==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-MAR-03 1OQR . COMPND 2 MOLECULE: PUTIDAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR I.F.SEVRIOUKOVA,C.GARCIA,H.LI,B.BHASKAR,T.L.POULOS . 318 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.0 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 . 52 16.4 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 2 1 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 26 0, 0.0 16,-3.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.5 56.4 24.0 -97.4 2 2 A K E +A 16 0A 72 14,-0.2 94,-2.6 90,-0.1 95,-0.8 -0.539 360.0 175.8 -84.3 138.0 58.6 26.8 -98.7 3 3 A V E -Ab 15 97A 0 12,-2.1 12,-2.6 -2,-0.3 2,-0.6 -1.000 14.9-153.7-135.9 133.0 58.4 28.3 -102.2 4 4 A V E -Ab 14 98A 14 93,-2.5 95,-2.7 -2,-0.4 2,-0.7 -0.946 3.5-165.0-114.1 120.5 60.5 31.2 -103.4 5 5 A Y E -Ab 13 99A 0 8,-3.2 8,-2.2 -2,-0.6 2,-0.7 -0.914 8.8-159.9-103.6 110.9 59.1 33.4 -106.2 6 6 A V E -Ab 12 100A 10 93,-3.1 95,-3.0 -2,-0.7 6,-0.2 -0.829 13.6-139.1 -94.9 113.6 61.9 35.5 -107.6 7 7 A S > - 0 0 4 4,-2.5 3,-2.6 -2,-0.7 96,-0.1 -0.255 31.0 -98.9 -66.3 159.7 60.5 38.5 -109.5 8 8 A H T 3 S+ 0 0 124 94,-0.3 -1,-0.1 1,-0.3 95,-0.1 0.769 123.4 55.1 -52.2 -28.7 62.2 39.5 -112.7 9 9 A D T 3 S- 0 0 105 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.296 125.7 -95.9 -91.3 12.6 64.2 42.2 -111.0 10 10 A G S < S+ 0 0 13 -3,-2.6 2,-0.3 1,-0.3 -2,-0.1 0.295 71.8 146.7 98.8 -11.1 65.6 39.9 -108.4 11 11 A T - 0 0 69 -5,-0.1 -4,-2.5 1,-0.1 2,-0.7 -0.454 39.1-145.5 -66.2 121.6 63.3 40.2 -105.4 12 12 A R E -A 6 0A 54 -2,-0.3 2,-0.6 -6,-0.2 -6,-0.2 -0.796 16.5-172.8 -91.8 115.5 63.0 36.9 -103.6 13 13 A R E -A 5 0A 42 -8,-2.2 -8,-3.2 -2,-0.7 2,-0.4 -0.933 6.4-159.5-112.8 114.5 59.5 36.4 -102.1 14 14 A E E +A 4 0A 112 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.772 12.0 177.3 -97.9 136.5 59.1 33.4 -99.9 15 15 A L E -A 3 0A 30 -12,-2.6 -12,-2.1 -2,-0.4 2,-0.7 -0.943 30.2-127.6-132.2 152.7 55.7 31.8 -99.2 16 16 A D E -A 2 0A 111 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.917 32.2-166.0-102.2 115.2 54.6 28.8 -97.1 17 17 A V - 0 0 4 -16,-3.6 3,-0.1 -2,-0.7 6,-0.1 -0.895 14.7-128.9-108.0 127.5 52.5 26.7 -99.4 18 18 A A > - 0 0 61 -2,-0.5 3,-1.6 1,-0.1 72,-0.2 -0.329 39.4 -87.2 -69.7 151.8 50.3 23.8 -98.2 19 19 A D T 3 S+ 0 0 101 1,-0.2 72,-0.2 70,-0.1 -1,-0.1 -0.249 113.8 26.0 -55.9 145.2 50.5 20.4 -99.8 20 20 A G T 3 S+ 0 0 59 70,-2.6 2,-0.4 1,-0.3 -1,-0.2 0.456 91.9 117.6 80.8 -1.2 48.2 20.0 -102.8 21 21 A V < - 0 0 35 -3,-1.6 69,-2.6 69,-0.2 -1,-0.3 -0.848 64.3-124.4-100.3 135.0 48.1 23.7 -103.6 22 22 A S B > -E 89 0B 11 -2,-0.4 4,-2.1 67,-0.2 67,-0.2 -0.410 16.7-120.4 -76.5 156.2 49.5 24.8 -107.0 23 23 A L H > S+ 0 0 0 65,-2.1 4,-1.8 62,-1.0 63,-0.2 0.811 113.8 55.4 -65.0 -28.7 52.2 27.4 -107.2 24 24 A M H > S+ 0 0 11 61,-1.1 4,-2.7 64,-0.3 5,-0.3 0.956 107.5 47.6 -67.7 -49.5 49.9 29.6 -109.3 25 25 A Q H > S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.917 113.1 47.3 -58.5 -46.4 47.2 29.6 -106.7 26 26 A A H < S+ 0 0 6 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.903 113.4 51.5 -62.2 -39.2 49.5 30.4 -103.9 27 27 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.3 -5,-0.2 3,-1.5 0.958 110.6 43.4 -62.6 -55.8 51.1 33.1 -106.0 28 28 A V H 3<5S+ 0 0 20 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.643 113.8 52.1 -69.8 -14.0 47.9 35.0 -107.0 29 29 A S T 3<5S+ 0 0 71 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.375 110.8 48.2-102.2 5.5 46.5 34.8 -103.6 30 30 A N T < 5S- 0 0 94 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 -0.064 121.3 -89.9-134.2 33.6 49.6 36.3 -101.9 31 31 A G T 5S+ 0 0 59 -3,-0.3 2,-2.4 221,-0.3 -3,-0.2 0.568 72.9 145.2 74.0 9.4 50.4 39.3 -104.0 32 32 A I > < + 0 0 5 -5,-2.3 3,-1.6 -6,-0.2 -1,-0.2 -0.509 22.1 174.4 -80.3 75.3 52.7 37.7 -106.5 33 33 A Y T 3 + 0 0 63 -2,-2.4 -1,-0.2 1,-0.3 206,-0.1 0.641 63.3 72.9 -57.4 -23.8 51.5 40.1 -109.2 34 34 A D T 3 S+ 0 0 13 -3,-0.1 2,-0.5 -7,-0.1 -1,-0.3 0.461 91.4 66.8 -76.5 2.6 53.9 38.9 -111.9 35 35 A I < + 0 0 0 -3,-1.6 13,-0.2 1,-0.1 12,-0.1 -0.991 60.6 179.4-121.0 126.0 51.8 35.7 -112.2 36 36 A V - 0 0 4 11,-2.5 12,-0.2 -2,-0.5 -1,-0.1 0.893 10.9-165.1 -94.4 -50.1 48.3 36.1 -113.6 37 37 A G > + 0 0 5 10,-1.3 3,-1.4 2,-0.1 11,-0.1 0.881 20.1 170.5 63.3 39.9 46.8 32.6 -113.7 38 38 A D T 3 + 0 0 25 1,-0.3 -1,-0.1 2,-0.1 217,-0.0 0.834 67.9 49.1 -51.7 -46.4 44.0 33.8 -115.9 39 39 A C T 3 S- 0 0 43 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.611 111.9-115.0 -75.4 -9.3 42.4 30.5 -116.8 40 40 A G < - 0 0 57 -3,-1.4 -2,-0.1 1,-0.1 -1,-0.1 0.571 68.2 -53.2 89.5 6.7 42.3 29.4 -113.2 41 41 A G S S+ 0 0 28 -17,-0.0 -1,-0.1 -16,-0.0 -3,-0.0 0.789 99.0 117.1 99.9 31.1 44.8 26.5 -113.6 42 42 A S S S- 0 0 62 24,-0.0 -2,-0.0 25,-0.0 45,-0.0 0.103 87.5-105.8-114.0 21.1 43.6 24.2 -116.4 43 43 A A S S+ 0 0 3 1,-0.1 27,-0.2 24,-0.0 28,-0.0 0.891 87.9 121.4 56.9 43.0 46.7 24.8 -118.6 44 44 A S + 0 0 48 26,-0.0 -1,-0.1 0, 0.0 23,-0.0 0.311 67.3 31.4-117.4 7.2 44.6 26.9 -120.9 45 45 A C S S- 0 0 29 0, 0.0 -7,-0.0 0, 0.0 0, 0.0 0.715 73.9-132.8-139.1 -26.9 46.3 30.3 -120.9 46 46 A A S > S+ 0 0 5 28,-0.1 3,-0.6 1,-0.1 29,-0.3 0.530 72.0 115.0 80.3 5.9 50.2 30.7 -120.6 47 47 A T T 3 + 0 0 2 1,-0.2 -11,-2.5 27,-0.1 -10,-1.3 0.215 65.2 60.7 -95.5 16.8 49.8 33.5 -117.9 48 48 A C T 3 S+ 0 0 3 -12,-0.2 37,-2.4 -13,-0.2 -1,-0.2 -0.043 74.8 153.4-126.2 26.6 51.4 31.5 -115.0 49 49 A H E < +C 84 0A 1 -3,-0.6 2,-0.3 35,-0.2 35,-0.2 -0.331 11.9 161.7 -61.6 131.4 54.7 31.1 -116.8 50 50 A V E -C 83 0A 0 33,-2.4 33,-2.6 51,-0.2 2,-0.6 -0.957 39.8-120.3-146.4 162.4 57.8 30.6 -114.6 51 51 A Y E -CD 82 100A 21 49,-3.0 49,-2.8 -2,-0.3 2,-0.4 -0.940 30.3-143.1-108.7 112.7 61.3 29.3 -114.9 52 52 A V E - D 0 99A 1 29,-2.6 47,-0.2 -2,-0.6 5,-0.1 -0.626 23.7-109.7 -80.2 128.0 61.9 26.5 -112.5 53 53 A N >> - 0 0 58 45,-2.7 3,-2.6 -2,-0.4 4,-0.9 -0.313 27.9-121.9 -56.1 133.0 65.3 26.3 -110.9 54 54 A E T 34 S+ 0 0 113 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.526 107.0 70.7 -57.7 -8.3 67.2 23.3 -112.3 55 55 A A T 34 S+ 0 0 52 1,-0.2 -1,-0.3 43,-0.1 -2,-0.1 0.616 112.2 30.1 -83.2 -11.0 67.7 21.8 -108.9 56 56 A F T X> S+ 0 0 33 -3,-2.6 3,-1.2 42,-0.2 4,-1.1 0.502 89.6 92.8-122.1 -10.9 64.0 21.0 -108.9 57 57 A T T 3< S+ 0 0 42 -4,-0.9 -3,-0.1 1,-0.3 -2,-0.1 0.741 92.3 49.9 -59.1 -20.7 63.0 20.5 -112.5 58 58 A D T 34 S+ 0 0 116 -4,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.666 106.7 53.6 -89.2 -22.0 63.6 16.8 -112.0 59 59 A K T <4 S+ 0 0 94 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.602 96.6 80.8 -88.4 -12.5 61.5 16.6 -108.8 60 60 A V S < S- 0 0 9 -4,-1.1 3,-0.1 1,-0.1 28,-0.1 -0.741 95.2 -95.3 -97.6 136.5 58.5 18.1 -110.4 61 61 A P - 0 0 100 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.267 48.7-104.7 -52.0 136.0 56.1 16.1 -112.6 62 62 A A - 0 0 90 1,-0.1 2,-0.2 -4,-0.1 -4,-0.0 -0.148 44.3 -91.3 -55.3 150.6 56.9 16.5 -116.2 63 63 A A - 0 0 25 -3,-0.1 -1,-0.1 1,-0.1 25,-0.0 -0.491 42.2-130.6 -70.0 134.4 54.6 18.8 -118.2 64 64 A N > - 0 0 81 -2,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.200 33.2 -90.1 -76.6 177.1 51.7 16.9 -119.8 65 65 A E H > S+ 0 0 153 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.838 124.8 53.1 -57.5 -38.1 50.8 17.4 -123.4 66 66 A R H > S+ 0 0 142 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.953 110.2 46.4 -65.2 -48.3 48.4 20.3 -122.8 67 67 A E H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.925 109.7 55.1 -59.1 -45.4 51.0 22.3 -120.9 68 68 A I H X S+ 0 0 74 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.901 110.6 45.9 -54.2 -43.8 53.6 21.5 -123.6 69 69 A G H >< S+ 0 0 45 -4,-1.9 3,-0.7 1,-0.2 4,-0.3 0.923 114.0 47.6 -66.7 -44.2 51.3 22.9 -126.2 70 70 A M H >< S+ 0 0 38 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.859 101.0 64.8 -65.5 -38.0 50.4 26.0 -124.2 71 71 A L H >< S+ 0 0 12 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.804 87.5 71.7 -56.7 -28.7 54.0 26.8 -123.3 72 72 A E T << S+ 0 0 140 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.750 97.3 51.6 -60.1 -21.2 54.6 27.4 -127.0 73 73 A S T < S+ 0 0 65 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.316 74.5 134.4-100.6 9.1 52.6 30.6 -126.7 74 74 A V < - 0 0 18 -3,-1.9 4,-0.2 1,-0.1 -27,-0.1 -0.297 49.0-146.1 -57.9 143.1 54.4 32.2 -123.7 75 75 A T S S+ 0 0 57 30,-0.4 -1,-0.1 -29,-0.3 30,-0.1 0.755 79.6 62.2 -84.3 -27.6 55.0 35.9 -124.3 76 76 A A S S- 0 0 12 28,-0.3 2,-0.0 1,-0.2 29,-0.0 -0.370 114.9 -58.0 -87.5 176.3 58.3 36.1 -122.4 77 77 A E - 0 0 134 -2,-0.1 2,-0.6 1,-0.1 -1,-0.2 -0.325 53.8-132.8 -58.7 130.3 61.4 34.0 -123.5 78 78 A L - 0 0 66 -4,-0.2 -1,-0.1 -3,-0.1 -27,-0.0 -0.774 31.7-177.1 -87.3 122.1 60.6 30.3 -123.6 79 79 A K > - 0 0 82 -2,-0.6 3,-1.9 1,-0.1 0, 0.0 -0.714 41.8-104.7-116.0 167.0 63.4 28.4 -121.8 80 80 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.817 123.7 47.5 -60.2 -29.1 64.0 24.7 -121.2 81 81 A N T 3 S+ 0 0 29 2,-0.0 -29,-2.6 -30,-0.0 2,-0.2 0.220 83.4 128.9 -96.9 14.8 63.0 25.1 -117.6 82 82 A S E < +C 51 0A 5 -3,-1.9 2,-0.3 -31,-0.2 -31,-0.2 -0.501 31.0 166.9 -70.4 136.2 59.8 27.1 -118.5 83 83 A R E -C 50 0A 25 -33,-2.6 -33,-2.4 -2,-0.2 2,-0.9 -0.983 44.1-118.4-147.6 154.4 56.7 25.7 -116.8 84 84 A L E > -C 49 0A 1 -2,-0.3 3,-2.5 -35,-0.2 -35,-0.2 -0.875 30.2-150.6 -92.6 108.3 53.1 26.8 -116.2 85 85 A C G > S+ 0 0 0 -37,-2.4 3,-1.1 -2,-0.9 -61,-1.1 0.556 89.0 74.1 -63.1 -6.6 53.2 26.9 -112.4 86 86 A C G 3 S+ 0 0 10 1,-0.2 -1,-0.3 -63,-0.2 -64,-0.1 0.673 95.1 56.9 -76.0 -12.4 49.5 26.1 -112.1 87 87 A Q G < S+ 0 0 45 -3,-2.5 2,-0.6 -65,-0.1 -1,-0.2 0.342 90.1 84.9 -95.8 2.6 50.7 22.6 -113.2 88 88 A I < - 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0 0 3 -95,-3.0 -51,-0.2 -2,-0.5 -93,-0.1 -0.803 14.9-124.7 -98.0 130.9 59.1 34.9 -112.9 102 102 A P - 0 0 1 0, 0.0 -94,-0.3 0, 0.0 -1,-0.1 -0.102 25.6-107.9 -65.3 168.1 59.4 36.5 -116.3 103 103 A D S S+ 0 0 89 -95,-0.1 2,-0.3 -96,-0.1 129,-0.1 0.460 98.6 25.9 -78.7 0.1 58.8 40.3 -116.9 104 104 A R + 0 0 70 1,-0.1 -28,-0.3 -70,-0.1 131,-0.1 -0.983 41.1 179.0-161.8 150.4 55.5 39.6 -118.7 105 105 A Q 0 0 3 129,-0.6 -30,-0.4 -2,-0.3 130,-0.1 0.574 360.0 360.0-120.3 -32.3 52.6 37.0 -118.9 106 106 A W 0 0 80 128,-1.0 128,-0.2 -59,-0.1 129,-0.1 0.352 360.0 360.0 -98.3 360.0 50.4 38.8 -121.4 107 !* 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,-3.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 146.6 92.7 43.2 -89.0 109 2 B K E +F 123 0C 66 14,-0.2 94,-2.4 90,-0.1 95,-0.7 -0.417 360.0 177.3 -71.4 133.3 93.6 45.3 -91.9 110 3 B V E -Fg 122 204C 0 12,-2.4 12,-2.6 93,-0.2 2,-0.5 -0.999 11.9-157.5-134.7 128.2 91.0 46.0 -94.6 111 4 B V E -Fg 121 205C 1 93,-2.8 95,-2.6 -2,-0.4 2,-0.5 -0.932 2.8-164.4-113.1 129.7 91.8 48.3 -97.6 112 5 B Y E -Fg 120 206C 3 8,-3.0 8,-2.2 -2,-0.5 2,-0.5 -0.958 3.9-167.7-112.9 121.7 89.0 50.0 -99.6 113 6 B V E -Fg 119 207C 15 93,-2.6 95,-3.4 -2,-0.5 6,-0.2 -0.945 14.9-145.0-110.5 122.1 90.1 51.4 -103.0 114 7 B S E > - 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