==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-MAR-09 3GQF . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.D.WINKLER,J.P.SCHUERMANN,P.J.HART . 918 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 321 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.0 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-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 . 5 0.5 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 . 94 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 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 RESIDUES PER ALPHA HELIX . 6 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 . 18 5 1 6 12 0 10 8 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 6 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 0 119 0, 0.0 2,-0.3 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 133.4 -34.5 -45.4 -2.8 2 2 A T E -A 22 0A 44 20,-2.5 20,-2.4 22,-0.1 2,-0.3 -0.982 360.0-165.1-138.7 149.2 -33.9 -43.1 -5.8 3 3 A K E +A 21 0A 88 149,-0.4 149,-2.3 -2,-0.3 2,-0.3 -0.979 8.1 178.0-132.5 146.6 -33.7 -43.4 -9.6 4 4 A A E -AB 20 151A 2 16,-2.0 16,-2.4 -2,-0.3 2,-0.3 -0.906 7.5-160.9-140.0 166.6 -32.4 -41.1 -12.3 5 5 A V E -AB 19 150A 2 145,-2.1 145,-3.0 -2,-0.3 2,-0.4 -0.992 2.5-163.4-151.4 150.5 -32.0 -41.2 -16.1 6 6 A C E -A 18 0A 2 12,-2.1 12,-2.6 -2,-0.3 2,-0.6 -0.990 9.7-153.9-141.9 129.7 -30.0 -39.5 -18.8 7 7 A V E -A 17 0A 26 141,-0.4 2,-0.5 -2,-0.4 10,-0.2 -0.928 19.0-150.4 -99.4 117.8 -30.5 -39.3 -22.5 8 8 A L E +A 16 0A 0 8,-2.8 8,-1.7 -2,-0.6 2,-0.3 -0.817 26.6 161.5 -90.6 125.0 -27.2 -38.7 -24.3 9 9 A K E +AC 15 146A 127 137,-2.6 137,-2.1 -2,-0.5 2,-0.2 -0.989 5.7 162.4-140.5 148.8 -27.4 -36.8 -27.6 10 10 A G - 0 0 33 4,-0.5 135,-0.1 2,-0.3 134,-0.1 -0.795 54.2 -80.8-146.5-166.6 -24.9 -34.9 -29.7 11 11 A D S S+ 0 0 179 -2,-0.2 134,-0.1 133,-0.1 133,-0.1 0.659 108.6 43.4 -77.7 -15.9 -24.4 -33.5 -33.2 12 12 A G S S- 0 0 50 132,-0.5 -2,-0.3 2,-0.2 132,-0.0 -0.006 110.6 -65.4-109.9-149.5 -23.2 -36.9 -34.6 13 13 A P S S+ 0 0 94 0, 0.0 2,-0.5 0, 0.0 25,-0.1 0.523 90.4 111.4 -82.9 -7.7 -24.3 -40.5 -34.4 14 14 A V + 0 0 8 130,-0.3 -4,-0.5 23,-0.2 2,-0.3 -0.569 38.6 145.2 -79.4 122.4 -23.5 -41.0 -30.7 15 15 A Q E +AD 9 36A 89 21,-1.6 21,-2.9 -2,-0.5 2,-0.3 -0.994 11.0 148.4-153.8 147.6 -26.6 -41.6 -28.5 16 16 A G E -AD 8 35A 11 -8,-1.7 -8,-2.8 -2,-0.3 2,-0.4 -0.986 36.3-118.4-166.3 178.4 -27.7 -43.5 -25.5 17 17 A I E -AD 7 34A 68 17,-1.9 17,-1.7 -2,-0.3 2,-0.4 -0.996 24.9-170.4-131.2 125.6 -29.7 -43.9 -22.4 18 18 A I E -AD 6 33A 0 -12,-2.6 -12,-2.1 -2,-0.4 2,-0.3 -0.971 5.9-157.3-122.1 128.6 -28.1 -44.3 -19.0 19 19 A N E -AD 5 32A 48 13,-3.7 13,-2.3 -2,-0.4 2,-0.4 -0.786 2.0-160.8-104.9 147.2 -29.9 -45.3 -15.8 20 20 A F E -AD 4 31A 1 -16,-2.4 -16,-2.0 -2,-0.3 2,-0.4 -0.972 8.7-179.5-125.1 141.4 -28.9 -44.5 -12.2 21 21 A E E -AD 3 30A 66 9,-1.8 9,-3.1 -2,-0.4 2,-0.5 -0.961 9.7-177.0-145.7 124.1 -30.2 -46.4 -9.1 22 22 A Q E -AD 2 29A 1 -20,-2.4 -20,-2.5 -2,-0.4 7,-0.2 -0.974 4.5-171.6-118.2 110.6 -29.4 -45.8 -5.5 23 23 A K S S+ 0 0 166 5,-0.6 2,-0.3 -2,-0.5 -1,-0.1 0.864 75.9 23.9 -67.0 -38.9 -31.1 -48.3 -3.1 24 24 A E S > S- 0 0 152 4,-0.3 3,-1.9 -23,-0.1 -1,-0.2 -0.969 95.9 -92.1-133.1 148.0 -30.0 -46.4 0.0 25 25 A S T 3 S+ 0 0 97 -2,-0.3 -2,-0.0 1,-0.3 83,-0.0 -0.289 112.0 2.7 -62.2 137.8 -29.0 -42.8 0.7 26 26 A N T 3 S+ 0 0 122 1,-0.2 -1,-0.3 81,-0.1 3,-0.1 0.404 109.4 121.2 59.3 0.5 -25.3 -42.2 0.4 27 27 A G S < S- 0 0 12 -3,-1.9 -1,-0.2 1,-0.2 2,-0.1 -0.112 75.9 -57.4 -72.9-179.3 -25.0 -45.9 -0.6 28 28 A P - 0 0 60 0, 0.0 -5,-0.6 0, 0.0 2,-0.5 -0.353 48.5-136.2 -64.2 139.2 -23.6 -47.1 -4.0 29 29 A V E -DE 22 101A 0 72,-3.7 72,-2.6 75,-0.2 2,-0.6 -0.875 9.9-147.3 -97.1 126.4 -25.1 -45.8 -7.2 30 30 A K E -DE 21 100A 101 -9,-3.1 -9,-1.8 -2,-0.5 2,-0.5 -0.841 16.4-170.2 -89.1 122.0 -25.6 -48.4 -9.9 31 31 A V E +DE 20 99A 0 68,-3.3 68,-3.3 -2,-0.6 2,-0.3 -0.975 17.2 152.3-119.2 124.7 -25.2 -46.9 -13.4 32 32 A W E +DE 19 98A 96 -13,-2.3 -13,-3.7 -2,-0.5 2,-0.3 -0.996 8.0 102.5-151.7 150.5 -26.2 -48.9 -16.5 33 33 A G E -DE 18 97A 16 64,-1.7 64,-1.0 -2,-0.3 2,-0.4 -0.977 54.8 -81.4 166.2-157.6 -27.4 -48.4 -20.0 34 34 A S E -DE 17 96A 49 -17,-1.7 -17,-1.9 -2,-0.3 2,-0.4 -0.991 22.7-166.5-142.4 139.1 -26.3 -48.5 -23.6 35 35 A I E -DE 16 95A 0 60,-2.2 60,-3.3 -2,-0.4 -19,-0.2 -1.000 14.5-173.3-126.4 133.4 -24.5 -46.1 -25.8 36 36 A K E +D 15 0A 109 -21,-2.9 -21,-1.6 -2,-0.4 58,-0.2 -0.737 56.5 50.2-120.2 168.2 -24.4 -46.6 -29.6 37 37 A G S S+ 0 0 35 55,-0.4 2,-0.2 1,-0.3 -23,-0.2 0.610 79.0 133.2 82.0 13.9 -22.6 -44.9 -32.6 38 38 A L - 0 0 10 55,-2.1 -1,-0.3 -3,-0.2 2,-0.2 -0.597 61.4-108.5 -96.1 153.2 -19.2 -45.0 -30.9 39 39 A T - 0 0 98 -2,-0.2 50,-0.3 82,-0.2 53,-0.1 -0.575 51.1 -88.8 -73.2 147.1 -15.8 -46.0 -32.2 40 40 A E S S+ 0 0 136 -2,-0.2 2,-0.3 51,-0.2 50,-0.2 -0.253 91.8 37.4 -51.6 136.3 -14.5 -49.4 -30.9 41 41 A G E S-F 89 0A 27 48,-2.4 48,-2.9 -3,-0.1 2,-0.2 -0.755 96.9 -16.6 119.3-165.5 -12.5 -48.9 -27.7 42 42 A L E -F 88 0A 88 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.553 49.6-172.3 -84.4 142.2 -12.4 -46.8 -24.5 43 43 A H E -F 87 0A 2 44,-2.4 44,-2.4 -2,-0.2 80,-0.3 -0.989 28.9-111.9-136.8 128.8 -14.3 -43.6 -24.1 44 44 A G E -F 86 0A 0 78,-2.7 76,-2.6 -2,-0.4 2,-0.4 -0.260 33.8-171.8 -53.3 140.7 -14.2 -41.1 -21.2 45 45 A F E + G 0 119A 0 40,-2.3 39,-1.1 74,-0.2 2,-0.3 -0.967 19.3 140.9-147.8 110.7 -17.4 -41.0 -19.2 46 46 A R E -FG 83 118A 0 72,-2.1 72,-2.6 -2,-0.4 2,-0.5 -0.951 48.2-108.4-152.2 167.5 -18.0 -38.3 -16.6 47 47 A V E - G 0 117A 0 35,-2.1 17,-3.0 -2,-0.3 70,-0.2 -0.931 31.0-151.7-105.7 121.3 -20.4 -35.9 -14.8 48 48 A Q E -HG 63 116A 1 68,-3.0 68,-1.3 -2,-0.5 15,-0.3 -0.625 24.6-112.3 -89.2 156.8 -19.9 -32.2 -15.5 49 49 A E S S+ 0 0 64 13,-3.2 2,-0.4 -2,-0.2 12,-0.2 0.810 91.6 50.4 -61.1 -39.7 -20.9 -29.6 -12.9 50 50 A F - 0 0 14 10,-2.7 2,-0.8 12,-0.2 66,-0.3 -0.827 65.1-142.3-113.1 142.6 -23.8 -27.9 -14.7 51 51 A G + 0 0 2 254,-1.7 2,-0.6 63,-0.7 253,-0.4 -0.340 61.0 134.4 -88.6 49.5 -26.9 -29.2 -16.4 52 52 A D + 0 0 28 -2,-0.8 3,-0.2 1,-0.1 -2,-0.1 -0.907 21.5 160.7-111.7 109.9 -26.5 -26.5 -19.0 53 53 A N > + 0 0 43 -2,-0.6 3,-1.6 1,-0.1 -1,-0.1 0.100 36.9 117.4-110.9 16.1 -26.9 -27.6 -22.6 54 54 A T T 3 S+ 0 0 53 1,-0.3 -1,-0.1 5,-0.1 3,-0.1 0.847 88.3 29.2 -61.9 -36.2 -27.5 -24.2 -24.1 55 55 A A T > S- 0 0 62 1,-0.5 3,-0.8 -3,-0.2 -1,-0.3 -0.320 124.3 -97.6-114.4 47.9 -24.4 -24.2 -26.3 56 56 A G G X S- 0 0 31 -3,-1.6 3,-0.8 1,-0.2 -1,-0.5 -0.370 80.7 -27.7 67.0-149.6 -24.3 -28.0 -26.7 57 57 A a G > S+ 0 0 19 1,-0.2 3,-0.8 86,-0.1 -1,-0.2 0.630 127.2 75.4 -76.2 -10.8 -22.0 -30.0 -24.4 58 58 A T G X S+ 0 0 95 -3,-0.8 3,-0.8 1,-0.2 -1,-0.2 0.778 85.4 61.8 -68.3 -29.8 -19.5 -27.1 -24.0 59 59 A S G < S+ 0 0 30 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.511 79.0 85.7 -80.6 -1.8 -21.7 -25.1 -21.6 60 60 A A G < S- 0 0 0 -3,-0.8 -10,-2.7 1,-0.2 -1,-0.2 0.530 84.5-147.3 -79.5 -8.2 -21.8 -27.8 -18.8 61 61 A G < - 0 0 24 -3,-0.8 -1,-0.2 -12,-0.2 3,-0.1 -0.379 38.8 -18.1 87.2-154.1 -18.5 -26.5 -17.3 62 62 A P S S- 0 0 78 0, 0.0 -13,-3.2 0, 0.0 -12,-0.2 -0.354 87.4 -70.3 -84.7 170.4 -15.8 -28.5 -15.6 63 63 A H B -H 48 0A 8 73,-0.3 2,-0.4 -15,-0.3 -15,-0.3 -0.297 65.8 -89.0 -54.7 145.1 -16.1 -32.0 -14.2 64 64 A F + 0 0 5 -17,-3.0 18,-2.6 52,-0.2 17,-0.3 -0.462 63.1 160.1 -61.0 117.1 -18.3 -32.1 -11.0 65 65 A N > + 0 0 43 -2,-0.4 3,-1.5 15,-0.2 -1,-0.1 -0.483 12.9 157.4-146.1 63.7 -15.7 -31.4 -8.3 66 66 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.763 80.1 54.2 -67.1 -23.1 -17.3 -30.2 -5.0 67 67 A L T 3 S- 0 0 82 2,-0.0 13,-0.0 0, 0.0 -2,-0.0 0.309 108.1-124.5 -93.5 6.4 -14.3 -31.4 -2.9 68 68 A S < + 0 0 106 -3,-1.5 2,-0.1 1,-0.1 12,-0.1 0.865 57.2 148.6 57.1 47.2 -11.8 -29.5 -5.1 69 69 A R - 0 0 75 10,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.363 49.1 -95.1-102.4 177.8 -9.6 -32.4 -6.0 70 70 A K - 0 0 130 -2,-0.1 66,-0.2 1,-0.1 -1,-0.1 -0.651 51.1 -85.8 -90.9 156.0 -7.6 -33.3 -9.1 71 71 A H + 0 0 6 64,-2.1 2,-0.2 -2,-0.2 66,-0.1 -0.341 61.9 149.8 -58.6 135.1 -8.9 -35.5 -11.9 72 72 A G - 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