==== 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 19-JUL-10 2XL7 . 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 . 235 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 64.3 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 . 65 27.7 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 . 2 0.9 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 . 22 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 12.3 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 1 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 . 3 2 1 1 3 1 0 2 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 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 34 A E 0 0 228 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.0 6.6 25.0 -8.4 2 35 A I - 0 0 80 106,-0.0 2,-0.5 206,-0.0 106,-0.1 -0.506 360.0-132.6 -90.1 152.9 6.3 24.1 -4.7 3 36 A H - 0 0 47 104,-0.3 104,-3.5 -2,-0.2 2,-0.2 -0.902 29.8-165.5 -99.3 130.0 6.2 20.7 -3.1 4 37 A T B -A 106 0A 83 -2,-0.5 2,-0.3 102,-0.3 102,-0.2 -0.726 14.2-170.1-113.6 164.9 3.3 20.4 -0.5 5 38 A F - 0 0 31 100,-1.7 3,-0.1 -2,-0.2 -2,-0.0 -0.968 14.8-147.7-155.2 138.8 2.4 17.9 2.3 6 39 A D S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.838 70.8 8.8 -84.8 -33.5 -0.8 17.7 4.3 7 40 A D + 0 0 82 98,-0.1 -1,-0.2 2,-0.0 212,-0.0 -0.939 38.0 175.9-157.5 124.7 0.1 16.5 7.8 8 41 A I - 0 0 1 -2,-0.3 57,-0.0 -3,-0.1 208,-0.0 -0.869 31.9-154.5-123.5 99.2 3.1 15.9 10.0 9 42 A P - 0 0 20 0, 0.0 213,-0.1 0, 0.0 214,-0.1 -0.203 11.3-118.6 -74.7 162.2 1.7 14.9 13.4 10 43 A X - 0 0 34 212,-0.0 2,-0.4 213,-0.0 19,-0.1 -0.824 23.8-114.4 -99.2 135.8 3.5 15.4 16.8 11 44 A P - 0 0 2 0, 0.0 2,-1.2 0, 0.0 212,-0.1 -0.600 31.5-135.6 -63.3 124.3 4.4 12.4 19.1 12 45 A K - 0 0 99 -2,-0.4 2,-0.2 210,-0.2 222,-0.1 -0.734 27.2-169.7 -91.1 93.6 2.3 13.1 22.2 13 46 A L - 0 0 26 -2,-1.2 222,-0.1 1,-0.1 -3,-0.0 -0.492 32.1-118.6 -81.0 153.1 4.7 12.4 25.1 14 47 A A S S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.2 221,-0.0 0.962 110.8 22.3 -53.0 -55.6 3.5 12.2 28.7 15 48 A D S S- 0 0 71 220,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 -0.886 94.1-136.4-118.1 98.6 5.7 15.2 29.7 16 49 A P - 0 0 60 0, 0.0 2,-1.0 0, 0.0 14,-0.1 -0.212 10.4-128.5 -54.9 134.9 6.4 17.3 26.5 17 50 A L E -B 29 0A 5 12,-0.7 12,-2.3 141,-0.0 2,-0.6 -0.766 30.2-174.7 -84.9 102.8 10.0 18.6 26.1 18 51 A L E +B 28 0A 33 -2,-1.0 141,-3.1 141,-0.4 2,-0.4 -0.905 4.8 179.7-103.4 121.7 9.6 22.4 25.5 19 52 A I E -BC 27 158A 1 8,-2.0 8,-3.4 -2,-0.6 2,-0.9 -0.969 27.8-148.2-125.9 133.0 12.9 24.2 24.6 20 53 A Y E -B 26 0A 29 137,-2.2 6,-0.2 -2,-0.4 4,-0.1 -0.884 32.0-146.3 -93.0 100.8 13.5 27.8 23.8 21 54 A T E >> -B 25 0A 0 4,-2.4 3,-2.0 -2,-0.9 4,-0.7 -0.295 20.3-115.9 -67.5 154.3 16.4 27.4 21.4 22 55 A P T 34 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 151,-0.1 0.548 115.2 68.7 -70.3 -1.5 19.2 30.1 21.3 23 56 A A T 34 S- 0 0 13 2,-0.1 28,-2.6 29,-0.0 -2,-0.1 0.272 124.0-103.4 -89.8 9.2 18.1 30.8 17.7 24 57 A N T <4 S+ 0 0 43 -3,-2.0 2,-0.4 1,-0.2 26,-0.1 0.952 75.6 140.3 68.7 51.8 14.8 32.2 19.3 25 58 A E E < -B 21 0A 4 -4,-0.7 -4,-2.4 21,-0.1 2,-0.8 -0.987 49.9-139.1-126.7 136.6 12.6 29.2 18.4 26 59 A I E -BD 20 45A 28 19,-2.6 19,-2.0 -2,-0.4 2,-0.4 -0.848 32.4-166.1 -99.1 106.0 9.9 27.7 20.7 27 60 A F E -BD 19 44A 1 -8,-3.4 -8,-2.0 -2,-0.8 2,-0.6 -0.801 29.8-171.8-103.7 133.6 10.3 23.9 20.3 28 61 A D E +BD 18 43A 48 15,-1.7 15,-2.3 -2,-0.4 2,-0.3 -0.978 39.4 177.5-112.2 108.1 8.0 21.1 21.3 29 62 A I E +BD 17 42A 0 -12,-2.3 -12,-0.7 -2,-0.6 2,-0.3 -0.828 20.8 163.2-126.8 150.3 10.5 18.3 20.5 30 63 A A E - D 0 41A 0 11,-2.0 11,-2.6 -2,-0.3 2,-0.4 -0.968 25.9-130.8-156.0 160.8 10.8 14.5 20.7 31 64 A S E - D 0 40A 3 -2,-0.3 204,-2.0 9,-0.2 2,-0.3 -0.946 22.0-173.5-118.1 145.1 12.8 11.6 19.3 32 65 A a E +ED 234 39A 1 7,-3.5 7,-3.0 -2,-0.4 2,-0.3 -0.987 4.2 180.0-135.8 145.8 11.5 8.4 17.8 33 66 A S E +ED 233 38A 17 200,-2.2 200,-2.4 -2,-0.3 2,-0.3 -0.986 4.3 176.7-141.6 156.8 13.0 5.2 16.5 34 67 A A - 0 0 17 3,-3.0 3,-0.4 -2,-0.3 198,-0.1 -0.806 54.5 -82.0-141.5 177.7 11.9 2.0 15.0 35 68 A K S S+ 0 0 112 196,-0.4 197,-0.1 -2,-0.3 3,-0.1 0.862 129.2 30.0 -54.8 -34.5 13.7 -1.1 13.7 36 69 A D S S+ 0 0 92 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.588 122.7 28.9-103.4 -13.4 14.5 0.7 10.4 37 70 A I - 0 0 11 -3,-0.4 -3,-3.0 180,-0.1 2,-0.3 -0.978 49.3-164.3-157.0 151.6 14.7 4.4 11.2 38 71 A G E +D 33 0A 0 -2,-0.3 96,-2.5 96,-0.3 2,-0.3 -0.996 24.1 145.9-146.3 141.8 15.5 7.0 13.8 39 72 A F E -DF 32 133A 0 -7,-3.0 -7,-3.5 -2,-0.3 2,-0.3 -0.995 37.3-125.5-170.2 161.8 14.7 10.7 14.0 40 73 A A E -DF 31 132A 0 92,-2.3 92,-2.7 105,-0.4 2,-0.3 -0.870 25.0-169.3-115.0 150.3 13.8 13.8 16.0 41 74 A I E -DF 30 131A 0 -11,-2.6 -11,-2.0 -2,-0.3 2,-0.4 -0.995 3.5-171.7-141.3 142.0 10.8 16.0 15.3 42 75 A A E -DF 29 130A 0 88,-2.0 88,-2.4 -2,-0.3 2,-0.6 -0.998 17.5-155.8-136.6 132.5 9.8 19.4 16.5 43 76 A H E -DF 28 129A 56 -15,-2.3 -15,-1.7 -2,-0.4 2,-0.3 -0.959 37.8-175.6 -95.7 121.2 6.6 21.5 16.2 44 77 A A E -DF 27 128A 4 84,-3.3 84,-2.0 -2,-0.6 2,-0.4 -0.833 31.8-145.2-125.3 155.0 7.8 25.0 16.7 45 78 A Q E -DF 26 127A 88 -19,-2.0 -19,-2.6 -2,-0.3 80,-0.1 -0.985 18.9-156.1-115.2 129.5 6.7 28.6 17.0 46 79 A I E - F 0 126A 0 80,-3.4 80,-2.1 -2,-0.4 -21,-0.1 -0.914 8.2-147.6-111.1 109.6 9.0 31.2 15.4 47 80 A P > - 0 0 18 0, 0.0 3,-2.7 0, 0.0 73,-0.3 -0.283 47.0 -68.0 -63.6 159.6 8.7 34.8 16.8 48 81 A P T 3 S+ 0 0 59 0, 0.0 75,-0.1 0, 0.0 3,-0.1 -0.216 127.1 14.2 -46.1 130.3 9.3 37.7 14.5 49 82 A G T 3 S+ 0 0 54 71,-3.1 74,-0.1 73,-0.3 2,-0.0 0.322 99.0 131.0 85.9 -9.0 13.0 37.7 13.6 50 83 A G < + 0 0 1 -3,-2.7 70,-1.7 70,-0.1 -1,-0.3 -0.295 20.9 94.2 -78.7 161.9 13.6 34.1 14.9 51 84 A G - 0 0 9 -28,-2.6 2,-0.2 68,-0.2 68,-0.1 -0.451 69.1 -75.9 132.5 154.8 15.4 31.3 13.1 52 85 A P - 0 0 8 0, 0.0 66,-1.3 0, 0.0 3,-0.1 -0.509 41.9-112.1 -84.8 150.7 18.9 29.9 12.9 53 86 A X - 0 0 74 135,-0.3 135,-0.1 1,-0.2 63,-0.1 -0.296 61.4 -62.8 -64.9 158.5 21.9 31.3 11.1 54 87 A P S S+ 0 0 0 0, 0.0 134,-1.8 0, 0.0 2,-0.3 -0.132 71.2 164.6 -48.0 136.9 23.2 29.4 8.0 55 88 A H E -IJ 116 187B 9 61,-2.5 61,-2.5 132,-0.2 2,-0.4 -0.957 29.7-134.6-153.0 164.8 24.4 25.9 9.0 56 89 A I E -IJ 115 186B 0 130,-1.8 130,-2.3 -2,-0.3 2,-0.3 -0.992 15.5-141.6-130.7 136.1 25.3 22.5 7.5 57 90 A H E + J 0 185B 4 57,-0.6 56,-1.8 -2,-0.4 128,-0.2 -0.759 22.5 170.0 -99.6 143.2 24.4 19.0 8.7 58 91 A Y S S+ 0 0 12 126,-3.0 79,-0.2 -2,-0.3 127,-0.1 0.588 82.2 40.4-117.0 -20.7 26.6 15.9 8.6 59 92 A F S S+ 0 0 33 125,-0.8 76,-2.2 124,-0.3 2,-0.3 0.471 114.2 37.8-108.5 -10.7 24.5 13.4 10.7 60 93 A I E -G 134 0A 1 124,-0.3 2,-0.4 74,-0.2 74,-0.2 -0.945 59.9-133.9-142.2 160.3 20.9 14.1 9.4 61 94 A N E -G 133 0A 13 72,-1.7 72,-2.5 -2,-0.3 2,-0.4 -0.940 35.7-145.4-108.8 142.4 18.6 15.0 6.5 62 95 A E E -GH 132 110A 4 48,-2.5 48,-3.3 -2,-0.4 2,-0.4 -0.876 15.5-164.8-119.6 140.7 16.1 17.7 7.3 63 96 A W E -GH 131 109A 0 68,-2.3 68,-1.7 -2,-0.4 2,-0.5 -0.970 7.1-161.2-116.5 138.5 12.5 18.5 6.3 64 97 A F E -GH 130 108A 1 44,-2.8 44,-3.2 -2,-0.4 2,-0.4 -0.981 7.1-174.6-116.7 129.8 10.9 21.9 6.8 65 98 A W E -GH 129 107A 13 64,-2.4 64,-2.4 -2,-0.5 42,-0.2 -0.991 6.3-166.6-128.4 124.2 7.1 22.1 6.8 66 99 A T E > - H 0 106A 0 40,-1.9 39,-2.0 -2,-0.4 3,-1.5 -0.803 3.5-172.3-116.2 88.4 5.5 25.6 7.0 67 100 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 61,-0.1 0.730 89.9 25.2 -56.3 -24.8 1.8 25.2 7.8 68 101 A E T 3 S- 0 0 122 59,-0.4 60,-0.1 1,-0.4 2,-0.1 0.237 98.0-137.8-120.8 10.5 1.1 28.9 7.3 69 102 A G < + 0 0 0 -3,-1.5 2,-1.9 34,-0.7 -1,-0.4 -0.399 65.9 112.8 63.5-146.5 3.9 30.0 4.9 70 103 A G + 0 0 31 32,-1.2 -1,-0.1 1,-0.2 52,-0.1 -0.155 50.4 112.6 77.5 -44.8 5.5 33.3 5.9 71 104 A I - 0 0 0 -2,-1.9 31,-2.7 56,-0.2 2,-0.6 -0.348 59.4-146.1 -62.2 136.4 8.8 31.7 6.8 72 105 A E E -KL 101 119B 38 47,-2.6 47,-2.7 29,-0.2 2,-0.3 -0.957 15.6-164.5-109.0 119.0 11.7 32.6 4.6 73 106 A L E -KL 100 118B 3 27,-2.2 27,-2.4 -2,-0.6 2,-0.4 -0.680 7.9-150.2-100.9 155.1 14.3 29.8 4.1 74 107 A F E +KL 99 117B 12 43,-2.6 43,-1.7 -2,-0.3 2,-0.3 -0.986 21.5 171.7-126.8 136.9 17.8 30.1 2.7 75 108 A H E -KL 98 116B 2 23,-2.4 23,-2.5 -2,-0.4 41,-0.2 -0.999 20.6-139.3-152.7 139.3 19.4 27.3 0.8 76 109 A S E - 0 0 0 39,-2.0 21,-0.1 -2,-0.3 38,-0.0 -0.479 11.3-148.1 -91.0 166.8 22.5 26.7 -1.3 77 110 A T E S+ 0 0 37 19,-0.4 2,-0.2 -2,-0.1 -1,-0.1 0.623 82.0 84.2 -95.1 -27.7 23.1 24.7 -4.5 78 111 A K E S- 0 0 106 18,-0.3 37,-0.7 37,-0.0 2,-0.3 -0.478 70.9-146.4 -79.1 144.6 26.6 23.8 -3.3 79 112 A Q E - L 0 114B 93 -2,-0.2 35,-0.2 35,-0.2 34,-0.1 -0.837 4.0-153.3-109.4 150.1 27.2 20.9 -1.0 80 113 A Y + 0 0 11 33,-3.3 33,-0.1 -2,-0.3 5,-0.1 -0.727 20.0 169.1-124.7 79.5 29.9 20.8 1.7 81 114 A P + 0 0 96 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.660 61.2 76.8 -69.9 -14.8 30.8 17.0 2.2 82 115 A N > - 0 0 66 1,-0.1 3,-1.5 3,-0.1 -24,-0.0 -0.855 57.9-170.1-104.4 107.8 33.8 17.9 4.4 83 116 A X T 3 S+ 0 0 79 -2,-0.7 -1,-0.1 1,-0.3 -27,-0.0 0.700 86.1 65.3 -64.9 -21.4 33.0 18.9 8.0 84 117 A D T 3 S+ 0 0 139 1,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.608 91.1 71.2 -75.8 -16.8 36.6 20.0 8.4 85 118 A E S < S- 0 0 104 -3,-1.5 -3,-0.1 6,-0.1 -1,-0.1 -0.899 71.4-159.5-109.3 106.2 36.3 22.7 5.9 86 119 A L - 0 0 69 -2,-0.7 2,-2.1 4,-0.1 6,-0.8 -0.587 26.6-120.5 -78.0 140.8 34.2 25.7 7.0 87 120 A P + 0 0 0 0, 0.0 8,-0.3 0, 0.0 2,-0.3 -0.457 68.3 134.9 -79.6 70.6 32.8 27.9 4.3 88 121 A V S >S- 0 0 29 -2,-2.1 5,-1.9 6,-0.1 3,-0.3 -0.797 71.8-104.8-123.1 160.1 34.6 31.0 5.7 89 122 A V T 5S+ 0 0 123 104,-0.4 2,-0.8 1,-0.3 -1,-0.1 0.807 118.5 49.3 -54.1 -36.1 36.7 33.9 4.3 90 123 A G T 5S+ 0 0 71 3,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.669 124.8 6.8-104.2 75.4 40.0 32.3 5.6 91 124 A G T 5S+ 0 0 62 -2,-0.8 3,-0.1 -3,-0.3 -6,-0.1 -0.958 126.4 5.6 157.7-138.0 39.5 28.8 4.2 92 125 A A T 5S- 0 0 36 -6,-0.8 -3,-0.1 -2,-0.3 -7,-0.1 0.473 99.6-113.9 -60.7 -9.2 37.0 27.0 1.9 93 126 A G < - 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0 0 103 -34,-0.3 3,-2.5 1,-0.1 -34,-0.7 -0.789 41.8 -68.7-111.5 159.6 3.7 28.9 1.2 104 137 A P T 3 S- 0 0 76 0, 0.0 -36,-0.2 0, 0.0 -1,-0.1 -0.299 120.5 -1.4 -52.7 125.0 1.0 27.3 3.5 105 138 A K T 3 S+ 0 0 68 -39,-2.0 -100,-1.7 1,-0.2 2,-0.1 0.541 90.2 158.3 68.3 15.9 1.9 23.6 4.0 106 139 A Q E < -AH 4 66A 16 -3,-2.5 -40,-1.9 -40,-0.8 2,-0.5 -0.415 30.5-148.0 -63.7 140.0 4.9 23.8 1.7 107 140 A L E - H 0 65A 6 -104,-3.5 2,-0.5 -42,-0.2 -104,-0.3 -0.968 11.9-168.4-117.5 121.1 7.4 21.0 2.4 108 141 A I E - H 0 64A 12 -44,-3.2 -44,-2.8 -2,-0.5 2,-0.5 -0.928 5.9-155.9-112.1 129.0 11.1 21.7 1.8 109 142 A Y E - H 0 63A 24 100,-0.6 -46,-0.2 -2,-0.5 100,-0.1 -0.891 10.3-177.4-111.0 128.7 13.6 18.9 1.8 110 143 A S E - H 0 62A 1 -48,-3.3 -48,-2.5 -2,-0.5 3,-0.1 -0.857 12.0-153.9-132.7 98.0 17.3 19.5 2.6 111 144 A P > - 0 0 22 0, 0.0 3,-1.3 0, 0.0 -54,-0.2 -0.184 40.4 -77.6 -64.2 156.3 19.8 16.6 2.5 112 145 A N T 3 S+ 0 0 23 1,-0.2 -54,-0.2 -56,-0.1 3,-0.1 -0.196 114.6 35.0 -51.7 145.4 23.0 16.6 4.6 113 146 A H T 3 S+ 0 0 40 -56,-1.8 -33,-3.3 1,-0.4 2,-0.3 0.201 87.4 114.1 93.7 -14.4 25.9 18.8 3.3 114 147 A Y E < - 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