==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUL-01 1JK9 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.L.LAMB,A.S.TORRES,T.V.O'HALLORAN,A.C.ROSENZWEIG . 792 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 527 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 262 33.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 75 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 1 0 0 3 3 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 5 7 8 3 6 7 2 2 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 . 1 0 2 2 2 0 0 0 1 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 1 A V 0 0 84 0, 0.0 20,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.9 2.8 63.7 178.7 2 2 A Q E +AB 20 152A 60 150,-0.6 150,-2.1 18,-0.2 2,-0.3 -0.925 360.0 176.1-118.9 141.2 3.9 66.7 180.9 3 3 A A E -AB 19 151A 1 16,-2.3 16,-2.5 -2,-0.4 2,-0.3 -0.838 5.4-169.6-133.0 169.6 2.5 67.8 184.3 4 4 A V E -AB 18 150A 6 146,-1.8 146,-2.9 -2,-0.3 2,-0.4 -0.960 8.3-158.8-162.8 145.1 3.5 70.5 186.8 5 5 A A E -A 17 0A 0 12,-2.6 12,-2.7 -2,-0.3 2,-0.6 -0.990 11.5-147.2-129.2 136.1 2.6 71.5 190.3 6 6 A V E -A 16 0A 23 142,-0.4 2,-0.6 -2,-0.4 142,-0.3 -0.915 16.0-142.8-106.5 117.3 3.1 75.0 191.8 7 7 A L E +A 15 0A 0 8,-3.1 8,-1.8 -2,-0.6 2,-0.3 -0.690 30.6 160.4 -85.1 118.9 3.9 74.9 195.5 8 8 A K B +E 146 0B 113 138,-2.2 138,-1.8 -2,-0.6 2,-0.2 -0.778 0.5 145.7-125.7 171.3 2.3 77.8 197.6 9 9 A G > - 0 0 35 -2,-0.3 2,-1.6 136,-0.2 3,-1.2 -0.633 58.1-100.2 158.7 141.9 1.6 78.2 201.3 10 10 A D T 3 S+ 0 0 126 1,-0.2 135,-0.1 -2,-0.2 -2,-0.0 0.018 102.7 84.1 -67.5 32.8 1.5 80.9 204.0 11 11 A A T 3 S- 0 0 55 -2,-1.6 -1,-0.2 133,-0.6 3,-0.1 0.422 103.9-109.2-117.8 0.9 4.9 79.7 205.1 12 12 A G S < S+ 0 0 62 -3,-1.2 2,-0.4 1,-0.4 -2,-0.1 0.547 85.6 116.4 83.8 3.3 7.3 81.6 202.9 13 13 A V + 0 0 6 131,-0.4 -2,-0.4 -4,-0.3 -1,-0.4 -0.871 36.4 148.9-104.7 140.9 8.2 78.3 201.1 14 14 A S E + C 0 35A 50 21,-2.0 21,-2.2 -2,-0.4 2,-0.3 -0.979 4.4 129.3-163.1 165.4 7.3 78.1 197.5 15 15 A G E -AC 7 34A 17 -8,-1.8 -8,-3.1 -2,-0.3 2,-0.4 -0.982 41.3 -90.7 165.8-176.2 8.3 76.5 194.2 16 16 A V E -AC 6 33A 52 17,-1.8 17,-1.6 -2,-0.3 2,-0.4 -0.983 20.6-162.8-133.9 142.5 7.5 74.4 191.1 17 17 A V E -AC 5 32A 0 -12,-2.7 -12,-2.6 -2,-0.4 2,-0.4 -0.986 10.0-160.9-124.7 128.9 7.6 70.7 190.3 18 18 A K E -AC 4 31A 124 13,-3.0 13,-2.6 -2,-0.4 2,-0.4 -0.873 2.4-161.3-115.7 146.7 7.6 69.3 186.8 19 19 A F E -AC 3 30A 1 -16,-2.5 -16,-2.3 -2,-0.4 2,-0.4 -0.978 6.0-176.0-126.1 136.6 6.8 65.8 185.5 20 20 A E E +AC 2 29A 106 9,-1.5 9,-3.3 -2,-0.4 2,-0.3 -0.999 10.3 161.4-132.7 131.0 7.7 64.2 182.2 21 21 A Q - 0 0 2 -20,-1.9 7,-0.1 -2,-0.4 3,-0.1 -0.848 20.5-168.8-154.5 115.4 6.6 60.7 181.0 22 22 A A S S+ 0 0 79 5,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.894 77.0 2.7 -70.3 -43.8 6.6 59.5 177.4 23 23 A S S S- 0 0 35 4,-0.2 -1,-0.2 1,-0.1 84,-0.1 -0.990 73.7-108.5-145.6 153.2 4.6 56.3 177.9 24 24 A E S S+ 0 0 82 -2,-0.3 83,-0.1 1,-0.2 -1,-0.1 0.852 118.3 47.4 -47.5 -43.4 2.8 54.6 180.8 25 25 A S S S+ 0 0 100 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.933 98.5 77.5 -67.1 -48.6 5.5 51.8 181.0 26 26 A E S S- 0 0 102 1,-0.1 2,-0.1 -3,-0.1 0, 0.0 -0.099 94.6 -91.7 -58.5 161.5 8.5 54.1 180.8 27 27 A P - 0 0 55 0, 0.0 -5,-0.4 0, 0.0 2,-0.3 -0.433 33.5-118.7 -79.2 153.9 9.5 55.9 184.0 28 28 A T E - D 0 101A 0 73,-2.0 73,-2.3 76,-0.7 2,-0.6 -0.697 21.4-138.2 -88.9 140.9 8.4 59.5 185.0 29 29 A T E -CD 20 100A 48 -9,-3.3 -9,-1.5 -2,-0.3 2,-0.4 -0.896 15.4-158.1-105.5 116.9 11.0 62.1 185.3 30 30 A V E -CD 19 99A 0 69,-3.0 69,-2.4 -2,-0.6 2,-0.4 -0.787 11.4-179.1 -95.9 134.9 10.5 64.4 188.3 31 31 A S E +CD 18 98A 55 -13,-2.6 -13,-3.0 -2,-0.4 2,-0.3 -0.987 9.4 172.4-131.5 140.5 12.2 67.8 188.3 32 32 A Y E -CD 17 97A 26 65,-2.8 65,-2.0 -2,-0.4 2,-0.3 -0.998 24.4-177.6-154.7 157.0 11.9 70.4 191.1 33 33 A E E +CD 16 96A 85 -17,-1.6 -17,-1.8 -2,-0.3 2,-0.4 -0.926 16.2 174.6-153.1 121.9 13.0 73.7 192.6 34 34 A I E -CD 15 95A 1 61,-3.1 61,-3.3 -2,-0.3 -19,-0.2 -0.977 6.1-174.1-140.5 125.4 11.8 75.0 196.0 35 35 A A E +C 14 0A 40 -21,-2.2 -21,-2.0 -2,-0.4 59,-0.2 -0.534 61.8 57.2-106.6 174.4 12.9 78.1 198.0 36 36 A G S S+ 0 0 49 56,-0.5 58,-0.1 1,-0.3 -1,-0.1 0.216 76.5 129.6 89.8 -16.3 11.9 79.3 201.5 37 37 A N S S- 0 0 16 56,-1.4 -1,-0.3 -3,-0.2 3,-0.1 -0.190 71.6 -83.2 -68.9 162.0 13.1 76.1 203.1 38 38 A S - 0 0 64 1,-0.1 3,-0.4 -3,-0.1 -1,-0.1 -0.323 58.4 -98.8 -60.7 148.5 15.4 75.9 206.1 39 39 A P S S+ 0 0 79 0, 0.0 52,-0.3 0, 0.0 51,-0.1 -0.418 94.1 0.6 -74.2 148.8 19.0 76.2 205.1 40 40 A N S S+ 0 0 93 50,-4.0 2,-0.3 1,-0.2 50,-0.2 0.892 104.6 113.3 40.2 67.0 21.2 73.0 204.7 41 41 A A - 0 0 25 48,-0.5 48,-1.6 -3,-0.4 2,-0.4 -0.938 64.3-110.2-153.5 172.8 18.5 70.5 205.6 42 42 A E E -F 88 0B 38 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.927 28.6-168.1-112.9 137.0 16.4 67.6 204.3 43 43 A R E -F 87 0B 34 44,-2.2 44,-2.0 -2,-0.4 80,-0.3 -0.984 25.9-109.7-129.2 134.6 12.6 67.9 203.8 44 44 A G E -F 86 0B 0 78,-2.9 76,-1.0 -2,-0.4 42,-0.2 -0.030 28.7-164.1 -50.5 164.1 10.0 65.2 203.2 45 45 A F E + G 0 119B 0 40,-1.1 39,-1.5 74,-0.2 2,-0.2 -0.602 18.3 163.0-160.2 88.0 8.4 65.2 199.7 46 46 A H E -FG 83 118B 0 72,-1.0 72,-2.8 37,-0.2 2,-0.6 -0.709 35.8-135.6-115.1 162.4 5.2 63.3 199.2 47 47 A I E - G 0 117B 0 35,-2.1 17,-2.9 -2,-0.2 70,-0.2 -0.965 28.9-146.2-114.5 111.5 2.3 63.0 196.7 48 48 A F E -HG 63 116B 6 68,-1.9 68,-0.6 -2,-0.6 15,-0.3 -0.448 20.8-114.7 -78.6 150.8 -1.0 62.8 198.5 49 49 A E S S+ 0 0 41 13,-3.1 2,-0.3 66,-0.2 12,-0.2 0.834 96.7 36.8 -53.1 -39.6 -3.9 60.7 197.2 50 50 A F - 0 0 4 10,-2.7 66,-1.4 12,-0.3 -2,-0.2 -0.747 58.0-153.4-115.6 163.1 -6.1 63.7 196.5 51 51 A G + 0 0 6 318,-1.6 2,-0.2 63,-0.4 319,-0.2 0.547 62.4 117.9-104.3 -14.7 -5.6 67.2 195.3 52 52 A D + 0 0 9 317,-1.9 3,-0.1 7,-0.3 -2,-0.1 -0.368 31.6 170.2 -58.2 117.5 -8.6 68.5 197.2 53 53 A A > + 0 0 34 -2,-0.2 3,-2.2 1,-0.1 733,-0.4 0.090 37.8 121.8-115.4 18.0 -7.5 71.1 199.7 54 54 A T T 3 S+ 0 0 20 1,-0.3 -1,-0.1 5,-0.1 733,-0.1 0.597 97.1 20.7 -59.1 -6.3 -11.0 72.3 200.6 55 55 A N T > S- 0 0 47 1,-0.3 3,-0.8 -3,-0.1 4,-0.5 -0.024 110.6-123.7-151.7 35.4 -10.0 71.2 204.1 56 56 A G T X> S- 0 0 7 -3,-2.2 4,-1.4 1,-0.2 3,-1.3 -0.008 78.5 -4.6 54.2-157.9 -6.3 71.1 204.0 57 57 A a H 3> S+ 0 0 7 1,-0.3 4,-0.7 725,-0.2 3,-0.5 0.790 132.6 59.6 -30.9 -47.2 -4.2 68.1 204.8 58 58 A V H X4 S+ 0 0 6 -3,-0.8 3,-1.0 725,-0.3 320,-0.3 0.893 104.5 44.5 -56.4 -49.8 -7.4 66.2 205.8 59 59 A S H <4 S+ 0 0 13 -3,-1.3 312,-0.4 -4,-0.5 -7,-0.3 0.715 104.8 66.9 -70.8 -18.0 -9.2 66.4 202.5 60 60 A A H 3< S- 0 0 8 -4,-1.4 -10,-2.7 -3,-0.5 -1,-0.2 0.715 94.5-152.0 -74.9 -19.5 -5.9 65.5 200.7 61 61 A G << - 0 0 0 -3,-1.0 -1,-0.2 -4,-0.7 3,-0.1 -0.289 32.1 -44.8 77.9-169.6 -6.0 62.0 202.2 62 62 A P S S- 0 0 55 0, 0.0 -13,-3.1 0, 0.0 -12,-0.3 -0.056 85.8 -51.9 -84.1-170.5 -2.9 59.9 202.9 63 63 A H B S-H 48 0B 3 -15,-0.3 2,-0.4 73,-0.2 -15,-0.3 -0.471 72.9 -93.3 -66.2 133.5 0.2 59.4 200.7 64 64 A F + 0 0 9 -17,-2.9 18,-1.6 -2,-0.2 17,-0.6 -0.284 58.9 168.4 -51.1 104.3 -1.0 58.2 197.3 65 65 A N > + 0 0 40 -2,-0.4 3,-1.7 15,-0.2 -1,-0.1 -0.525 12.1 161.4-124.6 66.2 -0.8 54.4 197.9 66 66 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.766 77.6 52.3 -57.2 -25.8 -2.6 52.6 195.0 67 67 A F T 3 S- 0 0 107 12,-0.1 12,-0.1 -3,-0.1 -3,-0.0 0.056 107.4-120.8-101.9 26.0 -0.8 49.3 195.9 68 68 A K < + 0 0 194 -3,-1.7 2,-0.2 1,-0.1 12,-0.1 0.843 63.2 135.5 39.8 58.7 -1.7 49.2 199.6 69 69 A K - 0 0 101 10,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.585 52.9 -93.0-120.8-175.7 1.8 49.1 201.0 70 70 A T - 0 0 64 -2,-0.2 66,-0.2 1,-0.1 10,-0.1 -0.522 50.0 -77.5 -97.8 170.0 3.6 50.9 203.9 71 71 A H + 0 0 3 64,-2.6 2,-0.3 8,-0.2 -1,-0.1 -0.337 64.6 143.6 -65.4 142.5 5.7 54.1 204.0 72 72 A G - 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