==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-03 1OQ6 . COMPND 2 MOLECULE: POTENTIAL COPPER-TRANSPORTING ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,L.GONNELLI,X.C.SU, . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 68.4 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 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.3 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 . 1 1.3 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 . 7 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.6 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 1 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 . 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 0 240 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.4 -2.0 20.1 14.5 2 2 A L + 0 0 145 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.127 360.0 170.4-161.7 -74.9 0.9 17.6 14.4 3 3 A S - 0 0 77 48,-0.0 48,-0.0 1,-0.0 30,-0.0 0.963 25.8-146.2 48.7 93.2 0.4 14.5 12.2 4 4 A E - 0 0 130 1,-0.0 2,-0.4 0, 0.0 49,-0.2 -0.165 6.8-134.2 -72.8 175.0 3.7 12.7 11.9 5 5 A Q + 0 0 83 46,-0.1 2,-0.3 47,-0.1 46,-0.2 -0.999 22.8 177.4-129.4 141.1 4.7 10.8 8.8 6 6 A K E -A 50 0A 96 44,-2.9 44,-2.6 -2,-0.4 2,-0.6 -0.965 23.1-135.2-139.8 158.4 6.3 7.3 8.6 7 7 A E E -A 49 0A 116 -2,-0.3 42,-0.2 42,-0.2 2,-0.2 -0.951 19.3-165.6-112.7 107.4 7.3 5.0 5.8 8 8 A I E -A 48 0A 44 40,-2.3 40,-0.8 -2,-0.6 2,-0.3 -0.552 4.4-155.4 -84.1 167.0 6.3 1.4 6.1 9 9 A A E +A 47 0A 70 38,-0.2 2,-0.3 -2,-0.2 38,-0.2 -0.976 24.2 155.1-137.8 134.0 7.9 -1.3 3.9 10 10 A M E -A 46 0A 18 36,-2.1 36,-2.6 -2,-0.3 63,-0.2 -0.954 37.3-102.9-153.1 168.6 6.1 -4.6 3.2 11 11 A Q E -AB 45 72A 56 61,-2.6 61,-2.3 -2,-0.3 2,-0.3 -0.495 28.4-143.5 -92.8 164.0 5.9 -7.4 0.6 12 12 A V E + B 0 71A 15 32,-0.8 2,-0.3 59,-0.3 59,-0.2 -0.861 18.2 171.9-124.2 157.2 3.2 -8.1 -2.0 13 13 A S E + B 0 70A 60 57,-2.3 57,-1.5 -2,-0.3 31,-0.0 -0.956 52.1 48.4-155.0 166.7 1.5 -11.2 -3.5 14 14 A G S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.999 76.0 139.2 63.1 74.7 -1.4 -12.0 -5.8 15 15 A M - 0 0 96 1,-0.1 -1,-0.2 54,-0.1 3,-0.1 -0.967 51.0-150.8-146.7 156.0 -0.8 -9.6 -8.7 16 16 A T S S- 0 0 109 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.894 75.6 -20.0 -85.6 -62.8 -0.8 -9.4 -12.5 17 17 A C >> - 0 0 63 0, 0.0 2,-2.6 0, 0.0 4,-1.3 -0.968 67.4 -89.4-155.1 161.0 1.9 -6.8 -13.3 18 18 A A T 34 S+ 0 0 72 -2,-0.3 24,-0.0 1,-0.2 23,-0.0 -0.328 115.5 58.6 -72.9 56.1 4.0 -4.0 -12.0 19 19 A A T >> S+ 0 0 44 -2,-2.6 3,-1.4 22,-0.0 4,-1.3 0.315 97.0 50.8-152.6 -52.6 1.4 -1.4 -13.0 20 20 A C H <> S+ 0 0 33 -3,-0.7 4,-2.5 1,-0.3 -2,-0.2 0.922 102.3 69.3 -59.1 -39.3 -1.8 -2.4 -11.1 21 21 A A H 3X S+ 0 0 0 -4,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.769 97.6 50.4 -41.3 -36.8 0.6 -2.3 -8.2 22 22 A A H <> S+ 0 0 27 -3,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.965 107.0 51.7 -69.8 -53.9 0.7 1.5 -8.8 23 23 A R H X S+ 0 0 166 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.843 105.1 56.7 -57.1 -36.7 -3.1 1.9 -8.7 24 24 A I H X S+ 0 0 6 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.988 114.1 38.4 -56.8 -57.2 -3.4 -0.0 -5.4 25 25 A E H X S+ 0 0 1 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.892 117.4 50.2 -57.1 -45.7 -1.0 2.4 -3.7 26 26 A K H < S+ 0 0 110 -4,-3.0 4,-0.5 2,-0.2 -1,-0.2 0.928 115.2 42.7 -66.7 -43.3 -2.4 5.5 -5.5 27 27 A G H >< S+ 0 0 31 -4,-3.0 3,-1.8 -5,-0.2 -1,-0.2 0.919 111.7 56.3 -60.3 -44.4 -6.0 4.5 -4.6 28 28 A L H >< S+ 0 0 1 -4,-3.0 3,-2.5 -5,-0.3 -2,-0.2 0.906 94.3 66.7 -60.4 -40.9 -4.8 3.6 -1.1 29 29 A K T 3< S+ 0 0 76 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.778 86.6 72.9 -43.5 -32.3 -3.4 7.2 -0.7 30 30 A R T < S+ 0 0 203 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.507 81.1 90.1 -72.9 -4.2 -7.0 8.3 -0.8 31 31 A M S < S- 0 0 64 -3,-2.5 3,-0.3 1,-0.2 24,-0.1 -0.384 91.5 -82.5 -81.8 166.4 -7.7 7.0 2.8 32 32 A P S S+ 0 0 81 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 -0.256 110.2 18.1 -70.5 157.1 -7.2 9.0 6.0 33 33 A G S S+ 0 0 10 1,-0.2 18,-1.8 21,-0.1 2,-0.1 -0.043 99.9 108.1 72.5 -36.1 -3.7 9.4 7.6 34 34 A V E +C 50 0A 10 -2,-1.4 16,-0.3 -3,-0.3 -1,-0.2 -0.442 34.4 164.3 -68.4 144.8 -2.1 8.4 4.3 35 35 A T E + 0 0 83 14,-2.5 2,-0.3 1,-0.5 15,-0.2 0.562 64.3 9.6-133.2 -39.2 -0.3 11.2 2.4 36 36 A D E -C 49 0A 73 13,-2.7 13,-2.7 2,-0.0 -1,-0.5 -0.941 56.6-170.5-139.6 166.3 1.9 9.3 -0.1 37 37 A A E -C 48 0A 2 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.965 1.9-176.4-158.2 138.3 2.3 5.8 -1.4 38 38 A N E -C 47 0A 67 9,-3.0 9,-2.4 -2,-0.3 2,-0.6 -0.946 18.4-145.4-149.6 109.8 5.0 4.3 -3.7 39 39 A V E -C 46 0A 34 -2,-0.4 2,-0.8 7,-0.2 3,-0.3 -0.714 7.6-162.9 -81.5 119.1 5.1 0.7 -4.9 40 40 A N E > > +C 45 0A 65 5,-1.2 5,-2.3 -2,-0.6 3,-2.0 -0.441 32.7 150.6 -99.7 57.3 8.8 -0.4 -5.1 41 41 A L G > 5 + 0 0 27 -2,-0.8 3,-2.4 1,-0.3 -1,-0.2 0.733 54.9 82.7 -69.5 -19.9 7.9 -3.3 -7.4 42 42 A A G 3 5S+ 0 0 106 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.815 110.9 24.0 -46.2 -37.0 11.4 -3.0 -8.9 43 43 A T G < 5S- 0 0 85 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 -0.166 120.7-105.5-124.3 37.2 12.4 -5.0 -5.9 44 44 A E T < 5S+ 0 0 132 -3,-2.4 -32,-0.8 1,-0.2 -3,-0.3 0.705 84.6 118.2 52.1 32.0 9.0 -6.6 -5.3 45 45 A T E < -AC 11 40A 25 -5,-2.3 -5,-1.2 -34,-0.2 2,-0.3 -0.799 52.1-146.2-123.0 159.9 8.3 -4.3 -2.3 46 46 A V E -AC 10 39A 0 -36,-2.6 -36,-2.1 -2,-0.3 2,-0.4 -0.985 7.8-164.2-129.0 144.0 5.7 -1.6 -1.4 47 47 A N E -AC 9 38A 43 -9,-2.4 -9,-3.0 -2,-0.3 2,-0.4 -0.985 2.0-167.3-127.8 138.9 6.2 1.6 0.7 48 48 A V E -AC 8 37A 0 -40,-0.8 -40,-2.3 -2,-0.4 2,-0.7 -0.998 10.3-152.4-134.2 125.5 3.4 3.7 2.1 49 49 A I E +AC 7 36A 40 -13,-2.7 -13,-2.7 -2,-0.4 -14,-2.5 -0.897 42.3 133.4-104.4 101.0 3.9 7.2 3.6 50 50 A Y E -AC 6 34A 19 -44,-2.6 -44,-2.9 -2,-0.7 -16,-0.3 -0.848 62.2 -92.1-142.2 173.0 1.2 7.8 6.2 51 51 A D >> - 0 0 11 -18,-1.8 4,-2.5 -2,-0.3 3,-0.9 -0.872 29.2-155.2 -93.0 115.2 0.6 9.1 9.7 52 52 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.270 91.0 59.8 -81.8 13.1 0.7 6.0 12.1 53 53 A A T 34 S+ 0 0 94 -49,-0.2 3,-0.1 -20,-0.1 -20,-0.0 0.689 119.7 26.2 -92.3 -32.3 -1.5 7.8 14.7 54 54 A E T <4 S+ 0 0 121 -3,-0.9 2,-0.1 -21,-0.1 -21,-0.1 0.887 132.5 33.0-101.1 -55.4 -4.4 8.1 12.2 55 55 A T < + 0 0 11 -4,-2.5 2,-0.2 -24,-0.1 -22,-0.1 -0.344 61.6 152.0 -83.7 176.8 -3.6 5.2 9.9 56 56 A G S S- 0 0 25 -2,-0.1 4,-0.4 -3,-0.1 -3,-0.1 -0.728 72.3 -54.6-171.3-147.5 -2.0 1.9 10.8 57 57 A T S > S+ 0 0 96 -2,-0.2 4,-3.2 2,-0.1 5,-0.2 0.765 118.1 82.0 -76.7 -32.6 -2.4 -1.5 9.1 58 58 A A H > S+ 0 0 70 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.874 95.6 32.6 -50.0 -61.6 -6.2 -1.3 9.4 59 59 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.857 118.7 56.5 -70.0 -34.2 -7.3 0.9 6.6 60 60 A I H > S+ 0 0 8 -4,-0.4 4,-3.3 2,-0.2 -2,-0.2 0.940 108.4 44.8 -60.7 -51.4 -4.5 -0.4 4.4 61 61 A Q H X S+ 0 0 70 -4,-3.2 4,-2.1 2,-0.2 5,-0.2 0.945 113.7 51.6 -62.5 -47.1 -5.5 -4.1 4.8 62 62 A E H X S+ 0 0 145 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.933 116.7 39.5 -48.7 -54.6 -9.2 -3.1 4.2 63 63 A K H X S+ 0 0 40 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.915 107.6 62.3 -64.1 -47.2 -8.2 -1.3 1.0 64 64 A I H X>S+ 0 0 0 -4,-3.3 5,-2.2 1,-0.2 4,-0.6 0.900 108.4 43.9 -46.8 -51.0 -5.6 -3.8 -0.1 65 65 A E H ><5S+ 0 0 126 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.968 114.3 48.3 -57.7 -57.6 -8.4 -6.5 -0.4 66 66 A K H 3<5S+ 0 0 176 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.807 108.6 55.1 -55.5 -35.6 -10.9 -4.1 -2.1 67 67 A L H 3<5S- 0 0 56 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.624 121.7-110.2 -71.1 -18.3 -8.1 -3.0 -4.6 68 68 A G T <<5S+ 0 0 56 -3,-1.9 2,-0.3 -4,-0.6 -3,-0.2 0.871 80.8 103.4 87.1 44.2 -7.7 -6.8 -5.4 69 69 A Y < - 0 0 13 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.3 -0.872 53.7-146.8-137.9 173.0 -4.3 -7.4 -3.8 70 70 A H E -B 13 0A 97 -57,-1.5 -57,-2.3 -2,-0.3 2,-0.2 -0.962 11.6-152.8-146.4 133.9 -2.7 -8.9 -0.7 71 71 A V E -B 12 0A 8 -2,-0.3 2,-0.3 -59,-0.2 -59,-0.3 -0.640 8.4-143.5 -98.8 161.1 0.4 -7.8 1.1 72 72 A V E -B 11 0A 46 -61,-2.3 -61,-2.6 -2,-0.2 2,-0.5 -0.956 2.8-150.4-129.5 141.9 2.8 -9.9 3.2 73 73 A I + 0 0 83 -2,-0.3 3,-0.3 -63,-0.2 -63,-0.1 -0.767 29.9 156.2-118.6 80.5 4.6 -9.0 6.4 74 74 A E S S+ 0 0 154 -2,-0.5 -1,-0.1 1,-0.2 -64,-0.1 0.392 70.4 66.5 -79.6 -1.3 7.9 -11.0 6.5 75 75 A G 0 0 80 -66,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.745 360.0 360.0 -94.6 -34.7 9.4 -8.4 8.9 76 76 A R 0 0 280 -3,-0.3 -3,-0.1 0, 0.0 0, 0.0 -0.730 360.0 360.0 -87.5 360.0 7.2 -8.8 12.0