==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-JUL-10 2XLG . COMPND 2 MOLECULE: SLL1785 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; . AUTHOR K.J.WALDRON,S.J.FIRBANK,S.J.DAINTY,M.PEREZ-RAMA,S.TOTTEY,N.J . 229 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 27.5 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 1 2 2 1 0 1 1 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 1 0 0 1 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 35 A I 0 0 143 0, 0.0 2,-0.5 0, 0.0 202,-0.1 0.000 360.0 360.0 360.0 152.8 10.4 -13.4 19.6 2 36 A H - 0 0 71 200,-0.2 104,-2.7 104,-0.2 2,-0.3 -0.688 360.0-179.1 -90.7 127.9 13.5 -11.2 20.1 3 37 A T B -A 105 0A 76 -2,-0.5 2,-0.3 102,-0.3 102,-0.2 -0.776 15.6-157.0-119.9 164.5 13.4 -8.3 22.5 4 38 A F - 0 0 30 100,-2.2 3,-0.1 -2,-0.3 -2,-0.0 -0.993 17.1-137.5-141.4 140.2 15.8 -5.6 23.7 5 39 A D S S- 0 0 123 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.889 73.5 -17.0 -72.7 -41.6 15.5 -3.6 26.9 6 40 A D - 0 0 77 98,-0.1 -1,-0.2 2,-0.0 208,-0.0 -0.941 39.2-162.1-165.5 138.7 16.3 -0.1 25.9 7 41 A I - 0 0 1 -2,-0.3 57,-0.0 -3,-0.1 204,-0.0 -0.945 32.4-147.8-121.6 106.3 17.8 1.9 23.1 8 42 A P - 0 0 18 0, 0.0 209,-0.1 0, 0.0 210,-0.1 -0.265 7.2-123.4 -76.4 162.1 18.6 5.4 24.5 9 43 A M - 0 0 31 208,-0.0 2,-0.3 209,-0.0 19,-0.1 -0.861 23.6-116.7-100.0 134.7 18.6 8.7 22.6 10 44 A P - 0 0 3 0, 0.0 2,-0.9 0, 0.0 208,-0.1 -0.590 28.3-132.2 -63.6 129.9 21.6 11.0 22.5 11 45 A K - 0 0 93 -2,-0.3 2,-0.3 206,-0.2 218,-0.1 -0.774 28.0-168.6 -90.5 103.9 20.7 14.3 24.2 12 46 A L - 0 0 29 -2,-0.9 218,-0.1 1,-0.1 209,-0.0 -0.682 31.6-125.4 -96.2 147.2 21.8 17.1 21.8 13 47 A A S S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.3 217,-0.0 0.827 111.7 21.6 -56.6 -35.8 22.0 20.8 22.8 14 48 A D S S- 0 0 85 216,-0.0 -1,-0.3 2,-0.0 -3,-0.0 -0.774 91.5-147.0-132.4 90.2 19.8 21.5 19.7 15 49 A P - 0 0 75 0, 0.0 2,-0.9 0, 0.0 14,-0.1 -0.184 13.1-126.3 -55.8 146.7 17.9 18.4 18.7 16 50 A L E +B 28 0A 21 12,-0.9 12,-2.7 141,-0.1 2,-0.5 -0.867 34.4 178.2 -91.9 99.3 17.1 17.7 15.0 17 51 A L E -B 27 0A 42 -2,-0.9 141,-2.7 141,-0.3 2,-0.4 -0.945 7.2-166.9-101.8 122.1 13.3 17.2 15.0 18 52 A I E -BC 26 157A 0 8,-2.7 8,-2.7 -2,-0.5 2,-0.4 -0.924 6.2-159.2-111.9 136.8 11.8 16.6 11.5 19 53 A Y E -B 25 0A 26 137,-2.2 6,-0.2 -2,-0.4 -2,-0.0 -0.934 13.7-157.5-111.6 136.1 8.1 16.8 10.7 20 54 A T > - 0 0 3 4,-1.6 3,-2.3 -2,-0.4 135,-0.1 -0.685 33.4-108.7-111.9 164.4 6.8 15.0 7.6 21 55 A P T 3 S+ 0 0 78 0, 0.0 146,-0.1 0, 0.0 -1,-0.1 0.763 123.0 60.5 -60.5 -23.8 3.7 15.3 5.3 22 56 A A T 3 S- 0 0 45 2,-0.1 27,-0.0 1,-0.0 -3,-0.0 0.309 120.3-116.6 -78.9 7.4 2.7 12.0 6.9 23 57 A N < + 0 0 83 -3,-2.3 2,-0.2 1,-0.2 26,-0.1 0.751 64.7 148.7 60.5 29.4 2.7 13.9 10.2 24 58 A E - 0 0 9 21,-0.1 -4,-1.6 22,-0.0 2,-0.5 -0.587 40.0-141.2 -86.1 154.0 5.5 11.8 11.7 25 59 A I E -BD 19 44A 46 19,-1.8 19,-2.1 -2,-0.2 2,-0.5 -0.983 14.2-167.9-121.2 117.7 8.1 13.2 14.1 26 60 A F E -BD 18 43A 4 -8,-2.7 -8,-2.7 -2,-0.5 2,-0.7 -0.942 8.5-167.2-108.3 115.7 11.7 12.2 13.8 27 61 A D E -BD 17 42A 43 15,-2.4 15,-2.6 -2,-0.5 2,-0.4 -0.930 27.8-170.0 -97.6 108.3 14.2 13.0 16.7 28 62 A I E +BD 16 41A 0 -12,-2.7 -12,-0.9 -2,-0.7 2,-0.3 -0.823 20.0 175.5-118.4 137.3 17.5 12.3 15.0 29 63 A A E - D 0 40A 0 11,-2.4 11,-2.8 -2,-0.4 2,-0.4 -0.992 15.5-152.4-136.9 148.6 21.1 12.0 16.1 30 64 A S E - D 0 39A 12 -2,-0.3 200,-2.8 9,-0.2 2,-0.3 -0.957 21.4-178.1-116.5 134.4 24.3 11.0 14.4 31 65 A a E -ED 229 38A 2 7,-3.2 7,-2.4 -2,-0.4 2,-0.3 -0.943 9.9-172.6-134.7 159.1 27.2 9.5 16.4 32 66 A S E +ED 228 37A 53 196,-2.5 196,-2.0 -2,-0.3 2,-0.3 -0.997 6.1 175.2-148.7 146.6 30.7 8.3 15.8 33 67 A A E > - D 0 36A 16 3,-2.6 3,-1.3 -2,-0.3 194,-0.1 -0.856 54.5 -85.1-137.6 173.1 33.4 6.5 17.8 34 68 A K T 3 S+ 0 0 127 192,-0.4 193,-0.1 -2,-0.3 3,-0.0 0.863 127.4 29.2 -48.3 -41.0 36.8 5.2 16.6 35 69 A D T 3 S+ 0 0 92 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.393 121.0 39.2-101.3 -2.0 35.3 1.9 15.3 36 70 A I E < -D 33 0A 16 -3,-1.3 -3,-2.6 176,-0.1 2,-0.4 -0.997 47.5-163.1-159.8 147.0 31.8 2.8 14.3 37 71 A G E +D 32 0A 12 -2,-0.3 96,-2.2 96,-0.3 2,-0.3 -0.997 28.1 145.7-138.6 134.8 29.4 5.3 12.7 38 72 A F E -DF 31 132A 0 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.3 -0.980 31.4-140.6-160.1 164.8 25.6 5.4 13.1 39 73 A A E -DF 30 131A 0 92,-2.4 92,-2.8 -2,-0.3 2,-0.4 -0.957 14.8-161.7-132.7 155.6 22.5 7.4 13.3 40 74 A I E -DF 29 130A 0 -11,-2.8 -11,-2.4 -2,-0.3 2,-0.4 -0.997 4.7-162.8-140.4 138.4 19.4 6.9 15.4 41 75 A A E -DF 28 129A 0 88,-2.8 88,-2.1 -2,-0.4 2,-0.6 -0.993 7.0-160.9-119.5 128.9 15.8 8.2 15.2 42 76 A H E -DF 27 128A 54 -15,-2.6 -15,-2.4 -2,-0.4 2,-0.3 -0.972 33.7-171.5 -99.8 120.3 13.4 8.1 18.0 43 77 A A E -DF 26 127A 2 84,-3.3 84,-2.2 -2,-0.6 2,-0.5 -0.823 32.1-148.8-124.7 148.3 10.1 8.5 16.2 44 78 A Q E -DF 25 126A 95 -19,-2.1 -19,-1.8 -2,-0.3 80,-0.1 -0.986 22.8-162.1-114.1 122.1 6.4 9.1 16.8 45 79 A I E - F 0 125A 0 80,-3.3 80,-2.3 -2,-0.5 -21,-0.1 -0.903 2.9-153.5-115.2 109.3 4.3 7.4 14.1 46 80 A P > - 0 0 19 0, 0.0 3,-2.5 0, 0.0 73,-0.4 -0.213 47.1 -62.9 -71.4 170.2 0.7 8.4 13.7 47 81 A P T 3 S+ 0 0 66 0, 0.0 75,-0.1 0, 0.0 3,-0.1 -0.319 129.2 13.6 -50.4 130.8 -2.0 6.1 12.3 48 82 A G T 3 S+ 0 0 59 71,-3.4 2,-0.1 1,-0.3 74,-0.1 0.325 101.7 129.5 79.9 -4.8 -1.0 5.3 8.7 49 83 A G < + 0 0 2 -3,-2.5 70,-1.7 70,-0.2 -1,-0.3 -0.292 23.1 86.6 -80.0 165.9 2.5 6.6 9.2 50 84 A G S S- 0 0 19 68,-0.2 2,-0.2 -3,-0.1 68,-0.1 -0.391 75.5 -61.3 124.2 160.0 5.7 4.9 8.3 51 85 A P - 0 0 17 0, 0.0 66,-1.6 0, 0.0 3,-0.1 -0.493 45.0-125.1 -78.4 138.8 8.0 4.4 5.3 52 86 A M - 0 0 74 131,-0.2 63,-0.1 -2,-0.2 131,-0.1 -0.228 58.4 -56.4 -69.5 166.0 6.9 2.8 2.2 53 87 A P S S+ 0 0 0 0, 0.0 130,-2.3 0, 0.0 2,-0.3 -0.182 72.1 157.7 -51.4 134.6 9.0 -0.1 1.0 54 88 A H E -IJ 115 182B 10 61,-2.4 61,-2.6 128,-0.2 2,-0.4 -0.953 31.9-137.5-153.2 167.3 12.7 0.6 0.4 55 89 A I E -IJ 114 181B 1 126,-1.8 126,-2.4 -2,-0.3 2,-0.3 -0.997 15.3-145.1-136.4 130.8 16.1 -1.0 0.2 56 90 A H E + J 0 180B 6 57,-0.6 56,-2.4 -2,-0.4 124,-0.2 -0.770 17.9 176.5 -99.3 145.5 19.4 0.2 1.8 57 91 A Y S S+ 0 0 11 122,-2.6 79,-0.2 -2,-0.3 123,-0.1 0.613 81.7 38.3-115.7 -21.8 22.9 -0.2 0.2 58 92 A F S S+ 0 0 31 121,-0.6 76,-2.2 120,-0.3 2,-0.3 0.391 112.7 43.7-117.9 0.3 25.1 1.7 2.7 59 93 A I E -G 133 0A 4 74,-0.3 2,-0.4 120,-0.2 74,-0.2 -0.964 62.0-137.8-140.8 159.0 23.6 0.8 6.2 60 94 A N E -G 132 0A 25 72,-2.1 72,-2.7 -2,-0.3 2,-0.3 -0.905 34.8-146.7-107.4 143.8 22.3 -2.1 8.2 61 95 A E E -GH 131 109A 5 48,-2.6 48,-3.5 -2,-0.4 2,-0.4 -0.882 17.0-163.7-123.0 146.7 19.1 -1.2 10.1 62 96 A W E -GH 130 108A 1 68,-2.1 68,-2.0 -2,-0.3 2,-0.4 -0.971 6.7-160.4-120.5 143.4 17.4 -2.1 13.4 63 97 A F E -GH 129 107A 2 44,-2.8 44,-3.4 -2,-0.4 2,-0.4 -0.979 7.0-173.2-118.9 136.1 13.8 -1.4 14.4 64 98 A W E -GH 128 106A 10 64,-2.7 64,-2.4 -2,-0.4 42,-0.2 -0.993 6.8-164.4-132.8 124.3 12.7 -1.4 18.0 65 99 A T E > - H 0 105A 0 40,-1.9 39,-1.7 -2,-0.4 3,-1.5 -0.833 3.0-171.3-115.3 92.5 9.1 -1.1 19.0 66 100 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 61,-0.1 0.787 91.5 24.6 -56.5 -31.9 8.7 -0.2 22.7 67 101 A E T 3 S- 0 0 120 59,-0.4 60,-0.1 1,-0.4 2,-0.0 0.218 99.6-138.5-114.2 10.8 4.9 -0.7 22.6 68 102 A G < + 0 0 1 -3,-1.5 2,-1.7 34,-0.7 -1,-0.4 -0.372 65.5 112.2 61.5-147.3 4.6 -3.1 19.7 69 103 A G + 0 0 29 32,-1.6 -1,-0.1 1,-0.2 33,-0.1 -0.216 48.2 110.8 84.1 -47.0 1.6 -2.3 17.5 70 104 A I - 0 0 0 -2,-1.7 31,-2.2 56,-0.2 2,-0.5 -0.328 61.8-141.2 -60.9 136.5 3.7 -1.2 14.5 71 105 A E E -KL 100 118B 38 47,-2.9 47,-2.9 29,-0.2 2,-0.3 -0.932 17.7-162.6-102.2 126.3 3.5 -3.6 11.5 72 106 A L E -KL 99 117B 3 27,-2.3 27,-2.8 -2,-0.5 2,-0.4 -0.754 6.2-148.9-105.5 155.3 6.7 -4.1 9.6 73 107 A F E +KL 98 116B 12 43,-2.9 43,-1.6 -2,-0.3 2,-0.3 -0.976 21.0 170.7-124.0 140.6 7.2 -5.5 6.1 74 108 A H E -KL 97 115B 2 23,-1.8 23,-2.8 -2,-0.4 41,-0.2 -0.994 22.4-138.1-153.2 139.8 10.2 -7.5 5.1 75 109 A S E - 0 0 0 39,-2.2 21,-0.2 -2,-0.3 38,-0.0 -0.430 8.6-150.3 -87.3 163.5 11.4 -9.6 2.1 76 110 A T E S+ 0 0 39 19,-0.5 2,-0.2 -2,-0.1 -1,-0.1 0.622 81.8 82.0 -95.1 -29.6 13.3 -12.9 2.2 77 111 A K E S- 0 0 133 18,-0.4 37,-0.6 37,-0.0 2,-0.3 -0.505 74.0-143.7 -67.7 137.0 14.9 -11.9 -1.2 78 112 A Q E - L 0 113B 80 -2,-0.2 35,-0.2 35,-0.1 34,-0.1 -0.806 2.2-152.6 -97.9 154.5 17.9 -9.6 -1.1 79 113 A Y + 0 0 27 33,-2.6 33,-0.1 -2,-0.3 5,-0.1 -0.731 21.4 169.7-124.5 73.4 18.4 -7.1 -3.9 80 114 A P + 0 0 94 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.558 58.5 76.2 -68.2 -9.3 22.2 -6.6 -4.0 81 115 A N > - 0 0 83 3,-0.2 3,-1.9 1,-0.1 -24,-0.0 -0.892 58.0-169.6-112.3 104.8 22.2 -4.6 -7.2 82 116 A M T 3 S+ 0 0 48 -2,-0.7 -1,-0.1 1,-0.3 -27,-0.0 0.716 85.6 64.0 -66.6 -22.2 21.1 -1.0 -6.7 83 117 A D T 3 S+ 0 0 150 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.565 90.4 73.1 -75.6 -11.7 20.9 -0.5 -10.4 84 118 A E S < S- 0 0 56 -3,-1.9 -3,-0.2 -5,-0.1 -1,-0.1 -0.880 74.4-157.6-110.6 100.7 18.1 -3.0 -10.8 85 119 A L - 0 0 74 -2,-0.8 2,-2.1 1,-0.1 6,-1.3 -0.557 22.0-123.6 -78.0 143.6 14.9 -1.6 -9.4 86 120 A P + 0 0 0 0, 0.0 8,-0.4 0, 0.0 2,-0.3 -0.430 68.2 124.7 -87.7 67.0 12.2 -4.1 -8.3 87 121 A V S > >S- 0 0 31 -2,-2.1 5,-1.1 6,-0.2 3,-0.8 -0.763 76.8-105.5-125.5 164.2 9.5 -2.6 -10.5 88 122 A V T 3 5S+ 0 0 116 100,-0.4 -1,-0.1 -2,-0.3 101,-0.1 0.861 118.7 52.2 -51.3 -43.5 7.1 -3.7 -13.3 89 123 A G T 3 5S+ 0 0 78 3,-0.0 -1,-0.2 2,-0.0 -4,-0.0 0.703 125.0 7.0 -73.4 -20.6 9.3 -2.0 -15.9 90 124 A G T < 5S- 0 0 57 -3,-0.8 3,-0.1 -5,-0.1 -6,-0.1 0.303 125.7 -1.6-125.6-112.4 12.5 -3.7 -14.9 91 125 A A T 5S- 0 0 72 -6,-1.3 -3,-0.1 1,-0.2 2,-0.1 0.823 98.9-101.7 -63.6 -37.1 13.6 -6.5 -12.5 92 126 A G < - 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