==== 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 03-APR-08 3CQQ . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.CAO,S.ANTONYUK,L.J.WHITSON,A.B.TAYLOR,S.P.HOLLOWAY,R.W.STR . 262 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 2 0.8 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 . 22 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.3 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 . 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 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 . 5 2 0 2 4 1 5 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 1 1 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 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 2 A T 0 0 100 0, 0.0 20,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 134.3 28.6 19.2 37.4 2 3 A K E +A 20 0A 82 134,-0.4 134,-2.3 18,-0.2 2,-0.3 -0.976 360.0 179.6-136.4 146.2 25.8 19.5 34.9 3 4 A A E -AB 19 135A 2 16,-2.1 16,-2.5 -2,-0.4 2,-0.3 -0.913 6.5-162.3-140.1 168.3 22.1 19.6 35.1 4 5 A V E -AB 18 134A 3 130,-2.4 130,-3.3 -2,-0.3 2,-0.3 -0.976 1.9-164.3-151.7 156.4 19.0 19.9 32.8 5 6 A C E -A 17 0A 1 12,-1.6 12,-2.4 -2,-0.3 2,-0.6 -0.965 10.1-152.7-146.8 129.1 15.4 20.7 33.1 6 7 A V E -A 16 0A 28 126,-0.4 2,-0.5 -2,-0.3 10,-0.2 -0.916 19.4-149.8-102.0 118.2 12.5 20.1 30.6 7 8 A L E +A 15 0A 1 8,-2.7 8,-1.7 -2,-0.6 2,-0.3 -0.783 23.8 167.5 -90.4 126.9 9.8 22.8 31.1 8 9 A K E +AC 14 130A 129 122,-2.1 122,-2.2 -2,-0.5 2,-0.3 -0.975 1.4 162.1-132.1 151.5 6.3 21.7 30.3 9 10 A G - 0 0 26 4,-0.7 120,-0.2 2,-0.3 119,-0.1 -0.973 51.9 -77.1-159.0 179.8 2.9 23.2 31.1 10 11 A D S S+ 0 0 184 -2,-0.3 119,-0.1 118,-0.2 118,-0.1 0.471 107.6 27.1 -63.4 -12.0 -0.8 23.2 30.2 11 12 A G S S- 0 0 53 117,-0.4 -2,-0.3 2,-0.2 25,-0.0 -0.206 116.3 -51.0-125.8-142.7 -0.5 25.3 26.9 12 13 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.538 91.8 116.9 -80.6 -3.2 2.2 25.9 24.3 13 14 A V + 0 0 12 23,-0.3 -4,-0.7 115,-0.2 2,-0.3 -0.486 34.1 140.4 -71.1 125.3 4.9 26.8 26.7 14 15 A Q E +AD 8 35A 126 21,-1.7 21,-3.2 -2,-0.3 2,-0.3 -0.981 14.0 155.4-156.5 155.6 7.9 24.5 26.7 15 16 A G E -AD 7 34A 9 -8,-1.7 -8,-2.7 -2,-0.3 2,-0.4 -0.985 33.0-127.2-169.1 168.0 11.6 24.6 26.9 16 17 A I E -AD 6 33A 66 17,-1.8 17,-1.6 -2,-0.3 2,-0.4 -0.997 24.9-170.1-126.3 129.1 14.9 22.9 27.8 17 18 A I E -AD 5 32A 0 -12,-2.4 -12,-1.6 -2,-0.4 2,-0.3 -0.976 5.3-155.9-125.2 129.9 17.3 24.6 30.2 18 19 A N E -AD 4 31A 45 13,-3.9 13,-2.3 -2,-0.4 2,-0.4 -0.754 4.0-162.9-104.1 152.0 20.9 23.5 30.8 19 20 A F E +AD 3 30A 1 -16,-2.5 -16,-2.1 -2,-0.3 2,-0.3 -0.991 9.0 176.1-131.5 138.4 23.1 24.1 33.9 20 21 A E E -AD 2 29A 48 9,-2.0 9,-3.2 -2,-0.4 2,-0.4 -0.980 7.9-177.8-142.9 137.7 26.8 23.8 34.3 21 22 A Q - 0 0 4 -20,-2.5 7,-0.1 -2,-0.3 3,-0.1 -0.931 6.7-170.8-133.4 112.8 29.1 24.6 37.2 22 23 A K S S+ 0 0 162 5,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.804 77.5 24.0 -72.3 -34.6 32.9 24.1 36.8 23 24 A E S > S- 0 0 144 4,-0.3 3,-2.7 1,-0.1 -1,-0.2 -0.995 78.8-121.4-134.7 145.1 33.8 24.6 40.5 24 25 A S T 3 S+ 0 0 68 -2,-0.3 78,-0.2 1,-0.3 77,-0.1 0.793 116.4 39.8 -56.3 -31.6 31.7 24.2 43.6 25 26 A N T 3 S+ 0 0 158 75,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.239 103.7 93.7-101.9 14.8 32.2 27.8 44.6 26 27 A G S < S- 0 0 14 -3,-2.7 70,-0.0 1,-0.2 2,-0.0 -0.473 84.1 -80.5-102.4 173.1 31.9 29.2 41.1 27 28 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 -5,-0.4 -0.291 38.4-123.1 -70.4 157.6 28.9 30.5 39.1 28 29 A V E - E 0 96A 0 68,-3.0 68,-2.7 71,-0.2 2,-0.5 -0.917 18.0-140.0-100.6 122.1 26.4 28.3 37.4 29 30 A K E -DE 20 95A 84 -9,-3.2 -9,-2.0 -2,-0.5 2,-0.5 -0.760 19.5-166.7 -80.0 127.4 26.0 28.9 33.7 30 31 A V E +DE 19 94A 1 64,-3.7 64,-3.5 -2,-0.5 2,-0.3 -0.981 18.5 154.4-120.3 120.5 22.3 28.6 32.7 31 32 A W E +DE 18 93A 104 -13,-2.3 -13,-3.9 -2,-0.5 2,-0.3 -0.999 13.2 84.6-149.4 152.3 21.3 28.3 29.1 32 33 A G E -DE 17 92A 15 60,-1.8 60,-3.2 -2,-0.3 2,-0.3 -0.977 59.0 -85.8 153.5-156.1 18.6 27.0 26.7 33 34 A S E -DE 16 91A 47 -17,-1.6 -17,-1.8 -2,-0.3 2,-0.4 -0.987 16.7-153.0-150.7 154.4 15.4 28.3 25.3 34 35 A I E -DE 15 90A 0 56,-2.1 56,-3.3 -2,-0.3 -19,-0.3 -0.999 17.4-168.0-129.0 130.1 11.7 28.5 26.1 35 36 A K E +D 14 0A 116 -21,-3.2 -21,-1.7 -2,-0.4 54,-0.2 -0.674 58.9 49.1-113.3 167.9 8.9 28.7 23.4 36 37 A G S S+ 0 0 32 51,-0.4 -23,-0.3 1,-0.2 2,-0.2 0.598 78.1 135.7 81.2 17.3 5.2 29.5 23.5 37 38 A L - 0 0 11 51,-2.2 -1,-0.2 -3,-0.2 2,-0.2 -0.539 60.9-105.7 -96.7 155.1 5.5 32.7 25.5 38 39 A T - 0 0 100 -2,-0.2 46,-0.3 78,-0.1 49,-0.1 -0.554 54.2 -89.5 -68.7 145.5 4.0 36.1 25.2 39 40 A E S S+ 0 0 124 -2,-0.2 2,-0.2 47,-0.2 46,-0.2 -0.317 92.4 26.2 -56.2 134.8 6.4 38.7 23.9 40 41 A G E S+F 84 0A 24 44,-2.4 44,-2.8 -3,-0.1 2,-0.2 -0.694 99.7 0.6 114.5-155.8 8.4 40.5 26.7 41 42 A L E -F 83 0A 89 -2,-0.2 2,-0.4 42,-0.2 42,-0.2 -0.451 49.2-179.2 -82.6 137.3 9.4 39.7 30.3 42 43 A H E -F 82 0A 0 40,-2.4 40,-2.8 -2,-0.2 76,-0.3 -0.986 30.9-115.9-134.5 123.1 8.7 36.5 32.2 43 44 A G E -F 81 0A 0 74,-2.7 72,-2.8 -2,-0.4 2,-0.4 -0.239 29.1-164.9 -51.0 141.0 9.7 35.6 35.8 44 45 A F E + G 0 114A 0 36,-2.4 35,-1.5 70,-0.2 2,-0.3 -0.970 20.2 157.9-143.1 111.2 12.2 32.7 35.9 45 46 A H E -FG 78 113A 0 68,-2.4 68,-2.9 -2,-0.4 2,-0.5 -0.980 43.2-126.5-143.2 146.8 12.7 31.1 39.3 46 47 A V E - G 0 112A 0 31,-2.3 17,-3.0 -2,-0.3 2,-0.3 -0.848 33.7-154.1 -88.0 130.1 13.8 28.0 41.1 47 48 A H E -HG 62 111A 1 64,-3.3 64,-1.9 -2,-0.5 15,-0.2 -0.756 22.3-110.1-105.4 160.2 11.0 26.8 43.5 48 49 A E S S+ 0 0 61 13,-2.4 2,-0.4 -2,-0.3 12,-0.2 0.836 90.4 52.8 -64.8 -44.1 11.7 24.8 46.6 49 50 A F - 0 0 48 10,-2.5 2,-1.0 12,-0.2 217,-0.2 -0.789 61.0-147.2-108.5 138.3 10.2 21.4 45.8 50 51 A G + 0 0 2 215,-1.8 2,-0.6 59,-0.6 214,-0.4 -0.342 60.7 130.4 -87.2 50.0 10.8 19.0 42.8 51 52 A D + 0 0 32 -2,-1.0 3,-0.3 7,-0.2 7,-0.2 -0.919 24.9 165.2-113.4 108.5 7.2 17.9 43.2 52 53 A N > + 0 0 35 -2,-0.6 3,-1.7 1,-0.2 -1,-0.1 0.077 39.5 117.0-114.1 25.7 5.2 18.0 40.0 53 54 A T T 3 S+ 0 0 61 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.829 90.9 30.5 -62.2 -31.6 2.3 15.9 41.2 54 55 A A T > S- 0 0 55 1,-0.6 3,-1.4 -3,-0.3 -1,-0.3 -0.231 118.9-112.5-116.1 41.9 -0.0 18.9 40.7 55 56 A G G X S- 0 0 38 -3,-1.7 3,-0.6 1,-0.2 -1,-0.6 -0.436 83.0 -21.3 60.8-132.3 2.0 20.3 37.8 56 57 A a G > S+ 0 0 11 1,-0.2 3,-1.4 71,-0.2 -1,-0.2 0.659 127.9 78.4 -83.0 -17.1 3.6 23.6 38.8 57 58 A T G < S+ 0 0 121 -3,-1.4 3,-0.5 1,-0.3 -1,-0.2 0.787 93.0 50.2 -60.9 -31.8 1.1 24.2 41.6 58 59 A S G < S+ 0 0 26 -3,-0.6 -1,-0.3 1,-0.2 -7,-0.2 0.376 80.1 96.0 -91.1 1.8 2.9 21.7 43.9 59 60 A A S < S- 0 0 0 -3,-1.4 -10,-2.5 1,-0.2 52,-0.2 0.574 80.6-142.0 -71.4 -7.6 6.4 23.2 43.4 60 61 A G - 0 0 19 -3,-0.5 -1,-0.2 -12,-0.2 3,-0.1 -0.282 39.5 -34.7 74.3-166.2 6.1 25.3 46.7 61 62 A P S S- 0 0 70 0, 0.0 -13,-2.4 0, 0.0 -12,-0.2 -0.112 86.0 -60.1 -80.0 176.9 7.5 28.9 47.0 62 63 A H B S-H 47 0A 39 -15,-0.2 2,-0.3 1,-0.1 -15,-0.3 -0.363 71.4 -92.9 -54.5 139.2 10.6 30.5 45.5 63 64 A F + 0 0 5 -17,-3.0 14,-2.6 48,-0.2 15,-0.2 -0.450 61.6 160.5 -66.1 119.5 13.6 28.5 46.7 64 65 A N > + 0 0 45 -2,-0.3 3,-1.7 11,-0.2 -1,-0.1 -0.454 12.9 157.9-146.4 61.0 14.7 30.4 49.8 65 66 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.786 82.8 50.8 -65.7 -26.8 17.0 28.4 52.3 66 67 A L T 3 S- 0 0 78 2,-0.0 39,-0.0 39,-0.0 9,-0.0 0.361 109.0-124.5 -91.6 5.9 18.4 31.6 53.8 67 68 A S < + 0 0 99 -3,-1.7 2,-0.2 1,-0.2 8,-0.1 0.895 53.9 157.3 54.5 49.4 14.9 33.1 54.4 68 69 A R - 0 0 143 6,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.537 45.0 -98.9 -96.2 164.9 15.5 36.4 52.5 69 70 A K - 0 0 187 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.333 54.0 -82.0 -72.2 165.9 13.1 38.8 50.8 70 71 A H + 0 0 57 4,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.475 68.9 124.6 -76.3 140.7 12.5 38.6 47.1 71 72 A G 0 0 14 -2,-0.2 9,-0.2 4,-0.1 50,-0.2 -0.487 360.0 360.0-155.8-133.0 15.0 40.3 44.7 72 73 A G 0 0 36 -2,-0.2 7,-0.1 49,-0.1 4,-0.1 -0.159 360.0 360.0 151.0 360.0 17.1 39.3 41.7 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 79 A R 0 0 77 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0 157.5 17.2 37.9 47.2 75 80 A H > - 0 0 28 1,-0.1 3,-2.0 -8,-0.1 -11,-0.2 -0.621 360.0-118.0 -74.3 146.3 15.9 34.3 47.3 76 81 A V T 3 S+ 0 0 5 1,-0.3 -12,-0.2 -2,-0.3 23,-0.1 0.913 115.0 53.1 -48.0 -44.9 18.4 31.8 46.1 77 82 A G T 3 S+ 0 0 0 -14,-2.6 -31,-2.3 -31,-0.2 2,-1.2 0.384 75.6 116.6 -78.8 3.4 16.0 30.8 43.3 78 83 A D E < +F 45 0A 0 -3,-2.0 -33,-0.2 -15,-0.2 3,-0.1 -0.624 27.6 163.6 -75.9 94.8 15.4 34.4 42.0 79 84 A L E - 0 0 5 -35,-1.5 -1,-0.2 -2,-1.2 -34,-0.1 0.021 39.5-140.1-101.4 25.6 16.8 34.2 38.4 80 85 A R E - 0 0 126 -9,-0.2 -36,-2.4 -37,-0.0 2,-0.3 -0.337 46.0 -25.1 59.6-121.6 15.0 37.4 37.5 81 86 A N E -F 43 0A 33 -38,-0.2 2,-0.3 -2,-0.1 -38,-0.2 -0.928 39.9-150.7-133.4 145.0 13.4 37.5 34.1 82 87 A V E -F 42 0A 7 -40,-2.8 -40,-2.4 -2,-0.3 2,-0.5 -0.862 23.0-134.9-109.2 152.7 13.7 36.0 30.6 83 88 A T E -F 41 0A 84 8,-0.4 8,-0.6 -2,-0.3 2,-0.4 -0.939 11.1-153.9-115.1 122.0 12.7 37.9 27.5 84 89 A A E -FI 40 90A 2 -44,-2.8 -44,-2.4 -2,-0.5 6,-0.3 -0.748 15.1-135.8 -89.8 134.1 10.6 36.4 24.8 85 90 A D > - 0 0 75 4,-2.8 3,-2.3 -2,-0.4 -1,-0.1 -0.078 42.1 -77.4 -72.0-175.2 10.8 37.8 21.2 86 91 A K T 3 S+ 0 0 172 1,-0.3 -47,-0.2 2,-0.1 -1,-0.1 0.623 133.1 52.7 -60.4 -20.8 7.9 38.5 18.8 87 92 A D T 3 S- 0 0 143 2,-0.2 -51,-0.4 -49,-0.1 -1,-0.3 0.288 121.7-105.9 -96.4 5.9 7.6 34.7 18.0 88 93 A G S < S+ 0 0 5 -3,-2.3 -51,-2.2 1,-0.2 2,-0.5 0.696 76.1 137.0 79.0 19.3 7.3 33.9 21.8 89 94 A V - 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