==== 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 1DMD . COMPND 2 MOLECULE: CD6 METALLOTHIONEIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: CALLINECTES SAPIDUS; . AUTHOR S.S.NARULA,M.BROUWER,Y.HUA,I.M.ARMITAGE . 31 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 41.9 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 . 3 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 19.4 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 1 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 S 0 0 133 0, 0.0 2,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 120.6 -7.7 5.7 0.2 2 2 A P - 0 0 44 0, 0.0 5,-0.1 0, 0.0 20,-0.0 -0.408 360.0-113.8 -77.4 145.8 -6.3 2.3 -0.4 3 3 A C >> - 0 0 37 -2,-0.1 4,-0.6 1,-0.1 3,-0.6 0.243 43.7 -80.4 -66.1-165.1 -6.6 0.6 -3.8 4 4 A Q T 34 S+ 0 0 173 1,-0.2 4,-0.1 2,-0.1 -1,-0.1 0.379 130.4 45.5 -84.7 6.9 -8.7 -2.5 -4.6 5 5 A K T 34 S+ 0 0 154 16,-0.1 6,-0.2 2,-0.1 -1,-0.2 0.308 104.0 61.3-127.4 3.6 -5.9 -4.8 -3.3 6 6 A C T <> S+ 0 0 1 -3,-0.6 4,-0.5 4,-0.2 -2,-0.1 0.610 82.3 83.7-104.4 -19.7 -5.1 -2.9 -0.1 7 7 A T T >< S- 0 0 113 -4,-0.6 3,-0.5 1,-0.3 -2,-0.1 0.906 120.9 -6.3 -50.1 -94.6 -8.5 -3.2 1.6 8 8 A S T 34 S+ 0 0 126 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.095 143.2 57.0 -89.1 26.7 -8.4 -6.6 3.3 9 9 A G T 34 + 0 0 37 -3,-0.1 2,-0.8 0, 0.0 -2,-0.2 -0.116 57.9 164.6-150.4 51.5 -5.1 -7.2 1.5 10 10 A C << + 0 0 53 -4,-0.5 -4,-0.2 -3,-0.5 -3,-0.0 -0.564 7.9 175.3 -72.1 108.9 -2.4 -4.5 2.3 11 11 A K + 0 0 107 -2,-0.8 2,-0.7 -6,-0.2 -1,-0.2 0.565 46.2 100.1 -93.1 -8.2 0.7 -6.3 1.1 12 12 A C + 0 0 11 1,-0.2 3,-0.1 6,-0.1 -2,-0.0 -0.672 41.5 177.7 -82.6 117.4 3.1 -3.4 1.7 13 13 A A S S- 0 0 81 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.727 76.7 -2.7 -86.9 -21.3 5.0 -3.8 5.0 14 14 A T S > S- 0 0 62 -3,-0.1 4,-1.6 16,-0.1 3,-0.5 -0.931 90.2 -84.4-154.9 175.3 6.9 -0.6 4.3 15 15 A K H > S+ 0 0 135 -2,-0.3 4,-0.7 1,-0.2 14,-0.0 0.705 123.3 67.1 -64.0 -12.7 7.2 2.1 1.6 16 16 A E H >4 S+ 0 0 149 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.950 106.9 35.3 -73.0 -46.6 9.6 -0.3 -0.1 17 17 A E H >> S+ 0 0 99 -3,-0.5 3,-1.8 1,-0.2 4,-0.9 0.716 105.7 74.6 -78.3 -17.7 7.0 -3.0 -0.8 18 18 A C H 3X S+ 0 0 4 -4,-1.6 4,-2.1 1,-0.3 -1,-0.2 0.807 83.0 66.8 -63.4 -28.0 4.5 -0.1 -1.4 19 19 A S H << S+ 0 0 93 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.1 0.472 98.0 57.2 -73.0 1.9 6.2 0.5 -4.8 20 20 A K H <4 S+ 0 0 150 -3,-1.8 -1,-0.2 0, 0.0 -2,-0.2 0.842 122.0 16.5 -99.9 -46.6 4.9 -2.9 -5.8 21 21 A T H < S+ 0 0 35 -4,-0.9 2,-0.2 1,-0.0 -2,-0.2 0.642 137.9 0.6-102.1 -16.1 1.1 -2.6 -5.4 22 22 A C < - 0 0 20 -4,-2.1 -1,-0.0 -5,-0.3 0, 0.0 -0.805 59.8-126.2-150.5-168.3 1.0 1.2 -5.1 23 23 A T S S+ 0 0 123 -2,-0.2 -4,-0.1 1,-0.2 -5,-0.1 0.463 87.3 24.7-126.5 -12.1 3.2 4.3 -5.3 24 24 A K S S- 0 0 157 -6,-0.2 2,-1.3 6,-0.0 -1,-0.2 -0.877 99.5 -69.0-144.3 176.6 2.2 6.0 -2.0 25 25 A P - 0 0 59 0, 0.0 -10,-0.0 0, 0.0 -7,-0.0 -0.574 50.5-161.4 -75.1 94.7 0.8 5.3 1.5 26 26 A C - 0 0 26 -2,-1.3 -4,-0.0 1,-0.2 -8,-0.0 0.252 53.2 -69.3 -55.0-161.5 -2.8 4.4 0.7 27 27 A S S S+ 0 0 93 1,-0.2 -1,-0.2 -24,-0.0 4,-0.1 0.202 135.8 27.8 -82.5 24.2 -5.0 4.6 3.8 28 28 A C S S+ 0 0 56 2,-0.1 -1,-0.2 -27,-0.1 3,-0.1 0.490 96.7 85.6-151.3 -29.8 -3.1 1.6 5.3 29 29 A C S S- 0 0 17 -5,-0.1 -14,-0.1 1,-0.1 -16,-0.1 0.253 98.4 -49.8 -61.2-155.4 0.4 1.3 4.0 30 30 A P 0 0 32 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.090 360.0 360.0 -72.0 177.7 3.1 3.3 6.0 31 31 A K 0 0 236 -3,-0.1 -5,-0.0 -4,-0.1 -3,-0.0 0.063 360.0 360.0 -86.0 360.0 2.7 7.0 6.8