==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-00 1DQI . COMPND 2 MOLECULE: SUPEROXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR A.P.YEH,Y.HU,F.E.JENNEY JR.,M.W.W.ADAMS,D.C.REES . 496 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 45.2 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 . 63 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 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 PARALLEL BRIDGES PER LADDER . 10 4 0 0 2 4 8 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 4 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 1 A M > 0 0 112 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 135.5 33.9 -3.5 34.8 2 2 A I G > + 0 0 1 1,-0.3 3,-2.4 2,-0.2 4,-0.3 0.797 360.0 76.9 -61.6 -26.4 30.5 -4.2 33.2 3 3 A S G > S+ 0 0 34 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.729 77.7 73.3 -56.4 -22.7 32.4 -4.7 29.9 4 4 A E G < S+ 0 0 103 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.544 98.2 48.1 -70.5 -5.1 33.4 -8.1 31.2 5 5 A T G < S+ 0 0 5 -3,-2.4 111,-0.8 -4,-0.1 2,-0.5 0.371 93.9 90.8-112.9 -0.7 29.8 -9.2 30.6 6 6 A I E < -a 116 0A 19 -3,-1.4 2,-0.3 -4,-0.3 111,-0.2 -0.875 60.5-157.1-104.3 123.5 29.5 -7.8 27.1 7 7 A R E -a 117 0A 70 109,-2.5 111,-2.2 -2,-0.5 3,-0.1 -0.711 16.3-179.8 -97.9 148.6 30.4 -9.9 24.1 8 8 A S + 0 0 61 -2,-0.3 2,-0.4 109,-0.2 -1,-0.1 0.375 65.3 67.1-123.9 -2.8 31.4 -8.5 20.7 9 9 A G S S- 0 0 48 110,-0.0 -1,-0.1 7,-0.0 110,-0.0 -0.983 73.6-134.1-128.9 127.5 32.0 -11.8 18.7 10 10 A D - 0 0 60 -2,-0.4 2,-0.4 -3,-0.1 5,-0.1 -0.289 15.7-133.6 -69.5 156.2 29.3 -14.3 17.8 11 11 A W B > -J 14 0B 98 3,-0.6 3,-1.5 -2,-0.0 2,-0.2 -0.878 40.5 -91.6-107.1 146.5 30.0 -18.0 18.3 12 12 A K T 3 S+ 0 0 213 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.395 110.1 40.1 -61.4 126.9 29.1 -20.2 15.3 13 13 A G T 3 S+ 0 0 80 -2,-0.2 2,-0.3 26,-0.0 -1,-0.2 0.071 110.2 47.4 125.8 -26.5 25.5 -21.4 15.5 14 14 A E B < -J 11 0B 36 -3,-1.5 -3,-0.6 27,-0.1 2,-0.5 -0.949 69.6-137.1-151.5 127.5 23.6 -18.4 16.9 15 15 A K + 0 0 57 24,-0.4 -3,-0.0 -2,-0.3 20,-0.0 -0.744 40.1 143.1 -89.4 123.1 23.6 -14.7 15.8 16 16 A H + 0 0 0 -2,-0.5 -1,-0.2 19,-0.1 101,-0.1 0.613 35.9 105.0-124.9 -36.3 23.7 -12.2 18.7 17 17 A V S S- 0 0 19 1,-0.1 2,-0.5 18,-0.1 19,-0.4 -0.309 73.5-124.0 -56.3 122.8 25.9 -9.3 17.5 18 18 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 17,-0.2 -0.587 23.6-141.9 -72.6 118.2 23.8 -6.3 16.5 19 19 A V E -K 34 0C 45 15,-3.0 15,-1.7 -2,-0.5 2,-0.5 -0.706 13.5-152.9 -84.8 127.0 24.6 -5.4 12.9 20 20 A I E +K 33 0C 16 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.868 20.8 165.0-105.8 130.9 24.7 -1.6 12.3 21 21 A E E -K 32 0C 72 11,-2.5 11,-3.2 -2,-0.5 2,-0.3 -0.983 9.6-178.1-138.9 147.2 24.0 -0.1 8.9 22 22 A Y E -K 31 0C 69 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.966 19.9-154.2-147.5 164.0 23.2 3.5 8.0 23 23 A E E -K 30 0C 117 7,-1.9 7,-2.8 -2,-0.3 2,-0.7 -0.986 17.2-143.4-140.2 124.9 22.4 5.9 5.2 24 24 A R E +K 29 0C 75 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.822 21.6 174.8 -95.0 115.5 23.2 9.6 5.3 25 25 A E E > -K 28 0C 84 3,-3.3 3,-2.1 -2,-0.7 2,-0.4 -0.870 60.5 -62.7-123.0 96.2 20.5 11.8 3.7 26 26 A G T 3 S- 0 0 73 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.515 119.6 -14.2 68.3-123.4 21.1 15.5 4.1 27 27 A E T 3 S+ 0 0 83 -2,-0.4 72,-2.0 -3,-0.1 2,-0.4 0.449 124.1 91.4 -90.4 -1.4 21.0 16.3 7.8 28 28 A L E < -KL 25 98C 46 -3,-2.1 -3,-3.3 70,-0.2 2,-0.5 -0.786 55.8-165.3-102.5 138.6 19.4 13.0 8.5 29 29 A V E -KL 24 97C 0 68,-3.2 68,-3.0 -2,-0.4 2,-0.7 -0.961 10.3-158.0-120.7 108.5 21.2 9.7 9.3 30 30 A K E -KL 23 96C 61 -7,-2.8 -7,-1.9 -2,-0.5 2,-0.5 -0.806 13.4-167.3 -91.2 117.4 19.0 6.7 9.0 31 31 A V E -KL 22 95C 0 64,-3.1 64,-2.7 -2,-0.7 2,-0.5 -0.916 10.5-168.3-113.9 128.6 20.3 3.8 11.1 32 32 A K E -KL 21 94C 81 -11,-3.2 -11,-2.5 -2,-0.5 2,-0.4 -0.950 7.9-179.8-113.7 127.4 19.2 0.2 11.0 33 33 A V E +KL 20 93C 0 60,-3.3 60,-3.7 -2,-0.5 2,-0.3 -0.992 9.6 167.0-126.5 134.0 20.4 -2.2 13.7 34 34 A Q E -KL 19 92C 18 -15,-1.7 -15,-3.0 -2,-0.4 2,-0.5 -1.000 30.0-141.7-151.5 150.8 19.4 -5.8 13.7 35 35 A V S S+ 0 0 5 56,-1.9 6,-0.4 -2,-0.3 14,-0.1 -0.945 88.7 16.3-110.3 126.5 20.2 -9.2 15.3 36 36 A G + 0 0 7 -2,-0.5 -1,-0.2 -19,-0.4 56,-0.0 0.873 68.8 172.9 82.5 40.4 20.1 -12.2 13.1 37 37 A K S S+ 0 0 108 -3,-0.3 -2,-0.1 1,-0.1 55,-0.0 0.907 79.8 5.6 -43.4 -65.8 20.1 -10.7 9.7 38 38 A E S S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.0 0, 0.0 0.893 140.2 38.2 -90.0 -49.5 20.5 -13.8 7.5 39 39 A I S S- 0 0 102 0, 0.0 -24,-0.4 0, 0.0 -1,-0.3 -0.883 94.8-132.7-105.7 99.7 20.2 -16.6 10.1 40 40 A P - 0 0 90 0, 0.0 -4,-0.2 0, 0.0 -25,-0.1 -0.130 9.8-123.9 -55.5 144.2 17.5 -15.4 12.6 41 41 A H - 0 0 11 -6,-0.4 8,-0.1 1,-0.1 -25,-0.1 -0.568 46.6 -86.5 -81.0 149.4 18.1 -15.5 16.4 42 42 A P - 0 0 50 0, 0.0 7,-0.4 0, 0.0 2,-0.2 -0.217 38.0-166.3 -57.5 151.7 15.4 -17.5 18.1 43 43 A N + 0 0 17 5,-0.2 2,-0.3 -3,-0.1 5,-0.2 -0.644 35.3 131.8-140.7 78.6 12.3 -15.5 19.1 44 44 A T S S- 0 0 44 3,-2.9 32,-0.1 -2,-0.2 3,-0.1 -0.753 72.4-101.1-122.3 169.8 10.3 -17.7 21.6 45 45 A T S S+ 0 0 3 -2,-0.3 3,-0.1 1,-0.2 31,-0.1 0.869 125.6 41.6 -59.4 -34.5 8.8 -17.0 24.9 46 46 A E S S+ 0 0 46 1,-0.2 2,-0.4 411,-0.1 -1,-0.2 0.713 124.8 28.1 -85.4 -24.9 11.8 -18.8 26.5 47 47 A H S S+ 0 0 26 28,-0.1 -3,-2.9 -3,-0.1 2,-0.3 -0.924 77.4 126.5-145.7 115.2 14.6 -17.3 24.3 48 48 A H - 0 0 10 -2,-0.4 64,-2.7 -5,-0.2 2,-0.5 -0.996 58.0 -94.7-163.3 162.8 14.5 -13.9 22.6 49 49 A I E -B 111 0A 5 -7,-0.4 62,-0.2 -2,-0.3 23,-0.1 -0.745 32.4-167.3 -85.2 124.3 16.3 -10.6 22.0 50 50 A R E - 0 0 30 60,-2.8 22,-2.3 -2,-0.5 2,-0.3 0.854 55.7 -26.2 -82.2 -38.3 14.8 -8.0 24.4 51 51 A Y E -BC 110 71A 2 59,-0.7 59,-1.5 20,-0.2 2,-0.4 -0.992 43.1-136.0-168.6 167.5 16.1 -4.7 23.0 52 52 A I E -BC 109 70A 0 18,-2.1 18,-2.7 -2,-0.3 2,-0.4 -0.997 18.6-162.7-135.5 135.6 18.7 -2.8 21.0 53 53 A E E -BC 108 69A 0 55,-2.8 55,-2.1 -2,-0.4 2,-0.4 -0.930 5.8-151.1-119.3 144.3 20.2 0.5 22.1 54 54 A L E -BC 107 68A 0 14,-2.5 13,-2.7 -2,-0.4 14,-1.5 -0.967 13.7-176.5-120.1 133.2 22.0 3.0 19.8 55 55 A Y E -BC 106 66A 0 51,-3.0 51,-2.3 -2,-0.4 2,-0.4 -0.891 9.3-158.5-125.2 154.9 24.7 5.4 21.0 56 56 A F E -BC 105 65A 0 9,-2.9 9,-2.5 -2,-0.3 49,-0.2 -0.980 6.0-171.7-139.2 123.4 26.8 8.1 19.2 57 57 A L E -B 104 0A 30 47,-2.7 47,-2.2 -2,-0.4 7,-0.1 -0.928 26.8-135.8-113.8 103.7 30.1 9.5 20.2 58 58 A P E > -B 103 0A 2 0, 0.0 3,-2.3 0, 0.0 45,-0.3 -0.274 36.0 -87.1 -58.9 144.1 30.9 12.5 18.0 59 59 A E T 3 S+ 0 0 144 43,-3.0 43,-0.1 1,-0.3 3,-0.1 -0.267 112.1 7.1 -55.0 128.1 34.5 12.7 16.7 60 60 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.443 102.8 120.3 80.0 0.0 36.8 14.4 19.2 61 61 A E < - 0 0 60 -3,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.566 57.1-144.1 -96.9 163.0 34.1 14.7 21.9 62 62 A N S S+ 0 0 116 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.564 75.8 64.3-101.8 -11.1 34.2 13.2 25.4 63 63 A F - 0 0 45 177,-0.1 177,-0.2 -5,-0.1 -1,-0.1 -0.943 69.5-139.9-126.3 121.0 30.7 12.2 26.1 64 64 A V - 0 0 1 -2,-0.5 2,-0.4 66,-0.3 176,-0.4 -0.367 17.6-143.2 -70.5 148.7 28.7 9.5 24.3 65 65 A Y E -C 56 0A 4 -9,-2.5 -9,-2.9 174,-0.1 2,-0.6 -0.939 9.8-131.1-116.0 136.8 25.0 10.2 23.6 66 66 A Q E -C 55 0A 1 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.773 21.4-173.4 -84.0 123.2 22.2 7.7 23.7 67 67 A V E - 0 0 0 -13,-2.7 256,-1.4 -2,-0.6 257,-0.8 0.874 56.7 -44.0 -84.3 -42.2 20.4 8.1 20.4 68 68 A G E -CD 54 322A 0 -14,-1.5 -14,-2.5 254,-0.2 2,-0.4 -0.993 41.5-129.9-175.4 174.4 17.6 5.7 21.2 69 69 A R E -CD 53 321A 3 252,-1.6 252,-3.0 -2,-0.3 2,-0.5 -0.996 13.2-163.8-142.7 134.5 16.3 2.4 22.6 70 70 A V E -CD 52 320A 1 -18,-2.7 -18,-2.1 -2,-0.4 2,-0.5 -0.985 6.5-160.6-124.6 121.4 14.0 -0.1 21.0 71 71 A E E -CD 51 319A 7 248,-2.9 248,-1.6 -2,-0.5 2,-0.9 -0.889 7.8-152.8-103.5 127.8 12.3 -2.7 23.1 72 72 A F E + D 0 318A 4 -22,-2.3 246,-0.2 -2,-0.5 245,-0.1 -0.884 24.7 170.2 -99.3 104.8 10.9 -5.8 21.3 73 73 A T + 0 0 10 244,-1.4 2,-0.5 -2,-0.9 243,-0.2 0.514 43.0 81.3-101.7 -5.5 8.1 -6.8 23.7 74 74 A A + 0 0 0 243,-0.8 15,-2.9 241,-0.1 243,-0.1 -0.899 38.7 157.9-106.5 125.4 6.0 -9.5 22.1 75 75 A H B -O 88 0D 2 -2,-0.5 8,-0.4 13,-0.2 13,-0.2 -0.068 68.6 -84.3-138.1 37.9 7.4 -13.1 22.2 76 76 A G S S+ 0 0 0 11,-2.2 9,-2.5 1,-0.2 8,-2.5 0.278 77.2 146.9 82.2 -9.8 4.4 -15.5 21.7 77 77 A E + 0 0 2 6,-0.2 2,-0.3 5,-0.2 -1,-0.2 -0.277 16.0 151.1 -60.9 143.3 3.3 -15.5 25.3 78 78 A S B > -S 81 0E 11 3,-0.6 3,-2.1 343,-0.1 410,-0.1 -0.977 62.0 -94.1-163.7 167.4 -0.5 -15.9 25.9 79 79 A V T 3 S+ 0 0 70 409,-0.4 -2,-0.1 1,-0.3 409,-0.1 0.674 123.1 61.3 -62.8 -14.6 -3.0 -17.2 28.4 80 80 A N T 3 S- 0 0 138 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.171 122.4 -84.9 -97.6 16.6 -3.0 -20.3 26.3 81 81 A G B X -S 78 0E 23 -3,-2.1 3,-0.8 340,-0.1 -3,-0.6 -0.336 62.7 -36.0 110.0 171.1 0.7 -20.9 27.0 82 82 A P T 3 S+ 0 0 47 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.416 122.3 12.9 -69.2 144.9 4.1 -20.0 25.8 83 83 A N T 3 S+ 0 0 57 -8,-0.4 -6,-0.2 4,-0.1 -7,-0.1 0.846 98.9 104.7 59.5 40.6 4.5 -19.5 22.0 84 84 A T < + 0 0 60 -8,-2.5 -7,-0.2 -3,-0.8 -1,-0.1 0.493 52.5 77.1-126.0 -8.6 0.8 -19.5 21.3 85 85 A S S S- 0 0 1 -9,-2.5 -8,-0.1 -4,-0.2 3,-0.1 0.716 81.7-140.6 -77.3 -20.6 -0.1 -15.8 20.7 86 86 A D + 0 0 58 -10,-0.2 2,-0.5 1,-0.2 265,-0.4 0.773 67.5 117.8 62.5 26.3 1.3 -15.8 17.1 87 87 A V + 0 0 0 262,-0.1 -11,-2.2 263,-0.1 2,-0.4 -0.961 35.1 160.6-127.5 111.4 2.5 -12.3 18.0 88 88 A Y E -OP 75 348D 29 260,-1.7 260,-3.5 -2,-0.5 2,-0.6 -0.996 31.5-141.9-134.6 137.0 6.3 -11.8 17.9 89 89 A T E - 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