==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-APR-09 3H2Q . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.V.SEETHARAMAN,D.D.WINKLER,A.B.TAYLOR,X.CAO,L.J.WHITSON, . 521 12 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 39.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 47 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 1 4 8 2 10 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 3 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 85 0, 0.0 22,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 121.4 -9.6 -17.1 14.6 2 2 A T E -A 22 0A 60 20,-2.0 20,-2.6 134,-0.0 2,-0.4 -0.514 360.0-167.1 -79.3 144.6 -7.8 -14.0 15.8 3 3 A K E +A 21 0A 79 134,-0.4 134,-2.3 18,-0.2 2,-0.3 -0.982 7.5 178.5-132.3 142.2 -9.4 -10.7 15.1 4 4 A A E -AB 20 136A 1 16,-2.2 16,-2.7 -2,-0.4 2,-0.3 -0.926 7.4-161.6-138.7 164.5 -7.9 -7.2 15.3 5 5 A V E -AB 19 135A 3 130,-2.5 130,-3.1 -2,-0.3 2,-0.4 -0.987 2.0-163.3-148.6 153.7 -9.0 -3.7 14.6 6 6 A C E -A 18 0A 1 12,-1.8 12,-2.2 -2,-0.3 2,-0.6 -0.987 8.8-154.7-143.2 128.2 -7.5 -0.3 14.1 7 7 A V E -A 17 0A 46 126,-0.5 2,-0.4 -2,-0.4 10,-0.2 -0.925 20.0-150.1-103.5 118.2 -8.9 3.2 14.2 8 8 A L E +A 16 0A 1 8,-2.4 8,-1.5 -2,-0.6 2,-0.3 -0.734 28.7 150.9 -90.4 129.9 -6.9 5.6 12.1 9 9 A K B +C 131 0A 143 122,-2.1 122,-2.4 -2,-0.4 2,-0.2 -0.971 9.6 158.6-147.1 159.2 -6.8 9.3 13.0 10 10 A G - 0 0 15 2,-0.4 120,-0.2 4,-0.4 119,-0.1 -0.830 55.8 -58.9-160.1-159.0 -4.2 12.0 12.5 11 11 A D S S+ 0 0 119 117,-0.3 119,-0.1 118,-0.2 118,-0.1 0.656 114.4 28.6 -74.6 -16.3 -3.4 15.7 12.4 12 12 A G S S- 0 0 45 117,-0.7 -2,-0.4 2,-0.1 25,-0.0 -0.099 111.5 -59.6-118.8-144.2 -5.8 16.3 9.5 13 13 A P S S+ 0 0 85 0, 0.0 2,-0.4 0, 0.0 23,-0.1 0.466 85.4 119.3 -86.7 -6.3 -9.1 14.9 8.1 14 14 A V + 0 0 6 115,-0.3 -4,-0.4 23,-0.2 2,-0.3 -0.506 34.2 152.1 -73.5 122.5 -7.9 11.4 7.4 15 15 A Q E + D 0 36A 88 21,-1.8 21,-3.2 -2,-0.4 2,-0.3 -0.985 6.4 142.7-145.6 152.8 -9.9 8.8 9.4 16 16 A G E -AD 8 35A 12 -8,-1.5 -8,-2.4 -2,-0.3 2,-0.4 -0.988 38.2-121.4-175.9 170.7 -10.8 5.2 9.0 17 17 A I E -AD 7 34A 67 17,-1.7 17,-1.7 -2,-0.3 2,-0.4 -0.999 24.3-172.8-132.3 127.9 -11.4 1.7 10.5 18 18 A I E -AD 6 33A 0 -12,-2.2 -12,-1.8 -2,-0.4 2,-0.3 -0.990 7.4-156.4-126.8 128.3 -9.5 -1.3 9.3 19 19 A N E -AD 5 32A 46 13,-3.6 13,-2.2 -2,-0.4 2,-0.4 -0.743 2.8-159.8-104.5 152.2 -10.2 -4.8 10.4 20 20 A F E +AD 4 31A 2 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.3 -0.991 8.9 179.5-130.5 141.0 -7.9 -7.8 10.6 21 21 A E E +AD 3 30A 48 9,-2.2 9,-2.9 -2,-0.4 2,-0.4 -0.987 8.1 179.0-143.2 135.6 -8.8 -11.5 10.6 22 22 A Q E -A 2 0A 5 -20,-2.6 -20,-2.0 -2,-0.3 7,-0.1 -0.919 9.2-168.1-137.8 107.4 -6.6 -14.6 10.7 23 23 A K S S+ 0 0 119 5,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.860 78.0 21.5 -64.8 -41.2 -8.3 -18.0 10.9 24 24 A E S > S- 0 0 110 4,-0.3 3,-2.6 -23,-0.1 -1,-0.1 -0.967 80.0-116.7-131.7 152.3 -5.1 -19.9 11.7 25 25 A S T 3 S+ 0 0 87 -2,-0.3 71,-0.2 1,-0.3 70,-0.1 0.726 119.4 37.7 -59.1 -26.6 -1.8 -18.9 13.2 26 26 A N T 3 S+ 0 0 147 68,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.184 102.0 97.8-109.4 16.6 -0.0 -19.8 9.9 27 27 A G S < S- 0 0 10 -3,-2.6 0, 0.0 1,-0.2 0, 0.0 -0.509 82.7 -84.3 -96.6 169.6 -2.7 -18.6 7.6 28 28 A P - 0 0 52 0, 0.0 2,-0.6 0, 0.0 -5,-0.4 -0.225 38.8-121.9 -68.5 161.9 -3.0 -15.3 5.7 29 29 A V E - E 0 90A 0 61,-3.1 61,-2.2 64,-0.2 2,-0.4 -0.937 17.0-144.2-107.5 123.1 -4.4 -12.2 7.4 30 30 A K E -DE 21 89A 86 -9,-2.9 -9,-2.2 -2,-0.6 2,-0.4 -0.730 16.6-167.4 -83.1 136.7 -7.4 -10.6 5.8 31 31 A V E +DE 20 88A 0 57,-2.9 57,-3.0 -2,-0.4 2,-0.3 -0.995 18.0 154.3-127.1 123.9 -7.3 -6.8 6.0 32 32 A W E +DE 19 87A 101 -13,-2.2 -13,-3.6 -2,-0.4 2,-0.3 -0.999 12.1 85.2-154.7 150.0 -10.4 -4.8 5.2 33 33 A G E -DE 18 86A 19 53,-1.8 53,-3.0 -2,-0.3 2,-0.3 -0.986 58.6 -81.2 160.4-151.6 -12.3 -1.5 5.9 34 34 A S E -DE 17 85A 51 -17,-1.7 -17,-1.7 -2,-0.3 2,-0.4 -0.999 19.4-157.4-149.6 151.3 -12.3 2.1 4.6 35 35 A I E -DE 16 84A 1 49,-2.4 49,-3.1 -2,-0.3 2,-0.3 -0.983 15.6-169.8-125.6 137.7 -10.4 5.3 5.0 36 36 A K E +D 15 0A 117 -21,-3.2 -21,-1.8 -2,-0.4 47,-0.2 -0.795 57.5 54.5-122.6 167.7 -11.8 8.8 4.2 37 37 A G S S+ 0 0 35 44,-0.4 2,-0.2 1,-0.3 -23,-0.2 0.620 77.6 133.8 88.0 15.3 -10.3 12.3 3.9 38 38 A L - 0 0 11 44,-2.2 -1,-0.3 -3,-0.2 2,-0.3 -0.625 62.3-109.3 -99.2 152.7 -7.7 11.3 1.3 39 39 A T - 0 0 101 -2,-0.2 39,-0.4 71,-0.2 42,-0.1 -0.609 54.1 -91.6 -69.3 139.0 -6.6 12.9 -1.9 40 40 A E S S+ 0 0 112 -2,-0.3 2,-0.2 40,-0.1 39,-0.2 -0.228 92.0 39.2 -51.5 139.3 -7.7 10.7 -4.9 41 41 A G E S-F 78 0A 26 37,-2.2 37,-2.6 -3,-0.1 2,-0.2 -0.694 97.0 -15.1 115.5-167.5 -5.0 8.2 -5.8 42 42 A L E -F 77 0A 86 -2,-0.2 2,-0.4 35,-0.2 35,-0.2 -0.486 47.6-176.2 -84.5 141.3 -2.5 5.9 -4.1 43 43 A H E -F 76 0A 1 33,-2.3 33,-2.8 -2,-0.2 69,-0.3 -0.999 32.2-110.2-136.1 129.4 -1.3 6.2 -0.5 44 44 A G E -F 75 0A 0 67,-2.6 65,-2.7 -2,-0.4 2,-0.5 -0.282 29.8-160.4 -57.8 143.1 1.4 4.1 1.1 45 45 A F E + G 0 108A 0 29,-2.3 28,-2.0 63,-0.2 2,-0.3 -0.947 22.5 157.9-136.3 105.9 -0.1 1.6 3.7 46 46 A H E -FG 72 107A 7 61,-2.0 61,-3.0 -2,-0.5 2,-0.5 -0.955 41.9-129.9-134.2 148.6 2.4 0.3 6.3 47 47 A V E - G 0 106A 0 24,-2.7 17,-2.9 -2,-0.3 2,-0.3 -0.871 32.7-154.3 -89.8 128.5 2.6 -1.3 9.7 48 48 A H E -HG 63 105A 6 57,-3.6 57,-2.0 -2,-0.5 15,-0.3 -0.721 21.1-110.5-103.9 160.6 5.1 0.6 11.7 49 49 A E S S+ 0 0 64 13,-3.1 2,-0.4 -2,-0.3 12,-0.2 0.818 88.2 53.9 -64.9 -42.8 7.0 -0.9 14.6 50 50 A F - 0 0 15 10,-2.9 2,-1.4 12,-0.2 223,-0.2 -0.809 60.2-146.9-109.8 134.5 5.7 0.8 17.8 51 51 A G + 0 0 3 221,-1.7 2,-0.6 52,-0.6 220,-0.3 -0.330 59.6 134.2 -81.5 53.3 2.2 1.2 19.1 52 52 A D + 0 0 29 -2,-1.4 3,-0.3 7,-0.2 9,-0.1 -0.916 28.2 169.9-117.8 108.9 3.4 4.5 20.5 53 53 A N > + 0 0 44 -2,-0.6 3,-0.7 1,-0.2 -1,-0.1 -0.000 45.3 113.2-105.9 24.1 1.0 7.5 20.0 54 54 A T T 3 S+ 0 0 30 1,-0.3 2,-0.2 5,-0.1 -1,-0.2 0.783 89.6 30.0 -69.0 -24.8 2.9 9.9 22.3 55 55 A A T >> S- 0 0 8 1,-0.5 3,-1.8 -3,-0.3 4,-1.2 -0.608 115.6-100.0-133.0 73.7 3.9 12.0 19.3 56 56 A G T <4 S- 0 0 21 -3,-0.7 -1,-0.5 1,-0.3 3,-0.2 -0.164 87.6 -28.6 45.0-133.0 1.1 11.7 16.8 57 57 A a T >4 S+ 0 0 8 71,-0.2 3,-0.5 1,-0.2 -1,-0.3 0.470 129.3 77.1 -88.5 -4.3 2.1 9.2 14.1 58 58 A T G X4 S+ 0 0 11 -3,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.893 82.8 60.9 -77.1 -38.1 5.8 9.9 14.4 59 59 A S G 3< S+ 0 0 22 -4,-1.2 -1,-0.2 1,-0.3 -7,-0.2 0.577 81.7 85.5 -69.0 -6.2 6.5 7.9 17.6 60 60 A A G < S- 0 0 1 -3,-0.5 -10,-2.9 -5,-0.2 -1,-0.3 0.672 86.6-158.5 -62.1 -18.3 5.3 4.8 15.7 61 61 A G < - 0 0 10 -3,-2.0 -1,-0.2 -12,-0.2 3,-0.1 -0.263 35.1 -6.7 71.4-154.2 8.9 4.6 14.6 62 62 A P S S- 0 0 60 0, 0.0 -13,-3.1 0, 0.0 -12,-0.2 -0.136 84.8 -74.8 -76.7 163.5 10.1 2.8 11.5 63 63 A H B -H 48 0A 16 -15,-0.3 2,-0.4 1,-0.1 -15,-0.3 -0.328 64.3-101.6 -43.7 130.1 8.4 0.5 9.0 64 64 A F + 0 0 5 -17,-2.9 7,-2.9 41,-0.2 8,-0.3 -0.478 62.0 143.9 -69.6 120.2 8.0 -2.8 10.8 65 65 A N 0 0 89 -2,-0.4 34,-0.1 5,-0.2 4,-0.0 -0.543 360.0 360.0-160.0 92.5 10.5 -5.4 9.7 66 66 A P 0 0 103 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 0.967 360.0 360.0 -64.5 360.0 12.0 -7.9 12.2 67 ! 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 68 79 A R 0 0 153 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.1 9.4 -6.5 1.0 69 80 A R > - 0 0 110 1,-0.1 3,-1.7 -4,-0.0 -4,-0.2 -0.426 360.0-116.2 -69.8 147.7 9.4 -5.5 4.6 70 81 A V T 3 S+ 0 0 8 1,-0.3 -5,-0.2 -7,-0.1 23,-0.2 0.901 115.8 49.6 -48.9 -45.7 6.9 -7.4 6.9 71 82 A G T 3 S+ 0 0 0 -7,-2.9 -24,-2.7 -24,-0.1 2,-0.8 0.503 82.7 110.7 -77.2 -2.5 5.0 -4.2 7.6 72 83 A D E < +F 46 0A 20 -3,-1.7 -26,-0.2 -8,-0.3 3,-0.1 -0.623 34.5 169.2 -81.6 109.1 4.7 -3.2 3.9 73 84 A L E - 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