==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-FEB-08 2K0Q . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN COPK; . SOURCE 2 ORGANISM_SCIENTIFIC: CUPRIAVIDUS METALLIDURANS; . AUTHOR B.BERSCH,A.FAVIER,P.SCHANDA,J.COVES,S.VAN AELST,T.VALLAEYS, . 74 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 35.1 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 10 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 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 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 72 0, 0.0 4,-0.2 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -46.1 11.7 0.8 5.0 2 2 A D > - 0 0 111 1,-0.1 3,-0.8 2,-0.1 4,-0.2 0.850 360.0-143.7 67.3 108.6 12.0 2.6 8.4 3 3 A M T 3 S+ 0 0 137 1,-0.2 -1,-0.1 2,-0.2 6,-0.0 0.481 95.5 67.2 -80.6 0.4 9.0 1.9 10.5 4 4 A S T 3 S+ 0 0 99 1,-0.2 -1,-0.2 17,-0.0 -2,-0.1 0.721 102.9 40.9 -91.4 -23.8 9.1 5.5 11.8 5 5 A N S < S+ 0 0 60 -3,-0.8 17,-3.9 -4,-0.2 18,-0.5 0.283 97.6 90.0-109.4 7.8 8.2 7.2 8.5 6 6 A V E -A 21 0A 17 15,-0.3 15,-0.3 -4,-0.2 3,-0.2 -0.922 51.7-168.6-108.5 128.9 5.5 4.7 7.5 7 7 A V E S- 0 0 87 13,-2.3 2,-0.3 -2,-0.5 14,-0.2 0.769 78.9 -3.6 -81.8 -27.8 1.9 5.3 8.5 8 8 A K E -A 20 0A 119 12,-1.3 12,-3.0 2,-0.0 2,-0.4 -0.903 60.4-149.0-167.3 134.3 0.8 1.8 7.4 9 9 A T E -A 19 0A 43 -2,-0.3 2,-0.5 10,-0.2 10,-0.3 -0.899 15.0-148.7-108.2 137.3 2.4 -1.2 5.8 10 10 A Y E -A 18 0A 13 8,-3.9 8,-3.2 -2,-0.4 2,-0.6 -0.920 1.3-152.4-110.6 127.3 0.3 -3.5 3.6 11 11 A D E -A 17 0A 26 -2,-0.5 36,-2.4 6,-0.2 37,-0.6 -0.877 18.5-139.6-100.1 119.2 1.1 -7.2 3.3 12 12 A L B > -D 46 0B 6 4,-3.4 3,-1.7 -2,-0.6 34,-0.3 -0.443 17.3-123.0 -80.5 149.6 0.0 -8.6 0.0 13 13 A Q T 3 S+ 0 0 133 32,-1.3 33,-0.2 1,-0.3 -1,-0.1 0.644 116.1 58.2 -65.5 -11.8 -1.6 -12.0 -0.2 14 14 A D T 3 S- 0 0 97 31,-0.4 -1,-0.3 2,-0.1 17,-0.1 0.622 123.9-105.9 -90.5 -16.5 1.3 -12.8 -2.6 15 15 A G S < S+ 0 0 18 -3,-1.7 18,-0.2 1,-0.5 -2,-0.1 0.072 82.9 122.9 110.5 -22.2 3.8 -12.0 0.1 16 16 A S - 0 0 9 15,-0.1 -4,-3.4 -5,-0.1 -1,-0.5 -0.205 51.4-139.6 -67.7 161.9 4.9 -8.7 -1.4 17 17 A K E -AB 11 29A 61 12,-3.2 12,-3.3 -6,-0.2 2,-0.3 -0.971 14.8-165.0-133.8 146.5 4.5 -5.6 0.7 18 18 A V E -AB 10 28A 1 -8,-3.2 -8,-3.9 -2,-0.4 2,-0.4 -0.919 6.5-162.1-123.6 148.5 3.5 -2.0 0.3 19 19 A H E -AB 9 27A 7 8,-1.6 8,-1.8 -2,-0.3 2,-0.7 -0.988 12.3-150.0-134.5 130.4 4.0 0.9 2.6 20 20 A V E -AB 8 26A 33 -12,-3.0 -13,-2.3 -2,-0.4 -12,-1.3 -0.875 29.3-145.9 -93.5 117.7 2.3 4.2 2.8 21 21 A F E > -A 6 0A 40 4,-3.6 3,-2.0 -2,-0.7 -15,-0.3 -0.496 20.3-121.8 -89.4 155.9 4.8 6.7 4.0 22 22 A K T 3 S+ 0 0 141 -17,-3.9 -16,-0.1 1,-0.3 -1,-0.1 0.605 115.2 63.2 -68.2 -12.0 4.2 9.7 6.2 23 23 A D T 3 S- 0 0 123 -18,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.452 122.0-110.3 -90.8 -4.3 5.8 11.7 3.4 24 24 A G S < S+ 0 0 45 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.264 83.6 106.3 97.6 -12.6 2.9 10.6 1.3 25 25 A K - 0 0 95 -5,-0.1 -4,-3.6 33,-0.0 -1,-0.4 -0.289 58.9-131.8 -88.1-177.0 4.7 8.3 -1.0 26 26 A M E -B 20 0A 30 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.980 8.6-155.3-140.3 145.6 4.7 4.5 -1.1 27 27 A G E -B 19 0A 21 -8,-1.8 -8,-1.6 -2,-0.3 2,-0.4 -0.983 9.3-157.7-126.1 136.7 7.2 1.7 -1.2 28 28 A M E -BC 18 36A 14 8,-0.5 8,-2.8 -2,-0.4 2,-0.3 -0.903 9.7-179.7-118.5 140.9 6.7 -1.8 -2.5 29 29 A E E -BC 17 35A 26 -12,-3.3 -12,-3.2 -2,-0.4 6,-0.2 -0.935 24.4-120.3-130.7 154.9 8.7 -4.9 -1.8 30 30 A N > - 0 0 41 4,-2.3 3,-3.0 -2,-0.3 4,-0.4 -0.401 45.5 -85.3 -87.5 169.8 8.3 -8.5 -3.0 31 31 A K T 3 S+ 0 0 119 1,-0.3 -15,-0.1 -17,-0.1 -1,-0.1 0.359 129.4 60.2 -52.8 5.7 7.7 -11.6 -0.9 32 32 A F T 3 S- 0 0 140 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.257 120.4-105.0-119.8 7.7 11.5 -11.7 -0.5 33 33 A G S < S+ 0 0 36 -3,-3.0 2,-0.4 1,-0.3 -2,-0.1 0.769 74.6 138.6 80.4 24.9 11.8 -8.3 1.1 34 34 A K - 0 0 129 -4,-0.4 -4,-2.3 2,-0.0 -1,-0.3 -0.906 53.6-118.1-114.0 137.0 13.2 -6.6 -1.9 35 35 A S E +C 29 0A 103 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.455 41.0 158.9 -78.1 129.5 12.2 -3.2 -3.1 36 36 A M E -C 28 0A 75 -8,-2.8 -8,-0.5 -2,-0.2 2,-0.1 -0.986 44.2 -89.5-148.1 153.5 10.5 -2.8 -6.5 37 37 A N - 0 0 133 -2,-0.3 -10,-0.1 -10,-0.1 -8,-0.0 -0.350 39.0-122.8 -67.2 141.1 8.3 -0.2 -8.2 38 38 A M - 0 0 20 -12,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.754 27.2-120.0 -87.8 122.7 4.6 -0.5 -7.8 39 39 A P > - 0 0 53 0, 0.0 3,-1.1 0, 0.0 15,-0.5 -0.459 26.0-128.7 -65.8 122.3 2.7 -0.8 -11.2 40 40 A E B 3 S+e 54 0C 108 -2,-0.3 15,-0.2 1,-0.2 3,-0.1 -0.428 89.1 26.4 -69.5 142.9 0.2 2.0 -11.7 41 41 A G T 3 S+ 0 0 43 13,-1.8 2,-0.6 1,-0.2 -1,-0.2 0.290 93.3 115.7 91.5 -11.1 -3.3 1.0 -12.6 42 42 A K < - 0 0 135 -3,-1.1 12,-0.5 12,-0.3 2,-0.5 -0.833 52.7-153.2 -99.8 123.3 -3.1 -2.4 -11.0 43 43 A V E -F 53 0C 80 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.804 20.8-175.7 -91.4 129.7 -5.3 -3.2 -8.0 44 44 A M E -F 52 0C 45 8,-3.1 8,-2.7 -2,-0.5 2,-0.2 -0.863 16.9-122.9-127.0 160.0 -3.8 -5.9 -5.8 45 45 A E E -F 51 0C 92 -2,-0.3 -32,-1.3 6,-0.2 -31,-0.4 -0.640 13.8-144.1-104.6 160.4 -4.9 -7.8 -2.7 46 46 A T B > -D 12 0B 1 4,-1.7 3,-0.9 -34,-0.3 -34,-0.3 -0.718 30.0-111.8-114.0 165.2 -3.6 -8.1 0.8 47 47 A R T 3 S+ 0 0 182 -36,-2.4 -35,-0.1 -2,-0.2 -1,-0.1 0.698 119.4 59.2 -65.4 -18.2 -3.5 -11.1 3.2 48 48 A D T 3 S- 0 0 131 -37,-0.6 -1,-0.2 2,-0.1 -36,-0.1 0.619 122.0-105.5 -91.0 -15.2 -5.9 -9.0 5.3 49 49 A G S < S+ 0 0 60 -3,-0.9 2,-0.3 1,-0.4 -2,-0.1 0.641 75.2 131.1 101.4 17.9 -8.5 -8.8 2.5 50 50 A T - 0 0 16 11,-0.0 -4,-1.7 2,-0.0 2,-0.4 -0.684 46.9-140.7 -97.7 154.7 -8.0 -5.2 1.4 51 51 A K E +F 45 0C 108 -2,-0.3 11,-2.2 -6,-0.2 2,-0.3 -0.964 24.6 174.8-117.9 135.7 -7.6 -4.1 -2.2 52 52 A I E +FG 44 61C 1 -8,-2.7 -8,-3.1 -2,-0.4 2,-0.3 -0.928 9.9 179.9-136.2 158.0 -5.1 -1.3 -3.1 53 53 A I E -FG 43 60C 26 7,-1.5 7,-3.6 -2,-0.3 2,-0.6 -0.973 25.9-128.5-157.1 148.9 -3.7 0.4 -6.2 54 54 A M E +eG 40 59C 41 -12,-0.5 -13,-1.8 -15,-0.5 2,-0.4 -0.888 38.1 163.0-100.2 118.3 -1.3 3.1 -7.0 55 55 A K E > - G 0 58C 116 3,-1.0 3,-1.5 -2,-0.6 -2,-0.1 -0.993 62.1 -2.7-140.6 130.8 -2.8 5.7 -9.4 56 56 A G T 3 S- 0 0 47 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.863 127.7 -57.6 60.1 38.8 -1.6 9.2 -10.2 57 57 A N T 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.561 123.3 101.9 68.6 9.5 1.3 9.0 -7.7 58 58 A E E < S-G 55 0C 142 -3,-1.5 -3,-1.0 -33,-0.0 2,-0.4 -0.512 70.2-121.3-111.6-177.6 -1.3 8.3 -5.0 59 59 A I E -G 54 0C 17 -5,-0.2 2,-0.6 -2,-0.2 -5,-0.2 -0.989 9.6-148.5-134.5 122.2 -2.6 5.2 -3.3 60 60 A F E -G 53 0C 60 -7,-3.6 -7,-1.5 -2,-0.4 2,-0.6 -0.813 11.8-175.0 -83.1 117.1 -6.1 3.8 -3.3 61 61 A R E > S-G 52 0C 99 -2,-0.6 4,-1.5 -9,-0.2 5,-0.4 -0.904 84.8 -49.2-112.7 100.9 -6.8 2.0 -0.1 62 62 A L T 4 S- 0 0 78 -11,-2.2 2,-3.1 -2,-0.6 -10,-0.1 0.559 85.8-113.2 37.0 15.1 -10.3 0.7 -0.9 63 63 A D T >> S+ 0 0 88 1,-0.2 3,-1.8 4,-0.0 4,-1.6 -0.253 112.2 73.7 63.7 -51.4 -10.6 4.4 -1.9 64 64 A E H 3>>S+ 0 0 85 -2,-3.1 4,-2.5 1,-0.3 5,-0.6 0.666 82.7 67.2 -69.8 -15.5 -13.1 5.1 0.9 65 65 A A H 3<5S+ 0 0 14 -4,-1.5 -1,-0.3 1,-0.2 -3,-0.1 0.762 108.8 39.5 -70.0 -25.8 -10.3 4.9 3.5 66 66 A L H <45S+ 0 0 75 -3,-1.8 -2,-0.3 -5,-0.4 -1,-0.2 0.743 113.0 59.6 -87.3 -31.2 -9.1 8.0 1.8 67 67 A R H <5S- 0 0 169 -4,-1.6 -2,-0.2 1,-0.1 -3,-0.2 0.991 138.6 -17.8 -59.4 -66.6 -12.7 9.2 1.5 68 68 A K T <5S+ 0 0 159 -4,-2.5 -3,-0.2 1,-0.1 -1,-0.1 0.160 112.0 97.9-132.2 16.1 -13.7 9.3 5.2 69 69 A G < + 0 0 32 -5,-0.6 2,-0.8 -4,-0.1 -4,-0.1 0.062 46.4 125.9 -96.8 24.4 -11.0 7.1 6.7 70 70 A H + 0 0 151 1,-0.2 -4,-0.1 -4,-0.1 4,-0.1 -0.766 16.9 147.6 -86.1 110.1 -8.8 10.0 7.8 71 71 A S - 0 0 91 -2,-0.8 3,-0.2 2,-0.1 -1,-0.2 0.617 54.2-124.2-114.6 -22.2 -8.2 9.5 11.5 72 72 A E S S+ 0 0 187 1,-0.2 2,-0.6 0, 0.0 -2,-0.1 0.953 92.0 7.7 64.2 88.2 -4.8 11.0 12.0 73 73 A G 0 0 72 -66,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.902 360.0 360.0 114.1-101.8 -3.0 8.1 13.6 74 74 A G 0 0 133 -2,-0.6 -4,-0.0 -3,-0.2 -67,-0.0 -0.992 360.0 360.0 150.6 360.0 -5.2 5.0 13.5