==== 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 06-MAR-03 1OPZ . COMPND 2 MOLECULE: POTENTIAL COPPER-TRANSPORTING ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,L.GONNELI,X.C.SU . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5231.0 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 . 4 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 11.8 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 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 0 236 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.6 8.2 -0.4 -25.4 2 2 A L - 0 0 133 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.842 360.0-154.8-137.7 163.5 6.5 1.6 -22.6 3 3 A S + 0 0 87 -2,-0.3 2,-0.5 2,-0.0 48,-0.0 -0.872 23.1 176.5-144.4 104.8 6.1 1.8 -18.8 4 4 A E - 0 0 146 -2,-0.3 2,-0.1 46,-0.0 46,-0.1 -0.978 23.6-132.8-116.1 125.1 2.8 3.4 -17.8 5 5 A Q - 0 0 100 -2,-0.5 2,-0.3 46,-0.2 46,-0.2 -0.346 20.5-159.3 -83.3 160.8 2.1 3.6 -14.1 6 6 A K E -A 50 0A 133 44,-2.8 44,-2.7 -2,-0.1 2,-0.4 -0.970 17.6-122.6-142.0 152.2 -1.2 2.7 -12.4 7 7 A E E -A 49 0A 118 -2,-0.3 2,-0.4 42,-0.3 42,-0.2 -0.752 23.0-165.9 -84.0 133.6 -3.2 3.2 -9.3 8 8 A I E -A 48 0A 50 40,-2.7 40,-2.5 -2,-0.4 2,-0.4 -0.948 0.8-166.6-113.1 148.4 -4.1 0.2 -7.2 9 9 A A E +A 47 0A 63 -2,-0.4 2,-0.3 38,-0.2 38,-0.2 -0.996 22.7 149.4-135.1 125.0 -6.8 0.5 -4.5 10 10 A M E -A 46 0A 3 36,-2.6 36,-2.9 -2,-0.4 2,-0.2 -0.935 41.7 -97.7-156.2 167.7 -7.2 -2.3 -2.0 11 11 A Q E -AB 45 72A 58 61,-1.3 61,-2.9 63,-0.3 2,-0.3 -0.633 28.7-151.3-100.6 151.1 -8.2 -3.1 1.6 12 12 A V E - B 0 71A 9 32,-1.2 2,-0.4 59,-0.2 59,-0.2 -0.852 4.2-143.4-118.8 156.5 -5.8 -3.6 4.6 13 13 A S E S+ B 0 70A 51 57,-1.9 57,-0.8 -2,-0.3 31,-0.0 -0.942 77.2 25.5-115.3 140.9 -6.2 -5.6 7.8 14 14 A G S S+ 0 0 48 -2,-0.4 -1,-0.1 1,-0.3 2,-0.1 0.160 72.1 144.6 98.7 -16.7 -4.9 -4.6 11.3 15 15 A M - 0 0 36 1,-0.1 -1,-0.3 29,-0.1 3,-0.1 -0.349 30.3-168.6 -50.9 125.9 -4.9 -0.8 10.9 16 16 A T - 0 0 110 1,-0.4 -1,-0.1 2,-0.1 0, 0.0 -0.378 39.5-117.7-113.0 50.0 -5.9 0.8 14.2 17 17 A C S > S+ 0 0 86 1,-0.1 3,-3.0 2,-0.1 -1,-0.4 -0.228 82.4 106.7 51.3-136.3 -6.4 4.3 12.7 18 18 A A T 3 S- 0 0 86 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.788 118.3 -55.6 32.9 57.3 -3.9 6.9 14.2 19 19 A A T 3> S+ 0 0 62 1,-0.1 4,-2.4 3,-0.1 -1,-0.3 0.630 106.3 127.6 58.0 20.8 -1.7 7.1 11.0 20 20 A C H <> S+ 0 0 21 -3,-3.0 4,-2.5 2,-0.2 3,-0.2 0.995 77.2 37.7 -70.4 -60.7 -1.2 3.3 11.1 21 21 A A H > S+ 0 0 1 -4,-0.3 4,-2.9 1,-0.2 5,-0.3 0.859 114.1 59.0 -58.8 -34.3 -2.2 2.6 7.5 22 22 A A H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.948 106.8 46.4 -58.0 -48.7 -0.5 5.8 6.6 23 23 A R H X S+ 0 0 198 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 111.6 53.4 -55.6 -50.1 2.8 4.3 8.1 24 24 A I H X S+ 0 0 1 -4,-2.5 4,-1.3 1,-0.2 3,-0.4 0.958 115.9 36.8 -47.7 -61.0 2.1 1.1 6.2 25 25 A E H X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.852 110.0 60.5 -71.5 -34.5 1.7 2.8 2.8 26 26 A K H X S+ 0 0 123 -4,-2.8 4,-0.5 -5,-0.3 -1,-0.3 0.879 101.0 58.1 -57.8 -35.1 4.4 5.4 3.5 27 27 A G H >< S+ 0 0 23 -4,-2.2 3,-1.7 -3,-0.4 4,-0.2 0.955 106.1 47.5 -52.0 -51.1 6.6 2.3 3.8 28 28 A L H >< S+ 0 0 0 -4,-1.3 3,-2.4 1,-0.3 -2,-0.2 0.842 97.3 69.5 -64.8 -30.6 5.6 1.4 0.3 29 29 A K H 3< S+ 0 0 64 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.700 95.0 59.3 -58.1 -17.9 6.3 5.0 -0.8 30 30 A R T << S+ 0 0 221 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.624 83.0 106.3 -78.4 -15.4 10.0 3.9 -0.2 31 31 A M S X S- 0 0 44 -3,-2.4 3,-2.4 -4,-0.2 2,-0.7 -0.487 83.2-107.4 -77.2 134.8 9.7 1.1 -2.8 32 32 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.419 108.6 27.3 -64.5 102.5 11.6 1.7 -6.2 33 33 A G T 3 S+ 0 0 18 -2,-0.7 18,-2.3 1,-0.6 22,-0.2 0.116 90.9 116.1 127.9 -9.6 8.8 2.3 -8.7 34 34 A V E < +C 50 0A 24 -3,-2.4 -1,-0.6 16,-0.3 16,-0.3 -0.428 35.6 179.3 -65.5 155.9 6.1 3.7 -6.4 35 35 A T E - 0 0 70 14,-2.8 2,-0.3 1,-0.4 15,-0.2 0.574 61.0 -3.4-119.0 -58.7 5.1 7.4 -7.0 36 36 A D E -C 49 0A 59 13,-0.9 13,-3.1 2,-0.0 -1,-0.4 -0.963 49.4-153.0-145.3 157.9 2.4 8.1 -4.4 37 37 A A E -C 48 0A 16 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.997 11.3-177.0-133.5 129.9 0.4 6.6 -1.5 38 38 A N E -C 47 0A 98 9,-3.3 9,-3.0 -2,-0.4 2,-0.3 -0.967 15.3-146.9-138.3 111.2 -3.1 7.8 -0.4 39 39 A V E -C 46 0A 65 -2,-0.4 7,-0.2 7,-0.2 2,-0.1 -0.601 11.6-173.1 -84.5 140.3 -4.9 6.2 2.6 40 40 A N E > > +C 45 0A 71 5,-2.9 5,-2.5 -2,-0.3 3,-2.1 -0.577 19.7 157.1-131.4 67.3 -8.7 5.9 2.7 41 41 A L G > 5 + 0 0 50 1,-0.3 3,-1.6 3,-0.3 -1,-0.1 0.753 69.5 76.1 -69.4 -18.2 -9.6 4.7 6.2 42 42 A A G 3 5S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.670 114.1 25.8 -59.4 -16.4 -13.1 6.2 5.6 43 43 A T G < 5S- 0 0 83 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.047 113.0-116.0-129.9 20.3 -13.4 3.1 3.5 44 44 A E T < 5S+ 0 0 127 -3,-1.6 -32,-1.2 1,-0.2 2,-0.3 0.832 82.5 115.8 47.1 37.9 -10.8 0.9 5.3 45 45 A T E < -AC 11 40A 25 -5,-2.5 -5,-2.9 -34,-0.2 2,-0.3 -0.859 54.0-152.4-135.8 157.4 -8.8 1.1 2.1 46 46 A V E -AC 10 39A 0 -36,-2.9 -36,-2.6 -2,-0.3 2,-0.4 -0.987 5.9-154.3-135.5 145.6 -5.6 2.4 0.7 47 47 A N E +AC 9 38A 38 -9,-3.0 -9,-3.3 -2,-0.3 2,-0.3 -0.965 14.1 179.9-116.2 136.2 -4.6 3.6 -2.8 48 48 A V E -AC 8 37A 0 -40,-2.5 -40,-2.7 -2,-0.4 2,-0.5 -0.998 17.4-146.2-141.1 137.7 -1.1 3.5 -4.1 49 49 A I E +AC 7 36A 49 -13,-3.1 -14,-2.8 -2,-0.3 -13,-0.9 -0.902 33.4 150.7-103.6 128.7 0.3 4.5 -7.6 50 50 A Y E -AC 6 34A 14 -44,-2.7 -44,-2.8 -2,-0.5 -16,-0.3 -0.950 46.9-103.2-151.4 168.5 3.3 2.6 -8.9 51 51 A D >> - 0 0 29 -18,-2.3 4,-2.8 -2,-0.3 3,-1.0 -0.896 21.7-145.2-101.0 118.4 5.0 1.5 -12.1 52 52 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.336 93.4 70.0 -67.6 7.9 4.4 -2.2 -13.0 53 53 A A T 34 S+ 0 0 76 -20,-0.1 3,-0.1 2,-0.1 -20,-0.0 0.896 124.0 4.3 -83.6 -49.0 8.0 -2.5 -14.5 54 54 A E T <4 S+ 0 0 145 -3,-1.0 2,-0.4 1,-0.2 -21,-0.1 0.791 132.5 44.9 -99.8 -46.2 9.7 -2.2 -11.1 55 55 A T < + 0 0 5 -4,-2.8 2,-0.3 -22,-0.2 -1,-0.2 -0.915 58.7 134.1-113.7 130.1 6.8 -2.2 -8.6 56 56 A G >> - 0 0 18 -2,-0.4 4,-2.4 -3,-0.1 3,-1.4 -0.964 67.8 -74.1-156.4-177.9 3.6 -4.1 -8.1 57 57 A T H 3> S+ 0 0 47 -2,-0.3 4,-3.2 1,-0.3 5,-0.3 0.793 121.9 67.0 -39.6 -41.5 1.4 -5.9 -5.7 58 58 A A H 3> S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.914 111.1 30.5 -45.2 -58.5 4.0 -8.7 -5.7 59 59 A A H <> S+ 0 0 32 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.857 117.5 61.1 -72.2 -37.9 6.7 -6.5 -4.0 60 60 A I H X S+ 0 0 1 -4,-2.4 4,-3.3 2,-0.2 3,-0.2 0.956 102.5 47.2 -57.8 -57.7 4.0 -4.6 -2.1 61 61 A Q H X S+ 0 0 57 -4,-3.2 4,-3.1 1,-0.2 5,-0.3 0.930 109.9 57.2 -47.3 -53.7 2.6 -7.6 -0.2 62 62 A E H X S+ 0 0 98 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.898 114.4 35.8 -42.8 -54.5 6.2 -8.6 0.7 63 63 A K H X S+ 0 0 60 -4,-2.3 4,-2.6 -3,-0.2 5,-0.3 0.940 112.7 58.4 -70.3 -44.8 6.8 -5.2 2.3 64 64 A I H X>S+ 0 0 0 -4,-3.3 5,-1.7 1,-0.2 4,-0.8 0.907 105.1 52.5 -50.0 -46.9 3.3 -4.8 3.7 65 65 A E H ><5S+ 0 0 115 -4,-3.1 3,-1.2 1,-0.2 -1,-0.2 0.931 110.9 46.9 -52.9 -47.1 3.9 -8.1 5.6 66 66 A K H 3<5S+ 0 0 158 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.838 100.5 63.9 -69.8 -34.5 7.1 -6.7 7.0 67 67 A L H 3<5S- 0 0 62 -4,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.704 125.2-109.2 -56.6 -20.0 5.3 -3.4 7.9 68 68 A G T <<5S+ 0 0 58 -3,-1.2 2,-0.3 -4,-0.8 -3,-0.2 0.738 86.8 85.3 98.3 29.3 3.5 -5.9 10.2 69 69 A Y < - 0 0 58 -5,-1.7 -1,-0.4 -45,-0.0 2,-0.4 -0.881 68.7-124.2-141.7 172.6 0.1 -6.0 8.5 70 70 A H E -B 13 0A 90 -57,-0.8 -57,-1.9 -2,-0.3 2,-0.3 -0.998 16.9-150.2-127.8 131.2 -1.5 -7.9 5.7 71 71 A V E -B 12 0A 13 -2,-0.4 2,-0.5 -59,-0.2 -59,-0.2 -0.665 11.6-138.1 -88.1 150.8 -3.2 -6.3 2.7 72 72 A V E -B 11 0A 54 -61,-2.9 2,-1.9 -2,-0.3 -61,-1.3 -0.944 5.2-158.3-115.4 113.2 -6.1 -8.0 0.8 73 73 A I + 0 0 79 -2,-0.5 2,-0.3 -63,-0.2 -63,-0.1 -0.555 48.7 134.6 -82.9 68.8 -6.1 -7.9 -3.0 74 74 A E + 0 0 142 -2,-1.9 2,-0.5 -63,-0.1 -63,-0.3 -0.838 45.4 50.0-107.1 159.0 -9.8 -8.5 -3.1 75 75 A G 0 0 73 -2,-0.3 -65,-0.1 -65,-0.1 -2,-0.1 -0.785 360.0 360.0 116.5 -81.0 -12.1 -6.5 -5.4 76 76 A R 0 0 254 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.856 360.0 360.0-172.2 360.0 -10.3 -6.7 -8.8