==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-MAR-03 1OQQ . COMPND 2 MOLECULE: PUTIDAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR I.F.SEVRIOUKOVA,C.GARCIA,H.LI,B.BHASKAR,T.L.POULOS . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 65.1 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 . 25 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 11.3 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,-3.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.4 17.9 24.9 34.9 2 2 A K E +A 16 0A 60 14,-0.2 94,-2.5 90,-0.1 95,-0.7 -0.554 360.0 178.1 -84.2 138.7 18.3 22.9 31.7 3 3 A V E -Ab 15 97A 0 12,-2.2 12,-2.8 -2,-0.3 2,-0.5 -0.999 15.2-150.8-134.9 131.8 17.1 19.4 31.1 4 4 A V E -Ab 14 98A 14 93,-2.7 95,-2.6 -2,-0.4 2,-0.6 -0.929 5.2-162.6-111.0 123.0 17.5 17.6 27.8 5 5 A Y E -Ab 13 99A 2 8,-3.3 8,-2.2 -2,-0.5 2,-0.6 -0.914 6.2-161.9-104.8 119.5 15.0 15.0 26.7 6 6 A V E -Ab 12 100A 8 93,-2.6 95,-2.7 -2,-0.6 6,-0.2 -0.898 10.7-143.7-105.8 119.0 16.2 12.7 23.9 7 7 A S > - 0 0 14 4,-3.3 3,-1.4 -2,-0.6 96,-0.1 -0.107 29.7-102.4 -70.4 173.4 13.5 10.8 22.0 8 8 A H T 3 S+ 0 0 125 1,-0.3 95,-0.1 94,-0.2 -1,-0.1 0.847 124.6 53.6 -66.5 -33.5 13.9 7.2 20.8 9 9 A D T 3 S- 0 0 72 127,-0.1 -1,-0.3 2,-0.1 116,-0.2 0.308 125.6-103.0 -84.4 9.9 14.5 8.6 17.3 10 10 A G < + 0 0 40 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.415 69.8 151.6 86.4 -2.3 17.3 10.8 18.6 11 11 A T - 0 0 4 -5,-0.1 -4,-3.3 113,-0.1 2,-0.4 -0.465 33.9-147.8 -65.8 127.4 15.2 14.0 18.6 12 12 A R E -AC 6 123A 100 111,-2.3 111,-2.7 -2,-0.2 2,-0.4 -0.832 17.3-177.3-104.4 136.1 16.5 16.3 21.3 13 13 A R E -A 5 0A 14 -8,-2.2 -8,-3.3 -2,-0.4 2,-0.5 -0.994 10.0-157.2-132.5 124.7 14.3 18.8 23.2 14 14 A E E -A 4 0A 111 -2,-0.4 2,-0.3 107,-0.4 -10,-0.2 -0.896 12.8-176.5-107.7 125.5 15.8 21.2 25.8 15 15 A L E -A 3 0A 18 -12,-2.8 -12,-2.2 -2,-0.5 2,-0.7 -0.855 27.1-130.1-119.1 153.6 13.6 22.6 28.6 16 16 A D E -A 2 0A 115 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.914 32.6-165.6-102.5 111.0 14.2 25.1 31.3 17 17 A V - 0 0 6 -16,-3.6 3,-0.1 -2,-0.7 6,-0.1 -0.859 11.5-131.8-105.5 131.9 12.9 23.5 34.5 18 18 A A > - 0 0 61 -2,-0.4 3,-1.6 1,-0.1 72,-0.2 -0.300 38.3 -81.8 -75.8 160.5 12.3 25.4 37.8 19 19 A D T 3 S+ 0 0 108 1,-0.2 72,-0.2 70,-0.1 -1,-0.1 -0.345 115.0 21.1 -62.4 138.5 13.5 24.3 41.2 20 20 A G T 3 S+ 0 0 54 70,-2.6 2,-0.4 1,-0.3 -1,-0.2 0.392 92.3 121.9 86.1 -5.2 11.2 21.7 42.8 21 21 A V < - 0 0 41 -3,-1.6 69,-2.8 69,-0.2 -1,-0.3 -0.764 59.9-128.1 -92.9 136.4 9.6 20.6 39.5 22 22 A S B > -J 89 0B 5 -2,-0.4 4,-2.2 67,-0.2 67,-0.2 -0.429 19.3-117.0 -79.7 158.4 9.9 16.9 38.6 23 23 A L H > S+ 0 0 0 65,-2.0 4,-1.6 62,-1.2 63,-0.2 0.760 117.3 54.4 -66.4 -22.6 11.2 15.8 35.2 24 24 A M H > S+ 0 0 12 61,-1.0 4,-2.6 64,-0.2 5,-0.3 0.935 107.3 49.0 -74.4 -46.7 7.7 14.2 34.5 25 25 A Q H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.913 112.6 47.8 -58.2 -44.3 5.9 17.5 35.3 26 26 A A H X S+ 0 0 6 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.901 112.8 49.7 -64.7 -40.2 8.3 19.5 33.0 27 27 A A H ><>S+ 0 0 0 -4,-1.6 5,-2.5 1,-0.2 3,-1.3 0.963 114.0 41.6 -63.4 -55.0 7.9 16.9 30.2 28 28 A V H ><5S+ 0 0 59 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.800 111.4 58.3 -64.8 -28.2 4.1 16.7 30.2 29 29 A S H 3<5S+ 0 0 93 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.623 111.3 42.6 -76.0 -13.3 3.9 20.5 30.6 30 30 A N T <<5S- 0 0 69 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.037 121.9 -93.1-123.6 26.7 5.9 21.0 27.4 31 31 A G T < 5S+ 0 0 11 -3,-0.8 2,-1.6 1,-0.2 3,-0.2 0.622 78.1 135.6 77.2 12.8 4.4 18.4 25.0 32 32 A I > < + 0 0 2 -5,-2.5 3,-1.3 1,-0.2 -1,-0.2 -0.587 21.1 162.8 -92.5 72.9 6.7 15.5 25.6 33 33 A Y T 3 + 0 0 103 -2,-1.6 -1,-0.2 1,-0.3 -5,-0.1 0.697 55.5 85.9 -65.5 -23.7 3.8 13.1 25.7 34 34 A D T 3 S+ 0 0 47 -3,-0.2 2,-0.5 -7,-0.1 -1,-0.3 0.660 91.3 61.1 -52.7 -12.1 6.0 10.0 25.2 35 35 A I S < S+ 0 0 0 -3,-1.3 2,-0.5 -11,-0.1 13,-0.2 -0.986 75.3 178.6-116.4 120.2 6.2 10.5 29.0 36 36 A V - 0 0 56 11,-1.9 2,-1.8 -2,-0.5 3,-0.2 -0.974 25.4-147.7-130.7 119.9 2.8 10.2 30.6 37 37 A G > + 0 0 24 -2,-0.5 3,-0.6 1,-0.2 -2,-0.0 -0.592 26.3 170.2 -84.6 80.2 2.2 10.5 34.3 38 38 A D T 3 S+ 0 0 119 -2,-1.8 -1,-0.2 1,-0.2 0, 0.0 0.900 78.9 40.2 -57.1 -45.9 -0.7 8.0 34.6 39 39 A C T 3 S- 0 0 40 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.556 117.5-110.0 -82.7 -7.8 -0.7 8.0 38.4 40 40 A G < - 0 0 60 -3,-0.6 -2,-0.1 1,-0.1 -3,-0.1 0.546 69.6 -55.9 92.7 5.6 -0.0 11.7 38.6 41 41 A G S S+ 0 0 26 -17,-0.0 -1,-0.1 -16,-0.0 -16,-0.1 0.698 101.9 116.7 99.7 23.2 3.5 11.4 39.9 42 42 A S S S- 0 0 51 24,-0.0 45,-0.0 25,-0.0 -2,-0.0 -0.028 87.8-104.2-112.3 30.5 3.3 9.3 43.1 43 43 A A S S+ 0 0 3 1,-0.1 27,-0.1 27,-0.0 26,-0.1 0.878 88.7 119.7 50.7 45.1 5.4 6.3 42.0 44 44 A S S S+ 0 0 73 26,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.295 71.5 29.8-118.9 4.3 2.3 4.2 41.4 45 45 A C - 0 0 15 0, 0.0 29,-0.1 0, 0.0 28,-0.1 -0.793 68.9-133.0-144.8-174.3 2.7 3.5 37.7 46 46 A A S > S+ 0 0 9 -2,-0.2 3,-0.8 27,-0.2 29,-0.3 0.088 71.8 106.7-137.1 24.7 5.7 3.2 35.3 47 47 A T T 3 S+ 0 0 22 1,-0.2 -11,-1.9 -11,-0.1 -1,-0.1 0.462 72.4 62.6 -85.3 -1.5 4.6 5.3 32.4 48 48 A C T 3 S+ 0 0 2 -13,-0.2 37,-1.9 -3,-0.1 -1,-0.2 0.193 76.7 149.1-105.1 14.4 7.0 8.2 33.2 49 49 A H E < +D 84 0A 0 -3,-0.8 2,-0.3 35,-0.2 35,-0.2 -0.164 16.2 165.2 -52.3 133.5 10.0 5.8 32.7 50 50 A V E -D 83 0A 0 33,-2.6 33,-2.9 51,-0.2 2,-0.6 -0.961 37.3-120.0-147.3 160.8 13.2 7.4 31.4 51 51 A Y E -DE 82 100A 17 49,-2.8 49,-2.9 -2,-0.3 2,-0.4 -0.926 27.5-140.2-107.8 113.0 16.9 6.4 31.0 52 52 A V E - E 0 99A 0 29,-2.5 47,-0.2 -2,-0.6 5,-0.2 -0.586 30.2-105.5 -74.6 126.7 19.1 8.8 33.0 53 53 A N >> - 0 0 67 45,-2.7 3,-2.8 -2,-0.4 4,-1.0 -0.239 27.5-120.5 -50.8 133.7 22.3 9.5 31.0 54 54 A E T 34 S+ 0 0 116 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.600 110.6 70.8 -55.7 -9.6 25.2 7.6 32.6 55 55 A A T 34 S+ 0 0 67 1,-0.2 -1,-0.3 43,-0.1 -2,-0.1 0.461 113.0 24.8 -86.8 -1.5 26.8 10.9 33.1 56 56 A F T X> S+ 0 0 34 -3,-2.8 4,-1.8 42,-0.1 3,-1.8 0.342 90.0 102.1-137.9 -3.0 24.3 11.8 35.8 57 57 A T T 3< S+ 0 0 53 -4,-1.0 -3,-0.1 1,-0.3 -2,-0.1 0.774 90.1 43.3 -57.4 -27.5 23.1 8.4 37.0 58 58 A D T 34 S+ 0 0 157 -4,-0.3 -1,-0.3 1,-0.1 4,-0.1 -0.136 110.5 54.9-112.8 37.2 25.3 8.9 40.1 59 59 A K T <4 S+ 0 0 119 -3,-1.8 -2,-0.2 2,-0.1 3,-0.1 0.532 89.0 80.0-125.5 -57.2 24.4 12.5 40.9 60 60 A V S < S- 0 0 9 -4,-1.8 3,-0.1 1,-0.1 28,-0.1 -0.148 99.7 -86.1 -55.2 144.9 20.6 12.3 41.1 61 61 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.263 53.2-101.8 -55.9 136.8 19.2 11.0 44.4 62 62 A A - 0 0 93 1,-0.1 2,-0.1 -3,-0.1 -4,-0.0 -0.204 42.5 -94.6 -60.3 150.5 18.9 7.2 44.5 63 63 A A - 0 0 25 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.407 39.0-133.3 -68.5 140.1 15.5 5.7 43.9 64 64 A N > - 0 0 66 -2,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.246 32.9 -89.3 -84.8 178.9 13.4 4.8 47.0 65 65 A E H > S+ 0 0 173 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 124.8 53.8 -57.0 -45.3 11.6 1.6 47.7 66 66 A R H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 112.9 43.3 -56.8 -47.7 8.4 2.7 46.0 67 67 A E H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.936 111.5 53.6 -64.5 -47.6 10.2 3.6 42.8 68 68 A I H X S+ 0 0 97 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.900 112.8 45.1 -54.3 -42.3 12.3 0.4 42.8 69 69 A G H >< S+ 0 0 45 -4,-2.5 3,-0.6 -5,-0.2 -1,-0.2 0.884 114.1 47.3 -70.5 -38.2 9.2 -1.7 43.1 70 70 A M H >< S+ 0 0 48 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.786 97.0 72.2 -74.7 -27.4 7.3 0.2 40.4 71 71 A L H >< S+ 0 0 17 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.801 84.1 69.1 -57.8 -29.6 10.2 0.1 38.0 72 72 A E T << S+ 0 0 140 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.610 92.7 61.2 -66.0 -9.9 9.6 -3.6 37.5 73 73 A S T < S+ 0 0 79 -3,-2.2 -1,-0.3 -28,-0.1 -27,-0.2 0.457 73.9 122.6 -95.8 -2.3 6.3 -2.6 35.7 74 74 A V < - 0 0 19 -3,-1.9 4,-0.1 -4,-0.2 -27,-0.1 -0.315 53.4-150.6 -61.5 142.4 8.0 -0.7 32.9 75 75 A T S S+ 0 0 59 -29,-0.3 -1,-0.1 30,-0.2 30,-0.1 0.817 76.2 68.9 -84.1 -33.8 7.1 -1.9 29.4 76 76 A A S S- 0 0 6 28,-0.4 29,-0.0 1,-0.2 -27,-0.0 -0.275 111.1 -62.6 -77.8 171.3 10.3 -0.8 27.8 77 77 A E - 0 0 128 1,-0.1 2,-0.9 -2,-0.0 -1,-0.2 -0.313 51.5-130.3 -56.9 131.2 13.6 -2.6 28.5 78 78 A L - 0 0 65 -4,-0.1 -1,-0.1 -3,-0.1 -27,-0.0 -0.772 33.4-175.2 -89.0 107.5 14.6 -2.1 32.2 79 79 A K > - 0 0 84 -2,-0.9 3,-2.0 1,-0.1 0, 0.0 -0.543 40.6-105.3 -99.3 166.2 18.2 -0.8 32.2 80 80 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.812 123.7 47.3 -58.7 -30.2 20.5 -0.1 35.2 81 81 A N T 3 S+ 0 0 18 2,-0.0 -29,-2.5 -30,-0.0 2,-0.3 0.164 83.3 129.5 -98.2 16.9 20.0 3.6 34.6 82 82 A S E < +D 51 0A 5 -3,-2.0 2,-0.3 -31,-0.2 -31,-0.2 -0.554 30.9 166.7 -74.4 133.5 16.2 3.3 34.3 83 83 A R E -D 50 0A 23 -33,-2.9 -33,-2.6 -2,-0.3 2,-0.7 -0.949 42.4-111.1-143.6 161.8 14.3 5.8 36.5 84 84 A L E > -D 49 0A 0 -2,-0.3 3,-2.4 -35,-0.2 4,-0.3 -0.879 26.9-147.2 -96.1 114.9 10.8 7.2 37.0 85 85 A S G > S+ 0 0 0 -37,-1.9 -62,-1.2 -2,-0.7 -61,-1.0 0.711 94.1 66.9 -57.2 -23.1 11.0 10.8 35.9 86 86 A C G 3 S+ 0 0 9 1,-0.2 -1,-0.3 -63,-0.2 -64,-0.1 0.633 98.8 55.3 -73.9 -9.0 8.4 11.9 38.4 87 87 A Q G < S+ 0 0 47 -3,-2.4 2,-0.8 -65,-0.1 -1,-0.2 0.514 87.7 86.6 -97.8 -8.7 10.9 11.0 41.1 88 88 A I < - 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0 0 5 -95,-2.7 -51,-0.2 -2,-0.5 -66,-0.1 -0.731 28.7-114.9 -85.5 127.2 12.6 8.6 26.7 102 102 A P - 0 0 5 0, 0.0 -94,-0.2 0, 0.0 -1,-0.1 -0.151 21.9-111.1 -60.7 155.5 11.9 4.9 26.0 103 103 A D S S+ 0 0 83 1,-0.1 2,-0.3 -95,-0.1 -95,-0.1 0.765 100.1 7.6 -56.2 -27.9 10.5 3.8 22.7 104 104 A R - 0 0 115 1,-0.1 -28,-0.4 -96,-0.0 -1,-0.1 -0.991 45.5-160.1-154.7 156.9 7.3 3.0 24.5 105 105 A Q 0 0 7 -2,-0.3 -30,-0.2 -30,-0.1 -59,-0.1 0.249 360.0 360.0-118.5 4.2 5.6 3.3 27.9 106 106 A W 0 0 214 -32,-0.1 -1,-0.1 -31,-0.1 -32,-0.0 -0.943 360.0 360.0-166.4 360.0 3.2 0.5 27.2 107 !* 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 23 0, 0.0 16,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 144.4 19.7 20.3 13.2 109 2 B K E +F 123 0A 70 14,-0.3 94,-2.6 90,-0.1 95,-0.8 -0.535 360.0 177.2 -89.1 143.8 17.1 22.5 14.8 110 3 B V E -Fg 122 204A 0 12,-2.3 12,-3.0 -2,-0.2 2,-0.6 -0.996 16.7-149.3-137.6 137.8 13.5 23.3 13.8 111 4 B V E -Fg 121 205A 5 93,-2.7 95,-2.9 -2,-0.4 2,-0.7 -0.953 6.4-159.4-113.5 118.7 11.1 25.4 15.7 112 5 B Y E -Fg 120 206A 0 8,-2.9 8,-1.9 -2,-0.6 2,-0.7 -0.884 8.0-162.5 -97.9 117.4 7.4 24.6 15.3 113 6 B V E -Fg 119 207A 11 93,-3.0 95,-3.1 -2,-0.7 6,-0.2 -0.894 11.2-142.3-104.7 115.1 5.2 27.6 16.3 114 7 B S > - 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