==== 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 1XLN . 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) . 10335.0 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 . 23 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 10.4 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 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 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 29 0, 0.0 16,-3.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 153.2 17.9 24.9 35.0 2 2 A K E +A 16 0A 59 14,-0.2 94,-2.2 90,-0.1 95,-0.7 -0.486 360.0 176.3 -80.1 140.0 18.4 23.0 31.8 3 3 A V E -Ab 15 97A 0 12,-2.0 12,-3.0 -2,-0.2 2,-0.5 -0.996 15.4-151.1-139.3 133.8 17.2 19.5 31.1 4 4 A V E -Ab 14 98A 20 93,-2.8 95,-2.5 -2,-0.4 2,-0.6 -0.935 4.2-162.6-114.6 121.0 17.5 17.6 27.8 5 5 A Y E -Ab 13 99A 1 8,-3.0 8,-2.2 -2,-0.5 2,-0.5 -0.888 6.6-164.2-102.6 118.1 15.0 15.0 26.7 6 6 A V E -Ab 12 100A 16 93,-2.3 95,-3.1 -2,-0.6 6,-0.2 -0.894 10.9-146.2-104.8 122.8 16.2 12.7 24.0 7 7 A S > - 0 0 8 4,-3.0 3,-1.5 -2,-0.5 130,-0.1 -0.194 29.6-101.2 -79.3 174.8 13.6 10.7 22.1 8 8 A H T 3 S+ 0 0 144 93,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.864 125.0 52.3 -64.1 -36.5 13.9 7.2 20.7 9 9 A D T 3 S- 0 0 68 127,-0.1 116,-0.3 2,-0.1 -1,-0.3 0.336 124.7-104.4 -82.7 8.7 14.4 8.7 17.2 10 10 A G < + 0 0 37 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.451 68.6 153.1 84.8 -0.0 17.2 10.9 18.6 11 11 A T - 0 0 4 -5,-0.1 -4,-3.0 113,-0.1 2,-0.5 -0.445 32.5-148.9 -64.5 130.5 15.1 14.1 18.6 12 12 A R E -AC 6 123A 104 111,-2.2 111,-2.3 -6,-0.2 2,-0.4 -0.894 16.9-176.8-111.0 132.5 16.4 16.4 21.3 13 13 A R E -A 5 0A 9 -8,-2.2 -8,-3.0 -2,-0.5 2,-0.5 -0.991 10.6-156.3-127.3 125.2 14.3 18.9 23.3 14 14 A E E -A 4 0A 116 -2,-0.4 2,-0.3 107,-0.4 -10,-0.2 -0.876 14.2-173.8-104.0 129.7 15.9 21.3 25.8 15 15 A L E -A 3 0A 12 -12,-3.0 -12,-2.0 -2,-0.5 2,-0.8 -0.923 26.2-131.7-124.9 149.8 13.7 22.6 28.6 16 16 A D E -A 2 0A 122 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.867 32.6-166.6 -98.9 106.1 14.2 25.2 31.3 17 17 A V - 0 0 5 -16,-3.8 3,-0.1 -2,-0.8 2,-0.1 -0.838 10.7-135.8-103.7 129.8 13.1 23.6 34.6 18 18 A A > - 0 0 62 -2,-0.5 3,-1.7 1,-0.1 72,-0.2 -0.327 38.1 -80.9 -77.5 158.6 12.4 25.5 37.8 19 19 A D T 3 S+ 0 0 108 1,-0.2 72,-0.2 70,-0.1 -1,-0.1 -0.304 114.8 20.7 -59.7 136.1 13.5 24.3 41.3 20 20 A G T 3 S+ 0 0 52 70,-2.6 2,-0.4 1,-0.3 -1,-0.2 0.380 91.9 122.4 88.2 -5.6 11.2 21.7 42.8 21 21 A V < - 0 0 41 -3,-1.7 69,-2.7 69,-0.2 -1,-0.3 -0.759 59.4-128.6 -93.4 136.2 9.6 20.6 39.6 22 22 A S B > -J 89 0B 6 -2,-0.4 4,-2.2 67,-0.2 67,-0.2 -0.449 19.5-117.6 -79.5 156.1 9.9 16.9 38.6 23 23 A L H > S+ 0 0 0 65,-2.0 4,-1.8 62,-1.1 63,-0.2 0.770 116.8 55.3 -63.7 -24.2 11.2 15.9 35.2 24 24 A M H > S+ 0 0 13 61,-0.9 4,-2.5 64,-0.3 5,-0.3 0.936 106.1 49.2 -72.7 -47.4 7.8 14.3 34.6 25 25 A Q H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.922 113.3 46.9 -58.1 -44.7 5.9 17.6 35.3 26 26 A A H X S+ 0 0 7 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.903 111.6 52.3 -65.4 -40.5 8.2 19.5 33.0 27 27 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 3,-1.4 0.971 114.3 38.9 -60.7 -56.2 7.9 16.9 30.3 28 28 A V H ><5S+ 0 0 50 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.812 111.1 61.0 -65.5 -28.7 4.1 16.8 30.2 29 29 A S H 3<5S+ 0 0 86 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.618 110.2 42.6 -73.0 -11.8 3.9 20.5 30.7 30 30 A N T <<5S- 0 0 44 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.102 122.8 -92.6-124.1 23.5 5.9 21.0 27.4 31 31 A G T < 5S+ 0 0 7 -3,-1.0 2,-1.7 1,-0.2 -3,-0.2 0.580 79.7 135.1 81.2 7.8 4.3 18.5 25.0 32 32 A I > < + 0 0 5 -5,-2.6 3,-1.0 -6,-0.2 -1,-0.2 -0.631 23.0 166.5 -89.6 78.4 6.7 15.6 25.7 33 33 A Y G > + 0 0 110 -2,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.562 51.3 89.1 -72.2 -10.5 3.8 13.1 25.9 34 34 A D G 3 S+ 0 0 41 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.780 97.7 36.8 -59.2 -25.9 6.1 10.0 25.7 35 35 A I G < S+ 0 0 0 -3,-1.0 -1,-0.3 13,-0.1 -7,-0.2 -0.128 77.3 159.6-120.4 39.3 6.4 10.1 29.5 36 36 A V < - 0 0 62 -3,-1.5 2,-1.0 1,-0.1 -11,-0.1 -0.388 43.1-123.7 -61.4 135.5 2.9 11.2 30.7 37 37 A G > - 0 0 14 1,-0.2 3,-0.7 -13,-0.1 -1,-0.1 -0.728 25.9-174.5 -89.2 102.3 2.5 10.1 34.3 38 38 A D T 3 S+ 0 0 130 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.0 0.898 85.8 47.8 -60.5 -44.5 -0.7 8.0 34.6 39 39 A C T 3 S- 0 0 38 1,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.616 116.9-112.5 -74.6 -12.0 -0.6 7.8 38.4 40 40 A G < - 0 0 60 -3,-0.7 -2,-0.1 1,-0.2 -1,-0.1 0.550 65.1 -58.8 94.3 6.4 -0.0 11.5 38.7 41 41 A G S S+ 0 0 26 -17,-0.0 -1,-0.2 -16,-0.0 -16,-0.1 0.631 103.1 115.1 98.1 15.2 3.5 11.5 40.0 42 42 A S S S- 0 0 55 -3,-0.1 -2,-0.0 24,-0.0 45,-0.0 -0.000 90.9-103.6-104.8 27.0 3.2 9.5 43.3 43 43 A A S S+ 0 0 4 1,-0.1 27,-0.1 27,-0.0 3,-0.0 0.914 87.6 122.7 53.6 48.5 5.3 6.5 42.1 44 44 A S S S+ 0 0 73 26,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.238 70.2 24.8-121.1 8.5 2.3 4.3 41.5 45 45 A C - 0 0 17 -7,-0.0 29,-0.1 22,-0.0 28,-0.1 -0.749 68.3-127.5-149.3-164.2 2.8 3.5 37.8 46 46 A A S > S+ 0 0 9 -2,-0.2 3,-0.9 27,-0.2 29,-0.3 0.143 71.7 106.4-145.6 23.2 5.7 3.3 35.3 47 47 A T T 3 S+ 0 0 24 1,-0.2 59,-0.0 27,-0.1 37,-0.0 0.378 75.7 62.2 -87.3 5.5 4.6 5.4 32.3 48 48 A C T 3 S+ 0 0 2 2,-0.1 37,-2.4 -11,-0.0 -1,-0.2 0.124 76.9 145.8-111.6 16.2 7.1 8.2 33.2 49 49 A H E < +D 84 0A 0 -3,-0.9 2,-0.3 35,-0.2 35,-0.2 -0.255 18.5 164.9 -57.1 134.8 10.0 5.8 32.8 50 50 A V E -D 83 0A 0 33,-2.6 33,-2.8 51,-0.2 2,-0.6 -0.951 37.8-117.5-146.8 164.1 13.2 7.3 31.4 51 51 A Y E -DE 82 100A 26 49,-2.9 49,-3.1 -2,-0.3 2,-0.5 -0.937 26.7-141.9-108.5 116.3 16.9 6.4 31.1 52 52 A V E - E 0 99A 3 29,-2.5 47,-0.2 -2,-0.6 5,-0.1 -0.660 29.2-109.9 -78.7 125.2 19.2 8.7 33.0 53 53 A N > - 0 0 65 45,-2.4 3,-3.0 -2,-0.5 4,-0.2 -0.256 20.8-122.3 -55.7 136.3 22.4 9.3 31.0 54 54 A E G > S+ 0 0 117 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.779 109.6 73.0 -50.3 -29.1 25.4 7.7 32.6 55 55 A A G 3 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.641 112.2 26.1 -63.0 -13.6 26.9 11.1 32.7 56 56 A F G < S+ 0 0 33 -3,-3.0 -1,-0.3 42,-0.2 -2,-0.2 0.157 84.4 118.1-135.0 17.8 24.5 11.9 35.5 57 57 A T S < S+ 0 0 68 -3,-1.2 3,-0.3 -4,-0.2 -2,-0.1 0.863 89.7 28.3 -54.6 -41.7 23.9 8.5 37.0 58 58 A D S S+ 0 0 125 -4,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.806 104.8 74.0 -91.7 -33.9 25.3 9.4 40.4 59 59 A K S S+ 0 0 115 -4,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.270 91.0 78.1 -64.9 16.5 24.6 13.2 40.4 60 60 A V S S- 0 0 10 -3,-0.3 3,-0.1 -4,-0.1 28,-0.0 -0.993 95.0 -98.0-131.6 134.4 20.9 12.2 41.0 61 61 A P - 0 0 93 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.165 49.4-106.1 -48.6 133.7 19.2 11.1 44.2 62 62 A A - 0 0 91 1,-0.1 -4,-0.0 -4,-0.1 2,-0.0 -0.257 39.1 -95.6 -63.8 148.8 19.0 7.3 44.4 63 63 A A - 0 0 30 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.329 39.2-136.4 -64.8 145.1 15.6 5.7 43.8 64 64 A N > - 0 0 63 -3,-0.1 4,-3.0 1,-0.0 5,-0.2 -0.322 32.2 -87.3 -94.2-178.6 13.6 4.8 46.9 65 65 A E H > S+ 0 0 177 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 124.8 51.6 -58.2 -45.7 11.6 1.6 47.7 66 66 A R H > S+ 0 0 151 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 114.6 43.6 -59.1 -45.5 8.4 2.7 46.0 67 67 A E H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.954 110.8 54.1 -64.3 -51.3 10.2 3.6 42.9 68 68 A I H X S+ 0 0 100 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.914 111.2 47.1 -48.2 -48.9 12.3 0.5 42.9 69 69 A G H >< S+ 0 0 45 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.924 112.6 47.8 -61.8 -46.0 9.2 -1.6 43.2 70 70 A M H >< S+ 0 0 44 -4,-2.1 3,-2.3 1,-0.2 4,-0.3 0.751 93.7 74.5 -69.3 -25.6 7.3 0.2 40.4 71 71 A L H >< S+ 0 0 19 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.775 84.1 70.0 -59.3 -23.6 10.2 0.1 37.9 72 72 A E T << S+ 0 0 153 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.653 92.2 58.8 -68.2 -14.4 9.4 -3.6 37.4 73 73 A S T < S+ 0 0 77 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.556 75.8 121.5 -91.0 -10.4 6.2 -2.6 35.7 74 74 A V < - 0 0 20 -3,-1.3 4,-0.1 -4,-0.3 -27,-0.1 -0.211 51.9-154.0 -54.6 142.8 7.9 -0.6 32.9 75 75 A T S S+ 0 0 53 -29,-0.3 -1,-0.1 29,-0.1 30,-0.1 0.840 73.5 73.5 -88.3 -38.5 7.1 -1.9 29.4 76 76 A A S S- 0 0 6 28,-0.4 29,-0.0 1,-0.2 3,-0.0 -0.302 111.1 -65.2 -71.1 161.4 10.3 -0.7 27.7 77 77 A E - 0 0 134 1,-0.1 2,-0.7 -2,-0.0 -1,-0.2 -0.206 52.4-127.7 -49.6 129.6 13.5 -2.6 28.4 78 78 A L - 0 0 72 -4,-0.1 -1,-0.1 -3,-0.1 -27,-0.0 -0.756 35.2-174.4 -85.5 115.7 14.5 -2.1 32.1 79 79 A K > - 0 0 76 -2,-0.7 3,-1.9 1,-0.1 -3,-0.0 -0.631 40.2-104.5-107.7 167.0 18.1 -0.9 32.2 80 80 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.804 123.6 46.0 -58.7 -29.7 20.5 -0.2 35.0 81 81 A N T 3 S+ 0 0 29 2,-0.0 -29,-2.5 -30,-0.0 2,-0.3 0.098 82.9 133.2-101.8 22.1 19.9 3.5 34.6 82 82 A S E < +D 51 0A 5 -3,-1.9 2,-0.3 -31,-0.2 -31,-0.2 -0.583 28.4 166.3 -77.3 130.3 16.1 3.3 34.4 83 83 A R E -D 50 0A 28 -33,-2.8 -33,-2.6 -2,-0.3 2,-0.7 -0.896 42.0-110.3-138.5 167.1 14.3 5.8 36.5 84 84 A L E > -D 49 0A 0 -2,-0.3 3,-2.8 -35,-0.2 4,-0.4 -0.904 25.3-147.6-101.7 111.0 10.8 7.3 37.0 85 85 A S G > S+ 0 0 0 -37,-2.4 3,-1.1 -2,-0.7 -62,-1.1 0.755 94.8 64.8 -50.6 -29.0 11.0 10.9 35.9 86 86 A C G 3 S+ 0 0 9 1,-0.2 -1,-0.3 -63,-0.2 -64,-0.1 0.627 99.5 55.3 -72.9 -9.0 8.4 12.0 38.4 87 87 A Q G < S+ 0 0 46 -3,-2.8 2,-0.8 -65,-0.1 -1,-0.2 0.512 87.4 87.4 -97.6 -9.5 10.9 11.0 41.1 88 88 A I < - 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