==== 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 1OQ3 . 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) . 5319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 65.8 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 23.7 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 . 2 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 23.7 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 0 1 1 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 1 0 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 . 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 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 0 218 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -86.9 6.2 7.6 -22.4 2 2 A L + 0 0 171 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.976 360.0 39.7 -71.4 -76.7 8.2 4.3 -22.2 3 3 A S S S- 0 0 69 48,-0.0 2,-0.4 1,-0.0 48,-0.0 -0.290 73.0-150.2 -66.3 159.9 6.7 2.8 -19.0 4 4 A E - 0 0 167 2,-0.0 2,-0.1 -3,-0.0 -1,-0.0 -0.975 17.5-163.3-133.7 113.9 3.0 3.2 -18.2 5 5 A Q - 0 0 98 -2,-0.4 2,-0.3 46,-0.2 46,-0.2 -0.372 4.6-163.5 -91.7 172.1 2.2 3.3 -14.5 6 6 A K E -A 50 0A 136 44,-2.8 44,-2.9 -2,-0.1 2,-0.3 -0.990 19.4-116.0-152.4 162.3 -1.1 2.8 -12.6 7 7 A E E -A 49 0A 112 -2,-0.3 2,-0.3 42,-0.3 42,-0.3 -0.640 25.1-167.1 -84.4 150.2 -3.0 3.2 -9.4 8 8 A I E -A 48 0A 60 40,-2.3 40,-2.3 -2,-0.3 2,-0.3 -0.949 1.2-165.0-129.5 156.5 -4.2 0.3 -7.3 9 9 A A E +A 47 0A 60 -2,-0.3 65,-0.3 38,-0.2 2,-0.3 -0.989 21.7 145.6-140.9 130.8 -6.7 0.5 -4.4 10 10 A M E -A 46 0A 1 36,-2.7 36,-2.9 -2,-0.3 2,-0.2 -0.964 42.9 -91.1-157.8 171.6 -7.3 -2.3 -1.9 11 11 A Q E -A 45 0A 61 -2,-0.3 61,-2.8 34,-0.2 2,-0.3 -0.562 31.1-149.7 -92.2 153.7 -8.2 -3.2 1.8 12 12 A V E -C 71 0B 13 32,-1.1 2,-0.4 59,-0.2 59,-0.2 -0.830 5.0-140.7-118.5 158.1 -5.7 -3.7 4.6 13 13 A S E S+C 70 0B 62 57,-2.6 57,-1.4 -2,-0.3 31,-0.0 -0.992 79.7 29.3-121.6 125.4 -5.9 -5.9 7.8 14 14 A G S S+ 0 0 48 -2,-0.4 -1,-0.1 1,-0.3 57,-0.1 0.187 74.2 142.5 117.7 -11.8 -4.6 -4.7 11.2 15 15 A M - 0 0 32 1,-0.1 -1,-0.3 29,-0.1 3,-0.1 -0.219 30.8-169.6 -57.4 151.2 -5.0 -0.9 10.9 16 16 A T - 0 0 100 1,-0.5 -1,-0.1 0, 0.0 2,-0.0 -0.123 36.6-122.7-134.2 32.9 -6.1 1.0 14.1 17 17 A C S > S+ 0 0 84 1,-0.1 3,-3.0 2,-0.1 -1,-0.5 -0.344 79.6 100.6 60.5-142.1 -6.9 4.4 12.6 18 18 A A T 3 S- 0 0 88 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.710 119.4 -55.7 34.0 53.6 -4.8 7.3 14.2 19 19 A A T 3> S+ 0 0 65 1,-0.1 4,-0.6 3,-0.0 -1,-0.3 0.652 110.0 119.5 60.1 19.9 -2.2 7.6 11.4 20 20 A C H X> S+ 0 0 35 -3,-3.0 3,-1.9 2,-0.2 4,-1.0 0.981 73.9 43.8 -73.3 -61.5 -1.3 3.9 11.8 21 21 A A H 3> S+ 0 0 2 -4,-0.4 4,-2.0 1,-0.3 3,-0.3 0.846 103.0 68.9 -57.2 -34.7 -2.2 2.7 8.2 22 22 A A H 3> S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.868 96.9 53.1 -47.3 -41.5 -0.4 5.8 6.9 23 23 A R H < S+ 0 0 20 -4,-2.2 3,-1.7 -3,-0.4 -1,-0.2 0.953 107.5 47.6 -54.3 -49.2 6.7 2.3 3.7 28 28 A L H >< S+ 0 0 1 -4,-1.3 3,-2.6 1,-0.3 -2,-0.2 0.844 98.4 67.6 -65.1 -30.9 5.5 1.5 0.2 29 29 A K H 3< S+ 0 0 82 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.691 98.7 55.5 -58.8 -17.6 6.2 5.1 -0.8 30 30 A R T << S+ 0 0 221 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.358 83.9 109.4 -93.8 4.3 9.8 4.1 -0.2 31 31 A M S X S- 0 0 47 -3,-2.6 3,-2.2 1,-0.1 2,-0.9 -0.662 82.2-108.8 -82.0 136.4 9.6 1.1 -2.7 32 32 A P T 3 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.475 108.8 30.6 -68.2 98.2 11.5 1.6 -6.0 33 33 A G T 3 S+ 0 0 18 -2,-0.9 18,-2.2 1,-0.5 22,-0.2 0.151 89.0 119.8 135.7 -15.0 8.7 2.1 -8.6 34 34 A V E < -B 50 0A 28 -3,-2.2 -1,-0.5 16,-0.3 16,-0.3 -0.435 35.1-178.1 -69.4 152.7 6.1 3.8 -6.4 35 35 A T E - 0 0 74 14,-3.0 2,-0.3 1,-0.5 15,-0.2 0.675 66.0 -9.0-110.5 -57.5 4.8 7.3 -7.3 36 36 A D E -B 49 0A 42 13,-0.8 13,-3.0 2,-0.0 -1,-0.5 -0.958 49.8-152.7-144.5 158.1 2.3 8.1 -4.5 37 37 A A E +B 48 0A 17 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.995 16.2 179.0-133.7 127.6 0.6 6.4 -1.5 38 38 A N E -B 47 0A 88 9,-3.1 9,-2.9 -2,-0.4 2,-0.3 -0.971 15.2-148.4-140.1 113.3 -2.8 7.7 -0.3 39 39 A V E -B 46 0A 55 -2,-0.4 7,-0.3 7,-0.2 2,-0.1 -0.647 11.3-172.9 -89.7 140.3 -4.7 6.1 2.6 40 40 A N E > > +B 45 0A 74 5,-2.8 3,-2.4 -2,-0.3 5,-2.1 -0.580 16.8 161.2-131.7 67.2 -8.6 6.0 2.9 41 41 A L G > 5 + 0 0 42 1,-0.3 3,-1.6 3,-0.3 -1,-0.1 0.725 68.7 79.6 -65.7 -16.7 -9.5 4.6 6.3 42 42 A A G 3 5S+ 0 0 96 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.735 112.6 24.6 -54.0 -23.9 -12.9 6.1 5.8 43 43 A T G < 5S- 0 0 85 -3,-2.4 -1,-0.3 2,-0.3 -2,-0.2 0.038 113.2-115.3-126.6 18.3 -13.3 3.0 3.7 44 44 A E T < 5S+ 0 0 134 -3,-1.6 -32,-1.1 1,-0.2 2,-0.3 0.834 83.4 115.7 45.3 39.0 -10.7 0.8 5.5 45 45 A T E < -AB 11 40A 23 -5,-2.1 -5,-2.8 -34,-0.2 2,-0.3 -0.886 51.6-157.6-136.2 154.6 -8.9 1.0 2.1 46 46 A V E -AB 10 39A 1 -36,-2.9 -36,-2.7 -2,-0.3 2,-0.3 -0.972 4.8-154.0-133.6 150.0 -5.6 2.4 0.7 47 47 A N E -AB 9 38A 52 -9,-2.9 -9,-3.1 -2,-0.3 2,-0.3 -0.933 12.3-179.1-120.4 150.1 -4.6 3.4 -2.8 48 48 A V E -AB 8 37A 0 -40,-2.3 -40,-2.3 -2,-0.3 2,-0.4 -0.985 17.8-141.9-150.9 139.6 -1.0 3.5 -4.1 49 49 A I E +AB 7 36A 48 -13,-3.0 -14,-3.0 -2,-0.3 -13,-0.8 -0.906 33.4 154.1-108.1 131.6 0.4 4.4 -7.6 50 50 A Y E -AB 6 34A 13 -44,-2.9 -44,-2.8 -2,-0.4 -16,-0.3 -0.967 45.4-106.2-154.2 167.8 3.3 2.5 -9.0 51 51 A D >> - 0 0 26 -18,-2.2 4,-3.0 -2,-0.3 3,-1.2 -0.891 21.4-148.8-102.8 110.8 5.1 1.4 -12.2 52 52 A P T 34 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.087 91.1 74.2 -74.7 30.1 4.5 -2.3 -13.1 53 53 A A T 34 S+ 0 0 77 -2,-0.8 3,-0.1 2,-0.1 -20,-0.0 0.775 122.7 4.6 -95.1 -50.2 8.0 -2.5 -14.7 54 54 A E T <4 S+ 0 0 139 -3,-1.2 2,-0.3 1,-0.2 -21,-0.1 0.831 131.7 35.2 -87.2 -46.7 9.7 -2.4 -11.3 55 55 A T < + 0 0 8 -4,-3.0 2,-0.3 -22,-0.2 -1,-0.2 -0.927 51.8 106.4-140.9 136.4 6.7 -2.6 -8.9 56 56 A G S >> S- 0 0 13 -2,-0.3 4,-2.4 -4,-0.1 3,-1.5 -0.938 77.6 -35.0-172.8-161.3 3.3 -3.7 -7.9 57 57 A T H 3> S+ 0 0 46 1,-0.3 4,-2.8 -2,-0.3 5,-0.4 0.759 123.9 65.0 -38.2 -43.5 1.3 -6.0 -5.6 58 58 A A H 3> S+ 0 0 91 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.914 114.8 28.2 -46.3 -57.4 4.0 -8.7 -5.9 59 59 A A H <> S+ 0 0 37 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.847 119.1 60.7 -73.6 -37.6 6.6 -6.5 -4.1 60 60 A I H X S+ 0 0 2 -4,-2.4 4,-3.2 2,-0.2 3,-0.5 0.968 102.5 46.6 -61.6 -59.5 4.0 -4.6 -2.1 61 61 A Q H X S+ 0 0 58 -4,-2.8 4,-3.1 1,-0.3 5,-0.2 0.903 110.0 57.3 -47.9 -50.4 2.5 -7.6 -0.2 62 62 A E H X S+ 0 0 109 -4,-1.0 4,-1.1 -5,-0.4 -1,-0.3 0.902 114.4 36.4 -45.3 -52.6 6.1 -8.7 0.6 63 63 A K H X S+ 0 0 63 -4,-2.1 4,-2.4 -3,-0.5 3,-0.4 0.932 111.7 59.5 -70.4 -43.8 6.9 -5.4 2.3 64 64 A I H X>S+ 0 0 1 -4,-3.2 5,-2.0 1,-0.3 4,-1.1 0.911 101.8 55.4 -52.5 -45.3 3.4 -5.0 3.8 65 65 A E H ><5S+ 0 0 130 -4,-3.1 3,-0.8 1,-0.2 -1,-0.3 0.921 110.5 45.8 -49.3 -47.4 3.9 -8.3 5.7 66 66 A K H 3<5S+ 0 0 163 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.823 100.9 63.3 -72.0 -33.2 7.1 -6.7 7.1 67 67 A L H 3<5S- 0 0 60 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.761 125.4-110.0 -54.5 -24.6 5.3 -3.5 7.9 68 68 A G T <<5S+ 0 0 56 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.718 85.6 92.8 100.7 29.3 3.5 -5.9 10.2 69 69 A Y < - 0 0 57 -5,-2.0 2,-0.4 -45,-0.0 -1,-0.4 -0.937 66.6-128.8-140.7 162.1 0.1 -6.0 8.4 70 70 A H E -C 13 0B 83 -57,-1.4 -57,-2.6 -2,-0.3 2,-0.3 -0.970 20.5-158.7-113.8 133.7 -1.5 -8.1 5.6 71 71 A V E -C 12 0B 7 -2,-0.4 -59,-0.2 -59,-0.2 2,-0.2 -0.806 7.3-143.8-100.7 148.5 -3.1 -6.3 2.6 72 72 A V - 0 0 54 -61,-2.8 2,-0.5 -2,-0.3 -59,-0.0 -0.655 8.8-135.4 -96.6 166.4 -5.8 -7.9 0.4 73 73 A I - 0 0 59 -2,-0.2 2,-0.8 -63,-0.1 -63,-0.1 -0.980 27.8-125.6-118.7 108.2 -6.2 -7.6 -3.4 74 74 A E S S- 0 0 140 -2,-0.5 -65,-0.1 -65,-0.3 -2,-0.0 -0.427 70.5 -39.2 -53.0 99.4 -9.9 -7.0 -4.1 75 75 A G 0 0 51 -2,-0.8 -2,-0.0 1,-0.1 0, 0.0 -0.065 360.0 360.0 69.7-172.7 -10.6 -9.7 -6.7 76 76 A R 0 0 310 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.386 360.0 360.0 73.2 360.0 -8.4 -11.0 -9.5