==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-FEB-08 3CE1 . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOCOCCUS LIQUEFACIENS; . AUTHOR A.H.TEH,S.KANAMASA,S.KAJIWARA,T.KUMASAKA . 150 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 34.7 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 13 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 1 2 1 1 1 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 . 0 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 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 5 A I 0 0 119 0, 0.0 20,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.4 17.5 49.7 45.8 2 6 A K E +AB 20 150A 81 148,-0.5 148,-2.7 18,-0.2 2,-0.3 -0.983 360.0 175.5-133.5 145.1 13.7 49.6 45.1 3 7 A A E -AB 19 149A 0 16,-2.6 16,-2.6 -2,-0.4 2,-0.3 -0.919 8.4-166.3-138.2 167.2 11.5 50.4 42.1 4 8 A I E -AB 18 148A 60 144,-2.2 144,-3.1 -2,-0.3 2,-0.3 -0.992 6.6-163.8-155.0 150.6 7.7 50.1 41.6 5 9 A A E -A 17 0A 2 12,-2.4 12,-2.5 -2,-0.3 2,-0.6 -0.997 12.8-147.4-139.0 142.4 5.2 50.1 38.8 6 10 A V E -A 16 0A 81 140,-0.4 2,-0.5 -2,-0.3 140,-0.3 -0.934 24.7-147.1-106.5 118.0 1.4 50.5 38.9 7 11 A L E +A 15 0A 0 8,-2.9 8,-1.6 -2,-0.6 2,-0.3 -0.766 32.5 142.7 -96.6 130.2 -0.1 48.5 36.0 8 12 A K B +F 144 0B 144 136,-2.1 136,-2.4 -2,-0.5 2,-0.3 -0.959 11.8 149.9-149.6 161.9 -3.3 49.6 34.2 9 13 A G - 0 0 36 2,-0.5 2,-1.7 4,-0.4 134,-0.2 -0.898 61.0 -50.2-167.0-160.5 -4.4 49.4 30.6 10 14 A D S S+ 0 0 168 131,-0.4 133,-0.1 -2,-0.3 131,-0.0 -0.441 114.7 56.2 -90.0 63.2 -7.3 49.1 28.2 11 15 A S S S- 0 0 43 -2,-1.7 -2,-0.5 2,-0.2 23,-0.0 -0.924 101.7 -93.0-174.1 172.8 -8.7 46.1 30.1 12 16 A P S S+ 0 0 93 0, 0.0 2,-0.1 0, 0.0 23,-0.1 0.566 83.7 118.9 -80.5 -6.8 -9.7 45.4 33.6 13 17 A V + 0 0 9 129,-0.2 -4,-0.4 21,-0.1 2,-0.3 -0.371 35.6 158.8 -68.5 133.0 -6.3 44.1 34.5 14 18 A Q E + C 0 33A 73 19,-1.6 19,-3.3 -6,-0.1 2,-0.3 -0.994 1.0 135.6-150.9 149.4 -4.5 46.0 37.3 15 19 A G E -AC 7 32A 2 -8,-1.6 -8,-2.9 -2,-0.3 2,-0.4 -0.986 41.4-111.1-173.1-175.9 -1.8 45.5 39.8 16 20 A V E -AC 6 31A 62 15,-1.6 15,-0.9 -2,-0.3 2,-0.5 -0.996 25.9-168.2-136.6 124.5 1.3 46.8 41.5 17 21 A I E -AC 5 30A 0 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.3 -0.965 3.7-159.8-118.3 129.9 4.7 45.2 41.0 18 22 A T E -AC 4 29A 37 11,-3.2 11,-2.4 -2,-0.5 2,-0.4 -0.806 0.9-160.1-106.5 152.7 7.8 45.9 43.1 19 23 A F E -AC 3 28A 0 -16,-2.6 -16,-2.6 -2,-0.3 2,-0.4 -0.999 11.7-178.5-130.7 126.6 11.5 45.4 42.2 20 24 A T E +AC 2 27A 56 7,-2.2 7,-2.9 -2,-0.4 2,-0.3 -0.980 3.7 174.7-130.4 148.3 14.2 45.1 44.7 21 25 A Q E C 0 26A 18 -20,-2.4 5,-0.1 -2,-0.4 -2,-0.0 -0.987 360.0 360.0-150.8 138.2 17.9 44.7 44.4 22 26 A E 0 0 210 3,-0.5 -20,-0.0 -2,-0.3 -2,-0.0 -0.296 360.0 360.0 -56.9 360.0 20.9 44.6 46.7 23 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 24 30 A G 0 0 73 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.2 22.9 40.8 42.2 25 31 A P - 0 0 56 0, 0.0 -3,-0.5 0, 0.0 2,-0.5 -0.196 360.0-125.4 -69.4 154.2 19.5 39.6 41.1 26 32 A V E -CD 21 99A 0 73,-2.9 73,-2.7 76,-0.2 2,-0.6 -0.855 17.7-142.7 -94.9 132.0 16.4 41.7 41.1 27 33 A T E -CD 20 98A 48 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.5 -0.870 14.0-162.9 -95.1 123.2 13.4 40.3 43.0 28 34 A V E +CD 19 97A 0 69,-3.1 69,-2.5 -2,-0.6 2,-0.3 -0.935 21.0 159.1-109.0 124.4 10.1 41.1 41.3 29 35 A S E +CD 18 96A 36 -11,-2.4 -11,-3.2 -2,-0.5 2,-0.3 -0.983 10.4 88.3-145.3 154.6 6.9 40.7 43.4 30 36 A G E -CD 17 95A 19 65,-1.5 65,-2.3 -2,-0.3 2,-0.4 -0.898 59.4 -79.1 149.0-175.6 3.3 41.8 43.6 31 37 A E E -CD 16 94A 83 -15,-0.9 -15,-1.6 -2,-0.3 2,-0.4 -0.975 23.7-165.4-123.5 137.7 -0.2 40.9 42.5 32 38 A I E -CD 15 93A 0 61,-2.2 61,-2.8 -2,-0.4 -17,-0.3 -0.992 21.4-166.2-119.0 129.9 -1.9 41.4 39.2 33 39 A K E +C 14 0A 84 -19,-3.3 -19,-1.6 -2,-0.4 59,-0.2 -0.682 53.3 39.2-121.5 165.9 -5.7 41.0 39.3 34 40 A N S S+ 0 0 90 56,-0.4 -1,-0.2 -2,-0.2 58,-0.2 0.704 78.7 135.6 67.3 26.6 -8.7 40.7 37.0 35 41 A M - 0 0 20 56,-2.5 -1,-0.2 -3,-0.2 84,-0.1 -0.385 67.6 -74.4 -88.3 172.1 -6.8 38.4 34.6 36 42 A D > - 0 0 97 -2,-0.1 3,-0.5 1,-0.1 2,-0.2 -0.381 60.1-104.9 -61.6 148.9 -8.2 35.2 33.1 37 43 A A T 3 S+ 0 0 49 1,-0.2 52,-0.2 52,-0.2 51,-0.1 -0.507 90.4 3.5 -80.3 148.4 -8.3 32.3 35.6 38 44 A N T 3 S+ 0 0 123 50,-1.9 -1,-0.2 -2,-0.2 2,-0.2 0.860 102.1 132.2 53.0 45.3 -5.9 29.4 35.7 39 45 A A < - 0 0 15 -3,-0.5 48,-2.5 49,-0.2 2,-0.4 -0.649 57.8-127.8-124.9 170.6 -3.8 30.8 32.9 40 46 A Q E -G 86 0B 72 46,-0.2 2,-0.4 -2,-0.2 46,-0.2 -0.997 30.9-174.7-122.2 130.8 -0.2 31.6 31.8 41 47 A R E -G 85 0B 39 44,-2.4 44,-2.7 -2,-0.4 80,-0.3 -0.985 27.7-108.1-136.7 135.7 0.4 35.1 30.6 42 48 A G E -G 84 0B 0 78,-2.6 76,-2.7 -2,-0.4 2,-0.4 -0.325 30.5-169.9 -68.9 140.4 3.5 36.8 29.2 43 49 A F E + H 0 117B 0 40,-2.5 39,-1.6 74,-0.2 2,-0.3 -0.985 17.3 158.1-137.1 115.0 5.3 39.3 31.4 44 50 A H E -GH 81 116B 0 72,-2.2 72,-2.6 -2,-0.4 2,-0.6 -0.993 42.7-122.3-144.5 148.2 8.0 41.5 30.0 45 51 A V E - H 0 115B 0 35,-2.5 17,-2.9 -2,-0.3 70,-0.2 -0.824 35.3-154.2 -86.3 122.8 9.9 44.7 30.4 46 52 A H E -IH 61 114B 0 68,-3.2 68,-1.8 -2,-0.6 15,-0.3 -0.633 20.8-112.5 -99.1 159.7 9.4 46.9 27.3 47 53 A Q S S+ 0 0 65 13,-3.0 2,-0.4 -2,-0.2 12,-0.2 0.847 88.9 54.3 -66.0 -43.7 11.9 49.5 26.2 48 54 A F - 0 0 94 10,-2.7 2,-0.6 12,-0.3 65,-0.2 -0.800 58.3-151.0-106.4 139.9 10.0 52.8 26.7 49 55 A G + 0 0 30 63,-0.8 2,-0.7 -2,-0.4 9,-0.1 -0.310 58.6 129.8 -90.3 47.7 8.4 54.3 29.7 50 56 A D + 0 0 72 -2,-0.6 3,-0.3 7,-0.3 -2,-0.1 -0.915 25.0 165.8-112.5 108.8 6.0 56.1 27.4 51 57 A N > + 0 0 87 -2,-0.7 3,-1.5 1,-0.2 -1,-0.1 0.116 44.8 109.7-106.3 17.1 2.4 55.7 28.3 52 58 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.765 90.3 33.9 -69.8 -24.7 1.1 58.5 26.1 53 59 A N T >> S- 0 0 104 1,-0.6 3,-1.2 -3,-0.3 4,-0.6 -0.393 121.0-109.5-116.6 48.0 -0.6 56.0 23.7 54 60 A G G X4 S- 0 0 35 -3,-1.5 3,-0.6 1,-0.2 -1,-0.6 -0.251 78.1 -25.2 58.3-144.3 -1.4 53.6 26.5 55 61 A a G >4 S+ 0 0 11 1,-0.2 3,-1.5 86,-0.2 -1,-0.2 0.698 129.0 75.8 -74.6 -17.0 0.6 50.4 26.5 56 62 A T G X4 S+ 0 0 98 -3,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.881 87.4 58.6 -63.7 -36.7 1.3 50.6 22.8 57 63 A S G << S+ 0 0 23 -3,-0.6 -1,-0.3 -4,-0.6 -7,-0.3 0.518 80.0 88.6 -75.0 0.3 3.9 53.4 23.2 58 64 A A G < S- 0 0 0 -3,-1.5 -10,-2.7 1,-0.2 -1,-0.3 0.648 83.1-155.8 -69.5 -12.9 6.0 51.1 25.4 59 65 A G < - 0 0 17 -3,-1.4 -1,-0.2 -12,-0.2 3,-0.1 -0.277 34.3 -22.9 74.8-159.8 7.7 49.9 22.3 60 66 A P S S- 0 0 69 0, 0.0 -13,-3.0 0, 0.0 -12,-0.3 -0.115 87.6 -63.5 -80.8 179.1 9.4 46.5 21.8 61 67 A H B -I 46 0B 4 73,-0.3 2,-0.3 -15,-0.3 -15,-0.3 -0.366 62.6 -96.2 -59.9 143.2 11.0 44.3 24.5 62 68 A F + 0 0 7 -17,-2.9 18,-2.3 52,-0.2 19,-0.2 -0.483 57.3 165.7 -63.5 120.9 13.8 45.9 26.4 63 69 A N > + 0 0 50 -2,-0.3 3,-1.8 16,-0.2 -1,-0.1 -0.443 15.4 157.5-146.1 60.2 16.8 44.4 24.5 64 70 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 0.728 80.3 54.9 -67.5 -20.4 20.1 46.2 25.2 65 71 A T T 3 S- 0 0 77 -3,-0.1 -3,-0.0 2,-0.0 -2,-0.0 0.424 106.6-126.9 -92.3 0.7 22.1 43.1 24.1 66 72 A G < + 0 0 63 -3,-1.8 2,-0.2 1,-0.1 12,-0.1 0.912 61.4 130.1 62.4 44.9 20.4 43.0 20.7 67 73 A T - 0 0 46 1,-0.1 2,-0.2 10,-0.1 -1,-0.1 -0.441 55.7 -85.5-116.1-168.5 19.2 39.4 20.8 68 74 A N - 0 0 80 -2,-0.2 66,-0.2 1,-0.1 2,-0.1 -0.589 47.7 -84.5-103.9 165.1 16.0 37.4 20.2 69 75 A H + 0 0 4 64,-2.4 2,-0.3 8,-0.2 66,-0.1 -0.372 55.2 148.0 -69.1 142.4 13.0 36.6 22.4 70 76 A G - 0 0 2 8,-0.1 13,-0.4 -2,-0.1 8,-0.2 -0.928 47.9 -67.7-155.6 180.0 13.0 33.6 24.8 71 77 A D > - 0 0 43 53,-0.6 3,-1.6 -2,-0.3 10,-0.1 -0.344 52.1-105.6 -66.8 159.4 11.8 32.3 28.1 72 78 A R T 3 S+ 0 0 90 1,-0.3 -1,-0.1 8,-0.1 9,-0.1 0.828 122.5 42.8 -54.7 -35.9 13.1 33.8 31.3 73 79 A T T 3 S+ 0 0 105 3,-0.1 -1,-0.3 9,-0.0 2,-0.1 0.418 94.2 111.4 -93.2 0.9 15.3 30.7 31.9 74 80 A A S < S- 0 0 34 -3,-1.6 -4,-0.1 2,-0.1 3,-0.1 -0.380 72.0-127.7 -81.3 157.6 16.5 30.4 28.3 75 81 A E S S+ 0 0 193 1,-0.2 2,-0.7 -2,-0.1 -1,-0.1 0.881 102.9 48.4 -64.1 -44.7 20.0 30.9 26.9 76 82 A V S S+ 0 0 72 -7,-0.1 2,-0.3 -9,-0.0 -1,-0.2 -0.916 81.2 126.1-102.9 112.5 18.7 33.3 24.2 77 83 A R - 0 0 7 -2,-0.7 -8,-0.2 -7,-0.1 2,-0.2 -0.980 59.6-101.7-157.8 154.8 16.4 35.9 25.7 78 84 A H > - 0 0 8 -2,-0.3 3,-2.1 -8,-0.2 -15,-0.2 -0.494 37.2-117.1 -67.3 148.1 15.9 39.7 25.8 79 85 A V T 3 S+ 0 0 2 1,-0.3 -16,-0.2 -2,-0.2 -1,-0.1 0.893 117.9 55.7 -52.9 -36.0 16.9 41.3 29.1 80 86 A G T 3 S+ 0 0 0 -18,-2.3 -35,-2.5 -35,-0.1 2,-0.8 0.465 79.6 115.3 -78.1 2.3 13.2 42.2 29.5 81 87 A D E < +G 44 0B 0 -3,-2.1 -37,-0.2 -37,-0.2 20,-0.1 -0.619 27.3 163.0 -84.1 108.7 12.0 38.6 29.1 82 88 A L E - 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