==== 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 TRANSFER 15-FEB-99 1PDX . COMPND 2 MOLECULE: PROTEIN (PUTIDAREDOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR T.C.POCHAPSKY,N.U.JAIN,M.KUTI,T.A.LYONS,J.HEYMONT . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 11.3 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 . 1 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 . 12 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 1 1 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 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 0 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 27 0, 0.0 16,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 155.4 7.5 -11.9 1.7 2 2 A K - 0 0 118 14,-0.2 94,-2.4 89,-0.2 95,-1.6 -0.594 360.0-171.5 -87.6 147.8 7.9 -10.4 -1.8 3 3 A V E +Ab 15 97A 0 12,-1.3 12,-1.8 -2,-0.2 2,-0.3 -0.995 13.7 176.6-141.0 135.6 6.5 -6.9 -2.5 4 4 A V E - b 0 98A 21 93,-1.9 95,-1.8 -2,-0.4 10,-0.2 -0.687 13.0-161.0-142.4 91.0 6.2 -5.0 -5.7 5 5 A Y E - b 0 99A 4 -2,-0.3 8,-2.0 93,-0.2 95,-0.2 -0.457 16.5-146.2 -67.9 134.8 4.5 -1.5 -5.5 6 6 A V E -Cb 12 100A 13 93,-2.7 95,-0.5 6,-0.3 6,-0.3 -0.587 4.8-136.8 -99.8 166.9 3.3 -0.4 -9.0 7 7 A S - 0 0 13 4,-0.8 94,-0.6 -2,-0.2 -1,-0.1 -0.137 35.8 -91.4-101.8-155.9 3.2 3.2 -10.2 8 8 A H S S+ 0 0 88 94,-0.2 95,-0.1 1,-0.1 4,-0.1 0.805 130.0 40.6 -90.2 -29.8 0.5 4.9 -12.2 9 9 A D S S- 0 0 122 2,-0.1 -1,-0.1 93,-0.1 3,-0.1 0.529 128.8 -96.0 -91.8 -6.3 2.0 3.9 -15.5 10 10 A G S S+ 0 0 27 1,-0.4 -2,-0.0 91,-0.2 0, 0.0 0.051 78.9 139.3 114.4 -25.6 2.8 0.4 -14.2 11 11 A T - 0 0 78 -5,-0.2 -4,-0.8 1,-0.1 -1,-0.4 -0.269 35.3-174.0 -52.6 130.2 6.5 1.0 -13.2 12 12 A R B -C 6 0A 138 -6,-0.3 -6,-0.3 -3,-0.1 2,-0.2 -0.619 22.3-137.8-121.3-176.4 6.9 -0.8 -9.9 13 13 A R - 0 0 98 -8,-2.0 2,-0.3 -2,-0.2 14,-0.0 -0.729 15.7-139.8-128.8 178.7 9.3 -1.4 -7.1 14 14 A E + 0 0 131 -2,-0.2 -10,-0.3 -10,-0.2 2,-0.1 -0.822 25.5 160.0-152.9 114.2 10.2 -4.6 -5.3 15 15 A L B -A 3 0A 11 -12,-1.8 -12,-1.3 -2,-0.3 2,-0.1 -0.221 38.5-123.3-108.7-156.2 10.9 -5.1 -1.6 16 16 A D + 0 0 122 -14,-0.2 2,-0.5 -2,-0.1 -14,-0.2 -0.552 34.3 176.4-152.5 71.9 10.9 -8.1 0.7 17 17 A V - 0 0 1 -16,-0.3 3,-0.1 74,-0.1 6,-0.1 -0.722 14.4-154.2 -89.1 127.6 8.4 -7.3 3.5 18 18 A A > - 0 0 37 -2,-0.5 3,-2.0 1,-0.2 72,-0.6 -0.240 39.5 -57.0 -89.9-175.1 7.9 -10.1 6.0 19 19 A D T 3 S+ 0 0 112 1,-0.3 72,-0.2 70,-0.1 -1,-0.2 -0.443 128.5 22.9 -63.2 115.9 5.0 -11.1 8.3 20 20 A G T 3 S+ 0 0 56 -2,-0.4 2,-0.3 1,-0.4 -1,-0.3 0.111 96.2 108.7 112.0 -22.4 4.5 -8.0 10.5 21 21 A V < - 0 0 30 -3,-2.0 69,-2.3 69,-0.5 2,-0.5 -0.656 63.5-134.4 -88.3 147.9 6.0 -5.4 8.2 22 22 A S B >> -F 89 0B 19 -2,-0.3 3,-1.5 67,-0.2 4,-1.1 -0.811 19.4-124.3 -96.6 131.8 3.7 -2.9 6.5 23 23 A L H 3> S+ 0 0 0 65,-2.4 4,-2.2 -2,-0.5 5,-0.3 0.830 116.6 60.7 -44.5 -26.1 4.5 -2.3 2.9 24 24 A M H 3> S+ 0 0 29 61,-1.2 4,-2.8 64,-0.2 -1,-0.3 0.956 104.3 47.3 -69.0 -42.4 4.8 1.3 4.0 25 25 A Q H <> S+ 0 0 100 -3,-1.5 4,-0.6 60,-0.3 5,-0.2 0.995 119.2 36.8 -59.7 -70.8 7.6 0.3 6.4 26 26 A A H >X S+ 0 0 8 -4,-1.1 3,-2.9 1,-0.2 4,-2.0 0.946 117.5 53.5 -47.0 -54.3 9.6 -1.7 3.9 27 27 A A H >X>S+ 0 0 0 -4,-2.2 5,-4.0 -5,-0.3 4,-0.9 0.939 108.8 48.1 -47.4 -51.1 8.7 0.7 1.0 28 28 A V H 3<5S+ 0 0 78 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.547 112.8 53.3 -69.0 -1.1 9.9 3.7 3.1 29 29 A S H <<5S+ 0 0 87 -3,-2.9 -2,-0.2 -4,-0.6 -1,-0.2 0.703 110.2 42.2-103.1 -27.5 13.0 1.4 3.7 30 30 A N H <<5S- 0 0 83 -4,-2.0 -2,-0.2 -3,-0.6 -3,-0.2 0.443 125.5 -98.7 -97.3 -0.8 13.8 0.8 0.1 31 31 A G T ><5S+ 0 0 41 -4,-0.9 3,-0.7 -5,-0.4 -3,-0.2 0.700 87.1 128.0 92.1 21.2 13.1 4.4 -0.8 32 32 A I T 3 - 0 0 19 -2,-0.5 3,-2.0 6,-0.0 -1,-0.1 0.090 55.5-108.3-100.0 25.0 1.5 9.8 10.5 40 40 A G T 3 S- 0 0 68 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 0.947 74.0 -58.5 51.1 50.1 3.2 7.4 12.9 41 41 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.767 116.3 120.7 53.4 19.8 0.5 4.7 12.2 42 42 A S S < S- 0 0 78 -3,-2.0 -1,-0.2 0, 0.0 -2,-0.1 0.454 76.9-127.9 -92.6 0.6 -1.9 7.4 13.4 43 43 A A S S+ 0 0 33 1,-0.1 27,-0.1 41,-0.0 -3,-0.1 0.977 72.2 120.9 53.1 60.1 -3.8 7.4 10.1 44 44 A S + 0 0 88 -7,-0.0 2,-0.2 26,-0.0 -1,-0.1 0.093 52.6 71.0-139.6 24.8 -3.5 11.2 9.7 45 45 A C - 0 0 24 -8,-0.1 28,-0.1 1,-0.0 -8,-0.1 -0.681 53.5-156.6-129.9-174.3 -1.7 11.7 6.4 46 46 A A S > S+ 0 0 4 60,-0.3 3,-0.6 -2,-0.2 -9,-0.1 0.280 71.6 89.4-150.1 9.9 -2.5 11.2 2.6 47 47 A T T 3 S+ 0 0 29 1,-0.2 -12,-0.1 27,-0.1 -10,-0.1 0.716 80.0 66.6 -84.9 -18.8 0.9 10.7 0.9 48 48 A C T 3 S+ 0 0 1 -11,-0.1 37,-0.5 58,-0.1 2,-0.3 0.058 71.1 143.9 -88.5 28.4 0.8 6.9 1.4 49 49 A H < + 0 0 1 -3,-0.6 2,-0.3 56,-0.2 35,-0.2 -0.518 21.7 133.9 -70.2 126.4 -2.2 6.6 -1.0 50 50 A V E -D 83 0A 1 33,-1.3 33,-2.3 -2,-0.3 2,-0.4 -0.901 49.8-117.6-156.4-173.9 -2.0 3.4 -3.0 51 51 A Y E -DE 82 100A 2 49,-2.6 49,-3.2 -2,-0.3 2,-0.4 -0.912 19.5-146.2-141.1 111.8 -3.9 0.4 -4.2 52 52 A V E - E 0 99A 0 29,-0.9 47,-0.3 -2,-0.4 5,-0.2 -0.601 35.4-102.6 -78.4 131.5 -3.0 -3.2 -3.2 53 53 A N >> - 0 0 40 45,-4.1 3,-2.3 -2,-0.4 4,-0.7 -0.131 36.7-108.8 -47.4 146.7 -3.6 -5.7 -6.0 54 54 A E H 3> S+ 0 0 153 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.627 117.6 65.9 -58.7 -8.1 -6.8 -7.6 -5.2 55 55 A A H 34 S+ 0 0 35 43,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.373 110.3 33.1 -96.0 8.2 -4.6 -10.7 -4.4 56 56 A F H <> S+ 0 0 23 -3,-2.3 4,-0.6 42,-0.1 -2,-0.2 0.305 105.4 68.7-140.2 3.8 -3.0 -9.0 -1.4 57 57 A T H < S+ 0 0 20 -4,-0.7 -3,-0.1 -5,-0.2 -2,-0.1 0.863 109.9 33.4 -90.5 -42.6 -5.8 -6.8 -0.0 58 58 A D T < S+ 0 0 121 -4,-0.6 4,-0.1 1,-0.1 -1,-0.1 0.463 122.9 49.8 -91.0 -1.3 -8.0 -9.6 1.2 59 59 A K T 4 S+ 0 0 107 2,-0.1 -2,-0.1 35,-0.0 -1,-0.1 0.814 108.9 52.8 -99.4 -46.8 -5.0 -11.8 2.1 60 60 A V S < S- 0 0 7 -4,-0.6 2,-0.8 1,-0.2 30,-0.1 -0.105 121.8 -53.4 -78.1-179.8 -3.1 -9.2 4.1 61 61 A P - 0 0 53 0, 0.0 2,-2.5 0, 0.0 -1,-0.2 -0.472 50.1-150.0 -68.4 107.5 -4.8 -7.3 7.0 62 62 A A - 0 0 70 -2,-0.8 -4,-0.1 -4,-0.1 26,-0.1 -0.445 23.2-153.8 -75.5 71.5 -8.0 -5.9 5.5 63 63 A A - 0 0 26 -2,-2.5 2,-0.1 24,-0.1 -1,-0.0 0.230 9.9-123.1 -38.7 170.9 -8.0 -2.9 7.9 64 64 A N >> - 0 0 86 3,-0.0 4,-1.7 4,-0.0 3,-1.0 -0.319 54.4 -40.5-111.9-164.2 -11.4 -1.3 8.7 65 65 A E H 3> S+ 0 0 159 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.755 128.1 65.7 -28.7 -39.9 -13.0 2.2 8.5 66 66 A R H >> S+ 0 0 176 1,-0.2 3,-2.0 2,-0.2 4,-1.2 0.986 107.8 36.8 -52.9 -63.0 -9.7 3.8 9.6 67 67 A E H <> S+ 0 0 23 -3,-1.0 4,-1.2 1,-0.3 5,-0.3 0.842 115.0 57.1 -59.1 -30.1 -7.9 2.7 6.5 68 68 A I H 3X S+ 0 0 87 -4,-1.7 4,-0.7 3,-0.2 -1,-0.3 0.633 107.2 52.8 -77.1 -8.9 -11.0 3.4 4.5 69 69 A G H - 0 0 90 1,-0.1 3,-0.6 0, 0.0 -1,-0.1 -0.823 42.1-101.7-135.4 177.5 -10.8 1.1 -5.3 80 80 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.801 129.4 36.8 -74.8 -28.7 -12.6 -1.6 -3.3 81 81 A N T 3 S+ 0 0 24 -29,-0.1 -29,-0.9 2,-0.1 -3,-0.0 0.189 86.2 151.6-106.0 15.2 -9.1 -2.7 -2.1 82 82 A S E < +D 51 0A 9 -3,-0.6 2,-0.3 -31,-0.2 -31,-0.2 -0.051 23.1 173.6 -44.2 148.8 -7.7 0.9 -1.9 83 83 A R E -D 50 0A 11 -33,-2.3 -33,-1.3 -12,-0.1 2,-0.7 -0.987 43.4-136.9-162.0 155.9 -5.0 1.0 0.8 84 84 A L > - 0 0 1 -2,-0.3 3,-1.9 -35,-0.2 4,-0.4 -0.907 31.2-136.7-114.7 98.3 -2.3 3.0 2.5 85 85 A C G > S+ 0 0 0 -2,-0.7 3,-1.3 -37,-0.5 -61,-1.2 0.705 87.8 96.5 -28.9 -28.7 0.6 0.5 2.9 86 86 A C G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -38,-0.2 -64,-0.1 0.771 101.9 21.5 -39.8 -26.3 1.0 1.9 6.5 87 87 A Q G < S+ 0 0 25 -3,-1.9 2,-1.3 2,-0.0 -1,-0.3 0.448 90.0 109.9-125.7 0.3 -1.1 -1.2 7.5 88 88 A I < - 0 0 0 -3,-1.3 -65,-2.4 -4,-0.4 2,-0.4 -0.618 58.3-156.4 -78.6 100.0 -0.9 -3.7 4.7 89 89 A I B -F 22 0B 43 -2,-1.3 2,-0.6 -67,-0.2 -67,-0.2 -0.632 10.0-131.6 -81.9 130.9 1.3 -6.4 6.5 90 90 A M - 0 0 0 -69,-2.3 -69,-0.5 -72,-0.6 -70,-0.2 -0.673 28.3-170.8 -82.6 120.7 3.2 -8.7 4.2 91 91 A T - 0 0 22 -2,-0.6 -89,-0.2 -72,-0.2 -74,-0.1 -0.572 38.7-106.1-106.2 174.3 2.9 -12.3 5.1 92 92 A P S S+ 0 0 86 0, 0.0 3,-0.3 0, 0.0 -90,-0.1 0.619 121.6 52.0 -73.9 -10.5 4.6 -15.4 3.9 93 93 A E S S+ 0 0 149 1,-0.2 -33,-0.1 -34,-0.1 -3,-0.0 0.792 106.5 53.0 -92.5 -30.5 1.5 -16.4 1.9 94 94 A L S > S+ 0 0 2 -35,-0.1 3,-1.3 -38,-0.1 2,-0.9 0.116 72.6 145.8 -90.1 25.0 1.3 -13.0 0.2 95 95 A D T 3 + 0 0 78 -3,-0.3 -92,-0.2 1,-0.3 -77,-0.1 -0.453 68.6 36.2 -63.1 104.2 4.9 -13.2 -0.9 96 96 A G T 3 S+ 0 0 21 -94,-2.4 -1,-0.3 -2,-0.9 -93,-0.2 0.542 79.5 175.8 125.0 18.4 4.6 -11.4 -4.2 97 97 A I E < -b 3 0A 0 -95,-1.6 -93,-1.9 -3,-1.3 2,-0.6 -0.183 20.2-147.1 -53.4 141.8 2.1 -8.6 -3.4 98 98 A V E -b 4 0A 47 -95,-0.2 -45,-4.1 -45,-0.1 2,-0.2 -0.937 14.8-166.4-115.5 112.5 1.4 -6.2 -6.2 99 99 A V E -bE 5 52A 0 -95,-1.8 -93,-2.7 -2,-0.6 2,-0.5 -0.664 8.9-143.7 -98.3 155.6 0.7 -2.6 -5.0 100 100 A D E -bE 6 51A 58 -49,-3.2 -49,-2.6 -2,-0.2 -93,-0.2 -0.960 6.4-153.4-122.9 124.8 -0.8 0.1 -7.2 101 101 A V - 0 0 19 -94,-0.6 -51,-0.2 -95,-0.5 -91,-0.2 -0.796 13.2-142.3 -99.2 137.4 0.2 3.7 -7.0 102 102 A P - 0 0 0 0, 0.0 3,-0.2 0, 0.0 -94,-0.2 -0.375 16.8-126.5 -89.2 170.6 -2.3 6.4 -8.1 103 103 A D S S+ 0 0 118 1,-0.2 2,-0.7 -95,-0.1 -27,-0.1 0.662 105.4 58.1 -91.5 -16.4 -1.6 9.7 -9.9 104 104 A R + 0 0 156 1,-0.1 -29,-0.8 2,-0.0 2,-0.7 -0.667 62.5 155.3-111.1 75.1 -3.4 11.7 -7.2 105 105 A Q 0 0 65 -2,-0.7 -56,-0.2 -3,-0.2 -59,-0.1 -0.350 360.0 360.0 -98.9 56.7 -1.5 10.7 -4.1 106 106 A W 0 0 131 -2,-0.7 -60,-0.3 -33,-0.1 -1,-0.2 0.949 360.0 360.0 -71.9 360.0 -2.4 13.8 -2.0