==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JUN-04 1TO5 . 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, . 624 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27438.0 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 . 209 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 46 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 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 . 11 3 2 4 8 3 8 1 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 0 131 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.0 -16.3 38.7 19.5 2 -2 A S - 0 0 59 107,-0.1 2,-0.2 0, 0.0 107,-0.1 -0.982 360.0-121.7-151.6 136.1 -14.5 40.9 16.8 3 -1 A N + 0 0 51 105,-0.4 105,-0.2 -2,-0.3 3,-0.1 -0.503 24.9 173.4 -78.8 143.1 -10.9 41.8 16.1 4 1 A M + 0 0 93 150,-0.3 20,-2.3 1,-0.3 2,-0.3 0.440 64.1 38.3-126.2 -7.7 -9.8 45.5 16.1 5 2 A K E +A 23 0A 88 149,-0.3 149,-2.6 18,-0.3 2,-0.3 -0.998 54.2 173.6-149.1 145.3 -6.1 45.2 15.7 6 3 A A E -AB 22 153A 2 16,-2.0 16,-2.7 -2,-0.3 2,-0.3 -0.959 11.0-157.7-145.3 158.9 -3.5 43.1 13.9 7 4 A V E -AB 21 152A 4 145,-2.5 145,-2.7 -2,-0.3 2,-0.4 -0.985 2.7-166.0-141.9 150.6 0.2 43.2 13.4 8 5 A C E -A 20 0A 0 12,-2.5 12,-2.6 -2,-0.3 2,-0.6 -0.925 6.5-160.0-144.1 115.1 2.6 41.8 10.8 9 6 A V E -A 19 0A 49 141,-0.5 2,-0.6 -2,-0.4 10,-0.2 -0.837 18.3-156.2 -93.4 121.1 6.4 41.5 11.1 10 7 A M E +A 18 0A 0 8,-3.3 8,-2.0 -2,-0.6 2,-0.2 -0.887 23.9 152.1-108.1 122.6 7.9 41.1 7.7 11 8 A T B +C 148 0A 68 137,-2.2 137,-2.3 -2,-0.6 2,-0.3 -0.790 3.6 149.0-134.3 176.4 11.3 39.5 7.1 12 9 A G - 0 0 18 -2,-0.2 135,-0.1 135,-0.2 3,-0.1 -0.899 56.3 -80.3-178.0-155.7 13.2 37.6 4.4 13 10 A T S S+ 0 0 135 133,-0.4 134,-0.1 -2,-0.3 330,-0.0 -0.255 102.2 80.6-128.8 45.1 16.6 37.0 3.1 14 11 A A S S- 0 0 40 2,-0.3 -1,-0.1 132,-0.3 3,-0.1 0.296 108.2-100.0-129.3 3.7 17.1 40.2 1.0 15 12 A G S S+ 0 0 39 1,-0.3 2,-0.4 327,-0.2 132,-0.1 0.511 87.7 122.3 86.6 5.2 18.1 42.7 3.7 16 13 A V + 0 0 7 130,-0.3 -1,-0.3 21,-0.1 -2,-0.3 -0.868 30.1 154.6-106.0 132.6 14.5 44.0 3.7 17 14 A K E + D 0 38A 122 21,-1.7 21,-1.9 -2,-0.4 2,-0.3 -0.946 4.4 150.6-147.7 167.1 12.3 44.1 6.8 18 15 A G E -AD 10 37A 9 -8,-2.0 -8,-3.3 -2,-0.3 2,-0.4 -0.980 32.3-115.7 178.3 173.7 9.4 46.0 8.2 19 16 A V E -AD 9 36A 51 17,-1.6 17,-2.0 -2,-0.3 2,-0.4 -0.990 18.4-162.3-132.5 139.9 6.3 46.0 10.4 20 17 A V E -AD 8 35A 0 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.4 -0.955 4.5-165.4-122.2 140.6 2.7 46.5 9.5 21 18 A K E -AD 7 34A 105 13,-2.6 13,-2.1 -2,-0.4 2,-0.4 -0.982 2.7-168.6-127.1 139.0 -0.1 47.5 11.8 22 19 A F E -AD 6 33A 1 -16,-2.7 -16,-2.0 -2,-0.4 2,-0.4 -0.951 4.6-176.1-125.6 147.0 -3.9 47.3 11.2 23 20 A T E -AD 5 32A 57 9,-1.5 9,-2.6 -2,-0.4 2,-0.4 -0.993 2.3-172.5-141.4 136.5 -6.8 48.7 13.2 24 21 A Q E - D 0 31A 2 -20,-2.3 7,-0.1 -2,-0.4 -2,-0.0 -0.959 9.2-165.7-134.8 114.1 -10.5 48.2 12.4 25 22 A E S S+ 0 0 179 5,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.911 74.7 24.7 -65.1 -46.7 -13.1 50.1 14.4 26 23 A T S S- 0 0 71 4,-0.3 3,-0.5 1,-0.1 -1,-0.1 -0.822 86.9-101.9-122.4 163.8 -16.1 48.0 13.3 27 24 A D S S+ 0 0 87 -2,-0.3 81,-0.3 1,-0.3 82,-0.2 0.847 120.6 12.3 -45.9 -49.5 -16.7 44.5 12.2 28 25 A N S S+ 0 0 137 79,-0.1 -1,-0.3 80,-0.1 3,-0.1 0.258 104.2 117.1-115.7 8.1 -17.1 45.4 8.5 29 26 A G S S- 0 0 9 -3,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.087 75.6 -71.6 -70.6 175.3 -15.8 48.9 8.6 30 27 A P - 0 0 58 0, 0.0 -5,-0.6 0, 0.0 2,-0.5 -0.207 46.5-129.3 -65.4 159.1 -12.7 50.2 6.8 31 28 A V E -DE 24 103A 0 72,-3.3 72,-2.6 -7,-0.1 2,-0.5 -0.949 7.9-140.8-117.0 129.0 -9.2 49.2 8.0 32 29 A H E -DE 23 102A 103 -9,-2.6 -9,-1.5 -2,-0.5 2,-0.4 -0.752 21.7-164.2 -88.1 128.7 -6.4 51.6 8.7 33 30 A V E +DE 22 101A 4 68,-3.5 68,-1.9 -2,-0.5 2,-0.4 -0.940 13.5 174.7-118.0 135.2 -3.0 50.3 7.5 34 31 A H E +DE 21 100A 57 -13,-2.1 -13,-2.6 -2,-0.4 2,-0.3 -0.961 7.7 174.1-140.4 120.0 0.4 51.6 8.5 35 32 A A E -DE 20 99A 0 64,-2.5 64,-2.9 -2,-0.4 2,-0.4 -0.921 13.6-163.0-128.6 154.0 3.7 50.0 7.5 36 33 A E E -DE 19 98A 105 -17,-2.0 -17,-1.6 -2,-0.3 2,-0.3 -0.999 12.5-178.0-136.1 134.8 7.4 50.8 7.8 37 34 A F E -DE 18 97A 10 60,-2.8 60,-2.3 -2,-0.4 2,-0.3 -0.917 10.4-171.1-133.4 159.4 10.3 49.3 5.9 38 35 A S E +D 17 0A 37 -21,-1.9 -21,-1.7 -2,-0.3 58,-0.2 -0.979 67.0 38.2-145.0 150.3 14.1 49.5 5.7 39 36 A G S S+ 0 0 39 55,-0.4 2,-0.2 -2,-0.3 57,-0.2 0.615 77.1 139.4 85.5 13.5 16.6 48.1 3.2 40 37 A L - 0 0 8 55,-3.0 2,-0.3 -23,-0.1 -1,-0.3 -0.573 56.9-112.1 -90.8 153.4 14.5 48.7 0.0 41 38 A K - 0 0 168 -2,-0.2 50,-0.3 1,-0.1 52,-0.1 -0.659 50.9 -87.7 -81.8 139.6 15.8 49.9 -3.3 42 39 A A S S+ 0 0 72 -2,-0.3 2,-0.2 51,-0.2 50,-0.2 -0.118 93.2 46.7 -46.1 137.9 14.6 53.4 -4.1 43 40 A G E S-F 91 0A 32 48,-2.3 48,-2.8 -3,-0.1 2,-0.3 -0.729 94.3 -35.8 124.0-173.3 11.2 53.3 -5.9 44 41 A K E -F 90 0A 100 -2,-0.2 2,-0.4 46,-0.2 46,-0.2 -0.635 46.3-167.3 -92.2 147.6 7.8 51.6 -5.7 45 42 A H E -F 89 0A 8 44,-1.9 44,-2.6 -2,-0.3 80,-0.3 -0.994 28.5-107.6-138.1 129.2 7.3 48.0 -4.5 46 43 A G E -F 88 0A 0 78,-2.6 76,-3.3 -2,-0.4 2,-0.4 -0.206 34.4-169.2 -53.6 140.8 4.2 45.9 -4.8 47 44 A F E + G 0 121A 0 40,-2.3 39,-1.3 74,-0.2 2,-0.3 -0.906 20.8 140.7-139.6 106.8 2.4 45.4 -1.5 48 45 A H E -FG 85 120A 0 72,-2.0 72,-2.4 -2,-0.4 2,-0.5 -0.928 49.4-109.5-143.4 166.5 -0.4 42.8 -1.1 49 46 A V E - G 0 119A 0 35,-1.9 17,-2.5 -2,-0.3 70,-0.3 -0.861 34.9-149.6 -98.3 128.4 -1.9 40.2 1.2 50 47 A H E -HG 65 118A 2 68,-3.4 68,-1.5 -2,-0.5 15,-0.3 -0.637 22.1-112.0 -95.4 158.3 -1.4 36.6 -0.1 51 48 A E S S+ 0 0 63 13,-3.1 2,-0.4 -2,-0.2 12,-0.2 0.801 94.0 57.3 -60.0 -36.2 -3.8 33.8 0.6 52 49 A F - 0 0 48 10,-2.8 259,-0.2 12,-0.3 -2,-0.2 -0.818 62.1-151.0-107.1 140.5 -1.6 31.7 2.9 53 50 A G + 0 0 1 257,-2.5 2,-0.6 63,-0.6 256,-0.3 -0.129 63.5 125.1 -91.5 37.1 0.0 32.7 6.2 54 51 A D + 0 0 22 7,-0.3 3,-0.1 256,-0.2 -2,-0.1 -0.884 25.8 160.6-104.9 117.6 2.6 30.1 5.3 55 52 A T > + 0 0 34 -2,-0.6 3,-0.7 6,-0.1 -1,-0.1 -0.003 37.8 117.4-122.1 26.2 6.3 31.2 5.2 56 53 A T T 3 S+ 0 0 60 1,-0.3 2,-0.2 5,-0.1 3,-0.1 0.758 83.5 37.8 -65.9 -27.1 8.0 27.8 5.4 57 54 A N T >> S- 0 0 104 1,-0.4 3,-1.2 -3,-0.1 4,-0.7 -0.586 126.9 -83.8-124.6 68.4 9.6 28.1 2.0 58 55 A G T <4 S- 0 0 50 -3,-0.7 -1,-0.4 -2,-0.2 89,-0.0 -0.490 85.5 -45.7 67.5-136.4 10.5 31.8 1.9 59 56 A a T >4 S+ 0 0 12 86,-0.2 3,-1.3 -2,-0.2 -1,-0.2 0.414 125.0 87.9-107.0 -1.7 7.5 33.8 0.8 60 57 A T G X4 S+ 0 0 96 -3,-1.2 3,-1.7 1,-0.3 -2,-0.2 0.871 79.6 60.1 -63.9 -39.5 6.7 31.4 -2.1 61 58 A S G 3< S+ 0 0 26 -4,-0.7 -7,-0.3 1,-0.3 251,-0.3 0.497 84.8 81.9 -70.0 -1.1 4.6 29.2 0.2 62 59 A A G < S- 0 0 0 -3,-1.3 -10,-2.8 1,-0.2 -1,-0.3 0.670 87.4-154.1 -76.8 -16.4 2.3 32.2 0.8 63 60 A G < - 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