==== 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 13-JUL-08 3DSO . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN COPK; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA METALLIDURANS; . AUTHOR M.-R.ASH,M.J.MAHER . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 63.6 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 . 25 37.9 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 8 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 13.6 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+4), 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 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 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 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 . 1 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A V 0 0 99 0, 0.0 2,-1.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.0 4.3 21.6 6.4 2 2 A D > + 0 0 91 1,-0.2 3,-2.2 2,-0.1 4,-0.3 -0.622 360.0 176.1 -88.9 77.2 1.6 20.6 8.9 3 3 A M G > + 0 0 97 -2,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.702 67.1 71.7 -68.1 -23.0 4.0 19.5 11.5 4 4 A S G 3 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.744 105.1 41.2 -60.7 -23.1 1.4 18.6 14.1 5 5 A N G < S+ 0 0 70 -3,-2.2 17,-2.5 16,-0.0 2,-0.5 0.303 92.8 104.0-107.9 10.3 0.4 15.6 11.9 6 6 A V E < -A 21 0A 22 -3,-1.0 15,-0.3 -4,-0.3 3,-0.1 -0.794 44.7-177.9 -87.9 126.3 4.0 14.7 11.1 7 7 A V E + 0 0 91 13,-2.7 2,-0.3 -2,-0.5 14,-0.2 0.718 69.8 11.6 -95.8 -26.1 5.2 11.7 13.1 8 8 A K E -A 20 0A 89 12,-1.4 12,-2.8 2,-0.0 2,-0.4 -0.982 58.9-164.5-152.8 138.8 8.8 11.6 11.9 9 9 A T E -A 19 0A 37 -2,-0.3 2,-0.6 10,-0.2 10,-0.2 -0.991 9.2-153.4-120.5 137.9 11.1 13.9 9.9 10 10 A Y E -A 18 0A 29 8,-2.7 8,-2.3 -2,-0.4 2,-0.7 -0.960 9.6-152.6-107.0 121.0 14.4 12.8 8.2 11 11 A D E -A 17 0A 42 -2,-0.6 36,-2.8 6,-0.2 37,-0.3 -0.854 17.9-150.5 -97.0 108.7 16.8 15.7 7.8 12 12 A L B > -D 46 0B 5 4,-2.5 3,-2.2 -2,-0.7 34,-0.3 -0.477 23.0-113.3 -83.7 155.2 19.0 14.9 4.9 13 13 A Q T 3 S+ 0 0 106 32,-2.9 33,-0.1 1,-0.3 -1,-0.1 0.793 115.5 58.8 -53.5 -35.9 22.6 16.0 4.4 14 14 A D T 3 S- 0 0 90 31,-0.3 17,-0.3 1,-0.1 -1,-0.3 0.347 122.1-103.8 -80.7 9.6 21.6 18.2 1.4 15 15 A G S < S+ 0 0 31 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.386 82.1 125.9 85.1 -6.3 19.2 20.2 3.6 16 16 A S - 0 0 3 14,-0.1 -4,-2.5 15,-0.1 2,-0.4 -0.336 47.5-143.8 -75.7 167.9 16.0 18.5 2.3 17 17 A K E -AB 11 29A 65 12,-2.8 12,-2.2 -6,-0.2 2,-0.5 -1.000 8.5-153.7-136.9 139.5 13.5 16.9 4.6 18 18 A V E -AB 10 28A 0 -8,-2.3 -8,-2.7 -2,-0.4 2,-0.4 -0.943 17.8-163.6-106.2 128.3 11.3 13.9 4.3 19 19 A H E -AB 9 27A 6 8,-2.6 8,-2.3 -2,-0.5 2,-0.5 -0.946 6.3-161.2-117.5 131.7 8.1 14.0 6.5 20 20 A V E -AB 8 26A 26 -12,-2.8 -13,-2.7 -2,-0.4 -12,-1.4 -0.946 17.2-146.7-113.2 131.4 6.0 11.1 7.3 21 21 A F E > -A 6 0A 48 4,-2.8 3,-2.1 -2,-0.5 -15,-0.2 -0.517 25.8-107.7 -99.9 162.3 2.4 11.8 8.5 22 22 A K T 3 S+ 0 0 143 -17,-2.5 -16,-0.1 1,-0.3 -1,-0.1 0.808 119.8 53.4 -54.9 -32.9 0.1 10.1 10.9 23 23 A D T 3 S- 0 0 106 -18,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.292 123.0-103.9 -90.3 8.7 -2.1 8.7 8.0 24 24 A G S < S+ 0 0 37 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.0 0.315 76.7 135.4 91.3 -7.1 1.0 7.2 6.4 25 25 A K - 0 0 128 -5,-0.1 -4,-2.8 1,-0.0 2,-0.4 -0.315 37.0-158.0 -68.5 158.1 1.5 9.7 3.6 26 26 A M E +B 20 0A 22 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.994 14.2 171.4-140.3 143.6 5.0 10.9 3.0 27 27 A G E -B 19 0A 25 -8,-2.3 -8,-2.6 -2,-0.4 2,-0.3 -0.933 16.5-143.1-144.9 172.3 6.3 14.1 1.3 28 28 A M E -BC 18 36A 11 8,-0.6 8,-2.3 -2,-0.3 2,-0.3 -0.988 9.5-173.9-140.7 144.9 9.6 15.9 0.8 29 29 A E E -BC 17 35A 42 -12,-2.2 -12,-2.8 -2,-0.3 6,-0.2 -0.986 22.6-126.8-134.5 141.6 10.8 19.5 0.6 30 30 A N > - 0 0 44 4,-2.9 3,-2.2 -2,-0.3 -14,-0.1 -0.223 45.0 -83.5 -73.4-178.3 14.1 20.9 -0.3 31 31 A K T 3 S+ 0 0 142 -17,-0.3 -15,-0.1 1,-0.3 -1,-0.1 0.626 130.6 51.9 -62.2 -19.1 16.1 23.4 2.0 32 32 A F T 3 S- 0 0 172 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.326 122.5-104.0 -98.6 3.4 14.1 26.4 0.6 33 33 A G S < S+ 0 0 46 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.616 71.8 146.8 83.0 13.2 10.8 24.7 1.3 34 34 A K - 0 0 145 1,-0.1 -4,-2.9 0, 0.0 -1,-0.3 -0.669 53.5-110.7 -82.5 133.4 10.1 23.8 -2.3 35 35 A S E -C 29 0A 102 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.364 36.9-166.4 -62.5 143.3 8.2 20.6 -2.7 36 36 A M E -C 28 0A 59 -8,-2.3 -8,-0.6 -2,-0.1 2,-0.2 -0.968 24.6-115.4-128.6 146.7 10.1 17.6 -4.2 37 37 A N - 0 0 157 -2,-0.3 -10,-0.1 -10,-0.1 -8,-0.0 -0.561 43.9-110.9 -70.5 143.5 9.1 14.3 -5.7 38 38 A M - 0 0 64 -2,-0.2 2,-1.0 -12,-0.1 -1,-0.1 -0.631 23.1-128.0 -80.8 124.7 10.5 11.6 -3.5 39 39 A P > - 0 0 33 0, 0.0 3,-1.0 0, 0.0 15,-0.5 -0.610 26.6-147.7 -75.9 106.7 13.3 9.6 -5.2 40 40 A E T 3 S+ 0 0 131 -2,-1.0 15,-0.2 1,-0.2 3,-0.1 -0.517 76.1 11.8 -73.0 140.4 12.2 6.0 -4.8 41 41 A G T 3 S+ 0 0 40 13,-3.2 2,-0.5 1,-0.2 -1,-0.2 0.694 94.9 126.8 70.0 17.4 14.9 3.4 -4.3 42 42 A K < - 0 0 106 -3,-1.0 12,-0.5 12,-0.3 2,-0.3 -0.946 61.7-125.6-108.0 128.4 17.7 6.0 -3.8 43 43 A V - 0 0 86 -2,-0.5 2,-0.4 10,-0.1 10,-0.2 -0.597 32.2-172.9 -71.9 131.0 20.0 5.8 -0.7 44 44 A M E -E 52 0C 9 8,-2.5 8,-3.0 -2,-0.3 2,-0.4 -0.987 14.1-139.5-129.0 135.3 19.8 9.1 1.1 45 45 A E E -E 51 0C 75 -2,-0.4 -32,-2.9 6,-0.2 -31,-0.3 -0.801 13.4-141.7-100.7 135.8 22.0 10.1 4.1 46 46 A T B > -D 12 0B 8 4,-3.4 3,-2.0 -2,-0.4 -34,-0.3 -0.412 30.0-102.7 -88.1 168.2 20.7 12.0 7.1 47 47 A R T 3 S+ 0 0 152 -36,-2.8 -35,-0.1 1,-0.3 -1,-0.1 0.756 122.7 50.7 -60.7 -26.9 22.5 14.7 9.0 48 48 A D T 3 S- 0 0 126 -37,-0.3 -1,-0.3 2,-0.1 -36,-0.1 0.308 124.9 -99.5 -97.4 12.8 23.4 12.3 11.8 49 49 A G S < S+ 0 0 36 -3,-2.0 -2,-0.1 1,-0.3 2,-0.0 0.328 77.6 136.4 94.0 -10.0 24.8 9.7 9.4 50 50 A T - 0 0 35 -5,-0.1 -4,-3.4 11,-0.0 2,-0.4 -0.398 43.5-146.2 -62.3 147.0 21.7 7.4 9.2 51 51 A K E -E 45 0C 80 -6,-0.3 11,-2.4 -39,-0.0 2,-0.3 -0.965 18.4-174.9-115.2 142.7 21.0 6.2 5.6 52 52 A I E -EF 44 61C 1 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.3 -0.900 15.5-161.0-130.8 159.4 17.5 5.6 4.3 53 53 A I E - F 0 60C 59 7,-2.3 7,-3.0 -2,-0.3 2,-0.5 -0.992 13.2-145.3-134.9 139.3 15.7 4.3 1.2 54 54 A M E + F 0 59C 8 -15,-0.5 -13,-3.2 -12,-0.5 2,-0.3 -0.897 31.1 155.8-102.3 126.7 12.1 5.0 0.3 55 55 A K E > + F 0 58C 126 3,-2.4 3,-1.4 -2,-0.5 -2,-0.1 -0.958 65.4 0.9-151.1 132.6 10.3 2.1 -1.5 56 56 A G T 3 S- 0 0 52 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.846 127.7 -60.7 60.9 36.4 6.6 1.2 -1.7 57 57 A N T 3 S+ 0 0 93 1,-0.2 2,-0.3 -31,-0.0 -1,-0.3 0.681 116.9 109.8 59.2 25.0 5.7 4.3 0.4 58 58 A E E < -F 55 0C 126 -3,-1.4 -3,-2.4 -32,-0.0 2,-0.5 -0.912 65.7-127.6-126.5 152.1 7.8 2.9 3.3 59 59 A I E -F 54 0C 39 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.891 17.8-165.5-103.6 127.9 11.1 4.0 4.8 60 60 A F E -F 53 0C 115 -7,-3.0 -7,-2.3 -2,-0.5 2,-0.3 -0.925 9.2-161.7-108.8 135.2 14.0 1.5 5.2 61 61 A R E -F 52 0C 137 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.908 33.2 -86.9-122.1 145.4 16.9 2.5 7.5 62 62 A L - 0 0 101 -11,-2.4 2,-0.7 -2,-0.3 -1,-0.0 -0.215 54.0-105.4 -51.3 136.2 20.4 1.1 7.7 63 63 A D > - 0 0 102 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 -0.482 26.0-158.6 -70.6 110.9 20.4 -1.8 10.1 64 64 A E T 3 S+ 0 0 175 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.721 87.0 73.7 -60.0 -22.3 22.0 -0.6 13.4 65 65 A A T 3 0 0 86 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.739 360.0 360.0 -60.5 -25.7 22.7 -4.2 14.3 66 66 A L < 0 0 188 -3,-2.0 -1,-0.2 0, 0.0 -2,-0.2 0.571 360.0 360.0-100.4 360.0 25.4 -4.2 11.6