==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAY-11 2LDI . COMPND 2 MOLECULE: ZINC-TRANSPORTING ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR L.BANCI,I.BERTINI,I.C.FELLI,A.PAVELKOVA . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 64.8 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 . 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 . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.8 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 1 0 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 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 6 A P 0 0 135 0, 0.0 49,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.5 -7.8 -5.3 -16.0 2 7 A L - 0 0 95 46,-0.2 2,-0.3 47,-0.1 46,-0.3 -0.951 360.0-176.3-159.8 133.6 -5.5 -5.1 -13.0 3 8 A K E -A 47 0A 135 44,-2.3 44,-1.9 -2,-0.3 42,-0.0 -0.909 27.2 -97.3-138.7 153.6 -1.8 -4.2 -12.6 4 9 A T E +A 46 0A 89 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.257 33.9 177.2 -67.5 157.0 1.1 -4.0 -10.1 5 10 A Q E -A 45 0A 57 40,-1.2 40,-2.9 2,-0.0 2,-0.3 -0.940 8.9-160.2-159.1 144.7 2.3 -0.8 -8.4 6 11 A Q E +A 44 0A 135 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.964 11.4 177.4-138.1 153.0 5.0 -0.1 -5.8 7 12 A M E -A 43 0A 7 36,-2.4 36,-2.0 -2,-0.3 2,-0.2 -0.982 30.7-114.7-151.2 152.1 5.7 2.7 -3.3 8 13 A Q E -AB 42 69A 129 61,-2.3 61,-2.4 -2,-0.3 2,-0.3 -0.635 32.0-159.6 -82.8 154.6 7.8 4.1 -0.6 9 14 A V E > - B 0 68A 14 32,-1.1 2,-0.8 -2,-0.2 3,-0.7 -0.987 17.9-123.2-144.1 126.5 6.1 4.6 2.8 10 15 A G E 3 S- B 0 67A 39 57,-2.5 57,-0.6 -2,-0.3 31,-0.1 -0.626 90.4 -5.0 -77.8 107.0 7.2 6.8 5.7 11 16 A G T 3 S+ 0 0 42 -2,-0.8 -1,-0.2 55,-0.1 6,-0.1 0.384 91.8 112.3 97.0 2.8 7.6 4.8 9.0 12 17 A M X + 0 0 0 -3,-0.7 3,-0.6 29,-0.3 6,-0.5 0.739 58.4 101.2 -72.4 -23.8 6.5 1.2 8.0 13 18 A R T 3 S+ 0 0 163 -4,-0.3 26,-0.2 28,-0.2 4,-0.1 -0.062 72.1 18.9 -60.3 159.3 10.1 -0.2 8.4 14 19 A C T 3 S+ 0 0 107 24,-2.0 2,-0.3 1,-0.1 -1,-0.2 0.448 110.0 62.5 72.5 7.1 11.8 -2.2 11.1 15 20 A A S X S- 0 0 45 -3,-0.6 3,-0.9 23,-0.1 -1,-0.1 -0.960 94.2 -96.0-154.4 165.6 8.6 -3.5 13.0 16 21 A A G > S+ 0 0 79 -2,-0.3 3,-2.6 1,-0.2 4,-0.3 0.486 89.6 108.9 -67.5 -1.4 5.5 -5.6 12.5 17 22 A C G > + 0 0 43 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.749 60.5 74.6 -50.8 -31.5 3.5 -2.4 11.7 18 23 A A G X> S+ 0 0 2 -3,-0.9 4,-2.4 -6,-0.5 3,-1.3 0.804 84.5 67.8 -49.4 -30.9 3.3 -3.5 8.0 19 24 A S H <> S+ 0 0 69 -3,-2.6 4,-1.6 1,-0.3 -1,-0.3 0.758 90.5 60.0 -67.6 -22.5 0.7 -6.1 9.2 20 25 A S H <4 S+ 0 0 62 -3,-2.0 -1,-0.3 -4,-0.3 4,-0.2 0.669 114.2 38.3 -75.5 -15.5 -1.8 -3.1 10.0 21 26 A I H <> S+ 0 0 0 -3,-1.3 4,-0.5 -4,-0.5 -2,-0.2 0.812 120.6 42.1 -94.7 -45.4 -1.5 -2.3 6.2 22 27 A E H < S+ 0 0 72 -4,-2.4 4,-0.5 2,-0.2 3,-0.2 0.741 103.6 64.0 -85.2 -24.8 -1.4 -5.8 4.7 23 28 A R T >< S+ 0 0 116 -4,-1.6 3,-0.7 -5,-0.2 -1,-0.2 0.925 101.0 54.0 -63.0 -41.4 -4.2 -7.5 6.9 24 29 A A G >> S+ 0 0 20 -5,-0.2 3,-2.5 1,-0.2 4,-1.1 0.778 87.2 84.9 -63.2 -29.9 -6.8 -5.1 5.4 25 30 A L G >< S+ 0 0 28 -4,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.835 85.8 52.9 -35.5 -53.8 -5.8 -6.1 1.7 26 31 A E G <4 S+ 0 0 133 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.1 0.465 108.3 51.3 -76.2 -1.3 -8.1 -9.2 1.7 27 32 A R G <4 S+ 0 0 175 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.674 90.6 99.2-100.6 -28.4 -11.1 -7.0 2.8 28 33 A L << - 0 0 53 -4,-1.1 3,-0.4 -3,-0.7 2,-0.3 -0.197 69.2-128.9 -57.6 148.9 -10.7 -4.3 0.0 29 34 A K S S+ 0 0 172 1,-0.2 3,-0.1 22,-0.1 -1,-0.1 -0.768 88.1 32.1 -91.3 145.2 -12.7 -4.2 -3.3 30 35 A G S S+ 0 0 11 -2,-0.3 18,-2.5 1,-0.3 2,-0.2 0.542 95.9 102.6 88.3 11.5 -10.7 -3.8 -6.6 31 36 A V E +C 47 0A 33 -3,-0.4 -1,-0.3 16,-0.2 16,-0.2 -0.659 35.7 173.8-114.2 172.3 -7.5 -5.8 -5.6 32 37 A A E + 0 0 66 14,-1.9 2,-0.3 1,-0.5 15,-0.1 0.456 67.7 9.1-147.1 -16.4 -5.9 -9.3 -6.2 33 38 A E E +C 46 0A 135 13,-1.0 13,-3.1 -8,-0.0 -1,-0.5 -0.968 54.0 166.7-165.9 149.6 -2.4 -9.4 -4.7 34 39 A A E -C 45 0A 29 -2,-0.3 11,-0.3 11,-0.3 2,-0.2 -0.969 11.4-162.7-164.5 166.0 0.1 -7.4 -2.5 35 40 A S E -C 44 0A 72 9,-2.6 9,-1.2 -2,-0.3 2,-0.1 -0.794 8.4-150.4-162.0 112.6 3.4 -7.8 -0.6 36 41 A V E -C 43 0A 33 -2,-0.2 2,-0.4 7,-0.2 7,-0.2 -0.460 2.0-157.8 -72.9 152.2 5.1 -5.8 2.2 37 42 A T E >> +C 42 0A 53 5,-2.3 5,-1.8 -2,-0.1 4,-1.3 -0.959 12.8 176.0-128.3 113.5 8.9 -5.5 2.8 38 43 A V T 45S+ 0 0 48 -2,-0.4 -24,-2.0 3,-0.2 -23,-0.1 0.765 74.7 69.0 -83.1 -30.8 9.7 -4.5 6.4 39 44 A A T 45S+ 0 0 91 1,-0.2 -1,-0.1 -26,-0.2 -26,-0.0 0.911 121.4 14.8 -55.4 -49.8 13.5 -4.7 5.9 40 45 A T T 45S- 0 0 68 2,-0.1 -27,-0.2 -27,-0.1 -1,-0.2 0.711 107.1-117.9 -96.1 -30.2 13.6 -1.6 3.6 41 46 A G T <5 + 0 0 5 -4,-1.3 -32,-1.1 1,-0.2 -29,-0.3 0.897 67.6 122.6 87.3 51.3 10.1 -0.2 4.5 42 47 A R E < -AC 8 37A 116 -5,-1.8 -5,-2.3 -34,-0.2 2,-0.3 -0.818 42.9-144.8-135.3 172.0 8.3 -0.4 1.1 43 48 A L E -AC 7 36A 4 -36,-2.0 -36,-2.4 -2,-0.2 2,-0.3 -0.992 6.6-159.9-143.4 149.3 5.1 -2.0 -0.5 44 49 A T E +AC 6 35A 47 -9,-1.2 -9,-2.6 -2,-0.3 2,-0.3 -0.975 18.2 179.0-124.2 142.0 3.8 -3.6 -3.8 45 50 A V E -AC 5 34A 2 -40,-2.9 -40,-1.2 -2,-0.3 2,-0.5 -0.995 20.9-146.6-144.8 141.0 0.1 -3.9 -4.6 46 51 A T E +AC 4 33A 22 -13,-3.1 -14,-1.9 -2,-0.3 -13,-1.0 -0.964 35.4 154.8-112.1 119.0 -2.0 -5.3 -7.6 47 52 A Y E -AC 3 31A 17 -44,-1.9 -44,-2.3 -2,-0.5 -16,-0.2 -0.920 49.8 -99.7-144.5 162.0 -5.3 -3.4 -8.3 48 53 A D > - 0 0 24 -18,-2.5 4,-2.7 -46,-0.3 -46,-0.2 -0.776 28.2-152.9 -87.0 107.4 -7.9 -2.5 -11.0 49 54 A P T 4 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -47,-0.1 0.394 93.2 43.7 -71.2 4.9 -7.0 1.1 -12.2 50 55 A K T 4 S+ 0 0 195 -49,-0.3 -48,-0.1 -20,-0.1 3,-0.1 0.700 115.6 42.7-116.7 -39.7 -10.7 1.6 -13.2 51 56 A Q T 4 S- 0 0 118 -21,-0.1 2,-0.2 1,-0.1 -22,-0.1 0.854 135.0 -6.8 -67.0 -35.4 -12.6 0.2 -10.2 52 57 A V < - 0 0 31 -4,-2.7 2,-0.2 -22,-0.2 -22,-0.1 -0.776 61.6-159.6-147.2-175.9 -10.0 1.9 -7.9 53 58 A S > - 0 0 51 -2,-0.2 3,-2.5 -3,-0.1 4,-0.2 -0.792 61.9 -50.7-148.1-165.9 -6.7 3.9 -7.8 54 59 A E T >> S+ 0 0 77 1,-0.3 4,-2.8 -2,-0.2 3,-1.8 0.743 122.7 80.4 -48.7 -20.7 -3.8 4.8 -5.4 55 60 A I H 3> S+ 0 0 75 1,-0.3 4,-0.9 2,-0.2 5,-0.3 0.774 80.3 63.9 -60.0 -24.4 -6.8 5.8 -3.1 56 61 A T H <4 S+ 0 0 26 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.477 118.6 25.7 -80.8 0.7 -7.1 2.0 -2.3 57 62 A I H <4 S+ 0 0 1 -3,-1.8 4,-0.3 -4,-0.2 -2,-0.2 0.560 112.7 67.0-128.5 -21.4 -3.7 2.2 -0.6 58 63 A Q H >X S+ 0 0 73 -4,-2.8 4,-3.1 2,-0.2 3,-1.4 0.946 103.0 42.4 -64.1 -55.3 -3.4 5.9 0.4 59 64 A E H 3X S+ 0 0 134 -4,-0.9 4,-2.9 1,-0.3 5,-0.4 0.929 110.5 58.2 -63.4 -42.9 -6.1 6.1 3.1 60 65 A R H 34 S+ 0 0 25 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.516 117.1 34.7 -62.5 -10.5 -4.9 2.7 4.6 61 66 A I H <4>S+ 0 0 0 -3,-1.4 5,-2.2 -4,-0.3 4,-0.5 0.723 117.7 50.3-106.6 -43.9 -1.5 4.3 5.1 62 67 A A H <5S+ 0 0 63 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.831 116.1 40.7 -68.8 -37.3 -2.5 8.0 5.9 63 68 A A T <5S+ 0 0 89 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.698 107.1 63.8 -82.3 -23.2 -5.0 7.0 8.7 64 69 A L T 5S- 0 0 73 -5,-0.4 -2,-0.2 2,-0.0 -1,-0.2 0.543 126.5 -95.9 -79.2 -7.1 -2.7 4.2 10.1 65 70 A G T 5S+ 0 0 63 -4,-0.5 -3,-0.2 -3,-0.3 2,-0.2 0.521 92.6 88.2 110.1 13.3 -0.1 7.0 11.0 66 71 A Y < - 0 0 53 -5,-2.2 2,-0.3 -54,-0.0 -1,-0.3 -0.484 66.8-115.1-123.4-173.2 2.3 7.0 8.0 67 72 A T E -B 10 0A 95 -57,-0.6 -57,-2.5 -2,-0.2 2,-0.3 -1.000 18.6-131.4-136.9 143.1 2.6 8.7 4.5 68 73 A L E -B 9 0A 39 -2,-0.3 2,-0.3 -59,-0.2 -59,-0.2 -0.666 15.1-171.4 -88.3 141.4 2.5 7.3 0.9 69 74 A A E +B 8 0A 45 -61,-2.4 -61,-2.3 -2,-0.3 -2,-0.0 -0.900 16.9 158.8-133.6 106.9 5.1 8.1 -1.9 70 75 A E 0 0 57 -2,-0.3 -63,-0.1 -63,-0.2 -16,-0.0 -0.846 360.0 360.0-122.0 87.0 4.3 6.8 -5.5 71 76 A P 0 0 172 0, 0.0 -1,-0.1 0, 0.0 -64,-0.1 0.910 360.0 360.0 -79.9 360.0 6.5 9.1 -7.7