==== 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 3CQP . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.CAO,S.ANTONYUK,S.V.SEETHARAMAN,L.J.WHITSON,A.B.TAYLOR,S.P. . 585 7 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 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 . 6 1.0 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 . 52 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 3 1 4 8 3 9 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 1 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 2 A T 0 0 87 0, 0.0 20,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.0 2.3 125.4 77.4 2 3 A K E +AB 20 151A 81 149,-0.5 149,-2.4 18,-0.2 2,-0.3 -0.960 360.0 178.8-124.1 147.3 5.6 124.2 76.3 3 4 A A E -AB 19 150A 2 16,-2.4 16,-2.6 -2,-0.4 2,-0.3 -0.909 6.8-163.1-138.5 168.6 6.4 121.6 73.6 4 5 A V E -AB 18 149A 2 145,-2.3 145,-3.0 -2,-0.3 2,-0.4 -0.984 3.7-160.1-151.9 153.4 9.6 120.0 72.1 5 6 A C E -A 17 0A 2 12,-2.2 12,-2.6 -2,-0.3 2,-0.7 -0.993 8.9-152.7-140.0 131.0 10.5 118.0 69.1 6 7 A V E -A 16 0A 29 141,-0.5 2,-0.5 -2,-0.4 10,-0.2 -0.923 20.4-151.5-101.3 113.7 13.6 115.8 68.4 7 8 A L E +A 15 0A 0 8,-2.6 8,-1.7 -2,-0.7 2,-0.3 -0.767 24.9 161.2 -90.1 124.6 14.3 115.8 64.7 8 9 A K B +E 145 0B 93 137,-2.5 137,-2.4 -2,-0.5 2,-0.2 -0.966 6.5 167.6-137.9 157.1 16.0 112.6 63.3 9 10 A G - 0 0 38 4,-0.5 135,-0.2 2,-0.4 134,-0.1 -0.819 51.8 -78.8-151.1-169.8 16.4 111.1 59.8 10 11 A D S S+ 0 0 177 133,-0.4 134,-0.1 -2,-0.2 133,-0.1 0.666 109.9 29.6 -71.7 -21.9 18.0 108.6 57.5 11 12 A G S S- 0 0 50 132,-0.6 -2,-0.4 2,-0.2 132,-0.0 -0.095 111.8 -54.7-121.1-146.0 21.1 110.9 57.2 12 13 A P S S+ 0 0 100 0, 0.0 2,-0.4 0, 0.0 25,-0.1 0.521 91.5 107.9 -83.9 -6.8 23.2 113.5 59.1 13 14 A V + 0 0 6 130,-0.2 -4,-0.5 23,-0.2 2,-0.3 -0.596 39.2 135.2 -81.9 128.0 20.4 115.9 59.8 14 15 A Q E + C 0 35A 112 21,-1.7 21,-2.8 -2,-0.4 2,-0.3 -0.967 12.9 138.1-164.4 151.8 19.2 116.1 63.4 15 16 A G E -AC 7 34A 10 -8,-1.7 -8,-2.6 -2,-0.3 2,-0.4 -0.985 41.5 -99.5-173.8-174.7 18.2 118.7 66.0 16 17 A I E -AC 6 33A 64 17,-1.6 17,-1.4 -2,-0.3 2,-0.5 -0.996 26.4-169.0-129.5 125.8 16.0 119.8 68.8 17 18 A I E -AC 5 32A 0 -12,-2.6 -12,-2.2 -2,-0.4 2,-0.3 -0.963 7.3-157.5-117.1 129.9 13.2 122.4 68.4 18 19 A N E -AC 4 31A 45 13,-3.6 13,-2.3 -2,-0.5 2,-0.4 -0.775 3.3-162.6-104.7 149.5 11.4 124.0 71.4 19 20 A F E +AC 3 30A 1 -16,-2.6 -16,-2.4 -2,-0.3 2,-0.3 -0.991 8.0 179.7-130.4 138.7 7.9 125.6 71.4 20 21 A E E -AC 2 29A 48 9,-2.2 9,-3.0 -2,-0.4 2,-0.4 -0.990 9.0-175.5-142.8 135.1 6.5 128.0 74.0 21 22 A Q - 0 0 4 -20,-2.6 7,-0.2 -2,-0.3 4,-0.0 -0.944 4.8-171.6-131.6 108.6 3.1 129.7 74.2 22 23 A K S S+ 0 0 164 5,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.854 72.9 29.2 -67.6 -39.1 2.5 132.1 77.1 23 24 A E S > S- 0 0 117 4,-0.3 3,-1.9 -22,-0.1 -1,-0.1 -0.926 92.2 -94.4-124.6 149.4 -1.2 132.6 76.5 24 25 A S T 3 S+ 0 0 102 -2,-0.3 -2,-0.0 1,-0.3 83,-0.0 -0.397 114.4 3.9 -52.6 130.0 -4.1 130.6 75.1 25 26 A N T 3 S+ 0 0 136 1,-0.2 -1,-0.3 81,-0.1 3,-0.1 0.508 108.3 122.2 65.5 7.5 -4.4 131.5 71.4 26 27 A G S < S- 0 0 12 -3,-1.9 -1,-0.2 1,-0.2 74,-0.1 -0.239 72.3 -61.4 -87.3-179.4 -1.3 133.7 71.6 27 28 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 -5,-0.5 -0.273 46.4-136.0 -64.2 150.4 1.9 133.6 69.5 28 29 A V E - D 0 100A 0 72,-3.1 72,-2.5 -7,-0.2 2,-0.4 -0.949 9.2-142.6-108.5 123.7 4.1 130.5 69.8 29 30 A K E -CD 20 99A 63 -9,-3.0 -9,-2.2 -2,-0.5 2,-0.4 -0.730 17.3-168.0 -80.5 131.8 7.9 130.9 70.1 30 31 A V E +CD 19 98A 0 68,-3.1 68,-3.3 -2,-0.4 2,-0.3 -0.993 19.7 151.3-125.3 121.6 9.8 128.3 68.1 31 32 A W E +CD 18 97A 85 -13,-2.3 -13,-3.6 -2,-0.4 2,-0.3 -0.999 9.9 90.9-154.4 150.7 13.6 127.9 68.7 32 33 A G E -CD 17 96A 17 64,-1.7 64,-3.0 -2,-0.3 2,-0.3 -0.975 59.0 -81.4 159.4-158.1 16.5 125.5 68.7 33 34 A S E -CD 16 95A 35 -17,-1.4 -17,-1.6 -2,-0.3 2,-0.4 -0.999 20.6-159.0-143.6 145.5 19.1 124.3 66.3 34 35 A I E -CD 15 94A 0 60,-2.1 60,-3.0 -2,-0.3 2,-0.2 -0.979 17.8-167.2-122.7 134.1 19.3 121.7 63.5 35 36 A K E +C 14 0A 107 -21,-2.8 -21,-1.7 -2,-0.4 58,-0.2 -0.740 58.0 48.2-119.2 165.6 22.6 120.3 62.4 36 37 A G S S+ 0 0 35 55,-0.4 -23,-0.2 1,-0.3 57,-0.2 0.516 77.0 138.4 84.5 7.9 23.9 118.3 59.4 37 38 A L - 0 0 8 55,-2.3 -1,-0.3 -3,-0.2 2,-0.2 -0.441 59.0-109.0 -83.7 152.8 22.2 120.6 56.8 38 39 A T - 0 0 98 82,-0.2 50,-0.3 -2,-0.1 -1,-0.1 -0.598 53.3 -87.9 -72.7 145.1 23.6 121.8 53.5 39 40 A E S S+ 0 0 98 -2,-0.2 2,-0.3 51,-0.2 50,-0.2 -0.322 94.4 34.3 -56.9 131.4 24.4 125.5 53.5 40 41 A G E S-F 88 0B 7 48,-2.3 48,-3.0 -3,-0.1 2,-0.3 -0.834 98.6 -14.9 121.0-160.0 21.3 127.6 52.6 41 42 A L E -F 87 0B 28 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.606 47.0-174.4 -93.2 141.2 17.5 127.4 53.0 42 43 A H E -F 86 0B 2 44,-2.4 44,-2.5 -2,-0.3 80,-0.3 -0.996 30.6-111.3-134.3 128.5 15.5 124.4 54.0 43 44 A G E -F 85 0B 0 78,-2.5 76,-2.9 -2,-0.4 2,-0.4 -0.209 30.6-163.5 -57.2 146.0 11.6 124.1 54.2 44 45 A F E + G 0 118B 0 40,-2.2 39,-1.4 74,-0.2 2,-0.3 -0.958 20.1 155.9-142.0 108.7 10.3 123.8 57.7 45 46 A H E -FG 82 117B 0 72,-2.2 72,-2.9 -2,-0.4 2,-0.6 -0.975 43.9-125.0-140.2 152.6 6.7 122.6 58.2 46 47 A V E - G 0 116B 0 35,-2.2 17,-3.0 -2,-0.3 70,-0.2 -0.879 35.2-152.2 -88.8 121.3 4.3 120.9 60.6 47 48 A H E -HG 62 115B 2 68,-3.5 68,-1.3 -2,-0.6 15,-0.3 -0.616 21.5-111.4 -93.1 159.9 2.8 117.9 58.8 48 49 A E S S+ 0 0 67 13,-2.7 2,-0.4 -2,-0.2 12,-0.2 0.818 91.6 53.0 -63.7 -40.4 -0.7 116.6 59.7 49 50 A F - 0 0 15 10,-2.6 2,-0.7 12,-0.3 66,-0.2 -0.831 59.9-149.9-110.1 137.1 0.1 113.2 61.3 50 51 A G + 0 0 2 253,-1.6 2,-0.7 63,-0.7 252,-0.4 -0.327 61.2 130.8 -85.4 46.9 2.4 112.3 64.2 51 52 A D + 0 0 29 -2,-0.7 3,-0.3 7,-0.2 7,-0.1 -0.903 24.3 163.2-109.3 106.9 2.8 109.0 62.4 52 53 A N > + 0 0 34 -2,-0.7 3,-1.9 1,-0.2 -1,-0.1 0.055 36.7 119.4-112.8 28.8 6.5 108.0 62.0 53 54 A T T 3 S+ 0 0 59 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.690 92.1 30.1 -65.1 -22.4 5.8 104.3 61.3 54 55 A A T > S- 0 0 57 1,-0.7 3,-1.3 -3,-0.3 -1,-0.3 -0.240 121.6-111.8-120.5 40.7 7.5 104.8 57.9 55 56 A G G X S- 0 0 38 -3,-1.9 3,-0.8 1,-0.2 -1,-0.7 -0.401 81.3 -20.5 59.4-140.1 9.8 107.5 59.3 56 57 A a G > S+ 0 0 14 1,-0.2 3,-1.4 86,-0.2 -1,-0.2 0.707 128.7 76.9 -67.6 -23.0 9.0 111.0 57.8 57 58 A T G X S+ 0 0 118 -3,-1.3 3,-0.5 1,-0.3 -1,-0.2 0.803 92.1 50.5 -61.9 -33.3 7.2 109.4 54.9 58 59 A S G < S+ 0 0 28 -3,-0.8 -1,-0.3 1,-0.2 -7,-0.2 0.389 80.9 95.7 -89.0 3.8 4.0 108.6 56.9 59 60 A A G < S- 0 0 0 -3,-1.4 -10,-2.6 1,-0.2 56,-0.3 0.489 81.1-141.3 -73.9 -4.2 3.6 112.1 58.4 60 61 A G < - 0 0 19 -3,-0.5 -1,-0.2 -12,-0.2 3,-0.1 -0.185 36.3 -37.2 74.4-166.1 1.1 113.1 55.7 61 62 A P S S- 0 0 74 0, 0.0 -13,-2.7 0, 0.0 -12,-0.3 -0.127 87.0 -58.4 -81.8-179.0 0.8 116.5 53.9 62 63 A H B -H 47 0B 6 73,-0.3 2,-0.3 -15,-0.3 -15,-0.3 -0.350 68.5 -92.6 -59.2 144.0 1.3 119.9 55.6 63 64 A F + 0 0 7 -17,-3.0 18,-2.4 52,-0.2 17,-0.4 -0.452 59.1 164.1 -62.7 119.7 -1.1 120.4 58.5 64 65 A N > + 0 0 45 -2,-0.3 3,-1.6 15,-0.2 -1,-0.1 -0.442 13.7 157.0-145.1 60.9 -4.0 122.2 56.9 65 66 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.735 80.1 52.6 -67.0 -20.1 -7.2 122.2 59.0 66 67 A L T 3 S- 0 0 75 2,-0.0 13,-0.0 0, 0.0 -2,-0.0 0.330 107.7-122.1 -99.6 8.7 -8.6 125.3 57.1 67 68 A S < + 0 0 105 -3,-1.6 2,-0.2 1,-0.1 12,-0.1 0.893 57.4 152.7 56.6 47.5 -8.2 123.8 53.6 68 69 A R - 0 0 109 10,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.496 47.7 -98.8 -97.7 169.4 -5.9 126.6 52.3 69 70 A K - 0 0 120 -2,-0.2 66,-0.2 1,-0.1 2,-0.1 -0.483 51.9 -86.6 -78.6 160.4 -3.2 126.8 49.6 70 71 A H + 0 0 8 64,-2.0 2,-0.2 8,-0.2 -1,-0.1 -0.419 69.3 122.0 -71.9 143.0 0.4 126.5 50.6 71 72 A G - 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