==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-AUG-05 2AJ0 . COMPND 2 MOLECULE: PROBABLE CADMIUM-TRANSPORTING ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,X.-C.SU,R.MIRAS,N.BAL, . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 69.0 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 . 18 25.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 1.4 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 25.4 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 1 0 0 0 0 1 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 . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 223 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.4 -15.4 -9.0 -11.7 2 2 A A - 0 0 62 45,-0.1 45,-0.1 3,-0.0 3,-0.1 0.067 360.0-169.6-173.7 -53.7 -13.2 -6.0 -10.8 3 3 A E + 0 0 113 1,-0.2 44,-2.5 43,-0.1 2,-0.3 0.798 47.7 116.0 49.0 44.8 -10.6 -7.3 -8.3 4 4 A K E +A 46 0A 141 42,-0.2 2,-0.3 44,-0.1 42,-0.2 -0.960 36.8 171.3-136.5 143.8 -9.4 -3.9 -7.3 5 5 A T E -A 45 0A 68 40,-2.8 40,-3.0 -2,-0.3 2,-0.4 -0.977 19.7-149.8-151.9 154.8 -9.7 -2.3 -3.9 6 6 A V E -A 44 0A 36 -2,-0.3 62,-0.4 38,-0.3 2,-0.3 -0.996 10.3-164.8-131.3 138.0 -8.5 0.8 -2.1 7 7 A Y E -A 43 0A 19 36,-2.4 36,-2.9 -2,-0.4 2,-0.4 -0.847 26.9-112.0-116.5 151.2 -7.8 1.0 1.6 8 8 A R E -AB 42 66A 120 58,-2.7 58,-3.0 -2,-0.3 2,-0.3 -0.753 36.5-171.2 -87.9 131.9 -7.3 4.3 3.6 9 9 A V E -AB 41 65A 5 32,-1.2 32,-0.7 -2,-0.4 2,-0.3 -0.940 6.2-176.9-125.9 147.7 -3.7 4.8 4.9 10 10 A D E + B 0 64A 80 54,-1.7 54,-1.2 -2,-0.3 2,-0.4 -0.980 47.7 47.2-141.2 151.8 -2.3 7.5 7.3 11 11 A G S S+ 0 0 50 28,-0.4 52,-0.1 -2,-0.3 2,-0.0 -0.741 80.5 78.0 127.7 -79.8 1.1 8.4 8.7 12 12 A L - 0 0 9 -2,-0.4 27,-2.4 1,-0.1 -1,-0.2 -0.323 47.7-172.9 -73.4 150.9 3.8 8.7 6.1 13 13 A S + 0 0 102 25,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.483 43.5 99.6-144.5 63.8 4.1 11.7 3.8 14 14 A C >> - 0 0 65 1,-0.1 4,-2.4 -2,-0.0 3,-0.6 -0.886 58.2-144.0-155.5 123.8 6.8 11.2 1.1 15 15 A T H 3> S+ 0 0 125 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.836 105.1 57.4 -48.4 -41.1 6.5 10.3 -2.6 16 16 A N H 3> S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 108.2 45.7 -61.3 -42.4 9.8 8.3 -2.3 17 17 A C H <> S+ 0 0 36 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.912 110.9 53.1 -67.8 -40.6 8.2 6.2 0.5 18 18 A A H X S+ 0 0 9 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.940 109.2 49.9 -54.3 -46.2 5.1 5.8 -1.6 19 19 A A H X S+ 0 0 46 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.902 108.9 51.1 -60.9 -43.9 7.3 4.5 -4.4 20 20 A K H X S+ 0 0 126 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.958 113.2 47.6 -54.2 -51.6 9.0 2.1 -2.0 21 21 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.950 109.8 47.9 -55.3 -60.5 5.5 0.9 -1.0 22 22 A E H X S+ 0 0 57 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.901 115.0 47.8 -56.7 -38.6 4.0 0.4 -4.5 23 23 A R H X S+ 0 0 190 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.931 108.2 54.0 -64.7 -46.4 7.1 -1.5 -5.5 24 24 A N H X S+ 0 0 49 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.889 111.1 47.6 -52.4 -41.9 6.9 -3.6 -2.3 25 25 A V H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 6,-0.3 0.979 108.1 53.5 -62.7 -55.1 3.3 -4.4 -3.5 26 26 A K H 3< S+ 0 0 103 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.814 99.3 64.4 -48.5 -37.7 4.5 -5.2 -7.0 27 27 A E H 3< S+ 0 0 162 -4,-2.4 2,-0.3 -5,-0.1 -1,-0.3 0.816 85.2 88.9 -54.0 -34.7 7.0 -7.7 -5.5 28 28 A I S X< S- 0 0 27 -3,-2.1 3,-1.1 -4,-0.7 21,-0.0 -0.547 73.8-147.2 -70.0 129.7 4.0 -9.8 -4.2 29 29 A E T 3 S+ 0 0 202 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.583 92.6 69.2 -71.1 -11.1 2.8 -12.3 -6.8 30 30 A G T 3 S+ 0 0 23 -5,-0.1 18,-1.5 20,-0.1 2,-0.3 0.667 94.3 61.3 -81.2 -22.0 -0.8 -11.9 -5.6 31 31 A V E < -C 47 0A 13 -3,-1.1 16,-0.3 -6,-0.3 3,-0.1 -0.795 51.4-173.7-111.6 152.7 -1.2 -8.3 -7.0 32 32 A T E S+ 0 0 107 14,-2.7 2,-0.3 1,-0.4 15,-0.2 0.773 74.9 9.8-106.7 -56.5 -1.0 -7.0 -10.5 33 33 A E E -C 46 0A 121 13,-2.5 13,-2.8 2,-0.0 -1,-0.4 -0.873 56.4-175.7-125.5 161.3 -1.2 -3.2 -9.9 34 34 A A E -C 45 0A 10 -2,-0.3 2,-0.4 11,-0.3 11,-0.3 -0.964 7.6-167.2-151.2 139.9 -1.1 -0.8 -7.0 35 35 A I E -C 44 0A 103 9,-1.9 9,-3.1 -2,-0.3 2,-0.5 -0.957 16.9-174.4-133.0 106.4 -1.6 3.0 -6.9 36 36 A V E +C 43 0A 16 -2,-0.4 7,-0.2 7,-0.2 -14,-0.1 -0.930 16.4 169.2-120.8 118.6 -0.4 4.4 -3.5 37 37 A N + 0 0 94 5,-2.8 6,-0.2 -2,-0.5 -1,-0.2 0.895 15.2 166.6 -99.1 -49.3 -0.9 8.0 -2.5 38 38 A F + 0 0 6 4,-0.9 2,-2.5 1,-0.1 4,-0.2 -0.125 41.4 90.7 58.5-162.8 -0.1 8.3 1.2 39 39 A G S S- 0 0 37 -27,-2.4 -28,-0.4 1,-0.2 -1,-0.1 -0.432 125.9 -21.4 78.1 -69.9 0.4 11.8 2.8 40 40 A A S S+ 0 0 87 -2,-2.5 -1,-0.2 -30,-0.1 -30,-0.1 -0.352 128.9 64.3-166.2 61.6 -3.3 12.1 3.7 41 41 A S E S-A 9 0A 50 -32,-0.7 -32,-1.2 0, 0.0 2,-0.3 -0.274 75.9 -68.5-155.1-125.0 -5.0 9.6 1.2 42 42 A K E -A 8 0A 84 -34,-0.3 -5,-2.8 -4,-0.2 -4,-0.9 -0.915 21.6-121.1-158.6 165.6 -5.2 5.9 0.3 43 43 A I E -AC 7 36A 0 -36,-2.9 -36,-2.4 -2,-0.3 2,-0.3 -0.973 22.9-158.0-129.4 104.8 -3.6 2.8 -1.1 44 44 A T E -AC 6 35A 36 -9,-3.1 -9,-1.9 -2,-0.5 2,-0.3 -0.738 10.5-175.1 -84.8 139.5 -5.1 1.1 -4.2 45 45 A V E +AC 5 34A 2 -40,-3.0 -40,-2.8 -2,-0.3 2,-0.3 -0.963 3.2 179.3-134.4 138.6 -4.3 -2.5 -4.8 46 46 A T E +AC 4 33A 38 -13,-2.8 -14,-2.7 -2,-0.3 -13,-2.5 -0.983 45.9 54.8-147.9 133.8 -5.4 -4.5 -7.9 47 47 A G E S- C 0 31A 19 -44,-2.5 -16,-0.3 -2,-0.3 -45,-0.1 -0.765 112.1 -44.7 151.8 -92.7 -4.8 -8.0 -9.0 48 48 A E S S+ 0 0 173 -18,-1.5 2,-0.3 -2,-0.3 -17,-0.1 -0.207 102.2 90.8-165.9 52.0 -5.8 -10.8 -6.4 49 49 A A - 0 0 26 -46,-0.2 2,-0.2 -21,-0.0 -2,-0.1 -0.967 55.7-132.8-150.5 166.6 -4.5 -9.6 -3.0 50 50 A S >> - 0 0 65 -2,-0.3 3,-1.3 -4,-0.0 4,-0.8 -0.728 38.5 -94.8-119.7 165.4 -5.4 -7.7 0.2 51 51 A I H >> S+ 0 0 10 1,-0.2 4,-2.7 -2,-0.2 3,-0.9 0.864 109.5 80.4 -46.9 -46.9 -3.8 -5.0 2.4 52 52 A Q H 3> S+ 0 0 131 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.735 95.5 44.2 -29.9 -50.7 -2.5 -7.8 4.8 53 53 A Q H <> S+ 0 0 104 -3,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.950 117.8 43.7 -65.0 -48.4 0.4 -8.5 2.4 54 54 A V H < S+ 0 0 148 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.944 113.1 47.7 -51.6 -56.4 3.6 -6.7 6.2 57 57 A A H >< S+ 0 0 17 -4,-2.0 3,-2.4 1,-0.3 -2,-0.2 0.928 104.1 61.3 -48.2 -51.5 5.6 -4.7 3.7 58 58 A G H >X>S+ 0 0 3 -4,-3.0 3,-2.4 1,-0.3 4,-2.2 0.650 77.0 90.1 -58.7 -16.1 4.5 -1.5 5.5 59 59 A A T <<5 + 0 0 53 -3,-1.6 -1,-0.3 -4,-0.8 -2,-0.2 0.720 68.9 78.7 -50.7 -21.7 6.3 -2.7 8.6 60 60 A F T <45S+ 0 0 78 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.854 118.7 9.9 -54.1 -36.0 9.3 -0.9 7.1 61 61 A E T <45S- 0 0 102 -3,-2.4 -2,-0.2 -4,-0.1 -1,-0.2 0.401 106.7-117.7-121.3 -7.6 7.7 2.3 8.5 62 62 A H T <5 - 0 0 160 -4,-2.2 -3,-0.2 -7,-0.2 -4,-0.1 0.950 44.7-172.8 71.8 53.9 4.8 0.8 10.6 63 63 A L < - 0 0 29 -5,-0.8 2,-0.5 -8,-0.2 -52,-0.1 -0.293 22.0-136.5 -77.8 164.4 1.8 2.2 8.7 64 64 A K E +B 10 0A 111 -54,-1.2 -54,-1.7 2,-0.0 2,-0.4 -0.982 25.8 179.0-121.7 112.6 -1.8 2.0 9.8 65 65 A I E -B 9 0A 22 -2,-0.5 -56,-0.2 -56,-0.2 -23,-0.1 -0.905 10.3-158.4-113.6 143.5 -4.1 1.1 6.8 66 66 A I E -B 8 0A 84 -58,-3.0 -58,-2.7 -2,-0.4 2,-0.7 -0.994 18.5-128.8-128.1 122.7 -7.9 0.7 7.2 67 67 A P - 0 0 81 0, 0.0 -60,-0.1 0, 0.0 -58,-0.0 -0.641 34.0-128.4 -66.5 111.8 -10.2 -1.2 4.9 68 68 A E + 0 0 93 -2,-0.7 2,-0.3 -62,-0.4 -62,-0.1 -0.300 33.6 179.3 -54.3 147.1 -13.0 1.3 4.2 69 69 A K + 0 0 168 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.954 22.7 177.3-152.5 136.8 -16.5 -0.2 4.8 70 70 A E 0 0 195 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.822 360.0 360.0-140.0 98.0 -20.0 1.3 4.5 71 71 A A 0 0 145 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.810 360.0 360.0 168.5 360.0 -22.6 -1.5 5.2