==== 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 28-JUL-06 2HVB . COMPND 2 MOLECULE: SUPEROXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.YAMAMOTO,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 456 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 222 48.7 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 58 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 . 4 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 . 5 0 0 0 2 4 10 0 8 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 2 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 10 A M 0 0 68 0, 0.0 4,-0.3 0, 0.0 326,-0.1 0.000 360.0 360.0 360.0-133.7 -35.4 23.5 5.0 2 11 A L >> + 0 0 0 1,-0.2 3,-1.7 2,-0.2 4,-0.7 0.885 360.0 61.0 -74.2 -41.7 -34.8 19.8 4.7 3 12 A K G >4 S+ 0 0 45 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.883 97.8 59.7 -54.5 -38.6 -31.7 20.0 2.6 4 13 A E G 34 S+ 0 0 118 1,-0.3 -1,-0.3 230,-0.1 -2,-0.2 0.728 99.7 57.5 -62.7 -21.5 -29.9 21.9 5.3 5 14 A T G <4 S+ 0 0 12 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.3 0.667 82.4 103.1 -83.0 -16.3 -30.4 19.0 7.6 6 15 A I << - 0 0 9 -3,-1.5 101,-0.2 -4,-0.7 2,-0.1 -0.567 60.4-162.1 -73.5 120.4 -28.6 16.7 5.2 7 16 A R B -a 107 0A 65 99,-2.2 101,-2.0 -2,-0.4 2,-0.2 -0.413 20.1-158.6-102.7 168.9 -25.1 16.1 6.6 8 17 A S + 0 0 70 99,-0.2 2,-0.2 -2,-0.1 101,-0.1 -0.633 67.3 25.5-150.6 91.0 -21.7 14.8 5.2 9 18 A G S S- 0 0 29 -2,-0.2 7,-1.0 99,-0.1 6,-0.8 -0.802 90.1 -65.7 165.4-120.4 -19.3 13.4 7.7 10 19 A D 0 0 108 -2,-0.2 4,-0.1 4,-0.2 -2,-0.1 -0.779 360.0 360.0-147.9-163.7 -19.8 11.8 11.1 11 20 A W 0 0 140 2,-0.4 3,-0.1 -2,-0.2 -2,-0.0 -0.302 360.0 360.0-123.8 360.0 -21.0 12.6 14.7 12 ! 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 13 23 A E 0 0 82 0, 0.0 -2,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 105.8 -20.2 7.1 14.4 14 24 A K + 0 0 58 24,-0.3 -4,-0.2 1,-0.2 20,-0.0 -0.405 360.0 151.1 -65.4 126.5 -19.9 6.7 10.7 15 25 A H + 0 0 0 -6,-0.8 -1,-0.2 -2,-0.2 -5,-0.1 0.563 34.8 111.8-121.4 -27.0 -23.1 7.7 8.9 16 26 A V S S- 0 0 17 -7,-1.0 2,-0.5 1,-0.1 19,-0.4 -0.317 70.3-125.8 -55.8 119.6 -21.8 8.8 5.5 17 27 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.583 20.5-140.9 -74.5 122.7 -23.0 6.3 2.9 18 28 A V E -J 33 0B 50 15,-3.1 15,-1.8 -2,-0.5 2,-0.5 -0.670 11.6-154.9 -85.9 134.3 -20.2 4.8 0.9 19 29 A I E +J 32 0B 15 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.941 17.1 170.9-113.0 125.5 -20.7 4.2 -2.9 20 30 A E E +J 31 0B 94 11,-2.5 11,-4.8 -2,-0.5 2,-0.3 -1.000 7.8 177.9-134.6 134.7 -18.8 1.6 -4.8 21 31 A Y E -J 30 0B 62 -2,-0.4 2,-0.4 9,-0.3 9,-0.2 -0.962 18.6-157.7-139.2 155.8 -19.5 0.5 -8.4 22 32 A E E -J 29 0B 140 7,-2.7 7,-3.2 -2,-0.3 2,-0.4 -0.974 15.8-148.4-129.9 143.7 -18.2 -1.7 -11.1 23 33 A R E +J 28 0B 71 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.961 20.5 173.5-122.6 129.9 -18.9 -1.3 -14.8 24 34 A E E > S-J 27 0B 155 3,-2.4 3,-1.3 -2,-0.4 2,-0.8 -0.770 72.9 -63.2-129.0 80.9 -19.3 -3.9 -17.5 25 35 A G T 3 S- 0 0 58 -2,-0.3 64,-0.0 1,-0.3 0, 0.0 -0.656 119.2 -12.5 80.3-112.3 -20.3 -2.0 -20.6 26 36 A D T 3 S+ 0 0 83 -2,-0.8 63,-2.4 -3,-0.1 2,-0.5 0.674 117.2 95.3 -95.5 -20.4 -23.7 -0.5 -19.9 27 37 A L E < -JK 24 88B 32 -3,-1.3 -3,-2.4 61,-0.2 2,-0.5 -0.609 56.4-166.5 -79.1 119.7 -24.3 -2.5 -16.7 28 38 A V E -JK 23 87B 0 59,-2.7 59,-1.7 -2,-0.5 2,-0.6 -0.916 6.0-160.4-109.1 126.8 -23.3 -0.7 -13.5 29 39 A K E -JK 22 86B 88 -7,-3.2 -7,-2.7 -2,-0.5 2,-0.5 -0.933 17.1-170.2-104.7 119.0 -23.1 -2.8 -10.3 30 40 A V E -JK 21 85B 0 55,-2.7 55,-3.0 -2,-0.6 2,-0.6 -0.946 13.8-165.2-120.0 130.1 -23.3 -0.5 -7.3 31 41 A E E -JK 20 84B 35 -11,-4.8 -11,-2.5 -2,-0.5 2,-0.4 -0.947 9.7-174.4-112.1 122.5 -22.7 -1.3 -3.7 32 42 A V E +JK 19 83B 0 51,-2.8 51,-2.6 -2,-0.6 2,-0.3 -0.901 14.0 159.3-113.6 144.1 -23.9 1.3 -1.1 33 43 A S E -JK 18 82B 2 -15,-1.8 -15,-3.1 -2,-0.4 2,-0.4 -0.995 31.5-141.0-160.1 163.0 -23.2 0.9 2.6 34 44 A V S S- 0 0 3 47,-1.8 6,-0.4 -2,-0.3 -19,-0.1 -0.997 83.8 -4.8-131.1 133.3 -22.9 2.6 6.0 35 45 A G S S+ 0 0 6 -19,-0.4 5,-0.3 -2,-0.4 -1,-0.2 0.925 70.4 157.4 50.7 54.5 -20.2 1.8 8.6 36 46 A K S S+ 0 0 100 3,-0.1 -1,-0.1 -3,-0.1 46,-0.0 0.712 82.5 26.2 -78.8 -22.8 -18.7 -1.1 6.7 37 47 A E S S+ 0 0 172 1,-0.3 -1,-0.0 0, 0.0 -3,-0.0 0.802 135.5 30.9 -96.7 -66.4 -15.4 -0.6 8.6 38 48 A I S S- 0 0 106 0, 0.0 -24,-0.3 0, 0.0 -1,-0.3 -0.799 97.5-133.2 -93.3 93.8 -16.7 1.0 11.9 39 49 A P - 0 0 102 0, 0.0 -4,-0.2 0, 0.0 -3,-0.1 -0.088 12.4-129.4 -47.5 134.6 -20.2 -0.6 12.2 40 50 A H - 0 0 14 -6,-0.4 8,-0.1 -5,-0.3 -25,-0.1 -0.569 41.8 -82.0 -77.4 150.7 -23.0 1.7 13.0 41 51 A P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.315 44.4-166.0 -50.6 131.2 -25.3 0.7 15.8 42 52 A N + 0 0 27 5,-0.2 5,-0.2 -3,-0.1 3,-0.0 -0.758 37.1 118.5-126.2 86.6 -27.8 -1.8 14.6 43 53 A T S S- 0 0 47 3,-3.5 3,-0.2 -2,-0.4 32,-0.2 -0.924 76.3-100.0-140.0 165.5 -30.6 -2.1 17.2 44 54 A P S S+ 0 0 25 0, 0.0 3,-0.1 0, 0.0 31,-0.1 0.883 125.3 44.6 -56.1 -38.2 -34.4 -1.4 17.3 45 55 A E S S+ 0 0 100 1,-0.2 2,-0.4 29,-0.1 347,-0.0 0.768 126.3 25.0 -76.3 -30.4 -33.7 1.9 19.0 46 56 A H S S+ 0 0 23 -3,-0.2 -3,-3.5 28,-0.1 2,-0.3 -0.962 79.7 112.4-145.3 125.6 -30.8 3.0 16.7 47 57 A H - 0 0 23 -2,-0.4 55,-2.1 -5,-0.2 2,-0.6 -0.988 63.7 -87.3-173.6 171.1 -30.0 1.9 13.2 48 58 A I E -B 101 0A 3 -2,-0.3 53,-0.2 -7,-0.2 23,-0.1 -0.875 38.0-173.2 -94.3 125.1 -29.7 2.8 9.5 49 59 A A E - 0 0 21 51,-2.8 22,-2.4 -2,-0.6 2,-0.3 0.831 53.3 -17.8 -91.3 -37.1 -33.2 2.3 8.0 50 60 A W E -BC 100 70A 4 50,-0.8 50,-1.9 20,-0.2 2,-0.3 -0.990 43.9-143.4-163.0 171.4 -32.6 2.9 4.3 51 61 A I E -BC 99 69A 0 18,-1.8 18,-2.6 -2,-0.3 2,-0.4 -0.996 10.8-157.3-144.5 137.8 -30.5 4.1 1.4 52 62 A E E -BC 98 68A 0 46,-2.4 46,-2.7 -2,-0.3 2,-0.6 -0.955 9.3-151.5-117.3 136.5 -31.6 5.7 -1.9 53 63 A L E -BC 97 67A 0 14,-2.8 13,-3.0 -2,-0.4 14,-1.3 -0.940 15.7-174.6-113.0 118.1 -29.3 5.6 -5.0 54 64 A Y E -BC 96 65A 0 42,-3.3 42,-2.6 -2,-0.6 2,-0.5 -0.816 13.7-153.9-112.0 152.3 -29.7 8.4 -7.5 55 65 A F E -BC 95 64A 0 9,-2.4 9,-2.6 -2,-0.3 40,-0.2 -0.978 3.2-167.6-126.5 118.4 -28.0 8.9 -10.8 56 66 A H E -B 94 0A 37 38,-3.2 38,-2.0 -2,-0.5 4,-0.1 -0.839 20.0-151.2-105.6 94.9 -27.6 12.4 -12.2 57 67 A P E > -B 93 0A 9 0, 0.0 3,-0.7 0, 0.0 36,-0.3 -0.350 21.6-105.5 -66.8 144.1 -26.6 11.9 -15.8 58 68 A E T 3 S+ 0 0 128 34,-2.9 34,-0.1 1,-0.3 3,-0.1 -0.364 111.2 29.7 -65.7 145.8 -24.4 14.5 -17.6 59 69 A G T 3 S+ 0 0 94 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.917 103.3 111.3 62.8 35.1 -26.5 16.6 -19.9 60 70 A G < - 0 0 29 -3,-0.7 -1,-0.2 1,-0.1 -4,-0.0 -0.985 59.9-153.0-140.6 135.0 -29.4 16.0 -17.6 61 71 A Q S S+ 0 0 120 -2,-0.3 -1,-0.1 -3,-0.1 274,-0.1 0.858 76.9 43.4 -75.6 -34.5 -31.1 18.6 -15.5 62 72 A F S S- 0 0 24 272,-0.2 2,-0.2 274,-0.1 274,-0.1 -0.871 78.0-117.1-121.2 152.1 -32.4 16.2 -12.8 63 73 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.542 31.1-141.6 -77.9 142.7 -31.1 13.2 -10.7 64 74 A I E -C 55 0A 30 -9,-2.6 -9,-2.4 -2,-0.2 2,-0.5 -0.919 12.6-122.9-113.7 129.6 -33.0 10.0 -11.2 65 75 A L E +C 54 0A 0 -2,-0.5 -11,-0.2 -11,-0.2 3,-0.1 -0.556 29.8 177.6 -70.7 118.7 -33.9 7.5 -8.5 66 76 A V E - 0 0 0 -13,-3.0 122,-1.1 -2,-0.5 123,-0.8 0.880 60.9 -24.8 -87.3 -45.4 -32.3 4.2 -9.5 67 77 A G E -CD 53 187A 0 -14,-1.3 -14,-2.8 120,-0.2 2,-0.4 -0.990 48.4-146.3-166.0 158.7 -33.3 2.2 -6.5 68 78 A R E -CD 52 186A 0 118,-1.6 118,-3.2 -2,-0.3 2,-0.4 -0.993 13.8-163.2-132.9 140.0 -34.1 2.2 -2.8 69 79 A V E -CD 51 185A 1 -18,-2.6 -18,-1.8 -2,-0.4 2,-0.5 -0.976 3.8-157.8-128.3 137.0 -33.3 -0.3 -0.1 70 80 A E E -CD 50 184A 13 114,-3.4 114,-1.8 -2,-0.4 2,-0.9 -0.949 7.8-156.2-115.9 130.7 -34.8 -0.8 3.3 71 81 A F E + D 0 183A 3 -22,-2.4 112,-0.2 -2,-0.5 111,-0.1 -0.863 25.1 174.3-102.1 95.1 -33.0 -2.7 6.1 72 82 A T + 0 0 35 110,-1.2 2,-0.4 -2,-0.9 111,-0.2 0.503 47.2 58.5 -90.6 -8.2 -36.0 -3.7 8.1 73 83 A N + 0 0 12 109,-0.8 6,-2.4 107,-0.1 107,-0.0 -0.983 45.6 176.1-124.1 138.4 -35.0 -6.0 11.0 74 84 A H B +L 78 0B 22 -2,-0.4 4,-0.2 4,-0.2 -28,-0.1 0.005 69.1 46.5-130.4 32.9 -32.5 -5.0 13.7 75 85 A S S S+ 0 0 80 2,-1.2 3,-0.1 -32,-0.2 -2,-0.1 0.389 114.2 6.3-129.5 -86.1 -32.3 -7.9 16.2 76 86 A D S S+ 0 0 52 1,-0.3 2,-0.2 129,-0.1 129,-0.1 -0.858 133.0 34.7-154.5 110.5 -32.0 -11.4 14.7 77 87 A P S S- 0 0 0 0, 0.0 -2,-1.2 0, 0.0 2,-0.7 0.485 91.5-151.3 -70.0 162.5 -31.6 -11.4 11.8 78 88 A L E -LM 74 204B 45 126,-3.1 126,-2.2 -4,-0.2 2,-0.8 -0.901 6.4-146.4-106.7 106.0 -29.6 -8.2 11.8 79 89 A T E - 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