==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METALLOTHIONEIN 31-JUL-97 1AQS . COMPND 2 MOLECULE: CU-METALLOTHIONEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.W.PETERSON,S.S.NARULA,I.M.ARMITAGE . 40 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 27.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 2.5 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 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 7.5 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 Q 0 0 247 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.3 14.0 8.2 -8.5 2 2 A N + 0 0 133 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.941 360.0 113.7-122.3 115.9 10.3 7.5 -7.7 3 3 A E S S+ 0 0 169 1,-0.6 2,-0.2 -2,-0.5 -1,-0.1 0.418 70.6 24.1-141.1 -67.0 9.2 4.0 -6.9 4 4 A G + 0 0 29 1,-0.1 -1,-0.6 18,-0.1 19,-0.2 -0.603 53.1 164.2-104.2 169.2 8.0 3.2 -3.4 5 5 A H - 0 0 77 -2,-0.2 2,-0.2 19,-0.2 -1,-0.1 0.143 57.3 -44.8-145.2 -91.3 6.6 5.7 -0.7 6 6 A E - 0 0 149 20,-0.3 2,-1.8 18,-0.1 16,-0.2 -0.617 38.8-160.3-160.2 95.0 4.7 4.6 2.4 7 7 A C + 0 0 5 14,-0.7 13,-0.1 1,-0.2 16,-0.1 -0.534 20.7 165.4 -79.0 89.0 2.0 2.0 2.4 8 8 A Q + 0 0 158 -2,-1.8 -1,-0.2 2,-0.0 13,-0.1 0.248 28.2 153.4 -84.3 17.7 0.2 2.9 5.6 9 9 A C - 0 0 10 1,-0.2 22,-0.2 5,-0.1 -2,-0.1 -0.191 30.9-175.9 -50.6 131.5 -2.5 0.6 4.0 10 10 A Q + 0 0 137 20,-0.3 23,-0.2 4,-0.1 -1,-0.2 0.134 44.5 123.0-113.4 15.1 -4.6 -1.0 6.7 11 11 A C S S- 0 0 14 19,-0.3 4,-0.2 21,-0.2 22,-0.1 0.451 80.1 -97.2 -55.2-151.1 -6.5 -3.0 4.0 12 12 A G S S+ 0 0 56 2,-0.1 4,-0.3 3,-0.1 -1,-0.1 0.620 122.0 40.5-110.0 -20.7 -6.6 -6.8 4.3 13 13 A S S S+ 0 0 50 2,-0.1 27,-0.2 3,-0.1 4,-0.1 0.386 115.9 51.6-106.7 2.4 -3.8 -7.5 1.8 14 14 A C S S+ 0 0 5 2,-0.1 6,-0.2 4,-0.1 -2,-0.1 0.732 104.7 52.8-104.9 -34.5 -1.6 -4.7 3.1 15 15 A K S S+ 0 0 132 1,-0.2 -2,-0.1 -4,-0.2 -3,-0.1 0.801 116.2 40.4 -72.9 -28.6 -1.7 -5.5 6.8 16 16 A N S S+ 0 0 128 -4,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.648 107.6 67.8 -95.0 -15.6 -0.5 -9.1 6.1 17 17 A N > + 0 0 72 1,-0.1 3,-0.8 -4,-0.1 -1,-0.2 -0.805 51.1 167.4-107.0 96.0 2.0 -8.2 3.4 18 18 A E T 3 + 0 0 126 -2,-0.8 3,-0.3 1,-0.2 -1,-0.1 0.413 66.1 80.4 -87.1 5.4 4.9 -6.2 5.0 19 19 A Q T 3 S+ 0 0 172 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.478 100.1 37.5 -88.6 0.1 6.9 -6.6 1.8 20 20 A C S X S+ 0 0 20 -3,-0.8 3,-0.6 -6,-0.2 4,-0.4 0.249 83.7 98.8-130.8 9.3 5.1 -3.8 0.2 21 21 A Q T 3 S+ 0 0 96 -3,-0.3 -14,-0.7 1,-0.2 -2,-0.1 0.473 95.8 37.7 -78.1 3.0 4.6 -1.4 3.2 22 22 A K T 3 S+ 0 0 159 -16,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.315 131.2 25.0-131.3 2.6 7.6 0.5 1.9 23 23 A S S < S+ 0 0 63 -3,-0.6 -2,-0.2 -19,-0.2 -19,-0.0 -0.053 78.5 146.2-160.3 43.9 7.1 0.3 -1.9 24 24 A C - 0 0 1 -4,-0.4 -19,-0.2 2,-0.1 14,-0.1 -0.263 51.4-123.4 -79.3 172.1 3.3 -0.2 -2.6 25 25 A S S S+ 0 0 83 12,-0.1 -1,-0.1 -21,-0.1 -21,-0.1 -0.126 70.4 110.1-111.8 41.0 1.7 1.3 -5.7 26 26 A C - 0 0 5 1,-0.1 -20,-0.3 10,-0.1 -2,-0.1 -0.858 60.3-128.6-115.9 152.6 -1.0 3.4 -4.0 27 27 A P > - 0 0 102 0, 0.0 3,-1.0 0, 0.0 2,-0.8 0.034 51.4 -74.2 -79.3-167.4 -1.4 7.2 -3.7 28 28 A T T 3 S+ 0 0 152 1,-0.2 3,-0.1 2,-0.1 -21,-0.0 -0.125 123.5 71.5 -86.9 45.3 -2.1 9.0 -0.4 29 29 A G T 3 + 0 0 41 -2,-0.8 2,-0.5 1,-0.0 3,-0.3 0.095 63.2 102.2-139.8 16.7 -5.7 7.8 -0.4 30 30 A C < + 0 0 12 -3,-1.0 -20,-0.3 1,-0.2 -19,-0.3 -0.303 41.4 112.2 -99.9 51.3 -5.1 4.1 0.4 31 31 A N S S+ 0 0 107 -2,-0.5 2,-0.3 -22,-0.2 -1,-0.2 0.210 72.2 51.2-105.4 15.4 -6.0 4.3 4.0 32 32 A S S S- 0 0 65 -3,-0.3 2,-0.8 -23,-0.0 4,-0.2 -0.996 93.9 -98.2-151.3 143.9 -9.2 2.1 3.6 33 33 A D S S+ 0 0 126 -2,-0.3 2,-0.1 -23,-0.2 -2,-0.0 -0.448 78.3 107.7 -64.3 105.3 -10.0 -1.3 2.1 34 34 A D S S- 0 0 97 -2,-0.8 -1,-0.1 -4,-0.0 -4,-0.0 -0.324 90.6 -24.4-144.4-128.8 -11.4 -0.3 -1.3 35 35 A K S S+ 0 0 195 -2,-0.1 -2,-0.1 2,-0.1 -5,-0.0 0.009 78.3 171.7 -85.1 32.1 -10.1 -0.6 -4.8 36 36 A C - 0 0 30 -4,-0.2 2,-1.2 1,-0.2 -10,-0.1 -0.242 19.2-164.8 -49.0 102.7 -6.7 -0.6 -3.2 37 37 A P + 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -12,-0.1 -0.391 29.0 156.9 -89.2 56.4 -4.5 -1.4 -6.2 38 38 A C - 0 0 17 -2,-1.2 -14,-0.1 2,-0.1 -24,-0.0 0.180 63.2 -69.3 -66.6-164.5 -1.4 -2.2 -4.1 39 39 A G 0 0 41 1,-0.1 -25,-0.1 -19,-0.1 -15,-0.0 0.988 360.0 360.0 -54.8 -65.3 1.4 -4.4 -5.4 40 40 A N 0 0 186 -27,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.834 360.0 360.0-154.2 360.0 -0.7 -7.7 -5.4