==== 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 1AQR . 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) . 3571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 32.5 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 . 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 . 6 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 15.0 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+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 0 223 0, 0.0 24,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -40.4 8.5 -0.1 -10.0 2 2 A N + 0 0 142 2,-0.0 2,-0.3 1,-0.0 21,-0.0 0.129 360.0 61.7-106.1 21.5 11.7 0.5 -8.0 3 3 A E + 0 0 152 20,-0.1 2,-0.1 0, 0.0 20,-0.1 -1.000 51.2 153.0-146.6 143.9 10.3 3.4 -5.9 4 4 A G - 0 0 29 -2,-0.3 19,-0.2 18,-0.3 21,-0.1 -0.314 28.2-138.5-139.1-135.8 7.4 3.7 -3.5 5 5 A H - 0 0 84 -2,-0.1 2,-0.2 19,-0.1 -1,-0.1 -0.022 60.2 -35.9-159.4 -86.7 6.5 6.0 -0.5 6 6 A E - 0 0 148 18,-0.2 2,-1.8 17,-0.0 16,-0.2 -0.654 40.9-161.6-160.5 98.1 5.0 4.8 2.7 7 7 A C + 0 0 1 14,-0.8 13,-0.1 -2,-0.2 16,-0.0 -0.535 24.7 159.2 -84.4 84.6 2.4 2.0 2.9 8 8 A Q + 0 0 144 -2,-1.8 -1,-0.2 2,-0.0 13,-0.1 0.267 30.8 151.5 -83.8 15.9 0.9 2.6 6.3 9 9 A C - 0 0 20 1,-0.2 22,-0.1 5,-0.1 -2,-0.1 -0.192 32.5-177.3 -51.4 132.3 -1.9 0.6 4.8 10 10 A Q + 0 0 147 4,-0.1 -1,-0.2 5,-0.1 23,-0.1 0.109 42.7 127.4-115.2 16.2 -3.9 -1.3 7.3 11 11 A C S S- 0 0 8 19,-0.1 4,-0.5 21,-0.1 22,-0.1 0.370 79.0 -94.9 -54.4-158.2 -6.1 -2.8 4.6 12 12 A G S S+ 0 0 49 21,-0.2 4,-0.3 2,-0.1 5,-0.1 0.713 125.3 38.7 -98.4 -24.7 -6.6 -6.6 4.3 13 13 A S S S+ 0 0 45 3,-0.1 4,-0.5 2,-0.1 -1,-0.1 0.440 118.7 49.2-103.0 -0.4 -3.8 -7.2 1.8 14 14 A C S S+ 0 0 0 2,-0.1 6,-0.2 26,-0.1 -2,-0.1 0.741 107.0 51.8-104.1 -34.9 -1.5 -4.6 3.4 15 15 A K S S+ 0 0 148 -4,-0.5 3,-0.2 1,-0.1 -2,-0.1 0.751 120.1 36.8 -74.0 -23.2 -1.7 -5.7 7.0 16 16 A N S S+ 0 0 139 -4,-0.3 2,-1.3 1,-0.2 -2,-0.1 0.891 116.2 48.5 -95.0 -54.2 -0.8 -9.3 5.9 17 17 A N > + 0 0 78 -4,-0.5 3,-0.7 1,-0.2 -1,-0.2 -0.675 58.8 166.4 -89.8 91.8 1.7 -8.8 3.1 18 18 A E G > + 0 0 140 -2,-1.3 3,-1.5 1,-0.2 -1,-0.2 0.373 55.0 96.2 -86.2 8.8 4.2 -6.3 4.6 19 19 A Q G 3 S+ 0 0 181 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.553 86.7 48.0 -74.6 -2.4 6.6 -7.0 1.8 20 20 A C G X S+ 0 0 20 -3,-0.7 3,-1.0 -6,-0.2 4,-0.4 0.158 74.9 106.5-120.3 16.4 5.2 -4.0 0.1 21 21 A Q T < S+ 0 0 40 -3,-1.5 -14,-0.8 1,-0.2 -2,-0.1 0.504 90.0 40.2 -75.5 1.4 5.4 -1.6 3.0 22 22 A K T 3 S+ 0 0 177 -16,-0.2 -18,-0.3 -3,-0.1 -1,-0.2 0.286 129.2 26.0-128.2 6.1 8.3 0.1 1.3 23 23 A S S < S+ 0 0 66 -3,-1.0 2,-0.4 -19,-0.2 -2,-0.2 -0.013 72.3 153.4-160.3 40.5 7.1 0.0 -2.3 24 24 A C - 0 0 2 -4,-0.4 2,-1.7 1,-0.1 -18,-0.2 -0.637 41.1-139.2 -79.4 127.7 3.3 -0.0 -2.3 25 25 A S + 0 0 85 -2,-0.4 -1,-0.1 12,-0.1 -21,-0.1 -0.319 58.5 123.5 -84.8 59.1 2.0 1.5 -5.6 26 26 A C - 0 0 8 -2,-1.7 10,-0.1 10,-0.1 -2,-0.1 -0.907 53.8-132.6-121.1 150.3 -0.9 3.5 -4.0 27 27 A P > - 0 0 92 0, 0.0 3,-0.9 0, 0.0 2,-0.5 -0.055 46.0 -82.1 -82.5-171.0 -1.8 7.2 -4.1 28 28 A T T 3 S+ 0 0 154 1,-0.2 3,-0.0 2,-0.0 -2,-0.0 -0.121 120.3 71.3 -90.0 44.2 -2.7 9.3 -1.0 29 29 A G T > + 0 0 49 -2,-0.5 2,-1.5 6,-0.1 3,-0.5 0.090 57.3 116.6-138.7 17.3 -6.3 8.1 -1.2 30 30 A C T < + 0 0 22 -3,-0.9 -19,-0.1 1,-0.2 6,-0.1 -0.320 33.5 116.6 -87.0 56.9 -5.7 4.5 -0.0 31 31 A N T 3 + 0 0 152 -2,-1.5 2,-0.2 4,-0.1 -1,-0.2 0.517 59.6 75.1 -99.7 -6.4 -7.8 4.8 3.1 32 32 A S S X S- 0 0 64 -3,-0.5 3,-0.5 3,-0.2 -21,-0.1 -0.692 75.6-135.7-103.8 159.4 -10.4 2.2 2.1 33 33 A D T 3 S+ 0 0 109 -2,-0.2 -21,-0.2 1,-0.2 3,-0.1 0.385 103.4 50.5 -93.8 6.4 -10.0 -1.6 2.1 34 34 A D T 3 S+ 0 0 162 1,-0.1 -1,-0.2 -23,-0.1 -3,-0.0 -0.118 104.2 54.0-134.1 39.9 -11.6 -1.9 -1.4 35 35 A K S < S+ 0 0 158 -3,-0.5 -3,-0.2 -5,-0.0 -1,-0.1 -0.064 70.2 126.3-160.4 35.3 -9.7 0.7 -3.4 36 36 A C - 0 0 28 -3,-0.1 2,-1.4 -6,-0.1 -10,-0.1 -0.835 34.4-174.7-108.4 98.0 -6.1 -0.4 -2.8 37 37 A P + 0 0 78 0, 0.0 -12,-0.1 0, 0.0 -1,-0.1 -0.282 40.2 137.6 -83.5 50.1 -4.2 -0.9 -6.0 38 38 A C S S- 0 0 18 -2,-1.4 -14,-0.1 -14,-0.1 -24,-0.0 0.053 78.9 -69.1 -81.2-162.8 -1.2 -2.3 -4.1 39 39 A G 0 0 68 -22,-0.1 -1,-0.1 -19,-0.1 -25,-0.0 0.809 360.0 360.0 -62.2 -25.7 1.0 -5.3 -5.1 40 40 A N 0 0 141 -23,-0.1 -26,-0.1 -27,-0.1 -4,-0.1 0.364 360.0 360.0-152.3 360.0 -2.0 -7.5 -4.2