==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-OCT-09 3KBE . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [CU-ZN]; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR O.N.PAKHOMOVA,A.B.TAYLOR,J.P.SCHUERMANN,V.L.CULOTTA,P.J.HART . 140 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 57.9 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 . 48 34.3 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 . 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 . 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 . 9 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.7 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+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 . 2 0 2 0 2 2 1 0 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 1 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 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 S 0 0 54 0, 0.0 138,-0.1 0, 0.0 104,-0.0 0.000 360.0 360.0 360.0 157.3 -10.9 -7.1 23.3 2 2 A N + 0 0 34 139,-0.1 19,-2.5 136,-0.1 2,-0.3 0.305 360.0 59.9 -89.4 8.5 -8.2 -7.0 20.6 3 3 A R E +A 20 0A 39 135,-0.5 135,-1.7 17,-0.2 2,-0.3 -0.986 55.2 170.7-137.3 146.9 -8.7 -10.7 20.2 4 4 A A E -AB 19 137A 0 15,-2.1 15,-2.8 -2,-0.3 2,-0.3 -0.956 11.4-160.3-144.1 162.0 -11.5 -13.0 19.2 5 5 A V E -AB 18 136A 24 131,-2.2 131,-2.8 -2,-0.3 2,-0.5 -0.994 7.0-157.4-149.2 138.1 -11.7 -16.7 18.4 6 6 A A E -AB 17 135A 1 11,-2.7 11,-2.7 -2,-0.3 2,-0.7 -0.979 7.3-156.5-114.9 126.5 -14.1 -19.1 16.6 7 7 A V E -A 16 0A 56 127,-0.5 2,-0.4 -2,-0.5 127,-0.3 -0.917 20.6-143.5-100.1 111.7 -14.1 -22.8 17.4 8 8 A L E -A 15 0A 2 7,-2.3 7,-1.4 -2,-0.7 2,-0.4 -0.649 17.8-169.7 -83.3 132.4 -15.6 -24.4 14.3 9 9 A R B +E 132 0B 174 123,-2.6 123,-1.8 -2,-0.4 2,-0.3 -0.956 20.0 133.5-126.7 139.1 -17.8 -27.4 14.9 10 10 A G - 0 0 32 -2,-0.4 121,-0.2 121,-0.2 120,-0.1 -0.958 65.2 -84.5-168.2 173.7 -19.1 -29.9 12.4 11 11 A E S S- 0 0 190 119,-0.5 120,-0.1 -2,-0.3 -1,-0.1 0.891 119.9 -10.8 -60.1 -43.1 -19.6 -33.6 11.7 12 12 A T S S+ 0 0 107 118,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.597 122.3 77.2-129.7 -31.4 -16.1 -34.0 10.2 13 13 A V + 0 0 5 117,-0.5 2,-0.3 105,-0.1 23,-0.2 -0.728 53.3 158.5 -90.3 131.8 -14.7 -30.5 9.8 14 14 A T E + C 0 35A 63 21,-1.9 21,-3.0 -2,-0.4 2,-0.3 -0.872 4.6 149.7-138.0 173.3 -13.4 -28.7 12.9 15 15 A G E -AC 8 34A 7 -7,-1.4 -7,-2.3 -2,-0.3 2,-0.4 -0.963 36.9-119.9 173.2 172.4 -11.0 -25.8 13.5 16 16 A T E -AC 7 33A 61 17,-2.2 17,-2.0 -2,-0.3 2,-0.5 -0.981 25.1-174.0-138.2 121.7 -9.9 -22.8 15.5 17 17 A I E -AC 6 32A 0 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.3 -0.975 6.1-160.2-124.7 119.5 -9.6 -19.4 14.0 18 18 A W E -AC 5 31A 89 13,-3.2 13,-2.5 -2,-0.5 2,-0.4 -0.738 3.3-160.9 -95.0 146.4 -8.2 -16.4 15.8 19 19 A I E -AC 4 30A 1 -15,-2.8 -15,-2.1 -2,-0.3 2,-0.4 -0.997 12.2-177.8-124.3 125.1 -8.8 -12.7 14.9 20 20 A T E +AC 3 29A 34 9,-2.4 9,-2.5 -2,-0.4 2,-0.3 -0.980 8.2 164.6-125.5 136.0 -6.3 -10.2 16.3 21 21 A Q - 0 0 7 -19,-2.5 7,-0.1 -2,-0.4 3,-0.1 -0.887 27.0-152.9-158.5 118.4 -6.6 -6.4 15.8 22 22 A K S S- 0 0 176 5,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.788 74.9 -17.5 -67.2 -33.8 -4.7 -3.8 17.7 23 23 A S S > S- 0 0 37 -21,-0.1 3,-1.6 3,-0.0 82,-0.1 -0.967 73.9 -87.7-163.3 170.9 -7.2 -1.0 17.3 24 24 A E T 3 S+ 0 0 128 -2,-0.3 82,-0.1 1,-0.3 4,-0.1 0.763 125.8 49.1 -58.5 -28.1 -10.2 0.2 15.3 25 25 A N T 3 S+ 0 0 138 2,-0.1 -1,-0.3 -4,-0.0 2,-0.2 0.479 97.5 87.6 -92.7 -5.3 -7.9 1.8 12.7 26 26 A D S < S- 0 0 73 -3,-1.6 2,-0.3 1,-0.1 -3,-0.0 -0.656 83.3-106.8 -98.7 153.2 -5.6 -1.2 12.3 27 27 A Q - 0 0 113 -2,-0.2 -5,-0.3 1,-0.1 2,-0.1 -0.572 35.9-125.7 -79.9 133.9 -6.0 -4.1 10.0 28 28 A A - 0 0 1 75,-0.6 2,-0.4 73,-0.3 73,-0.4 -0.412 12.8-142.6 -74.9 153.9 -7.1 -7.4 11.5 29 29 A V E -C 20 0A 43 -9,-2.5 -9,-2.4 -2,-0.1 2,-0.5 -0.988 8.3-160.4-117.2 129.1 -5.2 -10.7 11.1 30 30 A I E +CD 19 98A 0 68,-2.5 68,-3.0 -2,-0.4 2,-0.4 -0.949 24.2 161.8-109.3 121.1 -7.2 -13.9 10.8 31 31 A E E +CD 18 97A 93 -13,-2.5 -13,-3.2 -2,-0.5 2,-0.3 -0.999 12.2 88.5-147.1 138.1 -5.1 -17.0 11.6 32 32 A G E -CD 17 96A 14 64,-2.0 64,-3.4 -2,-0.4 2,-0.4 -0.980 56.6 -75.8 169.9-156.6 -5.7 -20.6 12.5 33 33 A E E -CD 16 95A 85 -17,-2.0 -17,-2.2 -2,-0.3 2,-0.4 -0.987 18.9-160.4-139.8 141.9 -6.3 -24.1 11.4 34 34 A I E -CD 15 94A 1 60,-1.5 60,-2.4 -2,-0.4 2,-0.3 -0.997 18.1-169.3-124.2 130.9 -9.1 -26.1 9.9 35 35 A K E +CD 14 93A 105 -21,-3.0 -21,-1.9 -2,-0.4 58,-0.1 -0.780 56.7 36.2-117.4 159.2 -9.1 -29.9 10.0 36 36 A G S S+ 0 0 42 56,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.505 73.0 145.8 82.8 4.6 -11.1 -32.7 8.5 37 37 A L - 0 0 18 55,-0.3 -1,-0.3 -3,-0.2 3,-0.1 -0.532 53.0-117.3 -78.7 142.2 -11.6 -31.1 5.1 38 38 A T - 0 0 96 -2,-0.2 50,-0.3 1,-0.2 83,-0.1 -0.372 55.0 -78.1 -67.3 154.5 -11.7 -33.2 1.9 39 39 A P S S+ 0 0 124 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.211 92.6 36.7 -62.9 147.5 -8.8 -32.2 -0.3 40 40 A G S S- 0 0 30 48,-0.3 48,-0.5 -3,-0.1 2,-0.3 -0.565 96.1 -27.1 113.5-172.7 -9.1 -29.0 -2.4 41 41 A L - 0 0 92 -2,-0.2 2,-0.3 46,-0.1 46,-0.2 -0.610 53.3-178.5 -87.0 137.6 -10.4 -25.5 -2.1 42 42 A H E -F 86 0B 6 44,-2.3 44,-2.9 -2,-0.3 78,-0.2 -0.974 30.7-103.5-133.5 146.1 -13.4 -24.7 0.1 43 43 A G E -FG 85 119B 6 76,-1.5 76,-2.9 -2,-0.3 2,-0.4 -0.373 28.3-163.1 -71.7 147.3 -15.3 -21.5 0.8 44 44 A F E + G 0 118B 0 40,-2.1 39,-2.1 74,-0.2 2,-0.3 -0.987 19.9 165.4-135.5 119.9 -14.6 -19.6 4.0 45 45 A H E -FG 82 117B 24 72,-2.5 72,-2.8 -2,-0.4 2,-0.5 -0.987 39.2-129.7-140.7 143.5 -17.1 -16.9 5.1 46 46 A V E - G 0 116B 0 35,-2.3 17,-2.9 -2,-0.3 2,-0.3 -0.807 34.6-158.3 -81.9 132.7 -18.3 -14.8 7.9 47 47 A H E -HG 62 115B 0 68,-2.3 68,-1.7 -2,-0.5 15,-0.2 -0.750 24.8-109.3-110.4 163.6 -22.0 -15.1 8.3 48 48 A Q S S+ 0 0 55 13,-2.8 2,-0.3 -2,-0.3 12,-0.2 0.838 92.5 39.3 -63.9 -40.0 -24.4 -12.7 10.0 49 49 A Y - 0 0 124 10,-2.7 65,-0.2 12,-0.2 -2,-0.1 -0.861 51.4-156.7-119.9 147.7 -25.3 -14.6 13.1 50 50 A G + 0 0 11 63,-1.1 9,-0.2 -2,-0.3 64,-0.1 0.574 53.6 133.1 -88.7 -11.6 -23.6 -16.8 15.6 51 51 A D + 0 0 80 7,-0.3 3,-0.3 1,-0.2 -2,-0.1 -0.123 29.4 177.9 -40.8 114.7 -26.9 -18.4 16.6 52 52 A S > + 0 0 82 1,-0.2 3,-0.8 6,-0.1 -1,-0.2 0.015 44.1 114.5-117.2 31.4 -26.2 -22.2 16.6 53 53 A T T 3 S+ 0 0 124 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.705 89.0 35.3 -68.2 -19.5 -29.6 -23.4 17.7 54 54 A N T >> S- 0 0 88 1,-0.5 3,-1.7 -3,-0.3 4,-1.2 -0.504 113.7-106.4-133.2 64.8 -29.9 -25.0 14.2 55 55 A G T <4 S- 0 0 48 -3,-0.8 -1,-0.5 1,-0.3 3,-0.2 -0.192 84.8 -28.1 51.4-133.2 -26.4 -26.2 13.3 56 56 A a T >4 S+ 0 0 16 1,-0.2 3,-0.6 73,-0.2 -1,-0.3 0.491 129.1 78.6 -90.9 -3.7 -24.9 -24.0 10.6 57 57 A I G X4 S+ 0 0 64 -3,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.907 86.7 57.3 -68.9 -40.5 -28.3 -23.1 9.2 58 58 A S G 3< S+ 0 0 19 -4,-1.2 -7,-0.3 1,-0.3 -1,-0.2 0.555 82.6 85.3 -74.6 -3.1 -29.0 -20.5 12.0 59 59 A A G < S- 0 0 2 -3,-0.6 -10,-2.7 -5,-0.2 -1,-0.3 0.683 86.9-154.5 -64.8 -17.9 -25.9 -18.6 11.1 60 60 A G < - 0 0 16 -3,-1.7 -1,-0.2 -12,-0.2 3,-0.1 -0.251 34.4 -19.9 73.8-163.3 -28.0 -16.9 8.5 61 61 A P S S- 0 0 68 0, 0.0 -13,-2.8 0, 0.0 -12,-0.2 -0.159 83.8 -68.4 -78.8 170.0 -26.7 -15.3 5.3 62 62 A H B -H 47 0B 69 -15,-0.2 2,-0.8 1,-0.1 -15,-0.3 -0.191 55.3-108.8 -44.5 143.8 -23.2 -14.2 4.3 63 63 A F + 0 0 7 -17,-2.9 18,-1.9 52,-0.1 -17,-0.2 -0.766 54.8 154.3 -84.2 109.9 -22.1 -11.1 6.3 64 64 A N > + 0 0 43 -2,-0.8 3,-1.8 16,-0.2 -1,-0.1 -0.586 6.9 166.7-138.2 67.4 -22.2 -8.3 3.7 65 65 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.747 75.4 54.2 -65.1 -24.8 -22.6 -5.1 5.7 66 66 A F T 3 S- 0 0 94 12,-0.3 13,-0.1 8,-0.0 11,-0.0 0.505 109.2-120.9 -89.0 -5.3 -21.8 -2.8 2.8 67 67 A G < - 0 0 33 -3,-1.8 10,-0.1 1,-0.2 12,-0.1 0.863 33.3-169.6 74.1 37.4 -24.4 -4.4 0.5 68 68 A K - 0 0 75 10,-0.3 7,-0.2 7,-0.1 2,-0.2 -0.378 11.8-155.5 -53.6 137.7 -22.3 -5.6 -2.4 69 69 A T - 0 0 58 5,-1.2 8,-0.1 3,-0.1 -1,-0.0 -0.654 26.0-110.6-113.1 170.3 -24.6 -6.7 -5.3 70 70 A H S S- 0 0 193 -2,-0.2 2,-0.2 6,-0.0 -1,-0.1 0.896 94.8 -1.6 -67.3 -41.8 -24.3 -9.1 -8.2 71 71 A G S S+ 0 0 37 -3,-0.0 3,-0.3 5,-0.0 -2,-0.1 -0.767 98.3 44.8-138.7-177.3 -24.2 -6.3 -10.8 72 72 A G S > S- 0 0 50 -2,-0.2 3,-2.0 1,-0.2 4,-0.3 -0.112 106.2 -32.7 73.8-172.3 -24.4 -2.6 -11.3 73 73 A P G > S+ 0 0 126 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.860 136.3 52.9 -49.2 -43.7 -22.7 0.1 -9.3 74 74 A K G > S+ 0 0 127 -3,-0.3 -5,-1.2 1,-0.3 3,-1.1 0.486 85.9 83.1 -82.2 1.8 -22.8 -1.8 -6.0 75 75 A S G < S+ 0 0 34 -3,-2.0 -1,-0.3 -7,-0.2 -3,-0.1 0.634 85.8 60.2 -75.3 -10.5 -21.1 -4.8 -7.5 76 76 A E G < S+ 0 0 177 -3,-1.3 -1,-0.2 -4,-0.3 2,-0.2 0.395 81.0 107.3 -97.5 2.6 -17.8 -3.1 -7.0 77 77 A I S < S- 0 0 50 -3,-1.1 2,-0.3 -8,-0.1 -10,-0.0 -0.518 80.0-106.0 -74.6 144.5 -18.3 -2.8 -3.2 78 78 A R - 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