==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-MAR-01 1IBD . COMPND 2 MOLECULE: CU,ZN SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTOBACTERIUM LEIOGNATHI; . AUTHOR M.E.STROPPOLO,A.PESCE,M.D'ORAZIO,P.O'NEILL,D.BORDO,C.ROSANO, . 151 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 0 0.0 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 . 12 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 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 PARALLEL BRIDGES PER LADDER . 3 1 3 1 2 0 0 1 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 . 2 0 0 0 0 0 0 0 1 0 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 Q 0 0 229 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 43.5 14.3 38.6 36.5 2 2 A D + 0 0 125 2,-0.1 19,-0.3 20,-0.0 0, 0.0 0.704 360.0 178.8-116.0 -63.4 17.7 39.8 35.3 3 3 A L - 0 0 103 1,-0.1 18,-0.7 17,-0.1 2,-0.3 0.926 9.8-161.9 52.5 102.5 19.5 36.9 33.7 4 4 A T E -A 20 0A 66 16,-0.2 2,-0.6 146,-0.0 147,-0.3 -0.696 17.4-122.4-105.1 161.1 22.9 37.9 32.3 5 5 A V E -A 19 0A 5 14,-3.0 14,-2.3 -2,-0.3 2,-0.3 -0.916 16.7-146.0-114.8 112.8 24.8 35.7 29.8 6 6 A K E -A 18 0A 140 -2,-0.6 2,-0.4 143,-0.3 143,-0.3 -0.546 15.8-151.5 -73.9 133.3 28.2 34.4 30.6 7 7 A M E -A 17 0A 1 10,-3.1 9,-2.7 -2,-0.3 10,-0.7 -0.899 8.6-164.7-112.1 137.4 30.6 34.2 27.7 8 8 A T E -AB 15 147A 52 139,-2.7 139,-2.2 -2,-0.4 2,-0.4 -0.947 25.7-116.7-122.7 139.3 33.4 31.7 27.3 9 9 A D E > - B 0 146A 26 5,-2.4 4,-2.4 -2,-0.4 137,-0.3 -0.594 21.1-148.9 -71.8 125.2 36.3 31.8 24.8 10 10 A L T 4 S+ 0 0 35 135,-2.4 -1,-0.2 -2,-0.4 136,-0.1 0.806 92.8 47.7 -67.4 -30.6 36.0 28.7 22.6 11 11 A Q T 4 S+ 0 0 149 134,-0.6 -1,-0.2 1,-0.1 135,-0.1 0.874 125.9 24.5 -80.0 -38.3 39.7 28.3 22.1 12 12 A T T 4 S- 0 0 86 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.712 89.2-135.6 -99.4 -25.2 40.8 28.6 25.7 13 13 A G < + 0 0 51 -4,-2.4 -3,-0.1 1,-0.3 -2,-0.0 0.462 62.2 130.2 81.6 0.1 37.7 27.6 27.6 14 14 A K - 0 0 148 -5,-0.1 -5,-2.4 1,-0.1 -1,-0.3 -0.648 66.1-103.1 -90.7 144.4 38.2 30.5 30.0 15 15 A P E -A 8 0A 91 0, 0.0 -7,-0.2 0, 0.0 3,-0.1 -0.308 29.9-174.3 -62.0 145.2 35.5 33.0 30.9 16 16 A V E - 0 0 8 -9,-2.7 19,-1.9 1,-0.5 2,-0.3 0.257 51.6 -82.0-124.6 9.9 35.7 36.3 29.1 17 17 A G E -AC 7 34A 28 -10,-0.7 -10,-3.1 17,-0.2 -1,-0.5 -0.813 50.0 -76.0 124.5-166.2 32.9 38.2 30.8 18 18 A T E -AC 6 33A 48 15,-1.4 15,-1.8 -2,-0.3 2,-0.4 -0.886 20.3-141.3-134.6 164.8 29.1 38.5 30.4 19 19 A I E -AC 5 32A 0 -14,-2.3 -14,-3.0 -2,-0.3 2,-0.5 -0.998 16.6-144.9-128.5 129.0 26.5 40.2 28.2 20 20 A E E -AC 4 31A 89 11,-2.8 11,-3.1 -2,-0.4 2,-0.5 -0.819 11.6-159.0 -96.6 132.1 23.4 41.7 29.7 21 21 A L E + C 0 30A 9 -18,-0.7 2,-0.4 -2,-0.5 9,-0.2 -0.950 14.0 176.8-112.9 130.8 20.2 41.4 27.6 22 22 A S E - C 0 29A 43 7,-1.9 7,-2.6 -2,-0.5 2,-0.4 -0.992 24.2-132.2-137.5 142.8 17.3 43.8 28.2 23 23 A Q E + C 0 28A 91 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.754 32.3 163.4 -93.7 136.5 14.0 44.3 26.6 24 24 A N E > - C 0 27A 58 3,-2.6 3,-1.5 -2,-0.4 -2,-0.0 -0.880 55.1 -87.1-141.6 172.7 12.8 47.8 25.7 25 25 A K T 3 S+ 0 0 165 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.549 126.5 45.6 -62.0 -7.9 10.1 49.3 23.4 26 26 A Y T 3 S- 0 0 158 1,-0.3 2,-0.3 83,-0.0 -1,-0.3 0.454 122.8 -84.1-113.7 -4.0 12.5 49.2 20.4 27 27 A G E < -C 24 0A 4 -3,-1.5 -3,-2.6 84,-0.1 2,-0.6 -0.991 68.8 -25.3 142.8-151.4 13.9 45.7 20.9 28 28 A V E -CD 23 109A 0 81,-2.0 81,-2.1 -2,-0.3 2,-0.4 -0.925 50.7-152.1-108.8 119.4 16.6 43.8 22.8 29 29 A A E -CD 22 108A 18 -7,-2.6 -7,-1.9 -2,-0.6 2,-0.6 -0.735 5.4-151.6 -90.0 135.5 19.7 45.8 23.9 30 30 A F E -CD 21 107A 0 77,-4.0 77,-1.9 -2,-0.4 -9,-0.2 -0.934 9.5-169.5-111.3 111.7 22.9 43.8 24.3 31 31 A I E -C 20 0A 55 -11,-3.1 -11,-2.8 -2,-0.6 2,-0.2 -0.862 11.6-156.1-106.3 102.4 25.3 45.3 26.9 32 32 A P E +C 19 0A 1 0, 0.0 -13,-0.2 0, 0.0 -15,-0.0 -0.467 24.2 175.5 -81.0 148.5 28.7 43.6 26.7 33 33 A E E +C 18 0A 115 -15,-1.8 -15,-1.4 -2,-0.2 2,-0.2 -0.597 37.9 142.1-145.6 66.1 31.2 43.5 29.6 34 34 A L E -CE 17 103A 6 69,-1.9 69,-1.5 -17,-0.2 2,-0.3 -0.721 26.4-177.5-114.1 165.5 33.9 41.3 27.9 35 35 A A + 0 0 29 -19,-1.9 67,-0.2 -2,-0.2 66,-0.1 -0.909 56.2 50.7-150.5 171.7 37.7 41.2 27.8 36 36 A D S S+ 0 0 121 64,-0.4 2,-0.3 -2,-0.3 66,-0.1 0.830 77.1 132.2 62.5 36.6 40.5 39.3 26.1 37 37 A L - 0 0 12 64,-1.8 -1,-0.2 61,-0.1 3,-0.1 -0.806 65.4 -97.1-115.7 157.2 39.1 39.8 22.6 38 38 A T - 0 0 86 -2,-0.3 59,-0.1 -3,-0.1 62,-0.1 -0.593 47.5-107.4 -76.4 128.4 40.9 40.9 19.4 39 39 A P S S+ 0 0 73 0, 0.0 2,-0.2 0, 0.0 59,-0.2 -0.147 80.2 52.8 -51.5 147.5 40.4 44.6 18.8 40 40 A G E S-J 97 0B 30 57,-2.6 57,-1.8 -3,-0.1 2,-0.4 -0.672 96.8 -36.7 119.6-175.5 38.1 45.5 15.9 41 41 A M E -J 96 0B 98 -2,-0.2 2,-0.4 55,-0.2 55,-0.2 -0.702 55.5-162.0 -88.6 135.8 34.6 44.6 14.8 42 42 A H E -J 95 0B 4 53,-2.3 53,-2.5 -2,-0.4 86,-0.3 -0.957 25.4-109.3-123.7 137.7 33.3 41.1 15.4 43 43 A G - 0 0 0 84,-3.0 82,-3.2 -2,-0.4 2,-0.4 -0.379 39.6-172.9 -60.1 135.8 30.5 39.2 13.9 44 44 A F E +F 124 0A 0 48,-0.4 48,-1.3 80,-0.2 2,-0.3 -0.968 13.8 151.8-139.5 114.3 27.8 38.8 16.6 45 45 A H E -FG 123 91A 0 78,-1.7 78,-2.5 -2,-0.4 2,-0.4 -0.970 44.1-115.0-144.0 160.3 24.7 36.7 16.1 46 46 A I E -F 122 0A 0 44,-2.4 25,-3.0 -2,-0.3 2,-0.3 -0.786 40.1-144.3 -91.3 138.0 22.1 34.6 18.0 47 47 A H E -FH 121 70A 0 74,-3.1 74,-1.1 -2,-0.4 23,-0.2 -0.716 15.0-120.2-107.8 159.3 22.3 30.9 17.0 48 48 A Q S S+ 0 0 78 21,-2.9 20,-0.2 -2,-0.3 2,-0.2 0.932 89.5 58.4 -57.9 -56.8 19.8 28.2 16.6 49 49 A N S S- 0 0 78 18,-3.4 2,-1.4 20,-0.2 72,-0.3 -0.514 77.1-129.2 -86.2 148.0 20.9 25.6 19.2 50 50 A G S S+ 0 0 41 -2,-0.2 2,-0.3 70,-0.2 70,-0.1 -0.401 77.9 88.7 -89.5 60.0 21.4 26.2 22.9 51 51 A S - 0 0 39 -2,-1.4 -2,-0.1 97,-0.1 97,-0.1 -0.993 52.3-165.3-154.8 148.0 24.9 24.8 23.1 52 52 A a + 0 0 32 -2,-0.3 12,-0.5 14,-0.1 13,-0.1 0.280 55.6 121.6-115.8 7.0 28.4 26.1 22.7 53 53 A A - 0 0 55 11,-0.2 13,-2.4 1,-0.1 14,-0.4 -0.101 68.4 -92.2 -64.1 167.0 30.0 22.6 22.4 54 54 A S - 0 0 68 10,-0.2 2,-0.2 11,-0.2 9,-0.2 -0.252 36.3-159.6 -79.5 169.1 32.0 21.7 19.3 55 55 A S E -K 62 0C 34 7,-1.8 7,-2.6 10,-0.1 2,-0.4 -0.770 14.9-116.1-136.3-177.9 30.8 20.0 16.1 56 56 A E E +K 61 0C 127 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.989 22.3 179.3-133.0 135.1 32.3 18.1 13.3 57 57 A K E > S-K 60 0C 133 3,-2.2 3,-2.3 -2,-0.4 -2,-0.0 -0.921 73.5 -34.3-138.8 110.8 32.6 18.9 9.5 58 58 A D T 3 S- 0 0 169 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.839 125.3 -43.7 47.0 42.8 34.3 16.5 7.1 59 59 A G T 3 S+ 0 0 69 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.310 115.6 110.8 90.8 -9.2 36.9 15.5 9.7 60 60 A K E < -K 57 0C 164 -3,-2.3 -3,-2.2 2,-0.0 2,-0.3 -0.799 68.2-118.9-104.0 144.1 37.6 18.9 11.1 61 61 A V E -K 56 0C 108 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.605 21.5-159.3 -80.1 132.6 36.7 20.2 14.6 62 62 A V E > -K 55 0C 36 -7,-2.6 3,-2.4 -2,-0.3 -7,-1.8 -0.884 14.0-139.7-117.6 99.2 34.3 23.2 14.6 63 63 A L T 3 S+ 0 0 47 -2,-0.6 81,-0.4 1,-0.3 -9,-0.2 -0.338 90.4 6.6 -56.9 129.3 34.5 25.1 17.9 64 64 A G T > S+ 0 0 0 -12,-0.5 3,-1.3 -54,-0.1 -1,-0.3 0.649 91.0 132.6 70.1 15.0 31.0 26.1 19.0 65 65 A G G X + 0 0 10 -3,-2.4 3,-1.9 1,-0.3 -11,-0.2 0.771 55.5 72.2 -69.4 -25.2 29.7 24.2 16.0 66 66 A A G 3 S+ 0 0 29 -13,-2.4 -1,-0.3 -4,-0.3 -12,-0.1 0.628 81.6 74.2 -65.5 -12.1 27.0 22.5 18.2 67 67 A A G < S- 0 0 0 -3,-1.3 -18,-3.4 -14,-0.4 -1,-0.3 0.670 93.2-150.1 -75.2 -14.8 25.2 25.9 18.3 68 68 A G < - 0 0 20 -3,-1.9 -1,-0.2 -20,-0.2 3,-0.1 -0.373 35.1 -33.1 78.6-161.4 24.1 25.3 14.7 69 69 A G S S- 0 0 37 1,-0.2 -21,-2.9 -22,-0.1 -20,-0.2 -0.108 85.7 -54.6 -86.9-174.1 23.5 28.2 12.3 70 70 A H B S-H 47 0A 7 -23,-0.2 -23,-0.3 1,-0.1 -1,-0.2 -0.361 70.1 -92.6 -61.9 138.4 22.2 31.7 12.7 71 71 A Y + 0 0 20 -25,-3.0 19,-2.3 50,-0.2 18,-0.3 -0.358 55.3 170.5 -53.6 118.9 18.8 31.8 14.5 72 72 A D > + 0 0 10 16,-0.2 3,-1.6 17,-0.2 -1,-0.1 -0.569 12.9 163.0-139.2 72.1 16.4 31.8 11.5 73 73 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.629 81.2 51.0 -64.8 -16.7 12.8 31.3 12.8 74 74 A E T 3 S- 0 0 111 13,-0.1 14,-0.0 0, 0.0 -2,-0.0 0.237 107.3-125.4-105.6 11.1 11.3 32.6 9.4 75 75 A H < + 0 0 153 -3,-1.6 13,-0.0 1,-0.1 -3,-0.0 0.893 55.6 151.9 43.7 55.3 13.5 30.2 7.3 76 76 A T - 0 0 15 2,-0.1 -1,-0.1 9,-0.1 3,-0.1 0.782 37.4-154.3 -80.4 -31.0 14.9 33.0 5.2 77 77 A N + 0 0 126 1,-0.2 2,-0.3 -5,-0.1 10,-0.1 0.766 59.4 103.8 59.3 26.7 18.2 31.1 4.6 78 78 A K - 0 0 109 60,-0.0 10,-2.8 54,-0.0 2,-0.5 -0.964 66.2-133.8-138.1 154.3 19.9 34.4 4.1 79 79 A H + 0 0 10 -2,-0.3 54,-0.2 8,-0.2 2,-0.2 -0.929 45.0 128.0-110.6 127.6 22.2 36.7 6.1 80 80 A G - 0 0 6 -2,-0.5 52,-0.2 8,-0.2 51,-0.1 -0.549 49.7 -34.4-147.8-146.3 21.5 40.4 6.3 81 81 A F > - 0 0 80 -2,-0.2 3,-1.0 50,-0.2 10,-0.2 -0.314 44.3-118.6 -88.0 166.9 21.0 43.4 8.5 82 82 A P T 3 S+ 0 0 2 0, 0.0 29,-0.5 0, 0.0 -1,-0.1 0.710 117.6 47.1 -76.3 -14.2 19.5 43.8 12.0 83 83 A W T 3 S+ 0 0 169 27,-0.1 2,-0.4 26,-0.1 9,-0.0 0.138 95.9 86.3-110.8 17.9 16.8 46.0 10.4 84 84 A T < - 0 0 48 -3,-1.0 3,-0.3 1,-0.1 -4,-0.1 -0.948 60.4-155.1-117.7 139.8 15.9 43.9 7.4 85 85 A D S S+ 0 0 107 -2,-0.4 2,-1.3 1,-0.2 -1,-0.1 0.767 78.5 75.2 -87.6 -27.1 13.3 41.2 7.6 86 86 A D S S+ 0 0 102 2,-0.0 2,-0.3 -9,-0.0 -1,-0.2 -0.159 94.6 56.8 -82.5 46.0 14.3 38.8 4.7 87 87 A N S S- 0 0 8 -2,-1.3 -8,-0.2 -3,-0.3 -13,-0.1 -0.973 103.3 -40.6-161.5 169.9 17.2 37.3 6.7 88 88 A H > - 0 0 16 -10,-2.8 3,-1.5 -2,-0.3 -16,-0.2 -0.043 41.8-145.9 -39.4 125.8 18.2 35.6 9.9 89 89 A K T 3 S+ 0 0 48 -18,-0.3 -17,-0.2 1,-0.3 -1,-0.2 0.715 98.4 65.3 -69.5 -17.6 16.3 37.1 12.8 90 90 A G T 3 S+ 0 0 0 -19,-2.3 -44,-2.4 -44,-0.1 2,-0.7 0.445 70.4 118.5 -84.9 1.1 19.5 36.4 14.8 91 91 A D B < -G 45 0A 2 -3,-1.5 -46,-0.2 -20,-0.2 3,-0.0 -0.569 44.1-177.4 -72.1 110.8 21.6 38.8 12.9 92 92 A L - 0 0 0 -48,-1.3 -48,-0.4 -2,-0.7 17,-0.1 -0.601 35.2 -86.9-106.0 166.9 22.8 41.5 15.3 93 93 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.444 61.2 -90.8 -68.5 150.2 24.9 44.6 14.8 94 94 A A - 0 0 11 35,-0.2 2,-0.5 1,-0.1 -51,-0.2 -0.213 39.7-120.4 -61.6 150.4 28.7 43.8 15.0 95 95 A L E -J 42 0B 1 -53,-2.5 -53,-2.3 -3,-0.1 2,-0.3 -0.834 20.7-137.6 -99.2 130.0 30.4 44.1 18.3 96 96 A F E -J 41 0B 86 -2,-0.5 9,-0.5 9,-0.3 2,-0.5 -0.672 13.3-165.1 -90.1 136.4 33.3 46.5 18.8 97 97 A V E -J 40 0B 2 -57,-1.8 -57,-2.6 -2,-0.3 6,-0.2 -0.983 18.1-132.0-122.0 124.6 36.4 45.5 20.8 98 98 A S > - 0 0 34 4,-3.2 3,-2.7 -2,-0.5 -61,-0.1 -0.125 31.9 -97.3 -69.5 167.9 38.9 48.2 21.9 99 99 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.815 127.0 59.3 -55.4 -30.2 42.6 48.2 21.5 100 100 A N T 3 S- 0 0 105 2,-0.1 -64,-0.4 -62,-0.1 -1,-0.3 0.287 123.0-108.1 -82.8 11.1 42.8 46.9 25.1 101 101 A G S < S+ 0 0 7 -3,-2.7 -64,-1.8 1,-0.2 2,-0.4 0.729 75.4 135.5 70.8 23.0 40.7 43.9 24.0 102 102 A L - 0 0 63 -67,-0.2 -4,-3.2 -66,-0.1 2,-0.5 -0.848 41.8-156.8-109.4 142.9 37.5 45.1 25.8 103 103 A A B +E 34 0A 0 -69,-1.5 -69,-1.9 -2,-0.4 -6,-0.2 -0.958 36.5 136.2-118.6 114.4 33.9 45.1 24.5 104 104 A T + 0 0 80 -2,-0.5 -1,-0.1 -8,-0.3 -7,-0.1 0.318 31.5 116.5-136.0 1.1 31.6 47.6 26.2 105 105 A N - 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