==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 24-JUL-07 2Z69 . COMPND 2 MOLECULE: DNR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.GIARDINA,K.A.JOHNSON,A.DI MATTEO . 436 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0 4 3 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 4 3 2 4 2 1 0 0 0 1 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 4 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 -2 A G 0 0 94 0, 0.0 2,-2.9 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-163.9 -6.7 -50.3 30.7 2 -1 A S + 0 0 125 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.363 360.0 54.1 69.2 -58.8 -4.9 -51.1 34.1 3 0 A H S S- 0 0 93 -2,-2.9 -1,-0.3 1,-0.0 5,-0.1 0.744 112.0-142.5 -53.5 -25.2 -2.4 -52.7 31.8 4 1 A M > + 0 0 78 3,-0.1 4,-2.3 4,-0.1 5,-0.4 0.905 29.1 179.5 47.4 49.8 -2.7 -49.2 30.4 5 2 A E H > + 0 0 105 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.890 69.7 54.5 -35.6 -55.7 -2.4 -50.6 27.0 6 3 A F H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 112.6 36.8 -61.6 -52.5 -2.6 -47.2 25.3 7 4 A Q H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 117.3 51.5 -65.2 -44.1 0.2 -45.2 27.1 8 5 A R H < S+ 0 0 154 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.834 113.6 45.9 -64.1 -29.5 2.6 -48.2 27.3 9 6 A V H < S+ 0 0 81 -4,-2.1 4,-0.2 -5,-0.4 -2,-0.2 0.957 126.9 24.9 -72.6 -47.7 2.1 -48.8 23.6 10 7 A H H X S+ 0 0 32 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.447 92.2 92.1-105.0 -7.4 2.5 -45.2 22.4 11 8 A Q H X S+ 0 0 64 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.873 84.9 55.4 -61.4 -41.2 4.6 -43.3 25.0 12 9 A Q H 4 S+ 0 0 162 -4,-0.3 4,-0.4 -5,-0.2 -1,-0.2 0.934 112.0 44.4 -56.9 -46.9 8.0 -43.9 23.4 13 10 A L H >4 S+ 0 0 40 -4,-0.2 3,-1.2 1,-0.2 -2,-0.2 0.946 117.0 43.6 -61.6 -52.4 6.7 -42.4 20.1 14 11 A L H >< S+ 0 0 0 -4,-2.3 3,-2.7 1,-0.3 6,-0.5 0.871 104.4 63.0 -64.6 -38.9 5.0 -39.3 21.7 15 12 A Q T 3< S+ 0 0 62 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.645 92.9 66.9 -67.8 -8.6 7.8 -38.6 24.1 16 13 A S T < S+ 0 0 74 -3,-1.2 2,-0.4 -4,-0.4 -1,-0.3 0.432 90.6 77.0 -83.7 -4.5 9.9 -38.0 20.9 17 14 A H S X> S- 0 0 17 -3,-2.7 4,-2.3 1,-0.1 3,-1.6 -0.921 83.2-129.5-110.1 137.9 7.8 -34.9 20.2 18 15 A H T 34 S+ 0 0 78 -2,-0.4 -1,-0.1 1,-0.3 110,-0.1 0.650 102.9 62.2 -58.7 -20.8 8.2 -31.6 22.1 19 16 A L T 34 S+ 0 0 2 1,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.773 119.5 23.8 -78.3 -20.7 4.5 -31.1 22.9 20 17 A F T X4 S+ 0 0 0 -3,-1.6 3,-1.4 -6,-0.5 -2,-0.2 0.663 101.3 81.6-116.6 -27.5 4.4 -34.4 25.0 21 18 A E T 3< S+ 0 0 111 -4,-2.3 -3,-0.1 -7,-0.4 -2,-0.1 0.825 92.0 52.7 -51.2 -39.8 8.1 -35.0 26.1 22 19 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 103,-0.1 0.685 86.4 107.4 -72.7 -16.4 7.8 -32.4 29.1 23 20 A L S < S- 0 0 5 -3,-1.4 99,-0.0 1,-0.1 -3,-0.0 -0.406 70.7-126.9 -68.8 133.0 4.7 -34.1 30.4 24 21 A S > - 0 0 44 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.214 33.7 -94.7 -64.5 165.4 5.1 -36.2 33.6 25 22 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.917 127.7 43.8 -46.2 -52.9 3.9 -39.9 33.7 26 23 A V H > S+ 0 0 95 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.880 111.7 52.6 -65.0 -42.4 0.6 -38.8 35.3 27 24 A Q H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 111.9 45.8 -61.6 -41.7 0.1 -35.9 32.9 28 25 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.896 111.7 53.2 -65.5 -41.1 0.6 -38.1 29.8 29 26 A Q H X S+ 0 0 73 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.934 111.3 45.1 -56.2 -54.1 -1.7 -40.7 31.4 30 27 A E H X S+ 0 0 99 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.871 113.5 50.3 -59.7 -41.0 -4.5 -38.1 31.8 31 28 A L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 80,-0.5 0.940 113.1 45.8 -59.8 -49.1 -4.0 -36.7 28.3 32 29 A L H >< S+ 0 0 9 -4,-2.7 3,-2.5 1,-0.2 -1,-0.2 0.751 95.2 72.5 -70.0 -22.7 -4.1 -40.1 26.7 33 30 A A H 3< S+ 0 0 80 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.9 39.6 -64.3 -26.4 -7.2 -41.3 28.7 34 31 A S T << S+ 0 0 72 -3,-1.0 -1,-0.3 -4,-0.7 2,-0.3 0.051 104.1 97.3-105.5 22.2 -9.0 -38.8 26.4 35 32 A S < - 0 0 12 -3,-2.5 2,-0.3 75,-0.2 75,-0.2 -0.826 48.7-169.8-117.4 160.5 -7.0 -39.7 23.2 36 33 A D E -A 109 0A 74 73,-1.8 73,-2.8 -2,-0.3 2,-0.4 -0.934 23.5-126.9-144.0 151.7 -7.6 -42.0 20.3 37 34 A L E -A 108 0A 45 -2,-0.3 2,-0.4 71,-0.2 71,-0.2 -0.925 32.3-165.7-107.4 131.8 -5.8 -43.5 17.3 38 35 A V E -A 107 0A 24 69,-2.8 69,-2.5 -2,-0.4 2,-0.5 -0.974 13.7-155.2-126.4 130.3 -7.7 -42.9 14.0 39 36 A N E -A 106 0A 117 -2,-0.4 2,-0.4 67,-0.2 67,-0.2 -0.952 18.0-166.0-106.3 123.3 -7.3 -44.5 10.6 40 37 A L E -A 105 0A 30 65,-3.0 65,-2.2 -2,-0.5 3,-0.1 -0.914 14.8-128.5-114.8 136.6 -8.5 -42.3 7.7 41 38 A D > - 0 0 131 -2,-0.4 3,-2.2 63,-0.2 60,-0.2 -0.344 49.4 -72.2 -70.8 156.4 -9.1 -43.4 4.1 42 39 A K T 3 S+ 0 0 154 1,-0.3 60,-0.2 60,-0.1 -1,-0.2 -0.271 121.5 10.0 -43.7 121.6 -7.5 -41.5 1.2 43 40 A G T 3 S+ 0 0 29 58,-1.3 -1,-0.3 1,-0.3 2,-0.2 0.536 91.9 133.6 85.4 6.7 -9.3 -38.2 0.9 44 41 A A < - 0 0 35 -3,-2.2 57,-3.0 59,-0.1 2,-0.5 -0.532 57.2-108.7 -85.3 162.0 -11.3 -38.2 4.2 45 42 A Y E -D 100 0B 115 55,-0.2 55,-0.2 -2,-0.2 3,-0.1 -0.810 20.1-169.2-100.1 123.7 -11.4 -35.2 6.4 46 43 A V E S- 0 0 20 53,-1.4 2,-0.3 -2,-0.5 -1,-0.2 0.902 83.4 -31.3 -62.0 -49.0 -9.7 -35.0 9.8 47 44 A F E -D 99 0B 6 52,-1.5 52,-2.1 -3,-0.1 2,-0.4 -0.966 67.5-119.1-165.6 159.4 -11.7 -31.7 10.3 48 45 A R > - 0 0 101 -2,-0.3 3,-2.7 50,-0.2 50,-0.2 -0.897 33.1 -92.6-118.3 148.5 -13.1 -28.9 8.2 49 46 A Q T 3 S+ 0 0 82 -2,-0.4 47,-0.2 1,-0.3 49,-0.1 -0.230 115.8 21.6 -45.8 121.3 -12.6 -25.2 8.0 50 47 A G T 3 S+ 0 0 44 45,-2.3 -1,-0.3 1,-0.3 46,-0.1 0.295 93.7 127.1 97.2 -9.7 -15.2 -23.6 10.3 51 48 A E S < S- 0 0 104 -3,-2.7 44,-4.2 46,-0.2 -1,-0.3 -0.511 73.0 -86.1 -80.6 147.5 -15.8 -26.7 12.4 52 49 A P B -G 94 0C 64 0, 0.0 2,-0.9 0, 0.0 42,-0.3 -0.247 40.7-129.3 -56.7 141.7 -15.6 -26.5 16.3 53 50 A A + 0 0 12 40,-2.7 3,-0.1 1,-0.2 -6,-0.0 -0.763 56.3 131.1-104.4 94.3 -12.0 -27.0 17.6 54 51 A H + 0 0 139 -2,-0.9 58,-2.2 1,-0.1 59,-0.5 0.461 63.3 44.8-122.2 -7.1 -11.8 -29.6 20.3 55 52 A A E -B 111 0A 13 56,-0.2 2,-0.3 -3,-0.2 56,-0.2 -0.965 54.2-160.1-138.8 152.2 -8.9 -31.8 19.2 56 53 A F E -B 110 0A 0 54,-1.9 54,-3.4 -2,-0.3 2,-0.3 -0.869 22.2-139.4-125.7 170.4 -5.4 -31.6 17.8 57 54 A Y E -BC 109 83A 16 26,-2.5 26,-2.2 -2,-0.3 2,-0.4 -0.882 16.6-151.6-136.1 156.0 -3.5 -34.3 16.0 58 55 A Y E -BC 108 82A 1 50,-1.8 50,-2.5 -2,-0.3 2,-0.9 -0.994 26.2-137.2-125.2 121.1 -0.2 -36.1 15.5 59 56 A L E +BC 107 81A 0 22,-2.9 21,-3.2 -2,-0.4 22,-0.6 -0.700 26.6 173.6 -81.5 109.5 0.3 -37.6 12.1 60 57 A I E - 0 0 31 46,-1.9 2,-0.3 -2,-0.9 47,-0.2 0.978 66.2 -6.4 -76.1 -68.5 1.8 -41.1 12.5 61 58 A S E S+B 106 0A 50 45,-1.3 45,-3.1 18,-0.1 -1,-0.3 -0.968 109.1 29.7-130.9 148.8 1.8 -42.5 8.9 62 59 A G S S- 0 0 12 -2,-0.3 2,-0.4 43,-0.3 43,-0.2 -0.776 83.9 -67.5 106.9-149.7 0.4 -41.1 5.7 63 60 A C - 0 0 40 40,-0.4 39,-2.4 -2,-0.3 40,-0.7 -0.967 29.7-167.5-157.5 123.5 -0.2 -37.5 4.6 64 61 A V E -EF 77 101B 0 13,-0.8 13,-2.3 -2,-0.4 2,-0.4 -0.960 9.8-155.3-121.1 133.0 -2.4 -34.6 5.6 65 62 A K E -EF 76 100B 92 35,-2.5 35,-2.0 -2,-0.4 2,-0.4 -0.952 8.9-162.7-109.4 131.3 -2.9 -31.5 3.5 66 63 A I E +EF 75 99B 4 9,-3.6 9,-1.9 -2,-0.4 8,-1.4 -0.980 22.1 149.5-124.1 127.7 -3.9 -28.2 5.2 67 64 A Y E - F 0 98B 52 31,-1.6 31,-2.2 -2,-0.4 2,-0.2 -0.976 33.1-129.3-157.1 153.3 -5.4 -25.3 3.3 68 65 A R - 0 0 81 -2,-0.3 2,-0.2 29,-0.2 29,-0.1 -0.531 27.1-109.9-103.3 170.3 -7.8 -22.4 3.6 69 66 A L - 0 0 75 -2,-0.2 -1,-0.1 1,-0.0 0, 0.0 -0.554 29.9-117.6-101.3 167.0 -10.7 -21.2 1.4 70 67 A T 0 0 127 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.682 360.0 360.0-112.9 158.0 -10.9 -18.1 -0.9 71 68 A P 0 0 194 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.595 360.0 360.0 -62.3 360.0 -13.1 -14.8 -1.1 72 ! 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 73 74 A I 0 0 113 0, 0.0 -6,-0.2 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 48.9 -2.5 -23.2 0.6 74 75 A L - 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0 0 55 1,-0.1 -2,-0.2 2,-0.1 4,-0.1 -0.670 62.1-153.6 -79.6 131.1 -11.8 -18.4 18.1 93 94 A P S S+ 0 0 92 0, 0.0 -40,-2.7 0, 0.0 2,-0.3 0.500 72.1 71.3 -86.6 -2.8 -13.4 -21.6 19.3 94 95 A N B S-G 52 0C 79 -42,-0.3 -43,-0.1 1,-0.1 -2,-0.1 -0.862 94.7 -90.6-113.4 147.1 -13.8 -23.1 15.7 95 96 A Y - 0 0 8 -44,-4.2 -45,-2.3 -2,-0.3 -1,-0.1 -0.238 24.9-154.9 -50.7 139.8 -11.2 -24.4 13.3 96 97 A V S S+ 0 0 37 -47,-0.2 2,-0.3 -46,-0.1 -47,-0.1 0.305 71.9 21.3-103.6 4.2 -9.8 -21.8 10.9 97 98 A A S S- 0 0 3 -46,-0.1 2,-0.4 -49,-0.1 -46,-0.2 -0.949 77.4-101.4-161.2 174.9 -8.8 -24.3 8.1 98 99 A T E - F 0 67B 1 -31,-2.2 -31,-1.6 -2,-0.3 2,-0.5 -0.903 20.6-164.3-115.3 130.8 -9.4 -27.9 6.6 99 100 A A E +DF 47 66B 0 -52,-2.1 -52,-1.5 -2,-0.4 -53,-1.4 -0.982 14.3 176.1-114.9 127.0 -7.2 -30.9 7.0 100 101 A Q E -DF 45 65B 32 -35,-2.0 -35,-2.5 -2,-0.5 2,-0.2 -0.992 31.1-122.6-129.8 135.4 -7.8 -33.8 4.6 101 102 A A E - F 0 64B 0 -57,-3.0 -58,-1.3 -2,-0.4 -37,-0.2 -0.592 19.3-169.1 -71.9 140.0 -5.9 -37.1 4.3 102 103 A V S S+ 0 0 49 -39,-2.4 -60,-0.1 -2,-0.2 -38,-0.1 0.384 75.4 18.0-115.0 -4.2 -4.5 -37.5 0.8 103 104 A V S S- 0 0 59 -40,-0.7 -40,-0.4 -62,-0.1 -60,-0.2 -0.897 114.0 -62.8-140.7 172.1 -3.5 -41.1 1.3 104 105 A P S S- 0 0 86 0, 0.0 2,-0.3 0, 0.0 -63,-0.2 -0.447 70.7-172.9 -50.0 116.9 -4.5 -43.7 3.9 105 106 A S E -A 40 0A 5 -65,-2.2 -65,-3.0 -2,-0.2 2,-0.4 -0.908 25.8-150.3-121.9 151.2 -3.3 -42.0 7.1 106 107 A Q E +AB 39 61A 54 -45,-3.1 -46,-1.9 -2,-0.3 -45,-1.3 -0.986 26.7 170.7-115.9 134.3 -3.0 -42.9 10.8 107 108 A L E -AB 38 59A 0 -69,-2.5 -69,-2.8 -2,-0.4 2,-0.4 -0.950 34.1-124.6-135.6 153.7 -3.2 -40.2 13.5 108 109 A F E -AB 37 58A 0 -50,-2.5 -50,-1.8 -2,-0.3 2,-0.5 -0.829 24.5-153.2 -86.0 138.2 -3.4 -39.6 17.1 109 110 A R E -AB 36 57A 101 -73,-2.8 -73,-1.8 -2,-0.4 2,-0.4 -0.973 14.8-167.6-112.6 122.7 -6.3 -37.5 18.1 110 111 A F E - 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