==== 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 1XLQ . COMPND 2 MOLECULE: PUTIDAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR I.F.SEVRIOUKOVA . 318 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 14.2 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 . 3 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 . 31 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 5 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 3 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 3 3 0 3 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 3 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 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,-3.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 146.8 53.4 -77.3 -29.8 2 2 A K E +A 16 0A 85 14,-0.2 94,-2.1 90,-0.1 95,-0.7 -0.416 360.0 172.6 -72.2 132.2 56.2 -78.7 -32.0 3 3 A V E -Ab 15 97A 0 12,-2.2 12,-2.9 -2,-0.2 2,-0.5 -0.999 12.9-160.9-135.9 132.1 55.6 -81.5 -34.5 4 4 A V E -Ab 14 98A 4 93,-2.5 95,-2.7 -2,-0.4 2,-0.6 -0.974 0.4-164.2-119.5 125.3 58.1 -82.7 -37.1 5 5 A Y E -Ab 13 99A 0 8,-2.7 8,-2.3 -2,-0.5 2,-0.6 -0.943 9.4-156.6-107.2 118.6 57.0 -84.7 -40.1 6 6 A V E -Ab 12 100A 15 93,-3.0 95,-3.1 -2,-0.6 6,-0.2 -0.857 11.9-139.6 -99.4 120.5 59.9 -86.5 -41.8 7 7 A S > - 0 0 16 4,-2.9 3,-2.4 -2,-0.6 96,-0.1 -0.247 31.6 -99.0 -71.1 166.1 59.4 -87.3 -45.5 8 8 A H T 3 S+ 0 0 133 94,-0.3 95,-0.1 1,-0.3 -1,-0.1 0.806 126.0 53.1 -56.2 -29.5 60.5 -90.6 -46.9 9 9 A D T 3 S- 0 0 126 2,-0.1 -1,-0.3 94,-0.0 -2,-0.1 0.376 125.1-100.8 -88.9 5.4 63.6 -88.8 -48.3 10 10 A G S < S+ 0 0 44 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.391 70.2 148.8 95.1 -3.0 64.5 -87.4 -44.9 11 11 A T - 0 0 71 -5,-0.1 -4,-2.9 1,-0.1 2,-0.5 -0.478 39.8-139.7 -69.0 130.0 63.2 -83.9 -45.3 12 12 A R E -A 6 0A 151 -2,-0.2 2,-0.6 -6,-0.2 -6,-0.2 -0.798 16.2-170.8 -96.0 128.5 62.0 -82.4 -42.0 13 13 A R E -A 5 0A 54 -8,-2.3 -8,-2.7 -2,-0.5 2,-0.4 -0.953 11.9-163.6-118.5 107.3 58.9 -80.3 -42.0 14 14 A E E +A 4 0A 127 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.800 10.1 178.1 -98.6 132.2 58.4 -78.6 -38.7 15 15 A L E -A 3 0A 27 -12,-2.9 -12,-2.2 -2,-0.4 2,-0.7 -0.911 31.5-132.7-129.4 155.2 55.1 -77.1 -37.6 16 16 A D E -A 2 0A 137 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.948 35.5-165.0-105.5 108.3 53.7 -75.4 -34.5 17 17 A V - 0 0 5 -16,-3.4 3,-0.1 -2,-0.7 6,-0.0 -0.874 10.6-132.3-106.3 127.4 50.4 -77.2 -33.9 18 18 A A > - 0 0 61 -2,-0.5 3,-1.6 1,-0.1 72,-0.2 -0.266 36.9 -83.5 -73.0 157.5 47.7 -75.9 -31.6 19 19 A D T 3 S+ 0 0 75 1,-0.2 72,-0.2 70,-0.1 -1,-0.1 -0.309 114.1 24.0 -59.9 139.6 45.9 -78.0 -29.0 20 20 A G T 3 S+ 0 0 2 70,-2.2 300,-1.2 1,-0.3 299,-0.7 0.401 91.0 118.4 87.6 -4.6 43.0 -80.0 -30.4 21 21 A V < - 0 0 19 -3,-1.6 69,-2.5 69,-0.2 -1,-0.3 -0.819 62.2-128.3 -96.8 132.9 44.3 -80.1 -34.0 22 22 A S B > -E 89 0B 2 -2,-0.4 4,-2.4 67,-0.2 67,-0.2 -0.413 18.5-118.3 -76.5 158.1 45.0 -83.6 -35.4 23 23 A L H > S+ 0 0 0 65,-2.2 4,-1.7 62,-1.0 63,-0.2 0.781 116.4 55.0 -67.1 -23.7 48.3 -84.3 -37.0 24 24 A M H > S+ 0 0 3 61,-1.0 4,-2.8 64,-0.2 5,-0.3 0.935 108.0 48.0 -72.3 -45.2 46.5 -85.0 -40.3 25 25 A Q H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.925 112.5 48.1 -59.8 -46.4 44.8 -81.6 -40.2 26 26 A A H X S+ 0 0 3 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.903 113.6 49.0 -62.3 -39.8 48.1 -79.8 -39.5 27 27 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.6 -5,-0.2 3,-1.0 0.972 114.8 40.6 -65.3 -55.0 49.8 -81.7 -42.3 28 28 A V H ><5S+ 0 0 13 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.834 112.5 55.2 -67.3 -30.2 47.3 -81.2 -45.0 29 29 A S H 3<5S+ 0 0 48 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.644 111.7 46.6 -76.6 -11.4 46.6 -77.5 -44.1 30 30 A N T <<5S- 0 0 93 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.095 121.2-100.8-116.5 21.9 50.4 -76.9 -44.4 31 31 A G T < 5S+ 0 0 37 -3,-1.1 2,-2.1 1,-0.2 -3,-0.2 0.594 73.6 140.9 74.1 13.1 51.0 -78.6 -47.7 32 32 A I > < + 0 0 6 -5,-2.6 3,-1.3 -6,-0.2 -1,-0.2 -0.497 20.8 165.5 -86.5 70.0 52.5 -81.8 -46.3 33 33 A Y T 3 + 0 0 167 -2,-2.1 -1,-0.2 1,-0.3 -5,-0.1 0.372 53.6 87.6 -73.1 3.3 50.7 -83.7 -49.0 34 34 A D T 3 S+ 0 0 50 -3,-0.1 2,-0.5 -7,-0.1 -1,-0.3 0.490 88.7 64.8 -77.1 0.3 52.7 -86.9 -48.6 35 35 A I S < S- 0 0 1 -3,-1.3 13,-0.2 1,-0.1 12,-0.1 -0.994 73.3-176.5-116.7 122.7 49.9 -87.4 -46.0 36 36 A V - 0 0 41 11,-2.4 12,-0.2 -2,-0.5 -1,-0.1 0.924 11.0-163.8 -89.8 -54.1 46.5 -87.6 -47.9 37 37 A G > + 0 0 10 10,-1.0 3,-1.5 2,-0.1 208,-0.1 0.855 19.7 169.7 69.0 37.8 43.7 -87.8 -45.4 38 38 A D T 3 + 0 0 90 1,-0.3 207,-0.3 2,-0.1 -1,-0.0 0.815 69.5 49.6 -51.4 -43.0 41.2 -89.0 -48.0 39 39 A C T 3 S- 0 0 23 205,-0.1 -1,-0.3 1,-0.1 205,-0.1 0.613 114.7-111.0 -77.6 -10.2 38.3 -89.9 -45.6 40 40 A G < - 0 0 6 -3,-1.5 -2,-0.1 1,-0.1 203,-0.1 0.554 68.1 -55.2 95.1 6.1 38.5 -86.6 -43.8 41 41 A G S S+ 0 0 2 201,-0.1 -1,-0.1 210,-0.1 211,-0.1 0.687 101.9 113.8 101.1 21.7 39.8 -87.8 -40.5 42 42 A S S S- 0 0 18 200,-0.1 45,-0.0 209,-0.1 208,-0.0 -0.027 87.8-104.5-114.3 30.5 37.4 -90.5 -39.3 43 43 A A S S+ 0 0 2 1,-0.1 27,-0.2 26,-0.0 26,-0.1 0.904 88.8 115.1 50.2 52.4 39.7 -93.5 -39.5 44 44 A S S S+ 0 0 70 26,-0.1 -1,-0.1 25,-0.1 23,-0.0 0.241 72.1 34.1-132.8 13.2 38.1 -94.9 -42.6 45 45 A C S S- 0 0 29 61,-0.0 -7,-0.0 0, 0.0 0, 0.0 0.598 76.9-138.2-139.8 -27.9 40.8 -94.7 -45.4 46 46 A A > + 0 0 3 1,-0.1 3,-0.6 28,-0.1 29,-0.3 0.611 66.2 120.5 72.7 14.5 44.3 -95.4 -44.1 47 47 A T T 3 + 0 0 8 1,-0.2 -11,-2.4 27,-0.1 -10,-1.0 0.178 63.0 63.6 -96.4 18.4 45.9 -92.6 -46.2 48 48 A C T 3 S+ 0 0 2 -12,-0.2 37,-2.4 -13,-0.2 -1,-0.2 -0.033 74.4 153.7-124.0 24.7 47.2 -90.6 -43.2 49 49 A H E < +C 84 0A 1 -3,-0.6 2,-0.3 35,-0.2 35,-0.2 -0.299 12.0 163.2 -59.3 131.1 49.6 -93.4 -42.2 50 50 A V E -C 83 0A 0 33,-2.6 33,-2.6 51,-0.2 2,-0.6 -0.953 39.4-122.2-144.2 161.8 52.7 -92.4 -40.3 51 51 A Y E -CD 82 100A 20 49,-2.7 49,-2.9 -2,-0.3 2,-0.3 -0.950 30.7-140.4-108.0 112.9 55.3 -94.1 -38.2 52 52 A V E - D 0 99A 1 29,-2.8 47,-0.2 -2,-0.6 5,-0.2 -0.574 30.5 -99.4 -74.9 131.9 55.4 -92.4 -34.8 53 53 A N >> - 0 0 44 45,-2.7 3,-2.4 -2,-0.3 4,-1.0 -0.223 30.7-120.2 -52.5 138.8 58.9 -92.0 -33.4 54 54 A E T 34 S+ 0 0 64 1,-0.3 4,-0.4 2,-0.2 121,-0.2 0.700 110.6 59.9 -55.2 -25.5 59.7 -94.7 -30.9 55 55 A A T 34 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.528 112.1 39.5 -82.7 -4.3 60.3 -92.2 -28.1 56 56 A F T X> S+ 0 0 35 -3,-2.4 3,-1.9 42,-0.1 4,-0.8 0.533 84.3 93.1-119.5 -10.5 56.7 -90.9 -28.4 57 57 A T G >< S+ 0 0 10 -4,-1.0 3,-0.9 1,-0.3 112,-0.2 0.879 88.8 49.7 -54.6 -40.7 54.6 -93.9 -29.0 58 58 A D G 34 S+ 0 0 83 -4,-0.4 -1,-0.3 1,-0.2 111,-0.2 0.529 104.6 60.0 -78.6 -1.7 53.8 -94.4 -25.3 59 59 A K G <4 S+ 0 0 114 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.582 93.5 77.7 -95.4 -14.5 52.8 -90.7 -25.0 60 60 A V S << S- 0 0 5 -3,-0.9 109,-0.3 -4,-0.8 3,-0.1 -0.802 94.4-105.6 -99.3 135.1 50.1 -91.0 -27.6 61 61 A P - 0 0 104 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.333 49.2-102.7 -57.0 136.7 46.7 -92.6 -26.7 62 62 A A - 0 0 21 105,-0.3 103,-0.1 103,-0.2 -4,-0.0 -0.130 45.0 -80.6 -61.6 158.5 46.6 -96.1 -28.3 63 63 A A - 0 0 8 124,-0.1 -1,-0.1 101,-0.1 2,-0.1 -0.275 44.5-133.4 -60.8 139.7 44.6 -96.8 -31.4 64 64 A N > - 0 0 38 100,-0.1 4,-2.5 101,-0.1 5,-0.2 -0.284 35.4 -87.9 -85.5 178.5 40.9 -97.4 -31.0 65 65 A E H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.881 127.5 50.4 -54.7 -43.6 38.9 -100.3 -32.6 66 66 A R H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 111.6 47.0 -63.8 -44.5 38.3 -98.3 -35.8 67 67 A E H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.897 109.2 53.9 -66.0 -40.8 41.9 -97.4 -36.2 68 68 A I H X S+ 0 0 4 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.921 110.9 48.2 -58.2 -43.4 43.2 -100.9 -35.6 69 69 A G H >< S+ 0 0 38 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.929 112.5 46.3 -63.2 -47.3 40.8 -102.1 -38.3 70 70 A M H >< S+ 0 0 35 -4,-2.3 3,-2.4 1,-0.2 -1,-0.2 0.819 100.1 67.5 -66.1 -32.9 41.9 -99.5 -40.8 71 71 A L H >< S+ 0 0 5 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.720 86.0 71.5 -61.0 -19.4 45.6 -100.0 -40.2 72 72 A E T << S+ 0 0 97 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.595 98.7 50.7 -71.3 -9.2 45.1 -103.5 -41.7 73 73 A S T < S+ 0 0 79 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.259 74.2 132.5-112.8 11.3 44.8 -101.6 -45.0 74 74 A V < - 0 0 22 -3,-1.3 4,-0.1 1,-0.1 -27,-0.1 -0.351 47.0-149.8 -62.2 145.7 47.8 -99.4 -45.0 75 75 A T S S+ 0 0 59 30,-0.4 -1,-0.1 -29,-0.3 30,-0.1 0.809 77.8 64.2 -88.2 -34.0 49.7 -99.6 -48.3 76 76 A A S S- 0 0 11 28,-0.4 29,-0.0 1,-0.2 -27,-0.0 -0.416 112.7 -64.3 -82.0 168.0 53.2 -98.9 -47.0 77 77 A E - 0 0 137 -2,-0.1 2,-0.4 1,-0.1 -1,-0.2 -0.257 50.7-125.1 -57.0 131.1 54.7 -101.5 -44.7 78 78 A L - 0 0 39 -4,-0.1 -1,-0.1 -3,-0.1 107,-0.1 -0.665 34.9-177.7 -78.3 127.8 52.9 -101.8 -41.3 79 79 A K > - 0 0 78 -2,-0.4 3,-2.2 1,-0.0 100,-0.0 -0.824 42.6-103.4-121.6 163.7 55.4 -101.3 -38.5 80 80 A P T 3 S+ 0 0 32 0, 0.0 90,-0.2 0, 0.0 96,-0.1 0.807 123.6 48.5 -57.3 -28.5 54.9 -101.5 -34.7 81 81 A N T 3 S+ 0 0 9 94,-0.1 -29,-2.8 2,-0.0 2,-0.2 0.195 82.4 131.0 -97.7 16.8 54.8 -97.7 -34.5 82 82 A S E < +C 51 0A 6 -3,-2.2 2,-0.3 -31,-0.2 -31,-0.2 -0.478 28.2 164.8 -70.4 135.6 52.3 -97.3 -37.4 83 83 A R E -C 50 0A 23 -33,-2.6 -33,-2.6 -2,-0.2 2,-0.8 -0.972 44.0-118.6-147.2 157.6 49.4 -94.9 -36.7 84 84 A L E > -C 49 0A 0 -2,-0.3 3,-2.3 -35,-0.2 -35,-0.2 -0.905 29.8-149.3 -95.9 111.0 46.8 -93.1 -38.7 85 85 A C G > S+ 0 0 0 -37,-2.4 3,-1.0 -2,-0.8 -62,-1.0 0.590 89.2 74.4 -65.5 -8.5 47.7 -89.5 -37.8 86 86 A C G 3 S+ 0 0 3 1,-0.2 -1,-0.3 -63,-0.2 -61,-0.1 0.665 96.3 56.1 -73.0 -11.6 44.1 -88.2 -38.0 87 87 A Q G < S+ 0 0 32 -3,-2.3 2,-0.8 -65,-0.1 -1,-0.2 0.486 87.7 87.3 -94.2 -6.8 43.8 -90.1 -34.7 88 88 A I < - 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