==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-JUN-98 1GPX . COMPND 2 MOLECULE: PUTIDAREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR T.C.POCHAPSKY,M.KUTI,S.KAZANIS . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 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 . 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 . 12 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 12.3 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 1 1 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 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 16 0, 0.0 16,-2.5 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 163.5 2.9 -9.8 -9.8 2 2 A K E +A 16 0A 118 14,-0.2 94,-3.0 12,-0.0 95,-1.7 -0.765 360.0 178.3 -90.1 117.2 5.9 -7.5 -9.3 3 3 A V E -Ab 15 97A 0 12,-2.1 12,-2.5 -2,-0.7 2,-0.4 -0.931 12.3-162.9-120.7 144.1 5.3 -5.1 -6.4 4 4 A V E -Ab 14 98A 20 93,-3.3 95,-4.7 -2,-0.4 2,-0.4 -0.982 6.1-155.3-128.5 130.2 7.7 -2.5 -5.1 5 5 A Y E -A 13 0A 5 8,-4.1 8,-3.2 -2,-0.4 2,-0.5 -0.860 3.9-165.2-106.5 137.6 7.4 -0.8 -1.8 6 6 A V E -A 12 0A 20 -2,-0.4 95,-2.1 6,-0.3 6,-0.3 -0.959 16.1-138.0-120.2 128.0 8.8 2.6 -0.8 7 7 A S > - 0 0 26 4,-3.9 3,-1.8 -2,-0.5 4,-0.3 -0.470 24.6-116.8 -79.5 154.3 9.1 3.7 2.8 8 8 A H T 3 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.2 42,-0.0 0.605 116.2 62.5 -67.6 -5.3 8.2 7.3 3.6 9 9 A D T 3 S- 0 0 122 2,-0.1 -1,-0.3 93,-0.0 -2,-0.0 0.631 128.9 -92.5 -93.3 -13.2 11.8 7.7 4.7 10 10 A G S < S+ 0 0 65 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.681 81.6 132.4 110.2 28.2 13.1 7.0 1.1 11 11 A T - 0 0 73 -4,-0.3 -4,-3.9 2,-0.0 2,-0.4 -0.857 37.0-157.4-109.8 144.4 13.7 3.2 1.2 12 12 A R E -A 6 0A 161 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.3 -0.930 11.0-178.8-123.7 147.7 12.4 0.9 -1.6 13 13 A R E -A 5 0A 113 -8,-3.2 -8,-4.1 -2,-0.4 2,-0.5 -0.993 11.1-155.3-140.0 147.0 11.7 -2.8 -1.7 14 14 A E E +A 4 0A 109 -2,-0.3 -10,-0.3 -10,-0.3 2,-0.2 -0.942 21.0 164.8-130.5 117.3 10.5 -5.1 -4.5 15 15 A L E -A 3 0A 19 -12,-2.5 -12,-2.1 -2,-0.5 2,-0.7 -0.508 42.0-102.3-115.2-172.6 8.6 -8.4 -3.9 16 16 A D E -A 2 0A 128 -14,-0.2 2,-1.0 -2,-0.2 -14,-0.2 -0.875 33.9-175.3-115.7 98.5 6.5 -10.9 -5.9 17 17 A V - 0 0 0 -16,-2.5 3,-0.1 -2,-0.7 6,-0.1 -0.782 11.6-177.5 -98.5 99.9 2.8 -10.3 -5.1 18 18 A A > - 0 0 43 -2,-1.0 3,-1.5 1,-0.2 2,-0.4 0.022 45.6 -50.9 -80.6-165.8 0.9 -13.0 -6.9 19 19 A D T 3 S+ 0 0 117 1,-0.2 72,-0.2 70,-0.1 -1,-0.2 -0.544 128.3 27.8 -72.0 121.9 -2.9 -13.5 -6.9 20 20 A G T 3 S+ 0 0 50 70,-0.9 -1,-0.2 -2,-0.4 2,-0.2 0.302 99.3 103.6 110.7 -8.2 -4.3 -13.5 -3.4 21 21 A V E < -C 90 0B 27 -3,-1.5 69,-2.9 69,-0.5 -1,-0.4 -0.634 57.9-141.1-103.8 166.8 -1.6 -11.2 -1.8 22 22 A S E > -C 89 0B 7 67,-0.3 4,-1.2 -2,-0.2 5,-0.3 -0.883 33.8-104.1-120.9 153.3 -1.7 -7.6 -0.8 23 23 A L H > S+ 0 0 2 65,-0.6 4,-1.0 -2,-0.3 5,-0.2 0.854 125.2 45.7 -46.4 -31.4 1.1 -5.0 -1.2 24 24 A M H > S+ 0 0 9 61,-1.7 4,-6.2 64,-0.3 5,-0.2 0.978 103.5 58.8 -77.7 -57.9 1.5 -5.4 2.5 25 25 A Q H > S+ 0 0 78 60,-0.3 4,-3.0 2,-0.2 5,-0.4 0.897 111.0 41.4 -37.2 -68.8 1.4 -9.2 2.8 26 26 A A H X S+ 0 0 9 -4,-1.2 4,-2.4 1,-0.2 5,-0.3 0.958 123.6 39.1 -44.4 -68.7 4.4 -9.8 0.5 27 27 A A H <>S+ 0 0 0 -4,-1.0 5,-2.1 -5,-0.3 6,-0.4 0.924 112.5 60.6 -47.3 -46.7 6.3 -6.9 2.0 28 28 A V H ><5S+ 0 0 50 -4,-6.2 3,-3.5 4,-0.2 -1,-0.2 0.961 105.5 44.8 -46.6 -62.8 5.0 -8.0 5.4 29 29 A S H 3<5S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.937 111.3 54.4 -48.2 -46.9 6.7 -11.4 5.2 30 30 A N T 3<5S- 0 0 86 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.537 121.2-115.4 -66.0 -2.4 9.7 -9.5 4.0 31 31 A G T X 5S+ 0 0 34 -3,-3.5 3,-1.2 -4,-0.4 -3,-0.2 0.365 78.8 133.9 82.3 -8.8 9.3 -7.5 7.2 32 32 A I T 3 S- 0 0 3 1,-0.1 3,-0.7 4,-0.1 6,-0.1 0.844 73.0-170.5 -69.8 -33.5 -4.6 -5.0 10.1 40 40 A G T 3 S- 0 0 71 1,-0.3 -1,-0.1 -4,-0.2 -3,-0.1 0.857 83.4 -46.0 44.1 33.5 -2.5 -8.2 10.6 41 41 A G T 3 S+ 0 0 40 -13,-0.0 -1,-0.3 -16,-0.0 -2,-0.1 0.853 133.4 91.9 80.1 33.9 -3.0 -8.6 6.8 42 42 A S S < S- 0 0 87 -3,-0.7 -2,-0.1 0, 0.0 -3,-0.1 0.276 101.0-102.6-140.1 8.0 -6.7 -7.8 6.9 43 43 A A S S+ 0 0 17 1,-0.1 27,-0.1 45,-0.1 -4,-0.1 0.982 83.1 123.5 65.7 56.7 -6.8 -4.0 6.3 44 44 A S + 0 0 67 26,-0.1 2,-0.3 23,-0.0 -1,-0.1 -0.167 43.0 118.0-132.3 31.6 -7.4 -3.0 9.9 45 45 A C - 0 0 1 -7,-0.3 28,-0.2 -6,-0.1 39,-0.1 -0.792 45.7-170.7-110.8 153.1 -4.4 -0.7 10.3 46 46 A A S S+ 0 0 28 -2,-0.3 28,-0.4 27,-0.1 -1,-0.1 0.419 91.2 48.4-111.4 -4.4 -3.9 3.0 10.9 47 47 A T S S+ 0 0 62 1,-0.1 24,-0.1 26,-0.1 -2,-0.0 0.665 90.2 72.9-110.3 -22.8 -0.2 3.0 10.2 48 48 A C + 0 0 2 22,-0.1 37,-1.9 36,-0.0 35,-0.1 0.458 62.5 146.2 -74.7 7.6 0.2 1.2 6.9 49 49 A H E +D 84 0C 2 35,-0.3 2,-0.3 21,-0.2 35,-0.3 -0.171 26.0 163.4 -43.1 120.2 -1.3 4.3 5.2 50 50 A V E -D 83 0C 1 33,-2.8 33,-2.6 51,-0.2 2,-0.6 -0.948 39.1-123.7-143.0 164.7 0.6 4.2 1.8 51 51 A Y E -DE 82 100C 27 49,-5.3 49,-0.8 -2,-0.3 2,-0.3 -0.931 19.3-152.7-115.0 119.2 0.4 5.7 -1.6 52 52 A V E - E 0 99C 2 29,-0.6 47,-0.2 -2,-0.6 5,-0.1 -0.659 37.0 -96.3 -85.5 141.9 0.2 3.3 -4.7 53 53 A N >> - 0 0 36 45,-3.1 3,-2.0 -2,-0.3 4,-1.4 -0.354 39.2-111.8 -59.1 131.6 1.7 4.8 -8.0 54 54 A E H 3> S+ 0 0 144 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.709 114.6 66.4 -36.7 -24.5 -1.4 6.1 -9.9 55 55 A A H 3> S+ 0 0 43 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.928 110.5 29.8 -71.5 -42.4 -0.7 3.3 -12.4 56 56 A F H <> S+ 0 0 29 -3,-2.0 4,-1.6 42,-0.2 -2,-0.2 0.545 110.9 70.0 -93.9 -4.6 -1.5 0.3 -10.1 57 57 A T H < S+ 0 0 23 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.771 100.0 47.0 -81.1 -24.8 -4.1 2.4 -8.1 58 58 A D H < S+ 0 0 100 -4,-0.8 -2,-0.2 -3,-0.1 -1,-0.2 0.812 116.4 43.0 -86.0 -30.2 -6.5 2.5 -11.1 59 59 A K H < S+ 0 0 129 -4,-0.6 -2,-0.2 2,-0.0 -3,-0.1 0.946 96.1 89.4 -79.7 -50.0 -6.3 -1.2 -11.8 60 60 A V S < S- 0 0 12 -4,-1.6 30,-0.1 1,-0.1 3,-0.1 0.106 93.3 -83.2 -39.7 162.9 -6.4 -2.5 -8.2 61 61 A P - 0 0 66 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.119 52.8 -87.0 -67.5 166.5 -9.8 -3.2 -6.7 62 62 A A - 0 0 101 -3,-0.1 2,-0.1 26,-0.0 -4,-0.0 -0.665 41.9-136.7 -80.8 115.2 -12.0 -0.4 -5.2 63 63 A A - 0 0 36 -2,-0.7 2,-0.2 4,-0.1 25,-0.0 -0.397 20.7-135.8 -69.4 146.6 -11.1 0.1 -1.6 64 64 A N > - 0 0 82 1,-0.1 3,-4.2 23,-0.1 4,-0.4 -0.494 36.2 -81.6 -99.9 174.0 -14.2 0.5 0.7 65 65 A E G >> S+ 0 0 139 1,-0.3 3,-1.8 2,-0.2 4,-1.3 0.796 126.7 69.5 -43.3 -29.2 -14.9 3.0 3.6 66 66 A R G 34 S+ 0 0 152 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.786 98.9 48.8 -64.7 -21.5 -12.8 0.7 5.7 67 67 A E G <4 S+ 0 0 14 -3,-4.2 -1,-0.3 3,-0.2 -2,-0.2 0.408 105.7 62.1 -95.9 2.0 -9.8 1.8 3.7 68 68 A I T <> S+ 0 0 64 -3,-1.8 4,-1.9 -4,-0.4 -2,-0.2 0.922 113.9 22.2 -91.8 -61.8 -10.7 5.5 4.1 69 69 A G H X S+ 0 0 36 -4,-1.3 4,-0.7 2,-0.2 -3,-0.1 0.961 125.3 51.9 -73.2 -48.5 -10.6 6.3 7.9 70 70 A M H >4 S+ 0 0 31 -5,-0.4 3,-0.8 -4,-0.4 4,-0.3 0.947 118.9 38.8 -48.6 -49.3 -8.2 3.4 8.8 71 71 A L H >4 S+ 0 0 0 -5,-0.3 3,-0.5 1,-0.2 -1,-0.3 0.834 115.7 52.3 -72.4 -33.0 -6.0 4.7 6.1 72 72 A E H 3< S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.385 75.3 108.8 -86.1 8.6 -6.7 8.3 7.0 73 73 A C T << S+ 0 0 68 -3,-0.8 2,-0.7 -4,-0.7 -1,-0.2 0.959 78.4 51.7 -49.0 -49.4 -5.8 7.6 10.6 74 74 A V S < S- 0 0 54 -3,-0.5 2,-1.5 -28,-0.4 4,-0.2 -0.770 106.1-114.3 -90.5 115.9 -2.7 9.7 10.1 75 75 A T + 0 0 106 -2,-0.7 -2,-0.1 1,-0.2 -3,-0.1 -0.178 61.9 146.0 -48.8 85.2 -3.7 13.1 8.6 76 76 A A S S- 0 0 0 -2,-1.5 -1,-0.2 -5,-0.1 3,-0.2 -0.100 70.5-106.7-117.2 36.4 -2.0 12.5 5.2 77 77 A E - 0 0 107 1,-0.1 -2,-0.1 -5,-0.1 -5,-0.0 0.899 47.3-119.3 39.2 52.6 -4.5 14.4 3.0 78 78 A L - 0 0 43 -4,-0.2 -1,-0.1 -10,-0.1 -6,-0.1 0.242 32.0-146.0 -19.8 119.8 -5.7 11.0 1.7 79 79 A K - 0 0 93 -3,-0.2 -3,-0.0 1,-0.1 -1,-0.0 -0.080 28.5 -94.9 -83.5-168.0 -5.1 11.0 -2.0 80 80 A P S S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.766 126.8 31.3 -81.1 -27.2 -7.3 9.3 -4.6 81 81 A N S S+ 0 0 22 -29,-0.1 -29,-0.6 2,-0.0 -31,-0.1 0.485 88.3 127.6-107.7 -5.6 -5.1 6.2 -4.6 82 82 A S E +D 51 0C 1 -31,-0.2 2,-0.3 -33,-0.1 -31,-0.2 -0.090 30.5 156.4 -49.0 153.3 -4.0 6.3 -0.9 83 83 A R E -D 50 0C 12 -33,-2.6 -33,-2.8 -35,-0.1 2,-0.2 -0.944 46.8 -92.2-175.0 153.3 -4.6 3.0 0.9 84 84 A L E >> -D 49 0C 0 -2,-0.3 3,-1.3 -35,-0.3 4,-0.5 -0.545 45.9-109.6 -74.6 137.6 -3.4 1.0 4.0 85 85 A S T 34 S+ 0 0 0 -37,-1.9 -61,-1.7 1,-0.3 -60,-0.3 0.737 116.5 54.9 -39.6 -22.1 -0.6 -1.5 3.1 86 86 A C T 34 S+ 0 0 6 -62,-0.2 -1,-0.3 -63,-0.2 -2,-0.1 -0.124 91.3 67.2-110.8 43.4 -3.3 -4.2 3.7 87 87 A Q T <4 S+ 0 0 28 -3,-1.3 2,-0.3 1,-0.1 -2,-0.1 0.655 80.1 72.1-127.6 -33.3 -6.3 -3.3 1.6 88 88 A I < - 0 0 0 -4,-0.5 -65,-0.6 -28,-0.1 2,-0.3 -0.613 65.2-150.4 -85.7 148.4 -5.4 -3.8 -2.1 89 89 A I E -C 22 0B 67 -2,-0.3 2,-0.5 -67,-0.2 -67,-0.3 -0.787 13.8-125.1-111.4 156.0 -4.9 -7.3 -3.5 90 90 A M E -C 21 0B 2 -69,-2.9 -70,-0.9 -72,-0.4 -69,-0.5 -0.883 20.7-160.7-108.4 128.6 -2.6 -8.1 -6.4 91 91 A T - 0 0 55 -2,-0.5 -74,-0.1 -72,-0.2 -31,-0.0 -0.534 36.3-104.4 -97.1 167.8 -3.8 -9.9 -9.5 92 92 A P S S+ 0 0 107 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.491 120.6 44.9 -70.6 -0.7 -1.7 -11.8 -12.1 93 93 A E S S+ 0 0 112 1,-0.1 2,-2.8 -92,-0.1 -3,-0.0 0.765 94.8 70.6-110.3 -40.8 -2.1 -8.8 -14.5 94 94 A L S S+ 0 0 6 -35,-0.1 3,-0.4 -93,-0.1 2,-0.3 -0.266 71.7 147.8 -73.7 58.8 -1.5 -5.7 -12.3 95 95 A D + 0 0 85 -2,-2.8 -92,-0.2 1,-0.2 -79,-0.0 -0.740 42.8 49.3-100.7 146.5 2.2 -6.4 -11.9 96 96 A G S S+ 0 0 23 -94,-3.0 -93,-0.2 -2,-0.3 2,-0.2 0.637 71.9 167.6 105.5 20.1 4.9 -3.7 -11.6 97 97 A I E -b 3 0A 0 -95,-1.7 -93,-3.3 -3,-0.4 2,-0.5 -0.476 22.7-154.3 -73.0 136.6 3.1 -1.8 -8.8 98 98 A V E -b 4 0A 46 -2,-0.2 -45,-3.1 -95,-0.2 2,-0.2 -0.928 12.1-167.0-110.9 122.8 5.1 0.8 -7.0 99 99 A V E -E 52 0C 1 -95,-4.7 2,-0.3 -2,-0.5 -47,-0.2 -0.640 6.0-176.7-104.3 169.1 4.1 1.7 -3.4 100 100 A D E -E 51 0C 55 -49,-0.8 -49,-5.3 -2,-0.2 -93,-0.2 -0.937 24.5-128.2-162.1 138.8 5.1 4.5 -1.3 101 101 A V - 0 0 45 -95,-2.1 2,-0.3 -2,-0.3 -51,-0.2 -0.734 40.3-108.6 -90.7 135.3 4.5 5.7 2.3 102 102 A P - 0 0 11 0, 0.0 3,-0.3 0, 0.0 -94,-0.1 -0.441 27.3-174.1 -66.9 126.5 3.3 9.3 2.6 103 103 A D > + 0 0 75 -2,-0.3 3,-2.7 1,-0.2 -2,-0.0 -0.010 41.0 136.3-103.5 27.3 5.7 11.8 4.0 104 104 A R T 3 + 0 0 63 1,-0.3 -1,-0.2 2,-0.1 -27,-0.0 0.696 55.5 75.9 -49.5 -18.6 2.9 14.3 3.8 105 105 A Q T 3 0 0 140 -3,-0.3 -1,-0.3 -29,-0.0 -2,-0.1 0.499 360.0 360.0 -75.9 1.5 3.9 15.4 7.3 106 106 A W < 0 0 249 -3,-2.7 -2,-0.1 0, 0.0 0, 0.0 0.623 360.0 360.0-104.2 360.0 6.8 17.2 5.6