==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-MAR-08 2VR7 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.ANTONYUK,X.CAO,S.V.SEETHARAMAN,L.J.WHITSON,A.B.TAYLOR, . 306 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 65.7 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 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 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 0.7 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 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 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 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 . 7 2 3 2 2 0 3 3 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 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 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 87 0, 0.0 2,-0.4 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 155.7 -11.1 -9.5 30.7 2 2 A T E -A 22 0A 53 20,-2.6 20,-2.8 22,-0.1 2,-0.3 -0.969 360.0-165.2-124.0 145.5 -8.6 -7.7 28.5 3 3 A K E +AB 21 152A 84 149,-0.5 149,-2.2 -2,-0.4 2,-0.3 -0.957 7.8 177.1-129.1 148.0 -8.6 -7.7 24.8 4 4 A A E -AB 20 151A 3 16,-2.2 16,-2.7 -2,-0.3 2,-0.3 -0.919 7.2-162.8-142.0 167.8 -5.9 -6.7 22.3 5 5 A V E -AB 19 150A 3 145,-2.1 145,-3.0 -2,-0.3 2,-0.3 -0.984 2.8-163.2-150.8 154.9 -5.5 -6.7 18.5 6 6 A C E -A 18 0A 2 12,-1.9 12,-2.9 -2,-0.3 2,-0.6 -0.975 10.2-151.7-145.2 130.8 -2.7 -6.4 15.9 7 7 A V E -A 17 0A 28 141,-0.4 2,-0.5 -2,-0.3 10,-0.2 -0.911 20.3-150.7 -99.8 120.2 -2.7 -5.7 12.2 8 8 A L E +A 16 0A 0 8,-2.5 8,-1.8 -2,-0.6 2,-0.3 -0.810 27.1 155.6 -96.1 127.3 0.3 -7.3 10.5 9 9 A K B +G 146 0B 122 137,-2.2 137,-2.4 -2,-0.5 2,-0.2 -0.971 5.0 154.5-143.8 160.1 1.6 -5.6 7.4 10 10 A G - 0 0 36 4,-0.5 135,-0.2 2,-0.4 134,-0.1 -0.771 55.8 -70.7-159.0-156.2 5.0 -5.5 5.5 11 11 A D S S+ 0 0 177 133,-0.4 134,-0.1 -2,-0.2 133,-0.1 0.555 109.7 46.2 -92.5 -15.6 6.7 -4.9 2.2 12 12 A G S S- 0 0 49 132,-0.6 -2,-0.4 2,-0.1 25,-0.0 -0.126 111.9 -71.0-104.4-155.3 5.5 -8.2 0.5 13 13 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.426 87.1 118.6 -85.1 3.4 2.1 -9.8 0.4 14 14 A V + 0 0 8 130,-0.2 -4,-0.5 23,-0.2 2,-0.3 -0.522 32.7 147.7 -79.7 127.6 1.9 -10.9 4.0 15 15 A Q E + C 0 36A 75 21,-1.9 21,-2.7 -2,-0.3 2,-0.3 -0.990 8.7 145.9-154.3 151.4 -0.9 -9.4 6.0 16 16 A G E -AC 8 35A 12 -8,-1.8 -8,-2.5 -2,-0.3 2,-0.4 -0.984 37.6-119.9-171.2 173.1 -3.2 -10.5 8.8 17 17 A I E -AC 7 34A 68 17,-1.8 17,-1.2 -2,-0.3 2,-0.5 -0.996 25.3-167.8-130.1 126.0 -5.2 -9.6 11.9 18 18 A I E -AC 6 33A 0 -12,-2.9 -12,-1.9 -2,-0.4 2,-0.3 -0.973 4.5-156.9-121.4 129.2 -4.4 -11.2 15.2 19 19 A N E -AC 5 32A 50 13,-3.3 13,-2.1 -2,-0.5 2,-0.4 -0.737 3.0-163.0-103.2 146.5 -6.7 -11.0 18.2 20 20 A F E +AC 4 31A 2 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.4 -0.994 8.6 178.8-127.0 137.2 -5.7 -11.5 21.9 21 21 A E E -AC 3 30A 52 9,-2.2 9,-2.8 -2,-0.4 2,-0.4 -0.984 7.2-179.0-141.2 133.2 -8.1 -12.2 24.8 22 22 A Q E -AC 2 29A 1 -20,-2.8 -20,-2.6 -2,-0.4 7,-0.1 -0.991 12.5-161.5-130.7 118.7 -7.3 -12.8 28.4 23 23 A K S S- 0 0 151 5,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.830 72.4 -0.1 -69.3 -34.8 -10.2 -13.5 30.8 24 24 A E S > S- 0 0 138 4,-0.3 3,-2.4 -23,-0.1 -1,-0.2 -0.974 92.4 -65.7-152.3 163.1 -8.3 -12.6 34.0 25 25 A S T 3 S+ 0 0 95 -2,-0.3 83,-0.0 1,-0.3 -2,-0.0 -0.241 119.9 3.0 -52.3 136.4 -4.9 -11.5 35.4 26 26 A N T 3 S+ 0 0 137 1,-0.2 -1,-0.3 81,-0.1 3,-0.1 0.504 104.1 130.4 64.2 6.6 -2.2 -14.0 34.9 27 27 A G < - 0 0 6 -3,-2.4 -1,-0.2 1,-0.2 74,-0.1 -0.286 68.5 -70.3 -84.7 173.0 -4.6 -16.3 32.9 28 28 A P - 0 0 50 0, 0.0 -5,-0.6 0, 0.0 2,-0.5 -0.312 45.0-137.8 -59.2 144.5 -4.1 -17.9 29.6 29 29 A V E -CD 22 101A 0 72,-2.7 72,-2.4 -7,-0.1 2,-0.4 -0.944 9.2-145.2-106.5 122.8 -4.1 -15.6 26.6 30 30 A K E -CD 21 100A 107 -9,-2.8 -9,-2.2 -2,-0.5 2,-0.4 -0.762 16.2-170.7 -84.8 134.1 -6.0 -16.8 23.5 31 31 A V E +CD 20 99A 1 68,-2.8 68,-2.9 -2,-0.4 2,-0.3 -0.993 19.9 147.1-130.7 117.7 -4.3 -15.6 20.3 32 32 A W E +CD 19 98A 101 -13,-2.1 -13,-3.3 -2,-0.4 2,-0.3 -1.000 5.8 97.6-154.7 155.9 -6.2 -16.2 17.0 33 33 A G E -CD 18 97A 18 64,-1.6 64,-2.1 -2,-0.3 2,-0.4 -0.972 58.4 -72.7 158.1-162.3 -6.8 -14.8 13.5 34 34 A S E -CD 17 96A 51 -17,-1.2 -17,-1.8 -2,-0.3 2,-0.4 -0.963 26.3-169.2-131.5 140.3 -5.7 -15.2 10.0 35 35 A I E -CD 16 95A 0 60,-2.2 60,-3.2 -2,-0.4 -19,-0.2 -0.999 14.2-172.3-125.2 129.7 -2.5 -14.3 8.1 36 36 A K E +C 15 0A 112 -21,-2.7 -21,-1.9 -2,-0.4 58,-0.2 -0.712 56.3 51.7-114.0 172.7 -2.4 -14.6 4.3 37 37 A G S S+ 0 0 30 55,-0.4 2,-0.3 1,-0.3 -23,-0.2 0.654 76.8 133.6 78.9 15.5 0.3 -14.2 1.8 38 38 A L - 0 0 7 55,-2.3 -1,-0.3 -3,-0.2 2,-0.1 -0.676 62.3-104.2 -97.2 153.1 2.7 -16.7 3.4 39 39 A T - 0 0 95 -2,-0.3 50,-0.3 82,-0.1 53,-0.1 -0.463 53.0 -90.4 -68.9 142.0 4.7 -19.6 1.9 40 40 A E S S+ 0 0 137 51,-0.2 2,-0.3 -2,-0.1 50,-0.2 -0.323 93.7 33.4 -53.2 130.2 3.1 -23.0 2.7 41 41 A G E S-E 89 0A 27 48,-2.4 48,-2.9 -3,-0.1 2,-0.2 -0.810 99.1 -13.1 119.9-162.5 4.6 -24.3 5.9 42 42 A L E -E 88 0A 85 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.524 49.4-172.9 -86.3 143.6 5.8 -23.1 9.3 43 43 A H E -E 87 0A 1 44,-2.4 44,-2.5 -2,-0.2 80,-0.3 -0.997 28.3-112.3-138.1 127.9 6.6 -19.5 10.2 44 44 A G - 0 0 0 78,-2.8 76,-2.5 -2,-0.4 2,-0.4 -0.195 30.5-165.5 -54.7 149.0 8.2 -18.0 13.3 45 45 A F E +H 119 0B 0 39,-0.4 39,-0.9 74,-0.2 2,-0.3 -0.944 16.7 164.2-149.3 111.4 5.9 -15.9 15.4 46 46 A H E -HI 118 83B 0 72,-2.3 72,-2.7 -2,-0.4 2,-0.7 -0.968 41.0-130.0-136.6 151.0 7.2 -13.6 18.0 47 47 A V E -H 117 0B 0 35,-2.0 17,-2.8 -2,-0.3 70,-0.2 -0.895 34.4-156.3 -95.2 118.0 6.5 -10.7 20.3 48 48 A H E -HJ 116 63B 1 68,-3.4 68,-1.8 -2,-0.7 15,-0.3 -0.614 21.4-113.9 -93.6 156.5 9.4 -8.3 19.8 49 49 A E S S+ 0 0 63 13,-3.0 2,-0.4 -2,-0.2 12,-0.2 0.840 88.9 53.1 -63.5 -43.6 10.3 -5.8 22.6 50 50 A F - 0 0 14 10,-2.6 2,-1.0 12,-0.2 256,-0.2 -0.806 62.2-146.2-107.6 136.9 9.5 -2.4 21.0 51 51 A G + 0 0 2 254,-1.8 2,-0.6 63,-0.7 253,-0.4 -0.332 61.9 128.0 -86.2 53.1 6.3 -1.1 19.4 52 52 A D + 0 0 29 -2,-1.0 3,-0.2 7,-0.2 -2,-0.1 -0.941 24.4 162.1-119.5 106.0 8.5 0.9 17.1 53 53 A N > + 0 0 37 -2,-0.6 3,-1.6 1,-0.1 5,-0.1 -0.000 39.0 117.9-112.7 29.2 7.8 0.5 13.4 54 54 A T T 3 S+ 0 0 60 1,-0.3 -1,-0.1 5,-0.1 3,-0.1 0.817 90.1 32.0 -65.4 -31.2 9.6 3.7 12.3 55 55 A A T > S- 0 0 63 1,-0.6 3,-1.2 -3,-0.2 -1,-0.3 -0.339 124.2-107.2-112.7 40.2 12.1 1.6 10.3 56 56 A G G X S- 0 0 38 -3,-1.6 3,-0.9 1,-0.2 -1,-0.6 -0.321 79.6 -22.9 64.0-147.6 9.5 -1.0 9.5 57 57 A a G > S+ 0 0 16 1,-0.2 3,-1.5 86,-0.2 -1,-0.2 0.720 128.2 75.6 -71.1 -15.9 9.8 -4.3 11.3 58 58 A T G X S+ 0 0 114 -3,-1.2 3,-0.9 1,-0.3 -1,-0.2 0.840 87.8 58.4 -64.6 -33.1 13.6 -3.7 11.9 59 59 A S G < S+ 0 0 25 -3,-0.9 -1,-0.3 1,-0.2 -7,-0.2 0.436 79.1 91.9 -80.3 5.2 13.0 -1.2 14.7 60 60 A A G < S- 0 0 0 -3,-1.5 -10,-2.6 1,-0.2 -1,-0.2 0.567 81.9-144.6 -79.6 -3.2 11.0 -3.6 16.8 61 61 A G < - 0 0 18 -3,-0.9 -1,-0.2 -12,-0.2 3,-0.1 -0.290 36.1 -35.2 75.0-167.3 14.1 -4.8 18.7 62 62 A P S S- 0 0 69 0, 0.0 -13,-3.0 0, 0.0 -12,-0.2 -0.086 85.2 -58.8 -81.6-176.1 14.8 -8.3 19.9 63 63 A H B -J 48 0B 9 73,-0.3 -15,-0.3 -15,-0.3 2,-0.3 -0.391 67.1 -94.3 -63.5 142.7 12.4 -10.8 21.3 64 64 A F + 0 0 7 -17,-2.8 18,-2.3 16,-0.1 17,-0.4 -0.480 64.5 154.2 -63.1 122.3 10.5 -9.6 24.4 65 65 A N > + 0 0 38 -2,-0.3 3,-2.1 15,-0.2 -1,-0.1 -0.488 19.9 175.2-160.6 66.4 12.7 -10.9 27.2 66 66 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.691 85.1 45.4 -62.1 -23.3 12.5 -9.0 30.4 67 67 A L T 3 S- 0 0 126 2,-0.0 13,-0.0 0, 0.0 -2,-0.0 0.250 108.1-119.4-102.5 12.0 14.8 -11.5 32.3 68 68 A S < + 0 0 107 -3,-2.1 2,-0.1 1,-0.1 12,-0.1 0.881 57.3 158.4 53.9 44.7 17.4 -11.8 29.6 69 69 A R - 0 0 75 1,-0.1 2,-0.1 10,-0.1 -1,-0.1 -0.348 43.7 -88.5 -87.8 171.8 16.9 -15.6 29.1 70 70 A K - 0 0 121 1,-0.1 66,-0.2 -2,-0.1 2,-0.1 -0.462 48.3 -92.6 -79.6 156.6 17.7 -17.7 26.1 71 71 A H + 0 0 9 64,-2.8 2,-0.2 8,-0.2 -1,-0.1 -0.443 57.3 158.7 -68.1 140.8 15.4 -18.3 23.2 72 72 A G - 0 0 2 -2,-0.1 55,-0.2 64,-0.1 54,-0.2 -0.779 41.9 -78.9-147.0-174.6 13.1 -21.4 23.6 73 73 A G > - 0 0 3 53,-0.4 3,-1.8 -2,-0.2 10,-0.1 -0.582 49.5-103.9 -90.6 164.2 10.0 -23.1 22.4 74 74 A P T 3 S+ 0 0 40 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.801 120.6 51.2 -62.1 -25.4 6.7 -22.0 23.9 75 75 A K T 3 S+ 0 0 198 3,-0.1 2,-0.1 26,-0.0 4,-0.1 0.529 91.7 102.6 -89.2 -6.8 6.5 -25.1 26.1 76 76 A D < - 0 0 51 -3,-1.8 3,-0.1 1,-0.1 -4,-0.1 -0.425 69.1-139.7 -77.2 149.7 9.9 -24.6 27.6 77 77 A E S S+ 0 0 180 1,-0.2 2,-1.2 -2,-0.1 -1,-0.1 0.903 100.3 59.4 -65.3 -44.2 10.8 -23.2 31.0 78 78 A E S S+ 0 0 91 -7,-0.1 2,-0.3 -9,-0.0 -5,-0.2 -0.770 81.7 118.2 -92.1 96.6 13.7 -21.3 29.4 79 79 A R - 0 0 3 -2,-1.2 -8,-0.2 -7,-0.2 2,-0.2 -0.980 66.3-103.4-146.9 159.5 12.0 -19.1 26.8 80 80 A H > - 0 0 8 -2,-0.3 3,-1.8 -8,-0.1 -15,-0.2 -0.532 36.4-117.8 -72.1 151.5 11.6 -15.4 26.0 81 81 A V T 3 S+ 0 0 4 -17,-0.4 -16,-0.2 1,-0.3 23,-0.1 0.903 115.8 56.1 -56.4 -37.9 8.2 -14.1 26.9 82 82 A G T 3 S+ 0 0 0 -18,-2.3 -35,-2.0 -35,-0.2 2,-1.6 0.360 75.0 114.0 -78.4 7.4 7.8 -13.4 23.2 83 83 A D B < +I 46 0B 0 -3,-1.8 -37,-0.2 -19,-0.2 -1,-0.1 -0.564 44.9 173.7 -86.3 85.2 8.4 -16.9 22.0 84 84 A L - 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