F H >< S+ 0 0 8 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.903 109.7 52.6 -63.3 -44.0 11.7 13.8 38.6 74 102 A K H 3< S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 114.2 43.6 -64.3 -24.5 8.3 12.6 37.2 75 103 A Q T 3< S+ 0 0 126 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.341 99.6 103.6 -99.2 4.3 10.1 11.4 34.1 76 104 A S S X S- 0 0 14 -3,-1.3 3,-1.6 -4,-0.3 4,-0.2 -0.299 88.7-104.2 -86.2 169.8 13.0 9.8 36.0 77 105 A F T 3 S+ 0 0 14 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.822 123.1 49.2 -55.4 -32.3 13.9 6.3 36.9 78 106 A Y T > S+ 0 0 25 1,-0.2 3,-2.4 2,-0.1 -1,-0.3 0.241 70.9 117.2 -96.8 14.7 12.7 7.0 40.4 79 107 A S T < S+ 0 0 35 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.791 76.6 52.8 -56.0 -30.7 9.3 8.7 39.6 80 108 A N T 3 S+ 0 0 50 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.1 0.514 90.1 101.8 -82.0 -6.0 7.4 5.9 41.4 81 109 A W S < S- 0 0 9 -3,-2.4 2,-0.5 1,-0.1 23,-0.2 -0.431 82.0-103.3 -78.8 155.3 9.4 6.3 44.6 82 110 A T E - 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