==== 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 2XLF . 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 . 932 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 610 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 260 27.9 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 78 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 1 0 0 4 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 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 . 10 8 4 4 12 4 0 4 4 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 0 4 0 0 2 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 36 A H 0 0 111 0, 0.0 104,-2.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 119.9 46.9 14.7 -11.3 2 37 A T B -A 104 0A 87 102,-0.3 2,-0.3 61,-0.0 102,-0.2 -0.665 360.0-155.9-124.3 172.5 45.7 13.7 -14.8 3 38 A F - 0 0 32 100,-1.8 3,-0.1 -2,-0.2 207,-0.0 -0.983 18.1-136.5-149.2 145.6 46.6 11.4 -17.8 4 39 A D S S- 0 0 119 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.903 71.9 -12.8 -84.7 -39.6 45.5 11.9 -21.4 5 40 A D - 0 0 85 98,-0.0 -1,-0.2 2,-0.0 212,-0.0 -0.979 37.4-164.8-160.6 146.6 44.5 8.4 -22.6 6 41 A I - 0 0 1 -2,-0.3 57,-0.0 -3,-0.1 208,-0.0 -0.932 30.7-148.9-128.7 108.0 44.6 4.7 -21.8 7 42 A P - 0 0 23 0, 0.0 213,-0.1 0, 0.0 214,-0.1 -0.240 8.7-121.5 -76.4 169.3 43.8 2.7 -24.9 8 43 A X - 0 0 36 212,-0.1 2,-0.2 213,-0.0 19,-0.1 -0.851 25.3-110.5-110.4 137.1 42.0 -0.7 -25.0 9 44 A P - 0 0 5 0, 0.0 2,-1.0 0, 0.0 212,-0.1 -0.519 31.6-130.2 -61.9 136.0 43.4 -3.8 -26.5 10 45 A K - 0 0 98 210,-0.2 2,-0.2 -2,-0.2 222,-0.1 -0.752 33.7-179.6 -95.1 95.7 41.5 -4.6 -29.7 11 46 A L - 0 0 28 -2,-1.0 222,-0.1 1,-0.1 -3,-0.0 -0.606 36.3-128.2 -95.4 154.6 40.5 -8.3 -29.4 12 47 A A S S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.2 221,-0.0 0.828 107.9 30.5 -68.2 -31.7 38.5 -10.3 -32.0 13 48 A D S S- 0 0 83 220,-0.0 -1,-0.3 2,-0.0 -3,-0.0 -0.809 88.6-148.2-131.6 87.2 36.1 -11.4 -29.2 14 49 A P - 0 0 60 0, 0.0 2,-1.0 0, 0.0 14,-0.1 -0.234 14.0-128.0 -56.7 140.5 35.8 -8.8 -26.5 15 50 A L E -B 27 0A 4 12,-0.7 12,-2.5 141,-0.0 2,-0.6 -0.835 31.2-175.5 -92.7 98.8 35.2 -10.1 -23.0 16 51 A L E +B 26 0A 45 -2,-1.0 141,-2.4 141,-0.3 2,-0.4 -0.902 7.2 177.3 -97.8 123.6 32.2 -8.1 -21.9 17 52 A I E -BC 25 156A 2 8,-2.5 8,-3.3 -2,-0.6 2,-0.7 -0.981 29.8-148.7-130.5 139.4 31.2 -8.8 -18.2 18 53 A Y E -B 24 0A 23 137,-2.5 6,-0.2 -2,-0.4 4,-0.1 -0.911 32.7-145.6-103.9 105.8 28.5 -7.4 -15.9 19 54 A T E >> -B 23 0A 0 4,-2.5 3,-1.6 -2,-0.7 4,-0.6 -0.300 22.1-113.8 -74.3 157.6 30.2 -7.6 -12.5 20 55 A P T 34 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 146,-0.0 0.525 117.7 66.7 -63.7 -4.2 28.3 -8.4 -9.3 21 56 A A T 34 S- 0 0 6 2,-0.1 28,-2.8 29,-0.1 -2,-0.1 0.138 123.6-105.3 -95.2 18.0 29.4 -4.8 -8.3 22 57 A N T <4 S+ 0 0 57 -3,-1.6 2,-0.4 1,-0.2 -4,-0.1 0.971 73.1 145.3 55.8 55.0 27.1 -3.5 -11.1 23 58 A E E < -B 19 0A 5 -4,-0.6 -4,-2.5 21,-0.1 2,-0.8 -0.989 47.7-140.8-121.4 133.7 30.0 -2.6 -13.4 24 59 A I E -BD 18 43A 32 19,-2.6 19,-2.0 -2,-0.4 2,-0.4 -0.876 33.8-168.8 -90.7 107.6 29.8 -2.9 -17.2 25 60 A F E -BD 17 42A 1 -8,-3.3 -8,-2.5 -2,-0.8 2,-0.6 -0.852 32.3-174.0-106.9 134.7 33.3 -4.3 -18.1 26 61 A D E +BD 16 41A 46 15,-1.4 15,-2.1 -2,-0.4 2,-0.3 -0.961 38.7 179.8-114.1 104.6 35.1 -4.7 -21.4 27 62 A I E +BD 15 40A 0 -12,-2.5 -12,-0.7 -2,-0.6 2,-0.3 -0.794 19.3 169.1-122.6 148.7 38.1 -6.4 -20.0 28 63 A A E - D 0 39A 0 11,-2.4 11,-2.6 -2,-0.3 2,-0.4 -0.971 23.6-132.9-150.3 159.3 41.4 -7.9 -21.3 29 64 A S E - D 0 38A 2 -2,-0.3 204,-2.0 9,-0.2 2,-0.3 -0.955 23.1-177.0-117.8 141.4 44.7 -9.3 -20.0 30 65 A a E +ED 232 37A 1 7,-2.9 7,-2.7 -2,-0.4 2,-0.3 -0.992 3.9 175.9-138.2 144.6 48.1 -8.4 -21.3 31 66 A S E +ED 231 36A 15 200,-2.7 200,-2.4 -2,-0.3 2,-0.3 -0.997 8.2 178.3-148.5 153.2 51.6 -9.5 -20.7 32 67 A A E > - D 0 35A 16 3,-3.1 3,-1.0 -2,-0.3 198,-0.1 -0.780 55.1 -84.3-135.0 178.4 55.1 -8.9 -21.9 33 68 A K T 3 S+ 0 0 134 196,-0.4 3,-0.1 -2,-0.3 197,-0.1 0.796 129.0 35.0 -61.1 -28.2 58.4 -10.3 -20.7 34 69 A D T 3 S+ 0 0 91 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.448 122.9 26.0-102.4 -3.3 58.7 -7.6 -18.0 35 70 A I E < -D 32 0A 12 -3,-1.0 -3,-3.1 180,-0.1 2,-0.3 -1.000 48.3-166.6-165.2 148.6 55.1 -7.1 -17.0 36 71 A G E +D 31 0A 1 -2,-0.3 96,-2.6 96,-0.3 2,-0.3 -0.990 22.9 147.1-147.5 145.3 51.5 -8.5 -16.7 37 72 A F E -DF 30 131A 0 -7,-2.7 -7,-2.9 -2,-0.3 2,-0.3 -0.977 36.1-126.2-164.3 160.4 48.2 -6.8 -16.1 38 73 A A E -DF 29 130A 0 92,-2.7 92,-3.0 105,-0.3 2,-0.3 -0.922 24.8-168.9-113.8 152.6 44.5 -6.7 -16.7 39 74 A I E -DF 28 129A 0 -11,-2.6 -11,-2.4 -2,-0.3 2,-0.4 -0.996 3.5-170.6-140.9 143.7 42.7 -3.6 -18.0 40 75 A A E -DF 27 128A 0 88,-2.1 88,-2.2 -2,-0.3 2,-0.6 -1.000 17.3-152.1-136.8 132.7 39.0 -2.8 -18.2 41 76 A H E -DF 26 127A 53 -15,-2.1 -15,-1.4 -2,-0.4 2,-0.3 -0.947 38.9-171.9 -97.9 117.0 37.2 0.0 -19.9 42 77 A A E -DF 25 126A 3 84,-3.6 84,-2.3 -2,-0.6 2,-0.4 -0.771 32.8-153.9-120.0 154.7 34.1 0.3 -17.8 43 78 A Q E -DF 24 125A 86 -19,-2.0 -19,-2.6 -2,-0.3 80,-0.1 -1.000 18.3-157.7-119.3 127.4 30.7 2.0 -17.6 44 79 A I E - F 0 124A 0 80,-2.9 80,-1.9 -2,-0.4 -21,-0.1 -0.918 9.7-146.9-108.7 110.6 29.3 2.4 -14.0 45 80 A P > - 0 0 23 0, 0.0 3,-2.5 0, 0.0 73,-0.3 -0.246 46.3 -62.5 -65.9 165.3 25.5 2.8 -13.8 46 81 A P T 3 S+ 0 0 65 0, 0.0 75,-0.1 0, 0.0 3,-0.1 -0.236 128.2 9.9 -45.4 129.5 23.9 5.0 -11.1 47 82 A G T 3 S+ 0 0 20 71,-2.9 377,-0.1 73,-0.3 376,-0.1 0.376 99.1 137.7 79.3 -3.6 24.8 3.5 -7.7 48 83 A G < + 0 0 1 -3,-2.5 70,-1.5 70,-0.2 -1,-0.2 -0.264 19.2 94.3 -75.1 160.7 27.3 1.0 -9.2 49 84 A G - 0 0 18 -28,-2.8 2,-0.1 68,-0.2 68,-0.1 -0.335 66.5 -83.0 132.1 147.3 30.6 0.2 -7.7 50 85 A P - 0 0 8 0, 0.0 66,-1.2 0, 0.0 3,-0.1 -0.464 40.8-108.7 -79.7 150.8 32.3 -2.3 -5.4 51 86 A X - 0 0 62 135,-0.3 63,-0.1 1,-0.2 138,-0.1 -0.295 60.1 -66.5 -56.4 156.5 32.3 -2.4 -1.7 52 87 A P + 0 0 0 0, 0.0 134,-1.9 0, 0.0 2,-0.3 -0.184 68.6 162.8 -53.1 137.2 35.6 -1.5 0.1 53 88 A H E -IJ 114 185B 16 61,-2.3 61,-2.2 132,-0.2 2,-0.4 -0.939 31.0-132.7-151.4 167.0 38.3 -4.1 -0.5 54 89 A I E -IJ 113 184B 0 130,-1.9 130,-2.2 -2,-0.3 2,-0.3 -0.990 17.5-140.2-130.4 136.8 42.1 -4.6 -0.3 55 90 A H E + J 0 183B 5 57,-0.6 56,-2.5 -2,-0.4 128,-0.2 -0.770 22.1 172.3-100.2 142.6 44.4 -6.1 -3.0 56 91 A Y S S+ 0 0 12 126,-3.1 79,-0.2 -2,-0.3 127,-0.1 0.551 81.5 41.9-117.0 -17.1 47.3 -8.5 -2.3 57 92 A F S S+ 0 0 38 125,-0.7 76,-2.4 124,-0.3 79,-0.3 0.579 112.9 40.0-110.2 -15.9 48.3 -9.5 -5.9 58 93 A I E -G 132 0A 2 124,-0.3 2,-0.4 74,-0.2 74,-0.2 -0.840 59.1-137.0-131.5 166.4 48.0 -6.2 -7.8 59 94 A N E -G 131 0A 15 72,-1.7 72,-3.0 -2,-0.3 2,-0.3 -0.933 37.0-146.5-113.0 142.7 48.6 -2.5 -7.8 60 95 A E E -GH 130 108A 4 48,-2.1 48,-3.0 -2,-0.4 2,-0.4 -0.863 17.9-166.3-121.8 147.1 45.7 -0.5 -9.3 61 96 A W E -GH 129 107A 0 68,-2.3 68,-2.1 -2,-0.3 2,-0.4 -0.989 8.3-159.0-125.1 141.8 45.1 2.6 -11.3 62 97 A F E -GH 128 106A 2 44,-2.8 44,-2.3 -2,-0.4 2,-0.5 -0.979 5.5-171.1-118.0 135.7 41.8 4.3 -11.8 63 98 A W E -GH 127 105A 11 64,-2.7 64,-2.7 -2,-0.4 42,-0.2 -0.981 3.5-170.7-128.9 121.0 41.1 6.7 -14.7 64 99 A T E > - H 0 104A 0 40,-2.0 39,-1.6 -2,-0.5 3,-1.4 -0.829 3.2-173.0-113.7 91.2 37.9 8.8 -14.8 65 100 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 61,-0.1 0.756 90.2 25.2 -56.9 -27.9 37.6 10.5 -18.2 66 101 A E T 3 S- 0 0 124 59,-0.5 60,-0.1 1,-0.4 -2,-0.0 0.176 98.6-138.2-118.9 16.7 34.5 12.5 -17.1 67 102 A G < + 0 0 1 -3,-1.4 2,-0.7 34,-0.7 -1,-0.4 -0.265 63.4 116.6 53.1-149.4 35.0 12.6 -13.3 68 103 A G + 0 0 28 32,-1.7 2,-0.1 1,-0.2 -1,-0.1 -0.205 48.0 109.7 91.5 -44.7 31.8 12.1 -11.4 69 104 A I - 0 0 0 -2,-0.7 31,-2.4 56,-0.2 2,-0.6 -0.426 60.4-144.5 -72.1 137.3 32.9 8.9 -9.8 70 105 A E E -KL 99 117B 0 47,-2.5 47,-2.3 29,-0.2 2,-0.2 -0.920 16.9-165.1-104.2 121.0 33.5 9.0 -6.0 71 106 A L E -KL 98 116B 4 27,-2.5 27,-2.1 -2,-0.6 2,-0.4 -0.635 7.5-148.3 -99.9 160.5 36.4 6.9 -4.8 72 107 A F E +KL 97 115B 1 43,-3.0 43,-1.7 25,-0.2 2,-0.3 -0.981 20.7 173.6-128.1 142.1 37.1 5.9 -1.3 73 108 A H E -KL 96 114B 2 23,-1.7 23,-1.7 -2,-0.4 41,-0.2 -0.991 20.7-139.5-151.9 136.0 40.7 5.3 -0.0 74 109 A S E -K 95 0B 0 39,-2.4 21,-0.2 -2,-0.3 38,-0.0 -0.483 8.9-150.7 -84.1 166.5 42.4 4.6 3.3 75 110 A T E S+ 0 0 53 19,-0.5 2,-0.2 -2,-0.1 -1,-0.1 0.593 81.7 80.5 -96.4 -32.3 45.7 6.0 4.5 76 111 A K E S- 0 0 109 18,-0.4 37,-0.7 -3,-0.0 2,-0.3 -0.525 72.5-146.8 -74.5 143.6 46.3 2.8 6.6 77 112 A Q E - L 0 112B 87 -2,-0.2 35,-0.2 35,-0.2 34,-0.1 -0.838 3.8-150.1-111.4 151.5 47.6 -0.3 4.8 78 113 A Y + 0 0 16 33,-2.8 33,-0.1 -2,-0.3 5,-0.0 -0.851 20.4 170.1-124.5 91.4 46.8 -3.9 5.6 79 114 A P + 0 0 97 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.739 60.6 74.2 -81.2 -22.4 49.8 -6.1 4.8 80 115 A N > - 0 0 83 1,-0.1 3,-1.3 3,-0.1 -24,-0.0 -0.829 62.1-165.1 -94.5 111.6 48.5 -9.3 6.4 81 116 A X T 3 S+ 0 0 48 -2,-0.7 -1,-0.1 1,-0.2 -27,-0.1 0.739 86.8 62.1 -66.9 -25.3 45.7 -10.9 4.3 82 117 A D T 3 S+ 0 0 150 1,-0.1 2,-0.7 2,-0.0 -1,-0.2 0.570 90.9 77.6 -75.5 -11.1 44.6 -13.2 7.2 83 118 A E S < S- 0 0 63 -3,-1.3 -1,-0.1 7,-0.0 -3,-0.1 -0.889 72.1-160.2-104.2 104.5 43.8 -10.1 9.3 84 119 A L - 0 0 75 -2,-0.7 2,-2.1 5,-0.2 7,-0.3 -0.622 25.2-121.3 -84.6 140.1 40.4 -8.6 8.2 85 120 A P + 0 0 0 0, 0.0 8,-0.3 0, 0.0 2,-0.3 -0.452 68.9 131.8 -80.0 73.8 39.7 -5.0 9.1 86 121 A V B >S-t 90 0C 30 -2,-2.1 5,-1.9 3,-0.6 106,-0.1 -0.789 74.0-105.9-133.9 156.2 36.5 -6.0 11.0 87 122 A V T 5S+ 0 0 58 266,-0.6 2,-2.3 104,-0.4 3,-0.2 0.839 108.7 75.6 -60.7 -32.7 35.0 -5.3 14.4 88 123 A G T 5S- 0 0 64 265,-0.3 -1,-0.2 1,-0.2 -4,-0.1 -0.460 122.2 -44.4 -76.7 68.1 36.0 -8.7 15.7 89 124 A G T 5S+ 0 0 54 -2,-2.3 -3,-0.6 1,-0.1 -1,-0.2 0.689 125.3 49.4 78.2 129.2 39.7 -7.9 16.0 90 125 A A B 5S-t 86 0C 54 -3,-0.2 -3,-0.1 -5,-0.1 -1,-0.1 -0.432 99.1-128.9 104.7 -48.5 42.1 -5.9 13.7 91 126 A G < - 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