==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-SEP-97 1SXN . COMPND 2 MOLECULE: CU, ZN SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.FERRARONI,W.R.RYPNIEWSKI,B.BRUNI,P.ORIOLI,K.S.WILSON,S.MAN . 302 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 2 0.7 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 . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 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 . 2 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 . 6 2 0 2 4 1 3 0 2 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 2 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 A 0 0 61 0, 0.0 103,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 142.3 14.2 31.7 22.6 2 2 A T + 0 0 95 148,-0.3 20,-2.8 1,-0.3 2,-0.4 0.421 360.0 45.9-118.9 -6.1 12.0 34.6 21.8 3 3 A K E +A 21 0A 44 147,-0.3 147,-2.3 18,-0.2 2,-0.3 -0.997 61.7 172.3-140.0 140.2 10.1 34.5 25.1 4 4 A A E -AB 20 149A 1 16,-2.7 16,-2.6 -2,-0.4 2,-0.3 -0.908 9.1-163.7-140.4 164.7 11.3 34.2 28.7 5 5 A V E -AB 19 148A 1 143,-2.2 143,-2.7 -2,-0.3 2,-0.3 -0.978 3.4-163.1-150.9 156.0 9.8 34.4 32.1 6 6 A C E -A 18 0A 1 12,-1.9 12,-2.7 -2,-0.3 2,-0.6 -0.985 9.6-152.2-145.8 131.5 10.9 34.8 35.7 7 7 A V E -A 17 0A 25 139,-0.5 2,-0.5 -2,-0.3 10,-0.2 -0.936 20.1-148.5-102.5 116.8 9.1 34.1 38.9 8 8 A L E +A 16 0A 0 8,-3.7 8,-1.4 -2,-0.6 2,-0.3 -0.786 27.2 160.3 -91.0 131.9 10.5 36.3 41.7 9 9 A K E +AC 15 144A 102 135,-2.6 135,-2.1 -2,-0.5 2,-0.2 -0.989 4.9 163.1-141.6 152.6 10.4 34.9 45.1 10 10 A G - 0 0 33 4,-0.6 133,-0.2 2,-0.4 132,-0.1 -0.628 54.6 -80.1-143.4-155.4 12.3 35.8 48.3 11 11 A D S S+ 0 0 177 131,-0.4 132,-0.1 -2,-0.2 131,-0.1 0.608 109.9 47.3 -90.8 -15.7 12.2 35.3 52.1 12 12 A G S S- 0 0 48 130,-0.6 -2,-0.4 2,-0.1 130,-0.0 -0.126 110.1 -72.6-105.9-155.5 9.6 38.1 52.5 13 13 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 21,-0.1 0.418 86.8 117.1 -84.7 0.7 6.4 39.1 50.9 14 14 A V + 0 0 8 128,-0.3 -4,-0.6 21,-0.1 2,-0.3 -0.585 36.2 148.4 -77.8 128.5 7.9 40.3 47.7 15 15 A Q E +AD 9 34A 107 19,-2.1 19,-3.2 -2,-0.3 2,-0.3 -0.985 8.4 142.9-152.6 160.9 6.8 38.4 44.7 16 16 A G E -AD 8 33A 13 -8,-1.4 -8,-3.7 -2,-0.3 2,-0.4 -0.961 37.4-114.6-177.7 173.6 6.1 38.9 41.0 17 17 A T E -AD 7 32A 46 15,-1.4 15,-1.4 -2,-0.3 2,-0.4 -0.994 23.7-166.3-127.4 128.1 6.3 37.5 37.5 18 18 A I E -AD 6 31A 0 -12,-2.7 -12,-1.9 -2,-0.4 2,-0.3 -0.965 3.7-161.9-115.3 131.2 8.4 39.1 34.8 19 19 A H E -AD 5 30A 85 11,-2.9 11,-2.8 -2,-0.4 2,-0.4 -0.849 1.4-163.1-112.5 146.2 8.0 38.3 31.1 20 20 A F E -AD 4 29A 2 -16,-2.6 -16,-2.7 -2,-0.3 2,-0.4 -0.995 7.8-177.9-128.0 135.7 10.6 39.0 28.4 21 21 A E E -AD 3 28A 108 7,-2.1 7,-2.5 -2,-0.4 2,-0.7 -0.997 26.6-134.8-137.2 131.8 9.9 39.0 24.7 22 22 A A E + D 0 27A 37 -20,-2.8 2,-0.5 -2,-0.4 5,-0.3 -0.763 32.4 175.5 -79.2 116.5 12.2 39.6 21.8 23 23 A K E > - D 0 26A 48 3,-1.9 3,-1.9 -2,-0.7 2,-0.3 -0.974 61.9 -36.5-127.5 109.8 10.2 42.1 19.6 24 24 A G T 3 S- 0 0 75 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.572 122.4 -31.6 76.9-134.1 12.2 43.2 16.6 25 25 A D T 3 S+ 0 0 181 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.231 127.4 75.0-102.0 12.3 15.8 43.6 17.6 26 26 A T E < S-D 23 0A 41 -3,-1.9 -3,-1.9 77,-0.0 2,-0.4 -0.621 74.4-123.7-118.7 177.3 14.9 44.6 21.1 27 27 A V E -DE 22 99A 5 72,-1.0 72,-2.1 -5,-0.3 2,-0.5 -0.983 17.9-154.7-123.4 125.6 13.7 42.9 24.3 28 28 A V E -DE 21 98A 35 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.5 -0.933 6.9-159.7-103.6 125.7 10.5 44.1 26.1 29 29 A V E +DE 20 97A 0 68,-3.4 68,-2.7 -2,-0.5 2,-0.3 -0.956 20.6 162.1-112.4 122.5 10.3 43.4 29.8 30 30 A T E +DE 19 96A 49 -11,-2.8 -11,-2.9 -2,-0.5 2,-0.3 -0.892 15.4 93.7-133.5 168.3 6.8 43.4 31.4 31 31 A G E -DE 18 95A 20 64,-1.2 64,-3.3 -2,-0.3 2,-0.3 -0.942 54.8-100.3 145.6-168.6 5.2 42.1 34.5 32 32 A S E -DE 17 94A 46 -15,-1.4 -15,-1.4 -2,-0.3 2,-0.4 -0.983 16.6-154.7-156.7 151.3 4.4 43.3 38.0 33 33 A I E -DE 16 93A 0 60,-2.3 60,-3.1 -2,-0.3 2,-0.3 -0.998 15.1-169.6-131.7 135.3 5.9 42.9 41.4 34 34 A T E +D 15 0A 52 -19,-3.2 -19,-2.1 -2,-0.4 58,-0.2 -0.788 58.5 51.3-124.9 165.8 3.9 43.1 44.7 35 35 A G S S+ 0 0 35 55,-0.4 2,-0.2 -2,-0.3 57,-0.2 0.639 77.3 137.2 87.6 8.6 4.7 43.3 48.4 36 36 A L - 0 0 9 55,-2.2 -1,-0.3 -3,-0.2 2,-0.2 -0.609 59.9-110.3 -93.3 156.7 7.2 46.2 47.9 37 37 A T - 0 0 98 -2,-0.2 50,-0.4 82,-0.1 53,-0.1 -0.493 54.1 -86.7 -75.9 153.5 7.6 49.3 50.0 38 38 A E S S+ 0 0 136 51,-0.2 50,-0.2 -2,-0.2 2,-0.2 -0.239 92.7 34.5 -53.4 150.5 6.4 52.4 48.1 39 39 A G E S-F 87 0A 26 48,-2.8 48,-3.1 -3,-0.1 2,-0.2 -0.512 97.8 -17.5 105.0-175.1 9.0 54.0 45.9 40 40 A D E -F 86 0A 64 46,-0.3 2,-0.4 -2,-0.2 46,-0.2 -0.459 47.5-174.3 -82.3 146.3 11.9 53.0 43.8 41 41 A H E -F 85 0A 2 44,-2.2 44,-2.2 -2,-0.2 78,-0.1 -0.990 31.4-111.6-140.1 126.7 13.7 49.6 43.9 42 42 A G E -F 84 0A 0 78,-2.4 76,-2.7 -2,-0.4 2,-0.4 -0.249 32.3-166.2 -56.9 144.7 16.8 48.6 42.0 43 43 A F E + G 0 117A 0 40,-2.5 39,-1.3 74,-0.2 2,-0.3 -0.963 18.9 157.6-140.1 108.8 16.0 45.9 39.3 44 44 A H E -FG 81 116A 0 72,-2.0 72,-2.8 -2,-0.4 2,-0.6 -0.945 44.7-120.2-137.8 161.3 18.9 44.1 37.7 45 45 A V E - G 0 115A 0 35,-1.7 17,-2.9 -2,-0.3 70,-0.2 -0.872 35.6-153.8 -98.3 122.5 19.9 41.0 35.9 46 46 A H E -HG 61 114A 1 68,-3.5 68,-1.3 -2,-0.6 15,-0.2 -0.655 21.3-113.6 -96.2 154.1 22.6 39.2 38.0 47 47 A Q S S+ 0 0 61 13,-2.6 2,-0.3 -2,-0.2 12,-0.2 0.800 89.5 51.6 -58.2 -45.2 25.2 37.0 36.4 48 48 A F - 0 0 15 10,-2.7 2,-0.5 12,-0.2 254,-0.2 -0.732 60.5-148.0-104.8 144.0 24.3 33.5 37.8 49 49 A G + 0 0 2 252,-2.2 2,-0.7 63,-0.4 251,-0.4 -0.264 59.0 132.7 -97.6 50.0 21.0 31.7 37.8 50 50 A D + 0 0 25 -2,-0.5 3,-0.3 7,-0.3 9,-0.1 -0.907 25.0 167.3-106.6 103.0 22.2 30.1 41.1 51 51 A N > + 0 0 54 -2,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.124 43.7 112.6-101.6 20.5 19.5 30.2 43.7 52 52 A T T 3 S+ 0 0 55 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.846 88.5 32.1 -67.2 -28.1 21.4 27.7 46.0 53 53 A Q T > S- 0 0 96 1,-0.6 3,-1.2 -3,-0.3 -1,-0.3 -0.316 122.5-102.2-117.4 46.7 22.0 30.4 48.7 54 54 A G G X S- 0 0 34 -3,-1.4 -1,-0.6 1,-0.2 3,-0.5 -0.370 82.8 -28.2 69.7-144.8 18.8 32.4 48.0 55 55 A a G > S+ 0 0 13 86,-0.2 3,-1.9 1,-0.2 -1,-0.2 0.689 128.6 80.1 -81.2 -9.1 19.4 35.5 45.9 56 56 A T G X S+ 0 0 104 -3,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.895 84.8 56.9 -65.0 -35.5 23.0 35.8 47.2 57 57 A S G < S+ 0 0 17 -3,-0.5 -1,-0.3 -4,-0.3 -7,-0.3 0.467 80.3 90.7 -78.8 5.2 24.4 33.2 45.0 58 58 A A G < S- 0 0 0 -3,-1.9 -10,-2.7 1,-0.2 -1,-0.3 0.644 84.0-149.9 -71.9 -14.9 23.2 35.2 41.9 59 59 A G < - 0 0 15 -3,-1.2 -1,-0.2 -4,-0.2 3,-0.1 -0.410 34.7 -33.5 79.9-168.1 26.6 37.0 41.9 60 60 A P S S- 0 0 68 0, 0.0 -13,-2.6 0, 0.0 -12,-0.2 -0.043 87.6 -57.2 -76.9-176.1 27.1 40.5 40.7 61 61 A H B -H 46 0A 7 73,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.389 64.5 -98.7 -64.4 146.6 25.3 42.4 37.9 62 62 A F + 0 0 8 -17,-2.9 18,-2.4 16,-0.1 19,-0.2 -0.510 57.4 165.3 -67.8 124.8 25.6 40.6 34.5 63 63 A N > + 0 0 43 -2,-0.4 3,-1.6 15,-0.2 -1,-0.1 -0.439 15.7 160.5-146.4 67.1 28.5 42.6 33.0 64 64 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.765 81.2 51.3 -63.5 -26.7 30.0 41.0 29.9 65 65 A L T 3 S- 0 0 73 12,-0.1 13,-0.0 2,-0.0 -2,-0.0 0.309 106.6-126.6 -94.2 8.8 31.6 44.3 28.7 66 66 A S < + 0 0 101 -3,-1.6 2,-0.2 1,-0.1 12,-0.1 0.888 55.2 147.3 49.8 53.0 33.2 45.0 32.1 67 67 A K - 0 0 46 10,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.476 50.0 -96.6-104.9-177.3 31.9 48.4 32.6 68 68 A K - 0 0 128 -2,-0.2 66,-0.2 1,-0.1 -1,-0.1 -0.515 53.4 -79.6 -93.2 167.1 30.9 50.2 35.8 69 69 A H + 0 0 7 64,-2.5 2,-0.2 8,-0.2 -1,-0.1 -0.378 61.9 151.8 -65.5 142.1 27.3 50.4 37.1 70 70 A G - 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