==== 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 3KBF . 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 . 156 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 63.5 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 . 54 34.6 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 . 1 0.6 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-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 . 1 0.6 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 . 10 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 1 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 0 0 2 2 0 3 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 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 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 93 0, 0.0 2,-0.3 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 163.8 12.9 -22.5 -20.4 2 2 A N E -A 21 0A 44 19,-2.5 19,-2.2 153,-0.1 2,-0.3 -0.932 360.0-171.0-124.4 152.4 10.1 -20.2 -21.6 3 3 A R E +AB 20 154A 80 151,-0.6 151,-2.5 -2,-0.3 2,-0.3 -0.995 5.2 175.9-141.7 143.8 9.6 -16.5 -21.2 4 4 A A E -AB 19 153A 0 15,-2.5 15,-2.8 -2,-0.3 2,-0.3 -0.960 9.6-158.4-142.4 161.5 6.7 -14.2 -21.9 5 5 A V E -AB 18 152A 25 147,-2.2 147,-2.9 -2,-0.3 2,-0.5 -1.000 5.4-158.2-144.4 141.0 6.0 -10.5 -21.5 6 6 A A E -AB 17 151A 2 11,-2.8 11,-2.5 -2,-0.3 2,-0.8 -0.985 6.7-157.7-119.7 121.0 2.9 -8.3 -21.2 7 7 A V E -A 16 0A 58 143,-0.5 2,-0.4 -2,-0.5 143,-0.3 -0.880 21.2-145.9 -94.1 109.8 3.1 -4.6 -22.0 8 8 A L E -A 15 0A 1 7,-2.4 7,-1.6 -2,-0.8 2,-0.4 -0.655 17.6-172.1 -85.0 129.6 0.1 -3.1 -20.2 9 9 A R B +C 148 0A 173 139,-2.8 139,-2.1 -2,-0.4 2,-0.3 -0.941 15.5 144.0-122.0 143.2 -1.5 -0.2 -21.8 10 10 A G - 0 0 34 -2,-0.4 137,-0.2 137,-0.2 136,-0.1 -0.964 60.4 -89.2-164.3 173.3 -4.3 2.1 -20.5 11 11 A E S S- 0 0 197 135,-0.4 136,-0.1 -2,-0.3 -1,-0.1 0.872 120.1 -8.8 -62.0 -38.1 -5.5 5.6 -20.4 12 12 A T S S+ 0 0 110 134,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.526 124.1 73.8-135.3 -20.6 -3.5 6.5 -17.3 13 13 A V + 0 0 6 133,-0.6 2,-0.3 105,-0.1 23,-0.2 -0.820 53.6 161.8-101.6 136.9 -2.1 3.2 -16.1 14 14 A T E + D 0 35A 60 21,-1.8 21,-3.2 -2,-0.4 2,-0.3 -0.939 2.5 143.1-143.2 169.0 0.8 1.4 -17.8 15 15 A G E -AD 8 34A 12 -7,-1.6 -7,-2.4 -2,-0.3 2,-0.4 -0.982 37.4-114.1 175.1 177.3 3.4 -1.3 -17.0 16 16 A T E -AD 7 33A 58 17,-2.0 17,-1.9 -2,-0.3 2,-0.4 -0.993 23.2-171.7-138.6 128.5 5.5 -4.3 -18.0 17 17 A I E -AD 6 32A 0 -11,-2.5 -11,-2.8 -2,-0.4 2,-0.4 -0.987 5.9-159.6-125.7 125.5 5.1 -7.8 -16.6 18 18 A W E -AD 5 31A 80 13,-3.4 13,-2.5 -2,-0.4 2,-0.4 -0.817 1.4-163.3-101.5 142.4 7.5 -10.7 -17.3 19 19 A I E +AD 4 30A 2 -15,-2.8 -15,-2.5 -2,-0.4 2,-0.4 -0.997 11.5 180.0-121.5 126.6 6.7 -14.4 -16.8 20 20 A T E +AD 3 29A 43 9,-2.4 9,-2.9 -2,-0.4 2,-0.3 -0.962 4.9 180.0-124.8 147.3 9.5 -16.9 -16.7 21 21 A Q E -A 2 0A 8 -19,-2.2 -19,-2.5 -2,-0.4 7,-0.1 -0.943 21.7-152.7-150.5 122.5 9.2 -20.7 -16.3 22 22 A K S S- 0 0 163 5,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.816 77.9 -24.8 -67.1 -33.7 12.2 -23.1 -16.1 23 23 A S S > S- 0 0 35 4,-0.1 3,-1.9 -22,-0.1 -1,-0.2 -0.959 73.5 -85.6-166.9 172.7 10.1 -26.0 -17.5 24 24 A E T 3 S+ 0 0 127 -2,-0.3 82,-0.1 1,-0.3 4,-0.1 0.702 127.3 54.3 -64.3 -16.8 6.5 -27.3 -17.7 25 25 A N T 3 S+ 0 0 141 2,-0.1 -1,-0.3 -4,-0.0 2,-0.3 0.468 96.3 82.4 -94.8 -4.1 7.0 -28.8 -14.2 26 26 A D S < S- 0 0 69 -3,-1.9 2,-0.0 1,-0.1 -3,-0.0 -0.682 85.2-101.4-102.4 155.3 8.2 -25.6 -12.6 27 27 A Q - 0 0 96 -2,-0.3 -5,-0.4 1,-0.1 2,-0.3 -0.346 38.7-108.1 -67.2 150.4 6.1 -22.7 -11.2 28 28 A A E - E 0 100A 0 72,-2.3 72,-2.3 75,-0.5 2,-0.5 -0.663 26.4-146.8 -76.4 136.2 5.6 -19.5 -13.3 29 29 A V E -DE 20 99A 49 -9,-2.9 -9,-2.4 -2,-0.3 2,-0.5 -0.945 14.3-165.8-105.3 123.3 7.5 -16.6 -11.9 30 30 A I E +DE 19 98A 0 68,-3.0 68,-2.9 -2,-0.5 2,-0.3 -0.940 18.3 156.5-117.5 117.7 5.7 -13.3 -12.5 31 31 A E E +DE 18 97A 76 -13,-2.5 -13,-3.4 -2,-0.5 2,-0.3 -0.997 12.0 89.0-146.2 145.9 7.5 -10.0 -12.0 32 32 A G E -DE 17 96A 20 64,-1.9 64,-2.9 -2,-0.3 2,-0.3 -0.986 55.5 -81.1 166.1-155.2 7.4 -6.4 -13.1 33 33 A E E -DE 16 95A 99 -17,-1.9 -17,-2.0 -2,-0.3 2,-0.4 -0.997 19.0-162.1-146.3 144.1 6.0 -3.0 -12.4 34 34 A I E -DE 15 94A 1 60,-2.1 60,-3.0 -2,-0.3 2,-0.3 -0.995 17.2-168.2-126.4 133.3 2.8 -1.1 -13.0 35 35 A K E +D 14 0A 123 -21,-3.2 -21,-1.8 -2,-0.4 58,-0.2 -0.795 57.1 45.8-121.0 165.4 2.6 2.7 -12.7 36 36 A G S S+ 0 0 40 55,-0.3 2,-0.2 1,-0.3 57,-0.2 0.543 76.7 137.9 84.1 9.0 -0.1 5.4 -12.6 37 37 A L - 0 0 8 55,-2.2 -1,-0.3 -3,-0.2 3,-0.1 -0.528 61.3-106.7 -85.0 151.8 -2.2 3.5 -10.0 38 38 A T - 0 0 92 -2,-0.2 50,-0.3 82,-0.1 -1,-0.1 -0.524 52.7 -91.2 -67.6 142.2 -3.9 5.1 -7.0 39 39 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 50,-0.2 -0.309 93.1 45.5 -55.9 139.3 -2.0 4.2 -3.8 40 40 A G E S-F 88 0A 26 48,-2.2 48,-2.9 -3,-0.1 2,-0.3 -0.824 97.3 -22.3 124.0-165.2 -3.5 0.9 -2.4 41 41 A L E -F 87 0A 61 -2,-0.3 2,-0.4 46,-0.2 46,-0.2 -0.665 50.7-174.9 -93.7 137.9 -4.6 -2.5 -3.5 42 42 A H E -F 86 0A 4 44,-2.5 44,-2.6 -2,-0.3 80,-0.3 -0.996 27.9-113.7-135.0 131.1 -5.6 -3.4 -7.1 43 43 A G E -F 85 0A 0 78,-2.8 76,-2.7 -2,-0.4 2,-0.4 -0.285 31.7-169.9 -62.3 146.4 -6.9 -6.6 -8.6 44 44 A F E + G 0 118A 0 40,-2.2 39,-1.2 74,-0.2 2,-0.3 -0.972 14.5 155.9-146.5 118.3 -4.6 -8.3 -11.0 45 45 A H E -FG 82 117A 0 72,-2.3 72,-2.6 -2,-0.4 2,-0.6 -0.969 44.3-116.3-142.9 157.8 -5.6 -11.3 -13.2 46 46 A V E - G 0 116A 0 35,-1.8 17,-2.8 -2,-0.3 70,-0.2 -0.863 39.8-154.9 -88.4 124.1 -5.0 -13.2 -16.4 47 47 A H E -HG 62 115A 1 68,-2.2 68,-1.5 -2,-0.6 15,-0.3 -0.627 23.6-108.2 -99.1 165.4 -8.1 -12.9 -18.6 48 48 A Q S S+ 0 0 61 13,-2.9 2,-0.3 -2,-0.2 12,-0.2 0.844 94.2 37.9 -63.4 -40.7 -9.2 -15.3 -21.3 49 49 A Y - 0 0 120 10,-2.7 65,-0.2 12,-0.2 -2,-0.1 -0.844 53.0-155.7-119.8 151.1 -8.4 -13.3 -24.4 50 50 A G + 0 0 12 63,-0.7 9,-0.2 -2,-0.3 64,-0.1 0.470 53.4 131.1 -95.8 -7.3 -5.7 -10.9 -25.5 51 51 A D + 0 0 80 7,-0.4 3,-0.2 1,-0.1 -2,-0.1 -0.277 27.9 175.0 -49.2 118.2 -7.9 -9.1 -28.1 52 52 A S > + 0 0 75 1,-0.1 3,-1.6 6,-0.1 -1,-0.1 0.125 45.6 110.1-115.7 18.6 -7.5 -5.4 -27.5 53 53 A T T 3 S+ 0 0 128 1,-0.3 -1,-0.1 5,-0.1 3,-0.1 0.724 92.2 36.4 -67.2 -19.9 -9.7 -4.1 -30.4 54 54 A N T >> S- 0 0 92 1,-0.5 3,-1.5 -3,-0.2 4,-0.6 -0.306 117.8-114.2-121.5 46.5 -12.2 -3.0 -27.8 55 55 A G T <4 S- 0 0 41 -3,-1.6 -1,-0.5 1,-0.3 3,-0.3 -0.281 78.7 -24.1 58.0-137.0 -9.6 -1.9 -25.2 56 56 A a T >4 S+ 0 0 21 1,-0.2 3,-1.2 89,-0.2 -1,-0.3 0.648 127.8 77.5 -84.0 -9.3 -9.7 -4.0 -22.1 57 57 A I G X4 S+ 0 0 117 -3,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.918 87.2 58.4 -62.9 -41.8 -13.4 -5.0 -22.7 58 58 A S G 3< S+ 0 0 21 -4,-0.6 -7,-0.4 -3,-0.3 -1,-0.2 0.519 83.0 84.3 -72.8 -2.5 -12.4 -7.6 -25.4 59 59 A A G < S- 0 0 2 -3,-1.2 -10,-2.7 1,-0.2 -1,-0.3 0.683 84.1-157.6 -67.9 -17.5 -10.2 -9.4 -22.9 60 60 A G < - 0 0 19 -3,-1.7 -1,-0.2 -4,-0.2 3,-0.1 -0.269 34.7 -26.6 69.2-159.9 -13.3 -11.3 -21.7 61 61 A P S S- 0 0 73 0, 0.0 -13,-2.9 0, 0.0 -12,-0.2 -0.100 86.1 -63.1 -81.4 179.4 -13.5 -13.0 -18.2 62 62 A H B -H 47 0A 11 76,-0.3 -15,-0.3 -15,-0.3 2,-0.3 -0.384 65.7 -95.7 -60.4 141.6 -10.8 -14.3 -15.9 63 63 A F + 0 0 7 -17,-2.8 18,-2.3 52,-0.2 17,-0.2 -0.454 57.6 163.4 -63.3 123.0 -9.0 -17.3 -17.5 64 64 A N > + 0 0 51 -2,-0.3 3,-1.5 15,-0.2 -1,-0.1 -0.428 13.0 156.4-147.8 60.9 -10.8 -20.3 -16.1 65 65 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.721 78.9 53.6 -68.1 -19.1 -10.1 -23.5 -18.1 66 66 A F T 3 S- 0 0 106 2,-0.0 -2,-0.0 0, 0.0 13,-0.0 0.352 108.4-120.9-100.4 4.5 -10.9 -25.7 -15.1 67 67 A G < + 0 0 62 -3,-1.5 2,-0.2 1,-0.2 12,-0.1 0.874 58.0 146.3 66.0 44.5 -14.4 -24.2 -14.4 68 68 A K - 0 0 110 10,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.511 49.1-102.8-102.5 172.0 -13.9 -22.9 -10.9 69 69 A T - 0 0 58 -2,-0.2 69,-0.2 1,-0.1 2,-0.1 -0.511 52.3 -79.4 -87.2 166.4 -15.3 -19.9 -9.0 70 70 A H + 0 0 0 67,-2.5 2,-0.2 8,-0.2 -1,-0.1 -0.388 61.2 147.3 -69.9 139.3 -13.2 -16.8 -8.3 71 71 A G - 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