==== 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 07-SEP-10 3ORU . COMPND 2 MOLECULE: DUF1989 FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RUEGERIA SP. TM1040; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 25.5 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 . 2 0.9 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 . 1 0.4 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 . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.8 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 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 1 3 0 3 1 1 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 2 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 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 2 A T 0 0 94 0, 0.0 2,-0.0 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 133.3 -12.8 -60.2 2.0 2 3 A S > - 0 0 59 1,-0.1 3,-2.1 2,-0.1 0, 0.0 -0.340 360.0-124.0 -61.0 145.0 -16.2 -60.0 3.7 3 4 A F T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.0 4,-0.1 0.578 107.0 74.4 -76.9 -5.3 -16.0 -58.2 7.1 4 5 A D T 3 S+ 0 0 149 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.692 91.0 73.2 -69.5 -18.4 -17.6 -61.2 8.8 5 6 A R S < S- 0 0 38 -3,-2.1 3,-0.1 1,-0.1 0, 0.0 -0.690 99.1 -95.9 -94.5 151.3 -14.1 -62.7 8.3 6 7 A P - 0 0 95 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.247 39.6-102.6 -67.8 151.3 -11.1 -61.6 10.4 7 8 A F - 0 0 142 -4,-0.1 2,-0.5 1,-0.0 -4,-0.0 -0.490 33.0-157.7 -65.8 138.6 -8.7 -59.0 9.2 8 9 A E > - 0 0 96 -2,-0.2 3,-1.1 3,-0.2 151,-0.1 -0.929 11.0-161.8-128.3 110.4 -5.4 -60.4 7.9 9 10 A A T 3 S+ 0 0 10 -2,-0.5 -1,-0.1 149,-0.3 149,-0.1 0.800 92.7 44.8 -57.5 -32.8 -2.4 -58.2 7.8 10 11 A A T 3 S+ 0 0 36 147,-0.1 -1,-0.2 146,-0.1 141,-0.1 0.595 88.5 99.3 -88.3 -14.0 -0.5 -60.4 5.4 11 12 A R < - 0 0 84 -3,-1.1 -3,-0.2 145,-0.1 2,-0.1 -0.658 66.1-139.6 -85.9 115.3 -3.3 -61.1 2.9 12 13 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.462 3.2-147.3 -68.7 144.9 -3.3 -59.0 -0.3 13 14 A D S S- 0 0 49 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.492 78.5 -13.4 -85.7 -6.9 -6.6 -57.8 -1.6 14 15 A G S S- 0 0 23 124,-0.1 2,-0.3 130,-0.0 -1,-0.1 -0.949 75.0 -95.6-173.1-169.7 -5.4 -58.0 -5.2 15 16 A E + 0 0 87 -2,-0.3 130,-0.1 -3,-0.1 125,-0.0 -0.913 30.7 155.4-131.4 146.1 -2.3 -58.4 -7.4 16 17 A N > - 0 0 14 -2,-0.3 3,-2.2 128,-0.1 4,-0.2 -0.861 65.8 -76.9-147.9 179.9 0.3 -56.4 -9.3 17 18 A P G >> S+ 0 0 51 0, 0.0 4,-2.8 0, 0.0 3,-1.8 0.687 116.5 83.5 -61.2 -13.1 3.9 -57.3 -10.4 18 19 A S G 34 S+ 0 0 0 1,-0.3 134,-0.3 2,-0.2 23,-0.0 0.726 80.6 65.8 -57.0 -22.6 5.0 -56.5 -6.8 19 20 A A G <4 S+ 0 0 46 -3,-2.2 -1,-0.3 1,-0.1 3,-0.0 0.752 119.8 15.1 -68.5 -28.3 3.9 -60.1 -6.0 20 21 A H T <4 S+ 0 0 122 -3,-1.8 2,-0.4 -4,-0.2 -2,-0.2 0.660 105.7 80.3-127.8 -15.8 6.6 -61.6 -8.1 21 22 A E < - 0 0 96 -4,-2.8 2,-0.3 2,-0.0 131,-0.1 -0.771 50.5-172.0-100.5 137.6 9.3 -59.2 -9.1 22 23 A T - 0 0 54 -2,-0.4 3,-0.1 21,-0.1 23,-0.1 -0.887 31.4-125.7-117.5 153.4 12.2 -58.3 -6.8 23 24 A L S S- 0 0 30 21,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.862 92.1 -15.4 -63.2 -37.5 14.8 -55.6 -7.4 24 25 A A S > S- 0 0 21 5,-0.1 3,-2.5 -3,-0.0 -1,-0.2 -0.949 99.5 -60.1-159.3 164.2 17.6 -58.1 -6.9 25 26 A E G > S- 0 0 175 -2,-0.3 3,-1.8 1,-0.3 128,-0.1 -0.265 123.3 -3.9 -57.8 127.8 17.8 -61.6 -5.4 26 27 A G G 3 S- 0 0 13 1,-0.3 -1,-0.3 126,-0.2 3,-0.1 0.635 120.4 -76.7 67.9 11.0 16.7 -61.6 -1.8 27 28 A G G < S+ 0 0 0 -3,-2.5 19,-2.2 1,-0.2 2,-1.0 0.642 93.2 143.3 69.4 18.4 16.3 -57.8 -1.9 28 29 A R < - 0 0 151 -3,-1.8 -1,-0.2 17,-0.2 -3,-0.2 -0.764 38.2-154.7 -96.7 96.8 20.1 -57.5 -1.7 29 30 A L - 0 0 12 -2,-1.0 -5,-0.1 17,-0.4 3,-0.0 -0.399 19.8-109.9 -73.3 147.2 21.0 -54.6 -4.0 30 31 A R > - 0 0 161 -2,-0.1 3,-1.1 1,-0.1 197,-0.4 -0.593 50.0-100.7 -66.8 135.0 24.4 -54.1 -5.7 31 32 A P T 3 S+ 0 0 80 0, 0.0 197,-0.2 0, 0.0 3,-0.1 -0.312 96.1 5.4 -66.1 143.1 26.1 -51.2 -3.9 32 33 A E T 3 S+ 0 0 109 195,-3.2 2,-0.4 1,-0.2 196,-0.1 0.664 98.0 121.1 60.9 28.5 26.1 -47.7 -5.6 33 34 A A < - 0 0 16 -3,-1.1 194,-0.5 194,-0.2 2,-0.4 -0.929 63.0-122.2-117.5 139.4 23.8 -48.8 -8.4 34 35 A T - 0 0 71 -2,-0.4 2,-0.3 192,-0.1 192,-0.2 -0.667 27.7-173.2 -86.1 133.0 20.5 -47.1 -9.0 35 36 A Y E -A 225 0A 26 190,-2.7 190,-2.5 -2,-0.4 2,-0.5 -0.909 14.7-138.1-118.0 150.3 17.3 -49.3 -9.0 36 37 A T E -A 224 0A 60 -2,-0.3 188,-0.2 188,-0.2 186,-0.0 -0.950 1.6-153.7-114.2 123.9 13.8 -48.1 -9.9 37 38 A I E -A 223 0A 0 186,-3.2 186,-1.8 -2,-0.5 3,-0.1 -0.867 36.6-118.9 -89.1 117.1 10.7 -49.1 -8.0 38 39 A P > - 0 0 42 0, 0.0 3,-1.9 0, 0.0 167,-0.4 -0.180 32.6 -86.6 -61.4 152.1 7.9 -48.9 -10.7 39 40 A A T 3 S+ 0 0 34 1,-0.2 183,-0.2 181,-0.1 3,-0.1 -0.230 113.2 13.5 -49.0 142.1 5.0 -46.5 -10.3 40 41 A R T 3 S+ 0 0 65 165,-0.5 -1,-0.2 181,-0.4 2,-0.2 0.398 113.0 95.6 72.6 1.4 2.1 -47.9 -8.4 41 42 A Q < - 0 0 28 -3,-1.9 164,-3.0 165,-0.1 2,-0.3 -0.627 60.2-138.0-119.8 168.9 4.2 -50.8 -7.0 42 43 A G E -F 204 0B 0 162,-0.3 2,-0.3 -2,-0.2 162,-0.2 -0.937 13.0-171.5-126.2 157.4 6.3 -51.7 -3.9 43 44 A R E -F 203 0B 19 160,-2.1 160,-2.2 -2,-0.3 2,-0.3 -0.992 17.7-131.9-144.8 149.7 9.6 -53.5 -3.4 44 45 A A E -F 202 0B 6 105,-0.3 -21,-0.4 -2,-0.3 2,-0.4 -0.784 18.0-166.7-102.7 145.3 11.6 -54.7 -0.4 45 46 A I E -F 201 0B 0 156,-2.8 156,-3.1 -2,-0.3 2,-0.3 -0.996 11.9-143.4-136.0 118.0 15.3 -53.9 0.2 46 47 A R E -F 200 0B 34 -19,-2.2 -17,-0.4 -2,-0.4 2,-0.4 -0.687 19.3-171.8 -81.6 142.1 17.5 -55.7 2.7 47 48 A X E -F 199 0B 6 152,-2.5 152,-2.4 -2,-0.3 2,-0.3 -0.999 16.0-139.7-133.6 134.9 20.1 -53.6 4.5 48 49 A A > - 0 0 41 -2,-0.4 3,-2.5 150,-0.2 147,-0.3 -0.627 47.8 -79.7 -82.2 149.2 22.9 -54.7 6.8 49 50 A Q T 3 S+ 0 0 104 1,-0.3 147,-0.2 -2,-0.3 -1,-0.1 -0.218 119.7 23.1 -49.0 131.1 23.6 -52.6 9.8 50 51 A G T 3 S+ 0 0 18 145,-3.0 -1,-0.3 1,-0.4 146,-0.1 0.224 93.6 118.1 91.3 -15.4 25.6 -49.5 8.9 51 52 A E < - 0 0 42 -3,-2.5 144,-2.7 179,-0.2 -1,-0.4 -0.390 53.9-141.9 -71.3 161.5 24.6 -49.5 5.2 52 53 A A E -BC 194 228A 11 176,-2.1 176,-3.1 142,-0.2 2,-0.4 -0.926 6.0-150.8-128.1 151.9 22.7 -46.4 3.9 53 54 A L E -BC 193 227A 0 140,-2.6 140,-2.4 -2,-0.3 2,-0.4 -0.987 2.9-153.3-128.9 123.0 19.8 -46.1 1.5 54 55 A X E -BC 192 226A 13 172,-3.0 172,-1.7 -2,-0.4 2,-0.5 -0.801 6.7-165.3 -87.6 132.7 19.0 -43.2 -0.8 55 56 A V E -BC 191 225A 0 136,-2.5 136,-2.0 -2,-0.4 2,-0.5 -0.997 14.0-163.1-118.2 120.6 15.4 -42.8 -1.8 56 57 A I E -BC 190 224A 21 168,-3.2 168,-2.2 -2,-0.5 2,-1.8 -0.929 24.6-135.4-118.7 129.9 15.1 -40.4 -4.8 57 58 A N - 0 0 0 132,-3.3 131,-2.5 -2,-0.5 132,-0.5 -0.604 28.5-170.2 -84.7 85.4 12.0 -38.6 -6.0 58 59 A R S S+ 0 0 108 -2,-1.8 -1,-0.2 164,-0.3 165,-0.1 0.787 81.5 21.3 -51.1 -45.5 12.8 -39.4 -9.6 59 60 A D S S- 0 0 39 163,-0.5 128,-0.3 -3,-0.1 -1,-0.3 0.578 108.2-119.2-109.2 -12.1 10.1 -37.1 -11.1 60 61 A G S S+ 0 0 2 126,-0.3 -3,-0.1 129,-0.1 -2,-0.1 0.103 92.9 60.6 111.1 -19.4 9.7 -34.8 -8.2 61 62 A S S S+ 0 0 86 158,-0.1 2,-0.2 123,-0.1 158,-0.1 0.260 70.9 121.7-121.9 6.1 6.1 -35.0 -6.9 62 63 A Q - 0 0 13 160,-0.2 2,-0.4 156,-0.1 -2,-0.1 -0.549 53.7-138.2 -84.2 139.2 5.7 -38.6 -5.9 63 64 A I - 0 0 23 -2,-0.2 143,-1.7 143,-0.2 2,-0.5 -0.758 15.6-157.1 -91.0 133.8 4.8 -39.8 -2.4 64 65 A G E -GH 166 205B 0 102,-1.7 102,-2.6 -2,-0.4 2,-0.5 -0.952 7.6-146.7-113.7 116.8 6.7 -42.8 -1.1 65 66 A D E -GH 165 204B 2 139,-2.6 139,-2.5 -2,-0.5 2,-0.4 -0.740 25.7-164.4 -82.6 124.5 5.2 -45.0 1.6 66 67 A F E +GH 164 203B 1 98,-2.3 98,-2.5 -2,-0.5 2,-0.3 -0.926 16.9 166.6-125.2 129.3 8.2 -46.2 3.7 67 68 A W E - H 0 202B 3 135,-2.5 135,-2.3 -2,-0.4 2,-0.3 -0.933 13.7-161.3-132.1 157.5 8.4 -49.0 6.2 68 69 A A E - H 0 201B 1 -2,-0.3 10,-2.6 10,-0.3 2,-0.3 -0.984 6.1-171.9-145.4 137.2 11.3 -50.9 8.0 69 70 A F E -IH 77 200B 0 131,-2.5 131,-2.5 -2,-0.3 8,-0.2 -0.922 32.9-102.8-121.8 147.7 11.2 -54.3 9.7 70 71 A V E > -IH 73 199B 18 6,-2.5 3,-2.5 3,-0.8 129,-0.3 -0.501 46.3-102.7 -68.3 136.2 13.9 -56.0 11.8 71 72 A E T 3 S+ 0 0 73 127,-2.6 127,-0.1 1,-0.3 -1,-0.1 -0.397 109.7 13.9 -57.9 126.9 15.6 -58.8 9.9 72 73 A G T 3 S+ 0 0 74 -2,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.365 124.3 64.9 85.3 -3.7 14.2 -62.0 11.2 73 74 A D E X +I 70 0B 71 -3,-2.5 3,-1.8 3,-0.2 -3,-0.8 -0.630 45.8 177.7-155.7 92.5 11.2 -60.4 12.9 74 75 A C E 3 S+ 0 0 17 1,-0.3 84,-0.2 82,-0.2 85,-0.2 0.603 81.0 76.7 -70.6 -8.1 8.5 -58.5 11.1 75 76 A G E 3 S+ 0 0 25 82,-0.1 2,-0.5 83,-0.1 -1,-0.3 0.557 89.3 62.4 -75.3 -10.1 6.8 -58.0 14.5 76 77 A E E < S+ 0 0 2 -3,-1.8 -6,-2.5 -6,-0.2 2,-0.3 -0.986 74.3 151.6-117.5 127.4 9.4 -55.3 15.3 77 78 A Y E -I 69 0B 34 -2,-0.5 24,-1.4 -8,-0.2 -8,-0.2 -0.972 55.5 -75.7-152.8 155.2 9.3 -52.3 12.9 78 79 A L B -K 100 0C 4 -10,-2.6 2,-0.5 -2,-0.3 22,-0.3 -0.425 56.7-156.5 -51.9 126.4 9.9 -48.6 12.5 79 80 A S >> - 0 0 1 20,-1.9 4,-2.7 1,-0.1 3,-1.2 -0.929 22.1-159.8-128.2 113.3 6.9 -47.2 14.5 80 81 A X H 3> S+ 0 0 1 -2,-0.5 4,-2.1 82,-0.4 -1,-0.1 0.870 95.2 52.9 -59.5 -42.0 5.5 -43.7 13.9 81 82 A E H 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.2 40,-0.0 0.675 115.4 40.9 -71.9 -16.5 3.8 -43.6 17.3 82 83 A H H <> S+ 0 0 36 -3,-1.2 4,-1.5 17,-0.2 -2,-0.2 0.745 110.1 59.2 -92.0 -32.8 7.1 -44.4 19.0 83 84 A L H X S+ 0 0 1 -4,-2.7 4,-2.2 16,-0.2 5,-0.2 0.919 102.7 54.4 -55.9 -48.6 9.1 -42.1 16.8 84 85 A R H X>S+ 0 0 59 -4,-2.1 4,-1.5 1,-0.2 5,-1.4 0.934 109.5 40.8 -62.2 -52.1 7.2 -39.1 17.8 85 86 A P H 45S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.830 113.7 56.2 -68.8 -27.3 7.5 -39.2 21.6 86 87 A T H <5S+ 0 0 67 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.923 120.1 29.5 -67.2 -43.5 11.2 -40.2 21.3 87 88 A L H <5S- 0 0 39 -4,-2.2 -1,-0.2 2,-0.2 -3,-0.2 0.563 100.0-134.4 -83.6 -15.6 12.0 -37.1 19.2 88 89 A R T <5S+ 0 0 225 -4,-1.5 2,-0.3 -5,-0.2 -4,-0.1 0.890 74.8 101.3 52.1 46.3 9.2 -35.0 20.8 89 90 A R S - 0 0 134 -2,-0.1 3,-2.4 16,-0.1 16,-0.2 -0.865 45.0 -69.3-125.6 159.5 14.8 -34.2 10.4 94 95 A P T 3 S+ 0 0 66 0, 0.0 16,-0.2 0, 0.0 3,-0.1 -0.239 122.5 32.8 -55.2 136.4 18.4 -35.1 9.3 95 96 A G T 3 S+ 0 0 56 14,-3.3 2,-0.3 1,-0.3 15,-0.1 0.107 89.0 130.2 97.8 -16.2 20.3 -36.4 12.3 96 97 A D < - 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E 0 191A 24 -2,-0.3 79,-0.2 79,-0.2 77,-0.1 -0.808 5.8-172.8-158.3 105.3 16.9 -34.6 3.1 113 114 A S + 0 0 47 77,-2.2 78,-0.1 -2,-0.2 76,-0.1 0.599 66.5 81.3 -81.0 -8.9 17.4 -32.2 0.2 114 115 A S S S- 0 0 15 76,-0.4 71,-0.1 1,-0.1 -2,-0.1 -0.259 106.9 -86.8 -80.3-179.2 13.7 -31.1 0.2 115 116 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 70,-0.1 0.564 67.9-104.2 -68.5 -4.4 12.2 -28.5 2.5 116 117 A G + 0 0 27 1,-0.3 2,-0.6 -23,-0.0 -3,-0.0 0.633 68.6 148.5 97.5 16.7 11.7 -31.3 5.0 117 118 A V + 0 0 47 50,-0.1 50,-0.4 52,-0.0 2,-0.3 -0.759 12.6 142.4 -91.9 122.2 7.9 -31.9 4.7 118 119 A H - 0 0 16 -2,-0.6 2,-0.5 49,-0.2 48,-0.2 -0.947 41.6-122.0-148.4 162.1 6.7 -35.5 5.3 119 120 A D B +J 165 0B 6 46,-2.2 46,-2.9 -2,-0.3 49,-0.1 -0.943 28.1 166.5-117.9 133.5 3.7 -37.1 6.9 120 121 A T S S+ 0 0 1 -2,-0.5 -1,-0.1 44,-0.2 -36,-0.1 0.368 71.0 71.1-113.3 1.4 3.8 -39.5 9.8 121 122 A L S S+ 0 0 73 44,-0.1 2,-0.5 2,-0.1 43,-0.1 0.651 78.4 79.7 -94.4 -24.9 0.0 -39.3 10.7 122 123 A V S S- 0 0 51 41,-0.1 3,-0.1 1,-0.1 -3,-0.1 -0.824 71.2-124.3-108.1 129.0 -1.8 -41.0 7.8 123 124 A A - 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