==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METALLOTHIONEIN 22-NOV-94 1DMF . COMPND 2 MOLECULE: CD6 METALLOTHIONEIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: CALLINECTES SAPIDUS; . AUTHOR S.S.NARULA,M.BROUWER,Y.HUA,I.M.ARMITAGE . 28 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 32.1 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 . 5 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 3.6 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 . 1 3.6 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 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 P 0 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.7 -12.5 3.3 3.1 2 2 A G - 0 0 47 1,-0.3 3,-0.0 2,-0.1 4,-0.0 -0.161 360.0 -68.0-106.0-156.1 -10.4 1.1 0.8 3 3 A P - 0 0 44 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.152 49.1-102.2 -79.5-160.4 -6.9 -0.5 1.2 4 4 A C S > S+ 0 0 5 15,-1.4 2,-1.2 1,-0.2 3,-0.7 0.896 112.4 40.8 -95.2 -58.4 -3.6 1.4 1.3 5 5 A C T 3 S+ 0 0 18 14,-0.5 -1,-0.2 1,-0.2 4,-0.1 -0.263 75.4 115.8 -87.9 54.8 -2.1 1.0 -2.1 6 6 A N T 3 S- 0 0 119 -2,-1.2 -1,-0.2 -3,-0.3 3,-0.1 0.772 109.5 -14.7 -88.5 -25.8 -5.3 1.5 -4.0 7 7 A D S < S+ 0 0 157 -3,-0.7 -2,-0.1 1,-0.1 2,-0.1 0.072 135.1 61.8-160.5 24.8 -3.8 4.7 -5.5 8 8 A K - 0 0 127 -4,-0.2 2,-1.2 7,-0.0 -2,-0.2 -0.557 61.7-150.9-159.1 93.9 -0.8 5.3 -3.3 9 9 A C + 0 0 66 1,-0.2 3,-0.3 -4,-0.1 -4,-0.1 -0.468 29.2 173.1 -64.9 101.7 2.2 3.1 -2.9 10 10 A V > + 0 0 26 -2,-1.2 5,-1.9 1,-0.2 6,-1.4 0.007 48.8 95.1-103.2 28.1 2.8 4.4 0.7 11 11 A C T 5 + 0 0 43 4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.840 66.3 74.5 -87.0 -32.5 5.6 2.0 1.6 12 12 A Q T 5S+ 0 0 205 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.796 124.1 2.5 -49.0 -23.4 8.3 4.4 0.6 13 13 A E T 5S- 0 0 179 -3,-0.2 -3,-0.1 -4,-0.1 -2,-0.1 0.319 112.6 -74.1-127.4 -99.5 7.3 6.1 3.9 14 14 A G T 5S+ 0 0 68 2,-0.0 -3,-0.2 0, 0.0 -4,-0.1 0.043 88.4 111.5-161.4 32.3 4.6 4.7 6.2 15 15 A G < + 0 0 38 -5,-1.9 -4,-0.2 -6,-0.0 -5,-0.1 0.598 50.9 103.9 -89.9 -11.5 1.2 5.4 4.5 16 16 A C - 0 0 30 -6,-1.4 2,-0.2 1,-0.1 -7,-0.0 0.180 53.6-163.3 -55.4-169.3 0.4 1.8 3.8 17 17 A K - 0 0 107 0, 0.0 2,-1.0 0, 0.0 3,-0.3 -0.870 42.1 -64.5-159.2-168.8 -2.2 -0.0 5.9 18 18 A A S S+ 0 0 113 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.135 119.5 64.4 -84.3 44.1 -3.5 -3.5 6.8 19 19 A G + 0 0 21 -2,-1.0 -15,-1.4 0, 0.0 2,-1.1 -0.263 59.7 165.7-160.2 59.8 -4.7 -4.1 3.2 20 20 A C + 0 0 46 -3,-0.3 7,-0.0 1,-0.2 5,-0.0 -0.691 12.3 149.4 -87.0 101.1 -1.7 -4.1 0.9 21 21 A Q + 0 0 170 -2,-1.1 -1,-0.2 2,-0.0 -15,-0.1 0.704 44.7 102.5 -99.3 -25.3 -2.8 -5.6 -2.5 22 22 A C - 0 0 38 -3,-0.2 3,-0.1 1,-0.1 -16,-0.1 0.055 64.6-145.4 -49.6 166.3 -0.3 -3.5 -4.5 23 23 A T S S+ 0 0 134 1,-0.1 -1,-0.1 -18,-0.1 3,-0.1 -0.360 77.0 77.7-136.0 55.6 2.8 -5.3 -5.8 24 24 A S S S+ 0 0 107 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.140 83.5 61.6-149.5 21.2 5.6 -2.6 -5.6 25 25 A C S S- 0 0 26 -3,-0.1 2,-2.2 -14,-0.1 -1,-0.2 -0.944 71.8-137.8-151.7 124.9 6.5 -2.5 -1.9 26 26 A R + 0 0 219 -2,-0.3 -3,-0.1 1,-0.2 0, 0.0 -0.574 37.0 171.5 -85.1 76.8 7.9 -5.4 0.1 27 27 A C 0 0 59 -2,-2.2 -1,-0.2 -7,-0.0 -11,-0.0 0.989 360.0 360.0 -53.6 -72.5 5.6 -4.6 2.9 28 28 A S 0 0 170 -3,-0.2 -2,-0.1 0, 0.0 0, 0.0 0.852 360.0 360.0-103.3 360.0 6.2 -7.6 5.2