==== 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 2AJ1 . 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) . 5093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 66.2 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 . 19 26.8 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 . 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 . 6 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 22.5 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 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 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 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 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 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.2 -2.5 -2.6 -10.3 2 2 A A - 0 0 71 2,-0.1 2,-1.8 45,-0.0 46,-0.1 -0.123 360.0-145.8 163.8 68.0 -0.3 0.4 -9.5 3 3 A E E +A 47 0A 77 44,-0.7 44,-2.0 43,-0.1 46,-0.4 -0.398 34.8 154.8 -74.8 84.1 2.3 -0.9 -7.0 4 4 A K E +A 46 0A 162 -2,-1.8 2,-0.3 42,-0.3 42,-0.3 -0.851 15.0 165.3 -89.6 141.3 3.1 1.9 -4.6 5 5 A T E -A 45 0A 61 40,-2.7 40,-3.1 -2,-0.4 2,-0.4 -0.973 24.2-151.6-152.2 150.9 4.4 0.6 -1.2 6 6 A V E -A 44 0A 46 -2,-0.3 62,-0.5 38,-0.3 2,-0.3 -0.994 12.5-173.8-129.3 138.1 6.1 2.1 1.7 7 7 A Y E -A 43 0A 21 36,-2.5 36,-3.0 -2,-0.4 2,-0.3 -0.882 26.4-114.6-123.1 150.3 8.5 0.3 4.1 8 8 A R E -AB 42 66A 146 58,-2.8 58,-2.4 -2,-0.3 2,-0.3 -0.744 28.3-164.4 -85.6 142.3 10.1 1.5 7.4 9 9 A V E - B 0 65A 8 32,-1.6 2,-0.3 -2,-0.3 32,-0.3 -0.924 8.6-176.3-122.0 147.4 13.9 1.8 7.4 10 10 A D E + B 0 64A 104 54,-1.7 54,-1.1 -2,-0.3 3,-0.1 -0.999 45.7 47.5-148.9 149.2 16.1 2.1 10.5 11 11 A G S S+ 0 0 52 1,-0.4 52,-0.1 -2,-0.3 51,-0.0 -0.486 85.2 77.9 127.4 -62.5 19.7 2.6 11.6 12 12 A L - 0 0 22 -2,-0.1 -1,-0.4 2,-0.0 27,-0.2 -0.096 43.9-174.1 -77.5 176.9 21.1 5.5 9.6 13 13 A S + 0 0 100 -3,-0.1 2,-0.3 25,-0.1 -1,-0.0 -0.261 40.7 114.2-168.2 69.1 20.8 9.3 10.0 14 14 A C > - 0 0 53 1,-0.1 4,-2.4 2,-0.0 3,-0.3 -0.927 51.3-150.1-150.6 123.9 22.4 11.2 7.1 15 15 A T H > S+ 0 0 119 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.873 102.3 57.0 -53.1 -43.7 20.9 13.4 4.3 16 16 A N H > S+ 0 0 128 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.919 108.9 46.1 -57.2 -43.8 23.8 12.5 2.0 17 17 A C H > S+ 0 0 17 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.916 110.5 53.3 -67.3 -42.2 22.9 8.8 2.4 18 18 A A H X S+ 0 0 14 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.947 112.0 45.8 -50.2 -51.1 19.2 9.7 1.9 19 19 A A H X S+ 0 0 50 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.947 113.7 47.3 -60.9 -52.9 20.2 11.4 -1.4 20 20 A K H X S+ 0 0 113 -4,-2.9 4,-2.9 -5,-0.2 -1,-0.2 0.866 113.9 51.0 -54.7 -39.7 22.4 8.5 -2.5 21 21 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.974 109.8 45.1 -67.8 -56.1 19.6 6.1 -1.5 22 22 A E H X S+ 0 0 68 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.911 116.8 48.7 -55.6 -41.4 16.7 7.8 -3.5 23 23 A R H X S+ 0 0 154 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.952 108.1 53.0 -60.5 -52.2 19.1 8.1 -6.4 24 24 A N H < S+ 0 0 42 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.923 113.3 45.0 -47.6 -50.2 20.1 4.4 -6.1 25 25 A V H >< S+ 0 0 0 -4,-2.8 3,-2.4 1,-0.2 6,-0.3 0.952 111.0 52.3 -59.9 -52.3 16.4 3.6 -6.2 26 26 A K H 3< S+ 0 0 114 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 102.5 60.3 -52.7 -37.8 15.8 6.0 -9.2 27 27 A E T 3< S+ 0 0 114 -4,-2.7 2,-0.4 -5,-0.1 -1,-0.3 0.502 86.2 93.4 -72.7 -3.9 18.6 4.3 -11.1 28 28 A I S < S- 0 0 28 -3,-2.4 3,-0.4 -4,-0.2 21,-0.0 -0.761 71.1-148.0 -84.3 138.5 16.6 1.0 -10.9 29 29 A E S S+ 0 0 197 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.674 88.2 65.9 -81.6 -21.4 14.5 0.5 -14.0 30 30 A G S S+ 0 0 33 17,-0.1 18,-1.6 20,-0.1 2,-0.2 0.701 92.7 69.8 -76.6 -25.0 11.6 -1.4 -12.3 31 31 A V E -C 47 0A 14 -3,-0.4 16,-0.3 -6,-0.3 3,-0.1 -0.614 55.8-169.2 -92.6 157.0 10.5 1.5 -10.2 32 32 A T E S+ 0 0 116 14,-2.9 2,-0.3 1,-0.5 15,-0.2 0.745 74.8 2.7-109.1 -55.1 8.8 4.7 -11.5 33 33 A E E -C 46 0A 129 13,-2.8 13,-2.7 2,-0.0 -1,-0.5 -0.911 60.0-176.3-128.4 161.7 9.0 7.0 -8.4 34 34 A A E -C 45 0A 6 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.961 8.7-163.1-154.5 142.9 10.4 6.6 -4.9 35 35 A I E -C 44 0A 103 9,-2.3 9,-2.9 -2,-0.3 2,-0.6 -0.947 10.4-162.3-133.6 106.2 10.3 9.0 -1.9 36 36 A V E -C 43 0A 20 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.831 10.6-173.3-100.3 113.6 12.8 8.3 0.9 37 37 A N E > +C 42 0A 86 5,-3.0 5,-1.4 -2,-0.6 3,-0.4 -0.705 24.9 174.4-101.7 72.5 12.1 9.8 4.3 38 38 A F T 5 + 0 0 30 -2,-0.9 -25,-0.1 3,-0.2 4,-0.1 -0.468 44.5 67.8 -79.9 155.9 15.4 8.8 5.9 39 39 A G T 5S- 0 0 36 -27,-0.2 -28,-0.2 -2,-0.1 -1,-0.2 -0.550 127.2 -17.8 130.7 -62.1 16.4 10.0 9.4 40 40 A A T 5S+ 0 0 88 -3,-0.4 -2,-0.1 2,-0.1 -30,-0.1 -0.213 124.8 50.8-168.3 55.2 13.9 8.0 11.5 41 41 A S T 5S- 0 0 60 -32,-0.3 -32,-1.6 -4,-0.2 2,-0.3 -0.144 78.0 -47.8-155.8-112.2 11.1 7.0 9.2 42 42 A K E < -AC 8 37A 61 -5,-1.4 -5,-3.0 -34,-0.3 2,-0.4 -0.894 22.2-125.5-157.4 165.7 10.4 5.3 5.9 43 43 A I E -AC 7 36A 0 -36,-3.0 -36,-2.5 -2,-0.3 2,-0.4 -0.987 19.8-157.9-134.2 112.3 10.9 4.6 2.2 44 44 A T E -AC 6 35A 35 -9,-2.9 -9,-2.3 -2,-0.4 2,-0.3 -0.833 8.7-171.0 -90.7 134.5 8.1 4.8 -0.4 45 45 A V E -AC 5 34A 0 -40,-3.1 -40,-2.7 -2,-0.4 2,-0.3 -0.914 4.4-178.3-115.6 145.2 8.6 2.9 -3.7 46 46 A T E +AC 4 33A 45 -13,-2.7 -14,-2.9 -2,-0.3 -13,-2.8 -0.948 47.6 50.0-144.6 126.0 6.2 3.4 -6.7 47 47 A G E S-AC 3 31A 16 -44,-2.0 -44,-0.7 -2,-0.3 -16,-0.2 -0.823 111.7 -46.8 162.4-100.0 6.3 1.7 -10.0 48 48 A E S S+ 0 0 156 -18,-1.6 2,-0.3 -2,-0.3 -17,-0.1 -0.305 101.4 97.8-155.7 54.7 6.6 -2.1 -10.3 49 49 A A - 0 0 12 -46,-0.4 2,-0.3 -21,-0.0 -2,-0.2 -0.890 56.0-138.0-136.1 169.9 9.5 -2.9 -7.9 50 50 A S >> - 0 0 69 -2,-0.3 3,-1.3 -4,-0.1 4,-0.7 -0.857 35.2-100.6-127.6 160.4 9.9 -4.1 -4.3 51 51 A I H >> S+ 0 0 9 -2,-0.3 4,-3.2 1,-0.3 3,-0.8 0.823 105.6 85.7 -53.5 -35.9 12.3 -3.1 -1.4 52 52 A Q H 3> S+ 0 0 133 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.779 94.2 42.0 -32.4 -49.7 14.5 -6.1 -2.2 53 53 A Q H <> S+ 0 0 91 -3,-1.3 4,-2.6 2,-0.2 -1,-0.3 0.919 117.5 46.1 -69.2 -42.2 16.4 -4.1 -4.8 54 54 A V H < S+ 0 0 151 -4,-2.6 3,-2.2 -5,-0.3 -2,-0.2 0.947 110.1 50.9 -52.4 -53.2 20.4 -4.6 -1.9 57 57 A A H >< S+ 0 0 25 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.885 102.5 61.4 -48.8 -43.2 21.4 -1.0 -2.8 58 58 A G G >X>S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 4,-1.8 0.526 71.5 99.4 -70.4 -4.0 21.4 -0.1 0.9 59 59 A A G <45 + 0 0 58 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.757 64.9 78.8 -50.7 -24.2 24.2 -2.7 1.4 60 60 A F G <45S+ 0 0 68 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.1 0.826 118.2 10.3 -54.0 -33.3 26.5 0.4 1.3 61 61 A E T <45S- 0 0 84 -3,-2.4 -2,-0.2 -4,-0.1 -1,-0.2 0.355 105.2-117.9-123.6 -1.6 25.4 1.0 5.0 62 62 A H T <5 - 0 0 158 -4,-1.8 -3,-0.2 -7,-0.1 -6,-0.1 0.924 44.5-173.9 65.3 47.1 23.6 -2.4 5.6 63 63 A L < - 0 0 19 -5,-1.1 2,-0.5 -8,-0.2 -1,-0.1 -0.403 19.3-140.1 -69.5 151.4 20.2 -0.8 6.3 64 64 A K E -B 10 0A 104 -54,-1.1 -54,-1.7 -2,-0.1 2,-0.5 -0.975 18.3-170.5-108.9 125.8 17.3 -3.0 7.5 65 65 A I E -B 9 0A 9 -2,-0.5 -56,-0.3 -56,-0.2 -10,-0.1 -0.991 2.4-164.9-120.0 120.2 14.0 -2.1 5.9 66 66 A I E -B 8 0A 116 -58,-2.4 -58,-2.8 -2,-0.5 2,-0.5 -0.903 28.7-112.3-107.0 130.5 10.9 -3.8 7.3 67 67 A P - 0 0 76 0, 0.0 2,-2.8 0, 0.0 -60,-0.2 -0.542 20.8-140.1 -61.9 114.8 7.6 -3.7 5.3 68 68 A E - 0 0 64 -2,-0.5 2,-0.9 -62,-0.5 -62,-0.1 -0.418 32.5-173.7 -67.0 60.6 5.2 -1.5 7.4 69 69 A K - 0 0 144 -2,-2.8 -62,-0.0 1,-0.0 -1,-0.0 -0.556 18.8-136.8 -71.2 105.3 2.5 -4.0 6.5 70 70 A E 0 0 167 -2,-0.9 -1,-0.0 1,-0.2 -2,-0.0 -0.352 360.0 360.0 -52.3 138.6 -0.8 -2.5 7.8 71 71 A A 0 0 131 -2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.993 360.0 360.0 66.6 360.0 -2.8 -5.3 9.6