==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 10-JAN-08 3BWW . COMPND 2 MOLECULE: PROTEIN OF UNKNOWN FUNCTION DUF692/COG3220; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS SOMNUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 253 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 1 1 0 0 2 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 A G 0 0 67 0, 0.0 88,-0.1 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 143.8 32.9 51.9 28.8 2 1 A X + 0 0 92 254,-0.5 2,-0.5 55,-0.1 87,-0.1 0.602 360.0 177.1-160.0 141.2 35.0 51.9 26.6 3 2 A R + 0 0 5 253,-3.3 253,-2.8 54,-0.1 2,-0.3 -0.789 29.5 124.6-105.9 125.2 36.6 49.7 23.9 4 3 A Q + 0 0 47 -2,-0.5 2,-0.2 251,-0.2 251,-0.1 -0.949 47.6 23.6-156.7 169.4 39.3 50.7 21.5 5 4 A G S S- 0 0 0 211,-0.3 214,-2.6 249,-0.3 2,-0.4 -0.487 100.2 -11.2 81.2-136.2 42.7 49.6 20.3 6 5 A A E +a 219 0A 0 212,-0.2 22,-2.1 -2,-0.2 23,-0.3 -0.915 65.2 169.6-114.8 135.6 44.1 46.0 20.6 7 6 A G E -a 220 0A 0 212,-1.9 214,-2.4 -2,-0.4 2,-0.3 -0.747 23.4-132.9-141.1 179.4 42.5 43.1 22.6 8 7 A L E -ab 221 30A 5 21,-1.6 23,-0.9 212,-0.2 2,-0.2 -0.966 28.2-107.7-139.6 146.7 42.6 39.4 23.3 9 8 A G E - b 0 31A 21 212,-0.9 2,-0.3 -2,-0.3 23,-0.2 -0.590 34.3-118.7 -80.5 143.1 39.9 36.7 23.5 10 9 A Y + 0 0 19 21,-2.8 2,-0.3 -2,-0.2 23,-0.2 -0.635 34.4 173.4 -82.1 134.5 38.9 35.3 26.9 11 10 A R > - 0 0 69 -2,-0.3 3,-1.8 21,-0.1 4,-0.3 -0.974 40.6-123.8-134.1 140.8 39.4 31.6 27.6 12 11 A R G > S+ 0 0 70 -2,-0.3 3,-0.8 1,-0.3 4,-0.2 0.750 113.2 58.1 -57.0 -26.0 38.9 29.9 31.0 13 12 A D G 3 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.618 103.2 49.8 -86.5 -10.9 42.5 28.7 30.7 14 13 A L G X> S+ 0 0 11 -3,-1.8 4,-2.2 1,-0.1 3,-0.7 0.315 79.3 107.7 -96.4 6.9 44.0 32.2 30.3 15 14 A A H <> S+ 0 0 2 -3,-0.8 4,-2.6 -4,-0.3 5,-0.2 0.832 72.7 57.3 -57.6 -34.0 42.0 33.3 33.4 16 15 A E H 3> S+ 0 0 152 -3,-0.2 4,-0.6 -4,-0.2 -1,-0.3 0.895 110.3 42.6 -65.8 -39.4 45.2 33.5 35.5 17 16 A G H X> S+ 0 0 17 -3,-0.7 3,-0.5 2,-0.2 4,-0.5 0.897 115.9 49.3 -69.8 -42.7 46.9 36.0 33.1 18 17 A F H >< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.929 108.0 53.4 -59.9 -45.1 43.7 38.0 32.7 19 18 A L H 3< S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.656 105.8 55.6 -67.3 -18.5 43.1 38.3 36.5 20 19 A Q H << S+ 0 0 147 -4,-0.6 2,-0.3 -3,-0.5 -1,-0.3 0.538 76.8 112.1 -92.5 -6.3 46.7 39.6 36.9 21 20 A L << - 0 0 27 -3,-1.3 3,-0.1 -4,-0.5 34,-0.0 -0.517 54.4-160.3 -66.1 121.0 46.2 42.5 34.5 22 21 A R S S- 0 0 122 -2,-0.3 2,-0.2 1,-0.0 -1,-0.2 0.639 70.5 -12.5 -80.9 -13.4 46.3 45.6 36.7 23 22 A N S S- 0 0 70 4,-0.0 4,-0.3 -3,-0.0 3,-0.3 -0.908 72.6 -97.1-163.1-174.7 44.5 47.7 34.0 24 23 A N S S+ 0 0 46 -2,-0.2 31,-0.0 1,-0.1 -3,-0.0 -0.101 81.5 111.8-107.5 38.0 43.4 47.6 30.3 25 24 A D S S+ 0 0 121 1,-0.1 3,-0.2 2,-0.0 -1,-0.1 0.820 94.0 18.7 -77.4 -30.4 46.4 49.6 29.0 26 25 A R S S+ 0 0 73 1,-0.3 2,-1.1 -3,-0.3 -20,-0.2 0.821 133.3 40.0-105.8 -55.0 47.9 46.7 27.1 27 26 A I S S- 0 0 0 -4,-0.3 -1,-0.3 1,-0.2 -20,-0.2 -0.859 79.2-179.8 -91.7 94.9 45.0 44.2 26.8 28 27 A Q - 0 0 21 -22,-2.1 2,-0.3 -2,-1.1 -21,-0.2 0.721 59.2 -8.1 -80.1 -23.2 42.6 47.0 26.1 29 28 A F - 0 0 0 -23,-0.3 -21,-1.6 26,-0.2 2,-0.3 -0.950 64.4-143.8-157.1 168.5 39.4 44.9 25.7 30 29 A X E -bc 8 57A 0 26,-2.5 28,-1.9 -2,-0.3 2,-0.4 -0.908 11.4-130.1-135.5 168.4 38.5 41.2 25.6 31 30 A E E +bc 9 58A 21 -23,-0.9 -21,-2.8 -2,-0.3 2,-0.3 -0.921 19.6 179.7-123.5 144.7 36.0 39.1 23.8 32 31 A I E - c 0 59A 7 26,-1.6 28,-1.9 -2,-0.4 -21,-0.1 -0.980 22.7-132.8-141.0 145.0 33.5 36.5 25.0 33 32 A A >> - 0 0 9 -2,-0.3 4,-2.1 -23,-0.2 3,-0.8 -0.837 15.3-137.2 -94.4 138.7 30.9 34.3 23.3 34 33 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.773 104.7 63.8 -61.8 -29.1 27.4 34.1 24.9 35 34 A E H 3> S+ 0 0 34 1,-0.2 4,-0.6 2,-0.2 26,-0.1 0.841 110.1 38.0 -65.6 -32.5 27.4 30.4 24.2 36 35 A N H <4 S+ 0 0 88 -3,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.826 115.6 51.5 -85.7 -37.3 30.4 30.1 26.6 37 36 A W H >< S+ 0 0 20 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.927 106.7 54.4 -63.3 -47.1 29.3 32.7 29.1 38 37 A I H 3< S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.851 112.5 44.2 -55.1 -38.0 25.8 31.0 29.5 39 38 A K T 3< S+ 0 0 121 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.299 85.5 122.2-100.3 11.9 27.5 27.7 30.3 40 39 A X < - 0 0 39 -3,-1.4 2,-0.1 -4,-0.3 -3,-0.0 -0.467 60.0-125.4 -66.3 138.2 30.1 29.0 32.8 41 40 A G > - 0 0 45 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.243 34.1 -92.5 -70.8 170.0 30.1 27.6 36.3 42 41 A G H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.905 125.6 41.0 -53.6 -48.1 29.9 29.8 39.4 43 42 A F H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 113.6 51.7 -75.4 -38.5 33.6 30.0 39.8 44 43 A A H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 112.6 47.5 -59.0 -40.8 34.5 30.4 36.1 45 44 A R H X S+ 0 0 57 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.908 108.4 55.0 -68.1 -42.6 31.9 33.2 36.0 46 45 A Y H X S+ 0 0 134 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.939 109.1 47.4 -52.9 -48.4 33.3 34.8 39.1 47 46 A Q H X S+ 0 0 37 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.922 114.2 47.3 -60.4 -46.9 36.8 34.9 37.5 48 47 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.941 112.9 47.4 -55.4 -56.2 35.3 36.4 34.3 49 48 A D H < S+ 0 0 46 -4,-3.5 4,-0.3 1,-0.2 -2,-0.2 0.854 111.4 52.6 -55.3 -38.5 33.3 39.0 36.2 50 49 A K H >< S+ 0 0 86 -4,-2.5 3,-0.6 -5,-0.3 4,-0.3 0.852 110.4 46.1 -67.4 -38.6 36.4 39.9 38.2 51 50 A V H >X S+ 0 0 5 -4,-1.9 4,-2.3 1,-0.2 3,-1.9 0.881 105.2 62.4 -69.1 -38.6 38.5 40.4 35.1 52 51 A A T 3< S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.524 87.8 72.8 -63.1 -12.3 35.6 42.5 33.5 53 52 A E T <4 S+ 0 0 143 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.745 117.5 17.0 -70.8 -25.2 36.1 45.0 36.4 54 53 A K T <4 S+ 0 0 86 -3,-1.9 -2,-0.2 -4,-0.3 -30,-0.1 0.676 124.0 54.2-115.8 -30.5 39.3 46.0 34.6 55 54 A I S < S- 0 0 0 -4,-2.3 -1,-0.2 -32,-0.1 -26,-0.2 -0.951 80.0-134.7-117.3 109.8 39.1 44.8 31.0 56 55 A P - 0 0 18 0, 0.0 -26,-2.5 0, 0.0 2,-0.3 -0.299 21.6-127.4 -66.7 159.9 36.0 45.8 29.0 57 56 A I E -c 30 0A 3 30,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.735 18.8-167.6-118.9 143.3 34.1 43.3 26.8 58 57 A L E -c 31 0A 0 -28,-1.9 -26,-1.6 -2,-0.3 2,-0.6 -0.979 26.5-134.7-120.7 141.8 32.9 42.9 23.3 59 58 A I E +c 32 0A 0 -2,-0.4 34,-1.4 32,-0.4 2,-0.5 -0.871 25.7 174.6-103.3 121.5 30.4 40.1 22.6 60 59 A H B -d 93 0A 3 -28,-1.9 34,-0.2 -2,-0.6 2,-0.2 -0.957 18.2-154.7-128.8 111.7 31.0 38.0 19.6 61 60 A G - 0 0 0 32,-2.6 34,-0.2 -2,-0.5 -28,-0.1 -0.529 15.7-158.8 -98.4 155.1 28.6 35.1 19.3 62 61 A L S S+ 0 0 81 -2,-0.2 3,-0.2 32,-0.1 -1,-0.1 0.775 79.5 33.8 -97.1 -31.8 29.0 31.7 17.6 63 62 A S + 0 0 49 1,-0.1 35,-0.1 2,-0.1 -1,-0.1 0.406 67.3 108.5-123.1 2.9 25.5 30.3 17.0 64 63 A L - 0 0 6 33,-0.1 9,-0.2 1,-0.1 -1,-0.1 0.690 64.8-149.0 -62.1 -16.2 22.7 32.9 16.2 65 64 A S > - 0 0 26 -3,-0.2 3,-1.2 32,-0.1 31,-0.2 0.929 16.9-172.7 52.4 67.8 22.7 31.6 12.6 66 65 A L T 3 S+ 0 0 0 29,-1.8 50,-0.3 1,-0.3 30,-0.2 0.700 82.0 37.5 -69.4 -23.0 21.7 35.0 10.9 67 66 A G T 3 S+ 0 0 17 29,-2.3 -1,-0.3 28,-0.2 46,-0.1 0.226 96.7 110.5-109.1 11.4 21.2 33.5 7.4 68 67 A G < - 0 0 17 -3,-1.2 4,-0.1 28,-0.3 29,-0.0 -0.214 69.2-130.8 -84.4 173.2 19.8 30.2 8.6 69 68 A Q S S+ 0 0 153 2,-0.1 -1,-0.1 -2,-0.0 3,-0.1 0.658 77.1 97.7-101.0 -22.2 16.2 29.0 8.1 70 69 A A S S- 0 0 67 1,-0.1 -2,-0.1 -5,-0.1 3,-0.1 -0.381 90.3 -94.9 -65.5 147.1 15.5 27.9 11.7 71 70 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.289 51.7 -87.4 -68.5 153.9 13.7 30.6 13.6 72 71 A L - 0 0 32 1,-0.1 2,-0.8 -3,-0.1 -7,-0.1 -0.308 43.4-112.2 -61.4 138.7 15.9 32.9 15.7 73 72 A D > - 0 0 84 -9,-0.2 4,-2.4 1,-0.2 5,-0.1 -0.658 29.2-172.3 -76.2 106.0 16.6 31.6 19.2 74 73 A K H > S+ 0 0 59 -2,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.805 85.3 56.8 -70.1 -28.3 14.8 34.0 21.7 75 74 A E H > S+ 0 0 98 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.949 112.4 41.8 -67.0 -48.2 16.5 32.2 24.7 76 75 A L H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.916 112.9 52.9 -59.9 -50.6 20.0 33.0 23.2 77 76 A L H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.859 107.1 54.5 -54.0 -38.5 18.9 36.5 22.1 78 77 A S H X S+ 0 0 61 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.847 107.4 48.1 -66.2 -37.0 17.8 37.2 25.7 79 78 A S H X S+ 0 0 30 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.864 110.5 52.6 -71.1 -34.0 21.1 36.2 27.2 80 79 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.947 111.1 46.1 -64.4 -44.1 22.8 38.5 24.6 81 80 A K H X S+ 0 0 73 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.887 112.2 52.2 -65.3 -36.6 20.6 41.4 25.7 82 81 A A H X S+ 0 0 47 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.904 110.5 46.9 -65.0 -44.7 21.3 40.5 29.4 83 82 A X H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 6,-0.3 0.874 109.0 54.4 -62.0 -43.8 25.1 40.5 28.8 84 83 A I H <>S+ 0 0 19 -4,-2.4 5,-1.9 2,-0.2 4,-0.3 0.932 115.9 39.6 -56.0 -47.0 24.9 43.9 26.9 85 84 A K H ><5S+ 0 0 79 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.936 117.5 48.8 -67.2 -49.9 23.1 45.4 29.9 86 85 A Q H 3<5S+ 0 0 101 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.863 121.8 32.1 -61.8 -41.0 25.2 43.6 32.5 87 86 A Y T 3<5S- 0 0 28 -4,-2.8 -30,-0.3 -5,-0.1 -1,-0.2 0.263 104.6-124.9-105.4 6.6 28.7 44.5 31.0 88 87 A N T < 5 + 0 0 109 -3,-0.7 -3,-0.2 -4,-0.3 -4,-0.1 0.900 61.6 143.0 55.5 49.5 27.5 47.8 29.6 89 88 A T < - 0 0 1 -5,-1.9 2,-2.0 -6,-0.3 -1,-0.2 -0.839 36.9-165.4-130.4 95.7 28.7 46.8 26.1 90 89 A P + 0 0 69 0, 0.0 2,-0.3 0, 0.0 37,-0.2 -0.426 58.7 92.7 -86.9 65.5 26.5 48.0 23.2 91 90 A F + 0 0 4 -2,-2.0 -32,-0.4 165,-0.1 2,-0.3 -0.972 41.9 171.1-147.7 145.5 28.0 45.8 20.5 92 91 A F + 0 0 0 35,-0.4 37,-1.8 -2,-0.3 2,-0.3 -0.909 3.2 177.0-154.2 135.0 27.1 42.4 19.2 93 92 A S E +de 60 129A 0 -34,-1.4 -32,-2.6 -2,-0.3 2,-0.2 -0.987 7.5 158.2-131.6 152.5 28.5 40.5 16.2 94 93 A D E - e 0 130A 1 35,-1.4 37,-2.7 -2,-0.3 2,-0.2 -0.770 32.5 -99.1-147.2-164.1 27.8 37.0 14.9 95 94 A H - 0 0 23 -2,-0.2 -29,-1.8 35,-0.2 -28,-0.2 -0.697 24.5-114.1-121.4 166.4 28.1 34.9 11.7 96 95 A L S S+ 0 0 30 35,-0.5 -29,-2.3 -2,-0.2 -28,-0.3 0.931 92.5 20.0 -69.1 -47.9 25.8 33.8 8.8 97 96 A S 0 0 55 -32,-0.2 -32,-0.1 -31,-0.1 -1,-0.1 -0.842 360.0 360.0-125.1 159.7 25.9 30.0 9.5 98 97 A F 0 0 115 -2,-0.3 -36,-0.1 -35,-0.1 -1,-0.0 0.023 360.0 360.0 68.5 360.0 26.7 27.4 12.2 99 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 107 A L 0 0 120 0, 0.0 37,-0.2 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0-119.3 27.5 20.1 3.9 101 108 A L - 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