==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-MAR-08 2ROE . COMPND 2 MOLECULE: HEAVY METAL BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR D.SAKAKIBARA,A.SASAKI,T.IKEYA,J.HAMATSU,H.KOYAMA,M.MISHIMA, . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 66.7 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 . 13 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 3 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 25.8 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+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 1 0 0 1 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 148 0, 0.0 42,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 122.1 -9.2 -3.1 7.4 2 2 A L B -A 42 0A 35 40,-1.3 40,-1.8 42,-0.4 2,-0.4 -0.414 360.0-140.3 -70.6 150.5 -7.8 -4.4 4.1 3 3 A K - 0 0 102 38,-0.2 62,-2.2 -2,-0.1 2,-0.3 -0.926 19.8-179.0-116.2 131.2 -4.4 -6.3 4.0 4 4 A L E -C 64 0B 0 -2,-0.4 36,-1.5 60,-0.3 2,-0.5 -0.975 19.6-146.1-132.6 144.4 -1.8 -5.8 1.3 5 5 A K E -CD 63 39B 88 58,-3.1 58,-2.1 -2,-0.3 2,-0.4 -0.963 19.7-168.3-110.9 115.7 1.5 -7.5 0.7 6 6 A V E -C 62 0B 2 32,-2.0 2,-0.4 -2,-0.5 56,-0.2 -0.910 2.8-167.4-108.9 142.6 4.1 -5.1 -0.9 7 7 A E E +C 61 0B 97 54,-3.1 54,-1.7 -2,-0.4 3,-0.1 -0.971 64.8 34.6-135.5 116.0 7.4 -6.3 -2.3 8 8 A G + 0 0 53 -2,-0.4 2,-0.9 1,-0.3 -1,-0.1 0.198 68.1 125.9 130.6 -17.0 10.3 -4.0 -3.3 9 9 A M + 0 0 18 1,-0.2 -1,-0.3 5,-0.1 29,-0.1 -0.655 19.1 153.8 -73.4 108.0 10.1 -1.1 -0.7 10 10 A T + 0 0 131 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.103 58.4 48.3-121.2 16.9 13.7 -1.2 0.7 11 11 A C S >> S- 0 0 57 1,-0.1 4,-1.5 0, 0.0 3,-0.9 -0.978 82.5-117.5-151.9 152.5 13.9 2.5 1.8 12 12 A N H 3> S+ 0 0 103 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.845 114.3 64.5 -61.0 -30.9 11.6 5.0 3.7 13 13 A H H 3> S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 102.0 48.8 -59.2 -39.2 11.4 7.0 0.5 14 14 A C H <> S+ 0 0 13 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.960 110.8 49.9 -63.7 -53.7 9.6 4.1 -1.2 15 15 A V H X S+ 0 0 15 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.898 111.5 47.2 -54.9 -50.5 7.2 3.7 1.7 16 16 A M H X S+ 0 0 93 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.907 112.3 49.5 -63.5 -41.0 6.2 7.4 1.9 17 17 A A H X S+ 0 0 35 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.954 115.7 43.8 -59.9 -48.9 5.6 7.6 -1.9 18 18 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.845 108.2 59.8 -63.3 -39.1 3.5 4.4 -1.8 19 19 A T H X S+ 0 0 39 -4,-2.7 4,-1.7 -5,-0.2 3,-0.3 0.978 112.7 37.5 -55.5 -58.9 1.6 5.7 1.4 20 20 A K H X S+ 0 0 145 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.901 112.6 59.2 -61.5 -41.1 0.4 8.8 -0.5 21 21 A A H >< S+ 0 0 4 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.878 106.6 46.7 -55.9 -43.1 -0.1 6.8 -3.7 22 22 A L H >< S+ 0 0 0 -4,-2.5 3,-1.8 -3,-0.3 -1,-0.2 0.886 104.8 61.4 -68.9 -36.1 -2.6 4.4 -1.9 23 23 A K H 3< S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.3 5,-0.2 0.631 87.8 73.9 -65.7 -13.1 -4.4 7.5 -0.4 24 24 A K T << S+ 0 0 141 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.463 76.1 104.1 -75.4 -8.0 -5.2 8.7 -4.0 25 25 A V S X S- 0 0 15 -3,-1.8 3,-2.1 1,-0.1 2,-0.5 -0.655 85.9-109.1 -79.0 134.6 -7.9 5.9 -4.1 26 26 A P T 3 S+ 0 0 121 0, 0.0 21,-0.3 0, 0.0 -2,-0.1 -0.507 107.8 29.7 -67.1 112.9 -11.5 6.9 -3.8 27 27 A G T 3 S+ 0 0 25 -2,-0.5 18,-1.5 1,-0.4 19,-0.8 0.311 85.5 126.5 118.9 -4.0 -12.5 5.5 -0.3 28 28 A V < + 0 0 15 -3,-2.1 -1,-0.4 16,-0.2 3,-0.1 -0.740 17.6 158.6 -87.4 140.0 -9.1 5.7 1.5 29 29 A E + 0 0 142 1,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.708 67.0 1.7-118.8 -59.8 -9.0 7.5 4.9 30 30 A K - 0 0 125 2,-0.0 13,-2.7 0, 0.0 14,-1.0 -0.902 60.1-177.3-135.8 159.0 -6.0 6.2 6.7 31 31 A V E -B 42 0A 8 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.939 16.0-150.5-148.7 162.8 -3.2 3.7 6.0 32 32 A E E -B 41 0A 129 9,-2.0 9,-2.1 -2,-0.3 2,-0.5 -0.915 17.1-176.2-144.5 107.8 -0.2 2.1 7.8 33 33 A V E -B 40 0A 16 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.951 7.7-159.3-114.2 122.6 2.8 1.1 5.6 34 34 A S - 0 0 26 5,-2.0 -25,-0.0 -2,-0.5 -2,-0.0 -0.210 16.3-152.2 -84.7-177.7 5.8 -0.6 7.1 35 35 A L S S+ 0 0 74 -2,-0.1 -1,-0.1 -25,-0.1 -21,-0.0 0.379 97.3 35.7-132.4 -14.2 9.4 -0.9 5.7 36 36 A E S S+ 0 0 185 3,-0.1 -2,-0.0 -26,-0.0 -26,-0.0 0.650 116.5 49.8-114.7 -27.3 10.3 -4.2 7.4 37 37 A K S S- 0 0 143 2,-0.1 3,-0.1 -32,-0.0 -31,-0.1 0.592 92.8-135.1 -90.0 -15.1 7.0 -6.1 7.3 38 38 A G + 0 0 21 1,-0.2 -32,-2.0 -29,-0.1 2,-0.3 0.887 62.3 130.3 60.9 35.4 6.2 -5.6 3.6 39 39 A E B -D 5 0B 48 -34,-0.2 -5,-2.0 -36,-0.0 -1,-0.2 -0.919 44.3-168.8-122.1 154.4 2.6 -4.7 4.6 40 40 A A E - B 0 33A 0 -36,-1.5 -7,-0.2 -2,-0.3 2,-0.1 -0.694 16.2-163.7-143.8 79.4 0.3 -1.8 3.7 41 41 A L E - B 0 32A 31 -9,-2.1 -9,-2.0 -2,-0.2 2,-0.4 -0.375 3.4-155.2 -66.7 145.8 -2.8 -1.8 5.9 42 42 A V E -AB 2 31A 0 -40,-1.8 -40,-1.3 -11,-0.2 -11,-0.2 -0.995 17.1-175.9-128.4 127.3 -5.8 0.4 4.8 43 43 A E + 0 0 125 -13,-2.7 -12,-0.2 -2,-0.4 -1,-0.1 0.674 63.1 87.8 -93.6 -23.1 -8.5 1.7 7.2 44 44 A G S S- 0 0 10 -14,-1.0 -42,-0.4 1,-0.1 -16,-0.2 -0.060 88.8-111.6 -69.1 176.4 -10.7 3.2 4.5 45 45 A T + 0 0 130 -18,-1.5 -17,-0.2 -44,-0.1 -1,-0.1 0.174 69.5 135.1 -95.5 10.4 -13.5 1.3 2.6 46 46 A A - 0 0 7 -19,-0.8 -19,-0.1 -21,-0.1 -44,-0.1 -0.142 60.5-103.4 -58.3 160.7 -11.6 1.4 -0.7 47 47 A D > - 0 0 90 -21,-0.3 4,-1.5 1,-0.1 -1,-0.1 -0.629 18.7-128.1 -87.7 149.4 -11.4 -1.8 -2.9 48 48 A P H > S+ 0 0 25 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.832 107.3 58.0 -65.6 -33.2 -8.2 -3.9 -3.0 49 49 A K H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.943 110.2 43.1 -61.6 -48.0 -8.0 -3.9 -6.8 50 50 A A H > S+ 0 0 32 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.785 115.5 51.4 -67.8 -30.0 -7.9 -0.1 -6.8 51 51 A L H X S+ 0 0 0 -4,-1.5 4,-0.8 2,-0.2 3,-0.4 0.978 109.9 45.0 -71.7 -59.0 -5.4 -0.1 -3.9 52 52 A V H >X S+ 0 0 31 -4,-2.8 4,-2.5 1,-0.2 3,-1.1 0.870 108.5 61.3 -52.5 -40.0 -2.8 -2.6 -5.4 53 53 A Q H 3X S+ 0 0 121 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.919 99.7 53.6 -53.2 -51.3 -3.1 -0.7 -8.7 54 54 A A H 3< S+ 0 0 10 -4,-1.3 4,-0.3 -3,-0.4 -1,-0.3 0.727 112.2 44.7 -59.5 -26.2 -1.8 2.5 -7.0 55 55 A V H X<>S+ 0 0 0 -3,-1.1 5,-1.3 -4,-0.8 3,-0.9 0.863 110.9 51.7 -83.7 -43.2 1.3 0.6 -5.7 56 56 A E H ><5S+ 0 0 93 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.853 103.5 61.4 -60.7 -32.7 2.0 -1.2 -9.0 57 57 A E T 3<5S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.780 95.8 59.4 -64.8 -29.1 1.8 2.3 -10.7 58 58 A E T < 5S- 0 0 80 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.466 124.9-105.2 -79.6 -0.7 4.8 3.4 -8.5 59 59 A G T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.600 85.9 112.2 87.9 11.6 6.8 0.5 -10.2 60 60 A Y < - 0 0 57 -5,-1.3 2,-0.4 -46,-0.1 -1,-0.3 -0.480 68.8-108.5-103.0-178.7 6.7 -1.9 -7.2 61 61 A K E +C 7 0B 119 -54,-1.7 -54,-3.1 -2,-0.2 2,-0.3 -0.960 40.9 165.9-116.4 131.0 4.9 -5.3 -6.8 62 62 A A E -C 6 0B 9 -2,-0.4 2,-0.3 -56,-0.2 -56,-0.2 -0.960 12.5-178.9-141.2 159.1 1.9 -5.7 -4.5 63 63 A E E -C 5 0B 110 -58,-2.1 -58,-3.1 -2,-0.3 2,-0.1 -0.978 28.7-114.3-155.5 144.0 -1.0 -8.2 -3.9 64 64 A V E -C 4 0B 53 -2,-0.3 -60,-0.3 -60,-0.2 -62,-0.0 -0.446 8.5-153.8 -78.0 158.8 -4.0 -8.3 -1.6 65 65 A L 0 0 91 -62,-2.2 -61,-0.1 -2,-0.1 -1,-0.1 -0.078 360.0 360.0-119.3 21.2 -4.2 -10.9 1.2 66 66 A A 0 0 106 -63,-0.3 -1,-0.1 -64,-0.0 -62,-0.1 0.903 360.0 360.0 -83.8 360.0 -8.1 -10.8 1.3