==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL-BINDING PROTEIN 12-MAR-08 2VQA . COMPND 2 MOLECULE: SLL1358 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR S.TOTTEY,K.J.WALDRON,S.J.FIRBANK,B.REALE,C.BESSANT,K.SATO, . 1066 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 364 34.1 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 . 77 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 7.6 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+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 6 0 6 0 6 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 . 3 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 . 1 15 15 6 6 14 10 0 0 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 3 9 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 39 A W 0 0 134 0, 0.0 503,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 98.6 47.9 -105.1 38.1 2 40 A R - 0 0 181 501,-0.1 502,-2.7 4,-0.1 503,-0.4 -0.338 360.0-165.2 -65.2 147.1 48.0 -108.8 37.3 3 41 A S > - 0 0 3 500,-0.2 3,-1.4 501,-0.1 497,-0.1 -0.973 33.2-112.7-131.2 150.0 44.7 -110.4 35.9 4 42 A L T 3 S+ 0 0 21 498,-0.5 497,-0.1 495,-0.4 496,-0.1 0.693 118.8 39.9 -53.5 -19.2 43.8 -114.1 35.6 5 43 A S T 3 S- 0 0 30 495,-1.2 -1,-0.3 497,-0.1 3,-0.1 0.583 99.6-130.2-107.7 -11.7 43.8 -113.7 31.8 6 44 A N < - 0 0 107 -3,-1.4 -2,-0.1 494,-0.2 495,-0.1 0.869 39.3-177.9 60.9 36.1 46.9 -111.5 31.3 7 45 A V - 0 0 24 493,-0.3 2,-1.1 1,-0.1 -1,-0.2 -0.418 34.8-115.8 -63.3 140.5 44.8 -109.2 29.1 8 46 A V > - 0 0 99 -3,-0.1 3,-1.5 -2,-0.1 264,-0.3 -0.731 40.8-122.3 -76.4 106.4 46.8 -106.3 27.7 9 47 A W T 3 S+ 0 0 58 -2,-1.1 264,-0.3 1,-0.3 2,-0.3 -0.169 88.5 8.7 -52.7 139.5 45.0 -103.5 29.5 10 48 A G T > S+ 0 0 28 262,-2.5 3,-1.7 1,-0.2 -1,-0.3 0.029 88.1 143.8 80.4 -30.4 43.5 -100.9 27.1 11 49 A K T < S+ 0 0 127 -3,-1.5 261,-0.3 -2,-0.3 -1,-0.2 -0.149 76.0 3.1 -50.6 134.5 44.3 -103.0 24.0 12 50 A D T 3 S+ 0 0 115 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.735 113.3 106.2 58.9 28.4 41.5 -102.6 21.3 13 51 A L S < S- 0 0 29 -3,-1.7 -1,-0.2 259,-0.1 3,-0.1 -0.996 71.3-116.5-137.4 139.8 39.6 -100.1 23.5 14 52 A P - 0 0 63 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.265 51.4 -86.3 -56.2 158.8 39.0 -96.3 23.5 15 53 A A - 0 0 63 1,-0.1 28,-0.3 2,-0.0 3,-0.1 -0.425 33.9-165.9 -62.4 143.1 40.4 -94.4 26.4 16 54 A F S S+ 0 0 8 -2,-0.1 268,-1.9 -3,-0.1 2,-0.3 0.379 71.5 56.2-111.3 -0.4 38.0 -94.2 29.4 17 55 A T E -A 283 0A 34 266,-0.2 2,-0.4 246,-0.0 266,-0.2 -0.935 64.4-159.3-131.7 153.6 39.9 -91.5 31.1 18 56 A Y E -A 282 0A 61 264,-2.3 2,-2.8 -2,-0.3 264,-2.3 -0.999 26.2-127.5-134.8 133.5 40.9 -88.0 30.1 19 57 A A > + 0 0 51 -2,-0.4 3,-2.1 1,-0.2 4,-0.3 -0.308 48.2 155.7 -76.0 60.8 43.6 -85.9 31.6 20 58 A F G > + 0 0 1 -2,-2.8 3,-2.0 1,-0.3 261,-0.2 0.847 62.5 68.0 -58.6 -36.0 41.2 -83.0 32.1 21 59 A S G 3 S+ 0 0 49 -3,-0.3 -1,-0.3 1,-0.3 260,-0.1 0.669 102.6 48.9 -60.7 -13.2 43.3 -81.5 34.9 22 60 A K G < S+ 0 0 176 -3,-2.1 -1,-0.3 258,-0.1 -2,-0.2 0.466 81.5 109.7-107.8 -0.7 45.9 -80.8 32.2 23 61 A T S < S- 0 0 29 -3,-2.0 2,-0.0 -4,-0.3 13,-0.0 -0.619 77.1-112.8 -71.0 129.2 43.6 -79.1 29.7 24 62 A P - 0 0 105 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.344 27.6-118.4 -60.1 139.4 44.4 -75.4 29.5 25 63 A L - 0 0 76 9,-0.1 2,-0.5 7,-0.0 9,-0.2 -0.466 16.7-133.6 -70.4 149.4 41.8 -72.9 30.8 26 64 A V E -G 33 0B 79 7,-2.4 7,-1.4 -2,-0.1 2,-0.3 -0.953 30.3-132.5-102.7 129.9 40.3 -70.4 28.3 27 65 A L E +G 32 0B 131 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.679 29.0 172.9 -95.2 136.4 40.3 -67.0 30.1 28 66 A Y E > -G 31 0B 100 3,-3.3 2,-1.7 -2,-0.3 3,-1.4 -0.784 50.8 -75.1-126.0 174.7 37.4 -64.5 30.2 29 67 A D T 3 S- 0 0 107 142,-0.3 3,-0.1 1,-0.3 145,-0.1 -0.503 120.7 -12.1 -76.1 86.7 36.9 -61.3 32.1 30 68 A G T 3 S+ 0 0 7 -2,-1.7 25,-2.4 1,-0.2 2,-0.3 0.631 130.0 72.1 95.0 19.2 36.2 -62.6 35.6 31 69 A G E < -GH 28 54B 4 -3,-1.4 -3,-3.3 23,-0.2 2,-0.3 -0.994 54.1-160.1-161.7 155.5 35.8 -66.2 34.5 32 70 A T E +GH 27 53B 26 21,-1.5 21,-2.6 -2,-0.3 2,-0.3 -0.930 15.3 175.1-133.2 157.7 37.6 -69.3 33.2 33 71 A T E +GH 26 52B 8 -7,-1.4 -7,-2.4 -2,-0.3 2,-0.3 -0.968 10.8 173.4-161.4 145.5 36.3 -72.5 31.4 34 72 A K E - H 0 51B 24 17,-1.9 17,-2.5 -2,-0.3 2,-0.3 -0.961 16.5-156.0-145.2 162.2 37.4 -75.7 29.7 35 73 A Q E - H 0 50B 46 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.980 12.9-159.5-145.0 155.7 35.5 -78.6 28.3 36 74 A V E + H 0 49B 0 13,-3.0 13,-2.5 -2,-0.3 2,-0.2 -0.955 33.6 129.4-138.8 115.7 35.6 -82.3 27.5 37 75 A G S >> S- 0 0 0 -2,-0.4 3,-2.1 11,-0.2 4,-2.0 -0.736 74.9 -58.0-145.5-167.9 33.3 -84.0 25.0 38 76 A T T 34 S+ 0 0 38 90,-2.2 91,-0.1 6,-0.4 7,-0.1 0.736 121.1 73.1 -55.9 -25.6 33.5 -86.3 22.0 39 77 A Y T 34 S+ 0 0 103 89,-0.3 -1,-0.3 1,-0.2 90,-0.1 0.700 122.9 7.8 -63.9 -20.7 35.7 -83.8 20.1 40 78 A N T <4 S+ 0 0 49 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.387 135.5 49.3-136.0 -6.9 38.7 -84.6 22.4 41 79 A F >< - 0 0 2 -4,-2.0 3,-1.6 1,-0.1 -2,-0.1 -0.692 69.7-171.0-136.2 77.6 37.4 -87.6 24.3 42 80 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.737 78.1 54.0 -52.1 -36.5 36.0 -89.9 21.7 43 81 A V T 3 S+ 0 0 15 -28,-0.3 2,-2.6 1,-0.2 3,-0.3 0.813 83.4 89.7 -66.5 -32.6 34.3 -92.5 24.0 44 82 A S < + 0 0 0 -3,-1.6 -6,-0.4 1,-0.2 -1,-0.2 -0.313 48.1 145.2 -70.3 66.8 32.2 -89.9 25.9 45 83 A K + 0 0 156 -2,-2.6 83,-1.6 1,-0.2 84,-0.2 0.822 64.7 43.4 -78.8 -35.6 29.2 -90.0 23.5 46 84 A G S S+ 0 0 16 -3,-0.3 2,-0.3 81,-0.2 -1,-0.2 0.619 118.6 27.6 -89.9 -13.7 26.2 -89.5 25.9 47 85 A M - 0 0 0 79,-0.2 2,-0.3 80,-0.2 79,-0.2 -0.997 55.6-161.3-148.3 148.7 27.6 -86.7 28.1 48 86 A A E - I 0 125B 0 77,-1.7 77,-2.8 -2,-0.3 2,-0.4 -0.978 15.7-144.2-128.2 145.8 30.1 -83.7 28.0 49 87 A G E -HI 36 124B 0 -13,-2.5 -13,-3.0 -2,-0.3 2,-0.4 -0.868 10.2-168.1-113.4 144.0 31.6 -82.0 30.9 50 88 A V E -HI 35 123B 2 73,-2.2 73,-2.5 -2,-0.4 2,-0.4 -0.997 9.2-154.3-130.2 126.2 32.5 -78.3 31.4 51 89 A Y E +HI 34 122B 28 -17,-2.5 -17,-1.9 -2,-0.4 2,-0.3 -0.840 25.5 171.4 -91.0 137.4 34.6 -76.7 34.1 52 90 A M E -HI 33 121B 0 69,-2.0 69,-2.6 -2,-0.4 2,-0.4 -0.995 16.6-167.4-146.6 145.9 33.7 -73.1 34.7 53 91 A S E -HI 32 120B 10 -21,-2.6 -21,-1.5 -2,-0.3 2,-0.4 -0.990 2.4-170.1-133.3 143.0 34.7 -70.5 37.3 54 92 A L E -HI 31 119B 0 65,-2.3 65,-2.3 -2,-0.4 -23,-0.2 -0.985 12.7-143.3-130.7 141.3 33.2 -67.1 38.0 55 93 A E > - 0 0 89 -25,-2.4 3,-2.3 -2,-0.4 58,-0.5 -0.468 50.0 -61.8 -94.9 177.4 34.5 -64.3 40.3 56 94 A P T 3 S+ 0 0 64 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 -0.374 126.1 8.8 -64.3 122.6 32.4 -62.0 42.4 57 95 A G T 3 S+ 0 0 10 56,-2.8 2,-0.5 1,-0.3 118,-0.3 0.482 96.9 126.4 89.5 2.2 30.1 -60.0 40.1 58 96 A A < - 0 0 0 -3,-2.3 55,-2.2 55,-0.3 2,-0.4 -0.823 41.6-163.1 -93.9 130.6 31.0 -62.0 37.0 59 97 A I E -MN 112 172C 0 113,-2.9 113,-2.8 -2,-0.5 2,-0.9 -0.899 25.2-138.3-114.7 140.5 28.0 -63.4 35.1 60 98 A R E -MN 111 171C 0 51,-3.1 51,-1.5 -2,-0.4 111,-0.2 -0.904 53.2-115.5 -86.3 106.3 27.8 -66.0 32.4 61 99 A E E - 0 0 0 109,-1.7 2,-0.2 -2,-0.9 48,-0.1 0.144 35.9 -71.0 -48.0 159.9 25.3 -64.0 30.3 62 100 A L E S+ 0 0 0 980,-0.2 76,-2.2 48,-0.1 77,-0.3 -0.336 74.2 148.2 -52.4 116.4 21.7 -65.0 29.5 63 101 A H E -MO 109 137C 0 46,-2.2 46,-2.1 74,-0.2 2,-0.3 -0.909 30.2-156.5-146.8 168.2 21.8 -67.9 27.1 64 102 A W E - O 0 136C 0 72,-2.1 72,-3.1 -2,-0.3 2,-0.3 -0.974 5.7-167.7-144.4 163.3 20.1 -71.1 26.0 65 103 A H > - 0 0 2 -2,-0.3 41,-2.2 42,-0.3 3,-0.9 -0.806 2.6-174.0-152.8 110.6 20.8 -74.4 24.3 66 104 A A T 3 S+ 0 0 4 -2,-0.3 936,-0.1 39,-0.3 -1,-0.1 0.760 81.1 67.4 -76.8 -23.4 18.0 -76.6 23.1 67 105 A N T 3 S+ 0 0 61 1,-0.1 2,-0.3 934,-0.1 -1,-0.2 0.430 107.3 33.3 -78.8 -0.6 20.3 -79.5 22.0 68 106 A A < - 0 0 0 -3,-0.9 38,-0.6 36,-0.1 2,-0.3 -0.963 65.2-134.3-160.0 140.6 21.3 -80.3 25.7 69 107 A A - 0 0 1 -2,-0.3 57,-1.3 36,-0.2 2,-0.6 -0.667 27.7-136.4 -88.0 149.2 20.2 -80.3 29.3 70 108 A E E -JK 103 125B 0 33,-2.0 33,-3.2 -2,-0.3 2,-0.4 -0.942 20.6-179.2-119.6 115.0 22.5 -78.8 31.9 71 109 A W E -JK 102 124B 1 53,-2.5 53,-3.1 -2,-0.6 2,-0.4 -0.916 17.7-161.0-108.4 139.0 23.1 -80.6 35.3 72 110 A A E -JK 101 123B 0 29,-2.1 29,-0.8 -2,-0.4 2,-0.5 -0.958 23.0-168.2-135.1 139.4 25.5 -78.8 37.7 73 111 A Y E -JK 100 122B 10 49,-2.0 49,-3.4 -2,-0.4 2,-0.7 -0.979 20.1-144.2-120.5 121.3 27.7 -79.4 40.7 74 112 A V E - K 0 121B 0 25,-2.1 24,-2.8 -2,-0.5 47,-0.3 -0.758 17.0-178.1 -84.3 113.2 29.1 -76.4 42.6 75 113 A M E + 0 0 29 45,-1.7 2,-0.3 -2,-0.7 46,-0.2 0.841 65.3 3.2 -80.2 -37.3 32.6 -77.4 43.8 76 114 A E E S+ K 0 120B 87 44,-2.0 44,-2.0 21,-0.1 -1,-0.2 -0.992 104.9 0.1-147.2 152.1 33.5 -74.1 45.7 77 115 A G S S- 0 0 12 -2,-0.3 20,-1.3 42,-0.2 2,-0.4 -0.331 83.5 -54.4 79.9-148.8 31.9 -70.8 46.5 78 116 A R E -P 96 0C 98 36,-0.5 36,-2.8 39,-0.2 2,-0.3 -0.986 42.7-176.8-144.7 126.5 28.5 -69.3 45.8 79 117 A T E -PQ 95 113C 0 16,-2.7 16,-2.0 -2,-0.4 2,-0.4 -0.774 15.4-147.5-115.2 164.9 26.5 -68.8 42.6 80 118 A R E -PQ 94 112C 10 32,-2.7 32,-2.8 -2,-0.3 2,-0.3 -0.985 19.1-167.2-127.6 127.3 23.1 -67.3 41.7 81 119 A I E -PQ 93 111C 0 12,-2.9 12,-2.1 -2,-0.4 2,-0.4 -0.811 10.7-160.4-107.4 149.4 21.1 -68.8 38.8 82 120 A T E -PQ 92 110C 1 28,-1.5 28,-1.8 -2,-0.3 2,-0.4 -0.985 12.6-176.0-120.8 143.9 18.1 -67.5 36.9 83 121 A L E -PQ 91 109C 0 8,-1.9 8,-1.7 -2,-0.4 2,-0.5 -0.989 7.5-165.1-139.9 126.3 16.0 -70.0 34.9 84 122 A T E -PQ 90 108C 0 24,-3.4 24,-1.2 -2,-0.4 6,-0.2 -0.945 12.7-147.5-122.7 123.2 13.0 -69.2 32.6 85 123 A S > - 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