==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-04 1XLO . COMPND 2 MOLECULE: PUTIDAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR I.F.SEVRIOUKOVA . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 15.1 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 0.9 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 . 22 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 3 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 2 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 2 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 28 0, 0.0 16,-4.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.3 17.8 25.0 35.1 2 2 A K E +A 16 0A 58 14,-0.2 94,-2.8 90,-0.1 95,-0.6 -0.554 360.0 174.8 -84.0 137.3 18.4 23.1 31.9 3 3 A V E -Ab 15 97A 0 12,-2.2 12,-2.9 -2,-0.3 2,-0.5 -0.998 15.5-151.7-136.9 135.2 17.1 19.6 31.2 4 4 A V E -Ab 14 98A 18 93,-2.8 95,-2.4 -2,-0.4 2,-0.6 -0.946 3.6-161.4-116.0 127.2 17.5 17.7 27.9 5 5 A Y E -Ab 13 99A 4 8,-3.3 8,-2.4 -2,-0.5 2,-0.6 -0.925 4.2-165.8-108.5 118.8 15.0 15.0 26.8 6 6 A V E -Ab 12 100A 10 93,-2.7 95,-2.4 -2,-0.6 6,-0.2 -0.911 13.1-148.2-106.6 117.9 16.2 12.7 24.0 7 7 A S > - 0 0 8 4,-2.8 3,-1.6 -2,-0.6 96,-0.1 -0.121 32.3 -93.2 -76.2 176.7 13.4 10.6 22.4 8 8 A H T 3 S+ 0 0 119 94,-0.3 95,-0.1 1,-0.3 -1,-0.1 0.945 126.5 49.3 -54.7 -52.9 13.7 7.1 20.9 9 9 A D T 3 S- 0 0 83 127,-0.1 -1,-0.3 1,-0.1 116,-0.2 0.373 124.2-102.8 -72.1 6.7 14.4 8.4 17.4 10 10 A G < + 0 0 39 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.416 69.2 151.6 89.5 -3.5 17.1 10.7 18.8 11 11 A T - 0 0 7 -5,-0.1 -4,-2.8 1,-0.1 2,-0.4 -0.402 34.8-144.0 -63.0 136.1 15.1 13.9 18.6 12 12 A R E -AC 6 123A 96 111,-2.3 111,-2.4 -6,-0.2 2,-0.4 -0.903 19.6-178.4-112.9 132.3 16.2 16.4 21.3 13 13 A R E -A 5 0A 22 -8,-2.4 -8,-3.3 -2,-0.4 2,-0.4 -0.994 10.6-158.3-127.7 125.8 14.1 18.8 23.3 14 14 A E E -A 4 0A 113 -2,-0.4 2,-0.3 107,-0.4 -10,-0.2 -0.888 12.1-175.9-108.1 132.0 15.6 21.2 25.9 15 15 A L E -A 3 0A 15 -12,-2.9 -12,-2.2 -2,-0.4 2,-0.7 -0.903 27.7-129.4-126.3 155.0 13.6 22.7 28.7 16 16 A D E -A 2 0A 117 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.913 33.5-167.4-102.3 110.7 14.2 25.2 31.5 17 17 A V - 0 0 5 -16,-4.0 3,-0.1 -2,-0.7 6,-0.1 -0.889 11.6-134.7-108.7 129.8 13.0 23.5 34.7 18 18 A A > - 0 0 62 -2,-0.5 3,-1.5 1,-0.1 72,-0.2 -0.277 38.6 -80.7 -75.1 162.2 12.5 25.4 38.0 19 19 A D T 3 S+ 0 0 107 1,-0.2 72,-0.2 70,-0.1 -1,-0.1 -0.340 114.8 22.2 -63.1 141.1 13.6 24.1 41.4 20 20 A G T 3 S+ 0 0 55 70,-2.6 2,-0.4 1,-0.3 -1,-0.2 0.349 91.8 120.5 85.8 -7.5 11.3 21.5 43.0 21 21 A V < - 0 0 41 -3,-1.5 69,-2.7 69,-0.2 -1,-0.3 -0.749 60.9-127.2 -92.7 138.3 9.7 20.4 39.7 22 22 A S B > -J 89 0B 5 -2,-0.4 4,-2.4 67,-0.2 67,-0.2 -0.468 18.6-118.7 -81.3 155.3 10.0 16.8 38.7 23 23 A L H > S+ 0 0 0 65,-2.0 4,-1.4 62,-0.9 63,-0.2 0.766 116.9 53.9 -64.0 -23.7 11.3 15.8 35.3 24 24 A M H > S+ 0 0 9 61,-1.1 4,-2.6 64,-0.2 5,-0.3 0.935 107.1 48.9 -74.0 -48.5 8.0 14.1 34.7 25 25 A Q H > S+ 0 0 97 1,-0.2 4,-1.6 60,-0.2 -2,-0.2 0.922 113.2 47.8 -55.8 -46.7 6.0 17.3 35.5 26 26 A A H < S+ 0 0 5 -4,-2.4 4,-0.2 2,-0.2 -1,-0.2 0.867 113.1 48.9 -63.3 -38.7 8.2 19.4 33.2 27 27 A A H ><>S+ 0 0 0 -4,-1.4 5,-2.3 -5,-0.2 3,-1.5 0.962 112.7 43.6 -66.9 -55.1 7.9 16.9 30.4 28 28 A V H ><5S+ 0 0 56 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.760 112.6 54.0 -64.1 -26.2 4.1 16.4 30.4 29 29 A S T 3<5S+ 0 0 88 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.489 111.2 47.3 -86.6 -3.0 3.6 20.2 30.8 30 30 A N T < 5S- 0 0 69 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.156 118.9-100.0-122.6 16.8 5.8 20.8 27.7 31 31 A G T < 5S+ 0 0 13 -3,-0.6 2,-2.2 1,-0.2 -3,-0.2 0.607 70.8 144.5 78.3 10.3 4.4 18.3 25.2 32 32 A I > < + 0 0 4 -5,-2.3 3,-1.8 -6,-0.2 -1,-0.2 -0.567 23.4 177.4 -81.9 78.5 7.1 15.7 25.6 33 33 A Y T 3 + 0 0 129 -2,-2.2 -1,-0.2 1,-0.3 105,-0.1 0.404 61.9 83.7 -67.1 1.8 4.5 12.9 25.1 34 34 A D T 3 S+ 0 0 52 1,-0.1 2,-0.5 103,-0.1 -1,-0.3 0.787 89.8 61.5 -72.7 -25.1 7.0 10.1 25.3 35 35 A I < + 0 0 3 -3,-1.8 13,-0.2 1,-0.2 -1,-0.1 -0.901 66.1 178.2-104.6 125.6 6.6 10.5 29.1 36 36 A V - 0 0 55 11,-2.5 12,-0.2 -2,-0.5 -1,-0.2 0.934 15.2-161.1 -93.0 -61.3 3.0 9.9 30.4 37 37 A G > + 0 0 14 10,-0.7 3,-1.4 2,-0.1 11,-0.1 0.908 19.7 171.8 74.7 42.2 2.7 10.2 34.2 38 38 A D T 3 S+ 0 0 123 1,-0.3 -1,-0.0 2,-0.1 10,-0.0 0.840 74.5 46.5 -53.1 -40.5 -0.5 8.2 34.4 39 39 A C T 3 S- 0 0 36 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.561 116.0-111.1 -83.0 -7.9 -0.5 8.1 38.2 40 40 A G < - 0 0 59 -3,-1.4 -2,-0.1 1,-0.1 -3,-0.0 0.568 67.9 -56.3 92.2 7.3 0.3 11.8 38.6 41 41 A G S S+ 0 0 26 -17,-0.0 -1,-0.1 -16,-0.0 -16,-0.1 0.679 102.1 116.5 98.2 19.1 3.8 11.5 40.0 42 42 A S S S- 0 0 55 -3,-0.0 -2,-0.0 -5,-0.0 45,-0.0 0.023 86.1-109.3-106.3 25.1 3.3 9.3 43.1 43 43 A A S S+ 0 0 4 1,-0.1 27,-0.1 27,-0.0 28,-0.1 0.889 87.3 110.9 50.3 53.8 5.5 6.4 41.7 44 44 A S S S+ 0 0 71 26,-0.0 -1,-0.1 25,-0.0 23,-0.0 0.192 72.3 40.1-139.9 19.2 2.6 3.9 41.1 45 45 A C S S- 0 0 23 0, 0.0 -7,-0.0 0, 0.0 -2,-0.0 0.521 77.3-144.4-138.3 -25.9 2.3 3.5 37.3 46 46 A A > + 0 0 1 1,-0.1 3,-0.9 28,-0.1 29,-0.2 0.610 61.5 125.4 65.5 13.6 5.8 3.5 35.9 47 47 A T T 3 + 0 0 20 1,-0.2 -11,-2.5 27,-0.1 -10,-0.7 0.188 63.4 63.7 -88.5 18.7 4.6 5.4 32.8 48 48 A C T 3 S+ 0 0 2 -12,-0.2 37,-2.1 -13,-0.2 -1,-0.2 0.071 73.9 154.0-123.4 17.5 7.2 8.1 33.3 49 49 A H E < +D 84 0A 0 -3,-0.9 2,-0.3 35,-0.2 35,-0.2 -0.168 13.3 167.2 -51.8 136.1 10.1 5.7 32.7 50 50 A V E -D 83 0A 0 33,-2.4 33,-3.0 51,-0.2 2,-0.7 -0.976 37.4-122.1-149.4 156.8 13.3 7.3 31.5 51 51 A Y E -DE 82 100A 21 49,-2.9 49,-2.5 -2,-0.3 31,-0.2 -0.908 31.7-138.6-104.9 108.7 17.0 6.3 31.1 52 52 A V E - E 0 99A 0 29,-2.4 47,-0.2 -2,-0.7 5,-0.1 -0.420 25.0-107.1 -67.5 139.3 19.1 8.7 33.0 53 53 A N >> - 0 0 60 45,-2.3 3,-2.2 1,-0.1 4,-1.3 -0.386 24.9-119.5 -67.2 144.1 22.4 9.8 31.3 54 54 A E T 34 S+ 0 0 162 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.686 110.1 65.1 -57.9 -22.4 25.6 8.3 32.7 55 55 A A T 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.493 116.5 28.8 -79.9 -1.8 27.0 11.7 33.5 56 56 A F T <> S+ 0 0 25 -3,-2.2 4,-1.8 42,-0.1 -2,-0.2 0.486 90.1 90.2-132.6 -11.6 24.2 12.1 36.0 57 57 A T T < S+ 0 0 70 -4,-1.3 -3,-0.1 1,-0.2 -2,-0.1 0.745 100.2 44.9 -60.3 -18.3 23.2 8.7 37.2 58 58 A D T 4 S+ 0 0 142 -4,-0.3 -1,-0.2 4,-0.0 -2,-0.1 0.828 114.6 47.5 -89.6 -40.1 25.9 9.4 39.9 59 59 A K T 4 S+ 0 0 130 -4,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.996 94.8 77.5 -63.7 -69.6 24.7 13.0 40.6 60 60 A V S < S- 0 0 7 -4,-1.8 3,-0.1 1,-0.1 28,-0.1 0.023 97.6 -87.3 -45.5 147.1 20.9 12.5 41.0 61 61 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.314 52.2-100.6 -59.9 136.4 19.6 11.1 44.3 62 62 A A - 0 0 94 1,-0.1 -4,-0.0 -3,-0.1 -5,-0.0 -0.180 48.1 -86.8 -57.9 149.7 19.5 7.3 44.4 63 63 A A - 0 0 32 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.278 43.1-129.0 -60.8 141.0 16.1 5.6 43.8 64 64 A N > - 0 0 59 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.247 27.1 -99.8 -82.7 174.7 13.9 5.1 46.8 65 65 A E H > S+ 0 0 177 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.929 122.1 51.3 -63.3 -46.5 12.2 1.8 47.9 66 66 A R H > S+ 0 0 155 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 112.2 46.6 -59.2 -41.0 8.9 2.7 46.4 67 67 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.948 109.0 54.5 -65.9 -49.2 10.5 3.6 43.0 68 68 A I H X S+ 0 0 96 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.899 112.2 45.2 -50.7 -43.7 12.5 0.4 43.0 69 69 A G H >< S+ 0 0 51 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.884 114.2 46.7 -69.9 -38.7 9.3 -1.6 43.4 70 70 A M H >< S+ 0 0 30 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.731 97.7 72.7 -76.3 -22.1 7.3 0.4 40.8 71 71 A L H >< S+ 0 0 14 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.793 83.2 69.4 -62.4 -29.1 10.1 0.2 38.3 72 72 A E T << S+ 0 0 138 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.1 0.664 91.4 61.9 -64.4 -16.5 9.5 -3.5 37.7 73 73 A S T < S+ 0 0 74 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.437 72.6 121.5 -90.6 -0.6 6.2 -2.6 36.0 74 74 A V < - 0 0 17 -3,-1.8 4,-0.1 1,-0.2 32,-0.1 -0.395 53.2-153.3 -63.2 139.4 7.8 -0.6 33.2 75 75 A T S S+ 0 0 59 30,-0.5 -1,-0.2 -29,-0.2 30,-0.1 0.729 74.9 75.1 -85.6 -24.9 6.8 -2.1 29.8 76 76 A A S S- 0 0 6 28,-0.3 2,-0.1 1,-0.2 29,-0.0 -0.295 108.3 -65.9 -80.0 171.5 10.0 -0.8 28.2 77 77 A E - 0 0 123 1,-0.1 2,-0.6 -2,-0.1 -1,-0.2 -0.392 51.0-133.7 -62.9 128.2 13.4 -2.4 28.7 78 78 A L - 0 0 73 -2,-0.1 -1,-0.1 -4,-0.1 -27,-0.0 -0.745 31.3-179.5 -87.6 122.3 14.5 -2.0 32.3 79 79 A K > - 0 0 83 -2,-0.6 3,-2.4 1,-0.1 0, 0.0 -0.751 44.6-100.9-119.1 167.5 18.1 -0.9 32.5 80 80 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.829 126.3 43.8 -54.6 -32.7 20.6 -0.2 35.3 81 81 A N T 3 S+ 0 0 37 2,-0.1 -29,-2.4 -29,-0.0 2,-0.5 0.119 83.0 130.2-101.2 19.9 19.9 3.5 34.7 82 82 A S E < +D 51 0A 4 -3,-2.4 2,-0.3 -31,-0.2 -31,-0.2 -0.626 31.4 167.0 -76.4 124.4 16.2 3.2 34.4 83 83 A R E -D 50 0A 21 -33,-3.0 -33,-2.4 -2,-0.5 2,-0.8 -0.900 42.6-110.8-134.6 163.1 14.4 5.7 36.6 84 84 A L E > -D 49 0A 0 -2,-0.3 3,-3.3 -35,-0.2 4,-0.3 -0.871 25.2-146.1 -96.5 111.2 10.9 7.1 37.1 85 85 A S G > S+ 0 0 0 -37,-2.1 3,-1.1 -2,-0.8 -61,-1.1 0.733 96.3 66.7 -49.4 -25.3 11.1 10.7 35.9 86 86 A C G 3 S+ 0 0 9 1,-0.2 -1,-0.3 -63,-0.2 -64,-0.1 0.575 97.7 55.0 -75.1 -5.7 8.6 11.7 38.5 87 87 A Q G < S+ 0 0 50 -3,-3.3 2,-0.8 1,-0.1 -1,-0.2 0.428 86.9 87.7-104.2 -2.2 11.2 10.8 41.2 88 88 A I < - 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0 0 3 -95,-2.4 -51,-0.2 -2,-0.5 -66,-0.1 -0.723 28.5-113.3 -87.5 127.9 12.7 8.4 26.8 102 102 A P - 0 0 4 0, 0.0 -94,-0.3 0, 0.0 -1,-0.1 0.021 27.1-104.5 -52.7 161.0 12.0 4.7 26.2 103 103 A D S S- 0 0 87 1,-0.1 2,-0.3 -95,-0.1 -94,-0.1 0.792 102.8 -0.3 -58.8 -29.1 10.5 3.3 23.0 104 104 A R - 0 0 107 1,-0.1 -28,-0.3 -27,-0.1 -1,-0.1 -0.981 47.2-155.0-157.0 162.9 7.3 2.9 24.9 105 105 A Q 0 0 6 -2,-0.3 -30,-0.5 -30,-0.1 -56,-0.1 0.434 360.0 360.0-116.8 -11.3 5.7 3.4 28.4 106 106 A W 0 0 221 -31,-0.1 -32,-0.0 -32,-0.1 -60,-0.0 -0.824 360.0 360.0-135.4 360.0 3.0 0.8 28.0 107 !* 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 0.0 108 1 B S 0 0 24 0, 0.0 16,-2.7 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 137.4 19.6 20.3 13.2 109 2 B K E +F 123 0A 71 14,-0.3 94,-2.6 90,-0.1 95,-1.0 -0.468 360.0 176.8 -84.9 145.2 16.9 22.5 14.8 110 3 B V E -Fg 122 204A 0 12,-2.4 12,-3.1 93,-0.2 2,-0.5 -0.991 16.8-149.0-140.7 138.8 13.4 23.3 13.8 111 4 B V E -Fg 121 205A 4 93,-2.5 95,-2.6 -2,-0.3 2,-0.6 -0.960 6.2-159.0-114.3 120.4 10.9 25.4 15.7 112 5 B Y E -Fg 120 206A 0 8,-2.9 8,-2.0 -2,-0.5 2,-0.7 -0.893 6.5-162.6 -99.3 121.0 7.2 24.6 15.3 113 6 B V E -Fg 119 207A 14 93,-2.8 95,-2.8 -2,-0.6 6,-0.2 -0.904 11.8-144.9-107.8 108.9 5.0 27.5 16.3 114 7 B S > - 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