==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JUN-04 1TO4 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR R.M.F.CARDOSO,C.H.T.P.SILVA,A.P.ULIAN DE ARAUJO,T.TANAKA,M.T . 624 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 41 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 3 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 . 4 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 . 12 2 2 4 8 4 6 2 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 4 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 -3 A G 0 0 127 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 176.5 33.7 -9.0 7.3 2 -2 A S - 0 0 57 1,-0.1 2,-0.3 107,-0.0 107,-0.1 -0.413 360.0-102.5 -71.5 155.2 33.1 -5.5 5.8 3 -1 A N + 0 0 43 105,-0.3 105,-0.2 1,-0.1 -1,-0.1 -0.601 40.6 170.0 -79.5 135.2 29.8 -4.6 4.3 4 1 A M + 0 0 74 -2,-0.3 20,-2.2 150,-0.3 2,-0.3 0.513 61.2 37.7-121.9 -12.2 29.7 -4.7 0.5 5 2 A K E +A 23 0A 88 149,-0.3 149,-2.3 18,-0.2 2,-0.3 -0.999 56.3 171.8-145.0 144.4 26.0 -4.3 -0.3 6 3 A A E -AB 22 153A 3 16,-2.2 16,-2.6 -2,-0.3 2,-0.3 -0.963 10.5-159.1-146.9 160.2 23.0 -2.4 1.1 7 4 A V E -AB 21 152A 3 145,-2.4 145,-2.9 -2,-0.3 2,-0.4 -0.989 3.1-165.7-143.6 148.6 19.4 -1.7 0.2 8 5 A C E -A 20 0A 1 12,-2.6 12,-2.8 -2,-0.3 2,-0.6 -0.942 7.0-158.8-140.7 118.1 16.8 0.9 1.1 9 6 A V E -A 19 0A 48 141,-0.5 2,-0.5 -2,-0.4 10,-0.2 -0.851 19.6-155.3 -95.4 118.7 13.0 0.6 0.4 10 7 A M E +A 18 0A 1 8,-2.9 8,-2.1 -2,-0.6 2,-0.3 -0.867 23.1 155.0-104.4 129.0 11.6 4.1 0.4 11 8 A T B +C 148 0A 84 137,-2.5 137,-2.3 -2,-0.5 2,-0.3 -0.883 5.2 150.5-142.1 171.8 7.9 4.7 1.1 12 9 A G - 0 0 40 -2,-0.3 3,-0.2 4,-0.3 135,-0.1 -0.933 54.7 -86.8-175.8-164.8 5.6 7.4 2.4 13 10 A T S S+ 0 0 153 -2,-0.3 134,-0.1 133,-0.3 133,-0.1 0.059 102.2 82.3-114.9 21.3 2.0 8.7 2.2 14 11 A A S S- 0 0 54 132,-0.6 -1,-0.1 2,-0.3 3,-0.1 0.168 109.6-101.2-110.7 15.5 2.6 10.9 -0.8 15 12 A G S S+ 0 0 65 1,-0.3 2,-0.4 -3,-0.2 132,-0.1 0.530 86.3 122.3 78.4 5.4 2.2 8.3 -3.5 16 13 A V + 0 0 7 130,-0.3 2,-0.3 21,-0.0 -4,-0.3 -0.843 30.2 160.7-105.2 136.9 5.9 8.1 -3.9 17 14 A K E + D 0 38A 131 21,-1.7 21,-2.3 -2,-0.4 2,-0.3 -0.974 3.1 151.9-147.5 157.3 8.0 4.9 -3.6 18 15 A G E -AD 10 37A 9 -8,-2.1 -8,-2.9 -2,-0.3 2,-0.4 -0.984 31.2-123.7-169.2-180.0 11.3 3.6 -4.6 19 16 A V E -AD 9 36A 52 17,-1.9 17,-1.9 -2,-0.3 2,-0.4 -0.997 16.1-162.5-142.0 134.4 14.3 1.4 -4.0 20 17 A V E -AD 8 35A 0 -12,-2.8 -12,-2.6 -2,-0.4 2,-0.4 -0.941 5.0-165.8-119.5 137.1 17.9 2.3 -3.6 21 18 A K E -AD 7 34A 114 13,-2.9 13,-2.4 -2,-0.4 2,-0.4 -0.966 3.5-166.4-122.5 141.8 20.8 -0.2 -3.9 22 19 A F E -AD 6 33A 1 -16,-2.6 -16,-2.2 -2,-0.4 2,-0.4 -0.979 4.9-173.8-129.2 140.9 24.4 0.4 -2.8 23 20 A T E -AD 5 32A 61 9,-1.9 9,-2.8 -2,-0.4 2,-0.4 -0.991 2.2-179.0-132.6 143.7 27.6 -1.5 -3.5 24 21 A Q E - D 0 31A 4 -20,-2.2 7,-0.1 -2,-0.4 3,-0.0 -0.962 12.9-164.6-143.8 122.6 31.1 -1.0 -2.1 25 22 A E S S+ 0 0 162 5,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.853 75.7 26.2 -76.3 -39.0 34.1 -3.0 -3.1 26 23 A T S > S- 0 0 80 4,-0.3 3,-1.4 1,-0.0 -1,-0.1 -0.889 89.8 -99.4-125.7 161.7 36.5 -2.0 -0.2 27 24 A D T 3 S+ 0 0 76 -2,-0.3 82,-0.3 1,-0.3 81,-0.3 0.807 120.4 13.7 -46.2 -45.2 36.0 -0.8 3.3 28 25 A N T 3 S+ 0 0 136 79,-0.1 -1,-0.3 80,-0.1 3,-0.1 0.115 102.1 116.2-122.2 19.4 36.5 2.9 2.5 29 26 A G S < S- 0 0 9 -3,-1.4 74,-0.1 1,-0.2 0, 0.0 -0.205 76.3 -64.8 -81.4 177.2 36.3 2.8 -1.3 30 27 A P - 0 0 61 0, 0.0 -5,-0.6 0, 0.0 2,-0.5 -0.221 47.6-133.5 -62.4 153.1 33.6 4.6 -3.5 31 28 A V E -DE 24 103A 0 72,-3.0 72,-2.7 75,-0.2 2,-0.5 -0.929 8.3-141.5-111.9 128.4 30.0 3.5 -3.2 32 29 A H E -DE 23 102A 90 -9,-2.8 -9,-1.9 -2,-0.5 2,-0.4 -0.789 19.8-162.8 -89.0 131.1 27.9 2.9 -6.3 33 30 A V E +DE 22 101A 4 68,-3.6 68,-2.0 -2,-0.5 2,-0.4 -0.952 13.6 175.5-118.8 130.8 24.3 4.1 -5.9 34 31 A H E +DE 21 100A 66 -13,-2.4 -13,-2.9 -2,-0.4 2,-0.3 -0.989 9.1 175.4-133.4 125.6 21.4 3.0 -8.0 35 32 A A E -DE 20 99A 0 64,-2.7 64,-2.7 -2,-0.4 2,-0.4 -0.969 13.8-167.5-134.8 148.9 17.8 4.2 -7.3 36 33 A E E -DE 19 98A 108 -17,-1.9 -17,-1.9 -2,-0.3 2,-0.3 -0.998 13.2-179.9-132.7 134.5 14.4 3.9 -8.9 37 34 A F E -DE 18 97A 9 60,-2.3 60,-2.1 -2,-0.4 2,-0.3 -0.936 10.9-166.6-135.5 158.5 11.3 5.8 -8.0 38 35 A S E +D 17 0A 34 -21,-2.3 -21,-1.7 -2,-0.3 58,-0.2 -0.948 65.7 39.1-137.5 157.8 7.7 6.1 -9.1 39 36 A G S S+ 0 0 46 55,-0.3 2,-0.2 -2,-0.3 57,-0.2 0.536 76.5 143.8 82.8 9.0 4.9 8.6 -8.4 40 37 A L - 0 0 8 55,-2.4 -1,-0.2 -23,-0.1 2,-0.2 -0.482 55.6-112.8 -84.8 150.0 7.1 11.7 -8.5 41 38 A K - 0 0 143 -2,-0.2 50,-0.3 82,-0.1 -1,-0.1 -0.578 52.5 -90.4 -73.4 140.6 6.1 15.1 -9.9 42 39 A A S S+ 0 0 63 -2,-0.2 2,-0.3 51,-0.2 50,-0.2 -0.254 92.1 42.1 -54.5 137.7 8.2 15.8 -13.0 43 40 A G E S-F 91 0A 32 48,-2.5 48,-3.0 -3,-0.1 2,-0.3 -0.757 96.0 -26.8 123.1-168.8 11.4 17.6 -12.2 44 41 A K E -F 90 0A 101 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.625 46.5-169.1 -91.3 143.5 14.3 17.4 -9.7 45 42 A H E -F 89 0A 3 44,-2.3 44,-2.8 -2,-0.3 80,-0.3 -0.993 27.7-112.6-134.9 126.7 14.0 16.1 -6.1 46 43 A G E -F 88 0A 0 78,-2.7 76,-2.8 -2,-0.4 2,-0.4 -0.208 32.3-166.5 -56.1 142.9 16.5 16.4 -3.3 47 44 A F E + G 0 121A 0 40,-2.3 39,-1.5 74,-0.2 2,-0.3 -0.956 18.4 150.5-140.6 112.6 18.1 13.1 -2.3 48 45 A H E -FG 85 120A 0 72,-2.1 72,-2.4 -2,-0.4 2,-0.6 -0.956 47.7-111.5-143.5 163.0 20.1 12.7 0.9 49 46 A V E - G 0 119A 0 35,-2.3 17,-2.9 -2,-0.3 2,-0.3 -0.849 37.9-154.8 -90.5 122.6 21.2 10.4 3.7 50 47 A H E -HG 65 118A 0 68,-3.5 68,-1.9 -2,-0.6 15,-0.3 -0.685 21.5-113.9 -96.9 154.4 19.6 11.6 6.9 51 48 A E S S+ 0 0 60 13,-3.0 2,-0.4 -2,-0.3 12,-0.2 0.812 90.8 53.1 -60.1 -40.8 21.1 10.9 10.3 52 49 A F - 0 0 47 10,-2.6 2,-0.3 12,-0.2 259,-0.2 -0.836 63.7-146.4-108.1 139.7 18.6 8.6 12.0 53 50 A G + 0 0 1 257,-1.8 2,-0.6 63,-0.7 256,-0.2 -0.134 63.5 125.2 -87.1 40.5 17.1 5.4 10.6 54 51 A D + 0 0 21 -2,-0.3 3,-0.2 7,-0.3 -2,-0.1 -0.897 25.5 161.9-109.2 115.5 13.9 6.2 12.4 55 52 A T > + 0 0 36 -2,-0.6 3,-0.6 6,-0.1 -1,-0.1 -0.045 40.1 114.8-119.2 28.6 10.7 6.4 10.4 56 53 A T T 3 S+ 0 0 58 1,-0.3 2,-0.3 3,-0.1 -1,-0.1 0.745 84.7 41.5 -69.3 -23.1 8.2 6.1 13.3 57 54 A N T >> S- 0 0 94 1,-0.5 3,-1.4 -3,-0.2 4,-1.0 -0.628 124.8 -93.6-122.9 68.8 7.0 9.7 12.6 58 55 A G T <4 S- 0 0 50 -3,-0.6 -1,-0.5 -2,-0.3 3,-0.1 -0.313 84.3 -39.8 56.1-132.2 6.8 9.6 8.8 59 56 A a T >4 S+ 0 0 13 86,-0.2 3,-1.3 1,-0.1 -1,-0.3 0.479 125.2 86.4-102.4 -5.1 10.2 10.9 7.6 60 57 A T G X4 S+ 0 0 101 -3,-1.4 3,-1.5 1,-0.3 -2,-0.2 0.872 81.4 60.9 -63.2 -37.6 10.4 13.7 10.2 61 58 A S G 3< S+ 0 0 34 -4,-1.0 -7,-0.3 1,-0.3 -1,-0.3 0.561 82.7 83.5 -68.4 -5.9 12.0 11.4 12.7 62 59 A A G < S- 0 0 0 -3,-1.3 -10,-2.6 1,-0.2 -1,-0.3 0.617 86.7-151.8 -73.7 -10.5 14.9 10.8 10.4 63 60 A G < - 0 0 17 -3,-1.5 -1,-0.2 -12,-0.2 3,-0.1 -0.323 33.0 -33.6 75.6-158.9 16.5 14.0 11.6 64 61 A A S S- 0 0 53 1,-0.2 -13,-3.0 -14,-0.1 -12,-0.2 -0.193 84.2 -57.6 -92.6-178.4 18.8 16.2 9.6 65 62 A H B -H 50 0A 12 -15,-0.3 2,-0.3 73,-0.2 -15,-0.3 -0.364 62.3-101.9 -63.1 139.3 21.4 15.4 6.9 66 63 A F + 0 0 12 -17,-2.9 18,-2.3 52,-0.2 17,-0.3 -0.496 52.2 168.5 -62.3 120.4 24.1 13.0 8.0 67 64 A N > + 0 0 38 -2,-0.3 3,-1.8 15,-0.2 -1,-0.1 -0.382 18.1 152.0-140.6 63.0 27.1 15.3 8.6 68 65 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.737 80.6 56.0 -67.2 -21.2 30.0 13.7 10.5 69 66 A T T 3 S- 0 0 51 -3,-0.1 -2,-0.0 12,-0.1 13,-0.0 0.435 105.8-131.4 -88.5 -1.6 32.5 16.1 8.8 70 67 A K < + 0 0 168 -3,-1.8 2,-0.2 1,-0.2 12,-0.1 0.903 54.7 141.6 55.3 50.9 30.5 19.0 10.2 71 68 A Q - 0 0 81 10,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.602 54.4 -94.1-112.0 173.7 30.3 21.0 6.9 72 69 A E - 0 0 108 -2,-0.2 66,-0.2 1,-0.1 -1,-0.1 -0.488 55.4 -81.7 -81.4 161.9 27.6 23.1 5.3 73 70 A H + 0 0 2 64,-2.6 2,-0.2 8,-0.2 -1,-0.1 -0.330 63.8 147.8 -63.5 143.2 25.2 21.6 2.7 74 71 A G - 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