==== 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 18-AUG-05 2AQP . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR M.DIDONATO,C.J.KASSMANN,C.K.BRUNS,D.E.CABELLI,Z.CAO,L.B.TABA . 310 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 64.8 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 . 106 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 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 . 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 . 6 2 6 2 0 2 0 4 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 . 4 0 0 0 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 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 32 A A 0 0 101 0, 0.0 25,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 126.0 -0.0 5.3 18.8 2 33 A S E -A 25 0A 73 23,-0.2 2,-0.5 2,-0.0 23,-0.2 -0.990 360.0-141.0-152.1 161.4 3.1 3.3 19.8 3 34 A I E -A 24 0A 5 21,-2.3 21,-3.0 -2,-0.3 2,-0.6 -0.990 17.5-153.6-119.0 126.1 4.6 0.3 21.6 4 35 A E E -A 23 0A 143 -2,-0.5 2,-0.6 19,-0.2 19,-0.2 -0.867 13.4-162.3 -96.5 118.4 7.9 0.8 23.5 5 36 A V E -A 22 0A 2 17,-2.7 17,-2.0 -2,-0.6 2,-0.4 -0.900 12.3-138.4-107.2 124.6 9.8 -2.4 23.7 6 37 A K E -A 21 0A 124 -2,-0.6 147,-0.4 147,-0.4 2,-0.4 -0.680 23.8-158.1 -77.3 128.1 12.6 -2.8 26.2 7 38 A V E -A 20 0A 1 13,-3.2 12,-2.4 -2,-0.4 13,-0.8 -0.911 9.8-171.1-117.0 139.0 15.6 -4.6 24.7 8 39 A Q E -AB 18 151A 57 143,-2.4 143,-2.3 -2,-0.4 2,-0.4 -0.974 27.2-122.7-122.9 141.3 18.4 -6.5 26.4 9 40 A Q E -AB 17 150A 51 8,-2.9 8,-2.1 -2,-0.4 2,-0.5 -0.663 43.1-122.2 -70.1 134.4 21.6 -7.9 25.3 10 41 A L + 0 0 19 139,-2.5 56,-0.1 -2,-0.4 6,-0.1 -0.694 45.3 152.9 -96.1 127.9 21.4 -11.6 26.1 11 42 A D > - 0 0 44 -2,-0.5 4,-1.7 1,-0.1 54,-0.1 -0.750 18.9-174.4-154.0 93.7 23.9 -13.3 28.4 12 43 A P T 4 S+ 0 0 52 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.578 87.8 42.2 -67.4 -9.1 22.8 -16.4 30.3 13 44 A V T 4 S+ 0 0 125 2,-0.1 3,-0.1 51,-0.0 -2,-0.1 0.855 126.1 23.0 -98.9 -57.3 26.1 -16.5 32.1 14 45 A N T 4 S- 0 0 136 1,-0.2 2,-0.0 0, 0.0 -3,-0.0 0.547 118.9 -91.5 -93.8 -8.3 27.2 -13.0 33.1 15 46 A G < - 0 0 41 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.1 0.156 39.9 -80.0 111.1 137.9 23.7 -11.5 33.0 16 47 A N - 0 0 63 -6,-0.1 2,-0.4 -4,-0.1 -6,-0.2 -0.287 44.7-142.8 -63.1 153.7 21.5 -9.7 30.5 17 48 A K E -A 9 0A 79 -8,-2.1 -8,-2.9 22,-0.0 2,-0.2 -0.977 13.2-119.2-123.9 132.1 22.3 -6.0 29.9 18 49 A D E +A 8 0A 83 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.509 34.5 169.8 -61.0 129.6 19.8 -3.2 29.2 19 50 A V E - 0 0 0 -12,-2.4 19,-2.0 1,-0.4 2,-0.3 0.304 46.2 -99.0-126.8 9.2 20.6 -1.7 25.8 20 51 A G E -AC 7 37A 26 -13,-0.8 -13,-3.2 17,-0.2 -1,-0.4 -0.867 47.1 -54.9 119.2-151.8 17.6 0.6 25.2 21 52 A T E -AC 6 36A 29 15,-1.8 15,-3.0 -2,-0.3 2,-0.4 -0.863 16.5-146.6-132.3 161.8 14.3 0.4 23.3 22 53 A V E -AC 5 35A 0 -17,-2.0 -17,-2.7 -2,-0.3 2,-0.5 -0.995 24.4-154.9-124.4 126.0 12.7 -0.2 20.0 23 54 A T E -AC 4 34A 33 11,-2.6 11,-3.1 -2,-0.4 2,-0.5 -0.895 3.6-153.6-106.2 126.2 9.6 1.9 19.5 24 55 A I E +AC 3 33A 0 -21,-3.0 -21,-2.3 -2,-0.5 2,-0.3 -0.884 20.2 169.6-103.8 127.9 6.9 0.6 17.1 25 56 A T E -AC 2 32A 44 7,-2.3 7,-2.6 -2,-0.5 2,-0.4 -0.883 32.8-110.5-129.4 163.5 4.6 3.1 15.4 26 57 A E E + C 0 31A 91 -25,-0.8 2,-0.3 -2,-0.3 5,-0.2 -0.805 32.3 179.1 -94.1 135.8 2.1 3.0 12.6 27 58 A S E > - C 0 30A 27 3,-1.3 3,-1.7 -2,-0.4 216,-0.1 -0.873 46.2-104.0-121.6 167.3 2.8 4.7 9.3 28 59 A N T 3 S+ 0 0 135 214,-0.4 3,-0.1 -2,-0.3 215,-0.1 0.578 124.3 46.6 -63.5 -5.7 0.6 4.9 6.2 29 60 A Y T 3 S- 0 0 46 1,-0.5 -1,-0.3 213,-0.1 2,-0.2 0.335 126.3 -76.1-117.7 2.4 3.0 2.3 4.7 30 61 A G E < S-C 27 0A 2 -3,-1.7 -3,-1.3 86,-0.2 -1,-0.5 -0.720 75.2 -22.7 129.0-174.3 3.2 -0.2 7.6 31 62 A L E -CD 26 112A 0 84,-1.9 81,-3.1 81,-1.1 2,-0.4 -0.469 52.3-150.0 -78.0 137.3 4.9 -0.5 11.0 32 63 A V E -CD 25 111A 3 -7,-2.6 -7,-2.3 79,-0.2 2,-0.6 -0.901 2.2-156.0-107.9 131.6 8.0 1.6 11.7 33 64 A F E -CD 24 110A 0 77,-2.9 77,-2.0 -2,-0.4 -9,-0.2 -0.948 11.2-171.9-112.3 109.2 10.6 0.2 14.2 34 65 A T E -C 23 0A 48 -11,-3.1 -11,-2.6 -2,-0.6 2,-0.2 -0.905 9.1-153.4-110.5 108.4 12.7 3.0 15.7 35 66 A P E +C 22 0A 4 0, 0.0 -13,-0.2 0, 0.0 2,-0.1 -0.516 21.3 179.4 -80.3 148.8 15.7 1.9 17.8 36 67 A D E +C 21 0A 106 -15,-3.0 -15,-1.8 -2,-0.2 2,-0.3 -0.706 37.4 148.1-137.3 80.1 17.2 3.8 20.6 37 68 A L E +CE 20 106A 2 69,-2.4 69,-2.0 -17,-0.2 2,-0.3 -0.815 24.9 179.4-119.6 156.8 19.9 1.3 21.5 38 69 A Q + 0 0 102 -19,-2.0 67,-0.2 -2,-0.3 66,-0.1 -0.965 58.9 40.9-145.0 160.0 23.5 1.4 22.9 39 70 A G S S+ 0 0 27 64,-0.3 2,-0.3 -2,-0.3 66,-0.2 0.615 77.2 128.8 82.7 13.2 26.1 -1.1 23.9 40 71 A L - 0 0 6 64,-2.1 -1,-0.3 -21,-0.1 2,-0.1 -0.696 68.7 -91.3-102.3 154.7 25.7 -3.5 21.0 41 72 A S - 0 0 77 -2,-0.3 59,-0.1 1,-0.1 62,-0.1 -0.394 51.3-108.3 -63.5 133.7 28.3 -4.9 18.7 42 73 A A S S+ 0 0 27 60,-0.3 2,-0.3 -2,-0.1 59,-0.2 -0.289 71.7 71.1 -65.0 142.5 28.7 -2.7 15.6 43 74 A G E S-J 100 0B 14 57,-2.3 57,-3.0 58,-0.1 2,-0.6 -0.839 86.9 -57.0 142.7 175.3 27.4 -4.0 12.3 44 75 A L E -J 99 0B 25 -2,-0.3 2,-0.4 55,-0.2 55,-0.2 -0.876 59.8-166.7 -91.8 122.7 24.3 -4.8 10.2 45 76 A H E -J 98 0B 5 53,-2.8 53,-2.7 -2,-0.6 87,-0.3 -0.894 25.6-105.7-123.8 137.8 22.3 -7.3 12.2 46 77 A G - 0 0 0 85,-2.6 83,-2.7 -2,-0.4 2,-0.4 -0.322 37.5-167.6 -56.0 141.2 19.3 -9.6 11.4 47 78 A F E +F 128 0A 1 48,-0.4 48,-1.2 81,-0.2 2,-0.3 -0.970 17.3 150.7-143.2 111.0 16.2 -8.2 12.9 48 79 A H E -FG 127 94A 0 79,-1.9 79,-2.9 -2,-0.4 2,-0.5 -0.979 45.9-112.5-143.8 156.1 13.0 -10.3 13.1 49 80 A I E -F 126 0A 0 44,-2.4 25,-3.0 -2,-0.3 2,-0.3 -0.803 37.4-155.0 -82.7 128.6 9.8 -10.9 15.0 50 81 A H E -FH 125 73A 0 75,-2.4 75,-1.8 -2,-0.5 23,-0.2 -0.673 20.9-112.7-105.9 162.7 9.9 -14.2 16.7 51 82 A E S S+ 0 0 90 21,-2.8 20,-0.2 -2,-0.3 22,-0.1 0.861 88.0 61.3 -65.7 -43.1 6.9 -16.3 17.6 52 83 A N S S- 0 0 70 18,-2.7 2,-2.5 20,-0.2 -2,-0.2 -0.660 77.4-125.5 -97.1 144.9 6.9 -16.4 21.4 53 84 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 100,-0.1 -0.361 81.7 99.5 -80.5 62.7 6.7 -13.4 23.9 54 85 A S - 0 0 26 -2,-2.5 -2,-0.1 98,-0.1 98,-0.1 -0.992 46.5-179.4-147.7 141.8 9.9 -14.6 25.5 55 86 A a + 0 0 14 -2,-0.3 12,-0.6 14,-0.1 13,-0.1 0.079 49.7 129.7-119.1 13.0 13.6 -13.8 25.4 56 87 A E - 0 0 110 11,-0.2 13,-3.0 10,-0.1 14,-0.4 -0.278 59.3-116.7 -70.0 152.6 14.5 -16.5 27.9 57 88 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.440 28.0-156.7 -78.2 165.4 17.4 -18.9 27.1 58 89 A K E -K 65 0C 98 7,-1.7 7,-2.6 -2,-0.1 2,-0.2 -0.994 22.9-100.1-142.2 151.0 16.7 -22.6 26.6 59 90 A E E +K 64 0C 133 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.519 42.6 167.4 -67.9 132.5 18.9 -25.8 26.9 60 91 A K E > -K 63 0C 91 3,-2.4 3,-1.9 -2,-0.2 -2,-0.0 -0.955 69.6 -13.3-145.4 127.1 20.1 -27.2 23.7 61 92 A E T 3 S- 0 0 143 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.873 129.9 -51.8 52.8 40.1 22.8 -29.9 23.4 62 93 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.538 118.2 106.4 80.8 5.3 23.8 -29.3 27.0 63 94 A K E < S-K 60 0C 130 -3,-1.9 -3,-2.4 -5,-0.1 2,-0.9 -0.956 72.3-127.9-122.8 129.4 24.2 -25.5 26.7 64 95 A L E -K 59 0C 104 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.721 40.3-154.6 -73.8 110.3 21.9 -22.8 28.0 65 96 A T E > -K 58 0C 46 -7,-2.6 -7,-1.7 -2,-0.9 3,-1.6 -0.796 14.3-107.6-108.5 124.3 21.5 -20.9 24.7 66 97 A A T 3 S- 0 0 23 -2,-0.5 82,-0.4 1,-0.2 -10,-0.1 -0.106 89.7 -8.4 -49.0 130.2 20.6 -17.3 24.5 67 98 A G T > S+ 0 0 1 -12,-0.6 3,-1.7 1,-0.1 -1,-0.2 0.426 82.7 129.2 70.3 6.3 17.1 -16.3 23.3 68 99 A L G X + 0 0 49 -3,-1.6 3,-2.0 1,-0.3 -1,-0.1 0.741 60.7 75.4 -70.0 -19.8 15.8 -19.7 22.3 69 100 A G G 3 S+ 0 0 7 -13,-3.0 -1,-0.3 1,-0.3 -14,-0.1 0.750 83.2 68.6 -56.6 -23.3 12.7 -19.2 24.4 70 101 A A G < S- 0 0 0 -3,-1.7 -18,-2.7 -14,-0.4 -1,-0.3 0.606 94.1-152.7 -71.5 -15.9 11.5 -16.9 21.7 71 102 A G < - 0 0 16 -3,-2.0 -1,-0.2 -20,-0.2 3,-0.1 -0.296 36.1 -31.5 71.4-157.5 11.0 -19.8 19.2 72 103 A G S S- 0 0 25 1,-0.2 -21,-2.8 -22,-0.1 -20,-0.2 -0.064 84.0 -54.8 -90.4-176.1 11.3 -19.3 15.5 73 104 A H B -H 50 0A 12 -23,-0.2 -23,-0.3 1,-0.1 2,-0.3 -0.348 67.1-102.1 -57.7 134.2 10.6 -16.5 13.0 74 105 A W + 0 0 24 -25,-3.0 19,-2.3 51,-0.2 20,-0.2 -0.470 52.9 165.3 -63.0 124.5 7.0 -15.4 13.4 75 106 A D > + 0 0 37 -2,-0.3 3,-1.7 16,-0.2 5,-0.1 -0.463 10.1 156.7-143.9 60.5 5.1 -17.1 10.5 76 107 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.803 78.1 53.0 -67.4 -24.2 1.4 -16.9 11.0 77 108 A K T 3 S- 0 0 164 13,-0.1 14,-0.0 -3,-0.1 -3,-0.0 0.464 110.1-121.6 -88.1 1.9 0.6 -17.3 7.4 78 109 A G < + 0 0 39 -3,-1.7 13,-0.1 1,-0.1 -3,-0.0 0.869 56.9 152.5 63.3 38.5 2.8 -20.5 7.1 79 110 A A - 0 0 30 11,-0.1 12,-0.1 1,-0.1 -1,-0.1 0.868 34.7-159.1 -63.6 -35.1 5.2 -19.2 4.4 80 111 A K + 0 0 180 1,-0.1 2,-0.3 -5,-0.1 -1,-0.1 0.768 56.9 81.7 56.7 33.3 7.8 -21.6 5.8 81 112 A Q S S- 0 0 72 55,-0.0 10,-1.8 61,-0.0 2,-0.3 -0.971 76.8-117.1-160.0 152.0 10.7 -19.7 4.3 82 113 A H + 0 0 7 -2,-0.3 55,-0.4 8,-0.2 2,-0.2 -0.655 49.6 132.5 -89.8 141.2 12.8 -16.7 5.2 83 114 A G - 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