==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JUN-99 1QR7 . COMPND 2 MOLECULE: PHENYLALANINE-REGULATED 3-DEOXY-D-ARABINO- . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.A.SHUMILIN,R.H.KRETSINGER,R.H.BAUERLE . 1353 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1014 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 170 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 4.7 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 . 8 0.6 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 . 4 0.3 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 . 99 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.4 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 4 0 0 6 2 0 1 3 0 5 3 0 0 3 8 5 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 5 12 8 8 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 . 6 0 0 0 8 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 4 0 0 0 0 0 4 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 8 A L 0 0 158 0, 0.0 511,-0.1 0, 0.0 510,-0.0 0.000 360.0 360.0 360.0 -40.5 53.1 1.3 48.7 2 9 A R + 0 0 32 509,-0.5 555,-1.9 557,-0.0 2,-0.7 0.344 360.0 96.7-105.5 0.3 49.9 0.3 46.8 3 10 A I E -A 556 0A 66 553,-0.2 553,-0.3 508,-0.2 3,-0.1 -0.770 55.0-171.7 -78.1 114.2 51.5 1.6 43.5 4 11 A K E - 0 0 132 551,-1.9 2,-0.3 -2,-0.7 552,-0.2 0.721 64.8 -1.1 -82.8 -19.8 53.1 -1.5 41.7 5 12 A E E -A 555 0A 99 550,-1.5 550,-2.3 2,-0.0 2,-0.4 -0.973 48.3-154.0-164.6 152.5 54.9 0.4 38.9 6 13 A I E -A 554 0A 88 -2,-0.3 2,-0.3 548,-0.2 548,-0.2 -0.996 22.7-178.0-125.2 124.7 55.6 3.9 37.5 7 14 A K E -A 553 0A 63 546,-2.4 546,-3.0 -2,-0.4 -2,-0.0 -0.926 32.2 -96.2-123.4 150.4 56.4 4.0 33.7 8 15 A E E -A 552 0A 121 -2,-0.3 2,-0.4 544,-0.2 544,-0.2 -0.308 31.6-150.8 -72.2 154.7 57.3 7.1 31.6 9 16 A L - 0 0 6 542,-0.5 542,-0.1 200,-0.1 -1,-0.0 -0.988 18.9-118.6-131.1 126.8 54.8 9.0 29.6 10 17 A L - 0 0 10 -2,-0.4 199,-0.1 1,-0.1 878,-0.0 -0.379 39.7-119.3 -63.2 130.2 55.5 11.0 26.4 11 18 A P >> - 0 0 7 0, 0.0 3,-2.2 0, 0.0 4,-1.2 -0.417 24.3-104.0 -67.9 153.8 54.5 14.7 27.1 12 19 A P H 3> S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.873 120.9 61.1 -39.6 -46.2 51.7 16.4 25.0 13 20 A V H 3> S+ 0 0 14 194,-2.7 4,-0.6 2,-0.2 5,-0.2 0.743 97.5 56.5 -61.1 -23.9 54.4 18.3 23.1 14 21 A A H X> S+ 0 0 0 -3,-2.2 4,-2.7 193,-0.3 3,-1.1 0.981 112.7 41.0 -69.6 -48.9 55.9 15.1 21.8 15 22 A L H 3X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.3 -2,-0.2 0.932 114.1 52.6 -64.2 -42.0 52.6 14.0 20.3 16 23 A L H 3< S+ 0 0 34 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.630 113.5 44.5 -70.4 -12.1 51.8 17.6 19.0 17 24 A E H << S+ 0 0 30 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.817 114.4 45.9 -96.9 -44.2 55.2 17.8 17.3 18 25 A K H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.886 130.8 25.4 -64.2 -37.9 55.1 14.3 15.7 19 26 A F S < S+ 0 0 28 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.536 79.7 178.8-128.9 67.6 51.5 15.0 14.6 20 27 A P - 0 0 63 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.303 42.4 -96.3 -60.1 150.6 50.8 18.7 14.2 21 28 A A - 0 0 41 -5,-0.1 2,-0.2 4,-0.1 103,-0.0 -0.445 41.3-134.9 -66.5 133.0 47.4 19.8 13.0 22 29 A T > - 0 0 57 -2,-0.1 4,-3.0 102,-0.1 5,-0.2 -0.488 28.2-100.1 -78.1 171.4 47.5 20.3 9.3 23 30 A E H > S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.880 126.4 48.9 -61.8 -33.4 45.8 23.4 7.9 24 31 A N H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.972 110.4 50.3 -70.8 -45.8 42.9 21.3 6.8 25 32 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.939 110.9 48.9 -55.0 -50.1 42.6 19.7 10.2 26 33 A A H X S+ 0 0 50 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.870 110.6 51.3 -57.9 -39.4 42.7 23.1 11.9 27 34 A N H X S+ 0 0 70 -4,-2.0 4,-2.4 -5,-0.2 5,-0.3 0.872 106.6 53.3 -68.7 -36.3 40.0 24.4 9.6 28 35 A T H X S+ 0 0 13 -4,-2.2 4,-2.7 -3,-0.4 5,-0.2 0.962 111.8 45.5 -58.6 -52.8 37.7 21.5 10.3 29 36 A V H X S+ 0 0 6 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.915 112.6 50.4 -58.2 -52.4 37.9 22.0 14.0 30 37 A A H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.932 114.4 42.4 -55.8 -48.4 37.4 25.8 13.8 31 38 A H H X S+ 0 0 110 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.878 113.2 51.8 -72.1 -36.4 34.3 25.7 11.6 32 39 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 5,-0.3 0.951 111.8 46.7 -64.5 -44.8 32.7 22.9 13.5 33 40 A R H X S+ 0 0 51 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.930 114.0 48.0 -63.3 -45.1 33.1 24.7 16.8 34 41 A K H X S+ 0 0 127 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.919 112.1 52.1 -58.1 -40.2 31.8 28.0 15.2 35 42 A A H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.951 111.2 43.0 -63.9 -52.5 28.9 25.9 13.8 36 43 A I H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.847 111.3 58.7 -66.6 -29.9 27.9 24.4 17.1 37 44 A H H X S+ 0 0 66 -4,-2.3 4,-3.0 -5,-0.3 -2,-0.2 0.975 107.6 43.9 -63.4 -52.5 28.4 27.8 18.7 38 45 A K H X>S+ 0 0 102 -4,-2.7 5,-1.8 1,-0.2 4,-0.6 0.920 113.1 53.2 -58.7 -42.9 25.8 29.4 16.3 39 46 A I H ><5S+ 0 0 4 -4,-2.5 3,-0.8 2,-0.2 5,-0.2 0.915 113.1 42.4 -57.9 -45.5 23.4 26.4 16.9 40 47 A L H 3<5S+ 0 0 13 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.949 111.6 54.4 -69.9 -40.7 23.6 26.8 20.6 41 48 A K H 3<5S- 0 0 145 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.584 115.2-122.1 -65.5 -8.7 23.3 30.6 20.4 42 49 A G T <<5S+ 0 0 56 -3,-0.8 -3,-0.2 -4,-0.6 2,-0.2 0.541 82.2 114.8 80.7 5.8 20.1 29.9 18.4 43 50 A N S - 0 0 38 1,-0.1 4,-2.0 2,-0.0 -1,-0.3 -0.851 57.9-161.0-149.8 111.5 40.4 -0.2 15.1 59 66 A P H > S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.864 93.7 56.8 -62.2 -35.9 41.8 2.7 13.1 60 67 A V H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.979 111.8 40.2 -61.7 -56.6 41.2 0.8 9.8 61 68 A A H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.827 115.3 55.1 -59.4 -31.0 37.4 0.4 10.4 62 69 A A H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.916 107.1 46.9 -73.5 -40.8 37.4 3.9 11.9 63 70 A K H X S+ 0 0 94 -4,-2.7 4,-2.4 -3,-0.2 -2,-0.2 0.865 113.9 50.7 -66.3 -36.7 38.9 5.6 8.7 64 71 A E H X S+ 0 0 70 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.987 110.9 46.1 -61.2 -57.3 36.4 3.6 6.6 65 72 A Y H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.867 110.4 57.3 -55.3 -38.1 33.4 4.7 8.8 66 73 A A H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 3,-0.2 0.964 107.9 42.9 -62.8 -49.8 34.8 8.3 8.6 67 74 A T H X S+ 0 0 86 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.973 113.2 53.5 -64.6 -46.5 34.8 8.5 4.8 68 75 A R H X S+ 0 0 90 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.856 115.5 41.6 -48.4 -37.2 31.4 6.8 4.6 69 76 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.867 105.0 61.6 -84.1 -31.9 30.1 9.5 7.1 70 77 A L H X S+ 0 0 32 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.879 100.5 57.3 -58.5 -37.3 31.9 12.4 5.4 71 78 A A H X S+ 0 0 57 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.987 111.4 41.3 -51.4 -63.6 29.8 11.6 2.3 72 79 A L H X S+ 0 0 8 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.752 110.7 58.6 -56.8 -28.1 26.7 12.1 4.5 73 80 A R H X S+ 0 0 29 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.991 113.9 37.1 -66.6 -52.5 28.2 15.1 6.2 74 81 A E H >< S+ 0 0 111 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.951 115.5 53.9 -61.2 -48.9 28.6 16.9 2.9 75 82 A E H 3< S+ 0 0 107 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.841 120.4 32.4 -55.4 -36.5 25.4 15.6 1.5 76 83 A L H >X S+ 0 0 15 -4,-1.8 3,-3.0 -5,-0.2 4,-1.5 0.517 77.8 120.5-110.5 13.2 23.4 16.9 4.5 77 84 A K T << S+ 0 0 103 -4,-1.4 -1,-0.1 -3,-0.7 -2,-0.1 0.319 71.2 60.2 -58.8 6.2 25.3 20.1 5.6 78 85 A D T 34 S+ 0 0 101 -2,-0.9 -1,-0.3 -3,-0.2 3,-0.1 0.519 120.1 23.7-111.0 -12.4 22.3 22.4 5.1 79 86 A E T <4 S+ 0 0 30 -3,-3.0 -32,-1.9 1,-0.3 2,-0.3 0.506 126.8 32.3-121.9 -11.6 20.2 20.6 7.7 80 87 A L E < -c 47 0B 1 -4,-1.5 2,-0.7 -34,-0.3 -1,-0.3 -0.999 55.9-144.6-152.8 142.5 22.7 18.9 10.0 81 88 A E E -c 48 0B 11 -34,-2.9 -32,-2.9 -2,-0.3 2,-0.6 -0.948 30.9-157.1-110.5 105.6 26.2 19.4 11.4 82 89 A I E +c 49 0B 0 -2,-0.7 2,-0.4 -34,-0.2 -32,-0.2 -0.814 15.1 179.1 -96.2 121.4 27.6 15.9 11.5 83 90 A V E -c 50 0B 0 -34,-2.9 -32,-2.3 -2,-0.6 2,-0.4 -0.951 25.4-126.4-120.1 132.3 30.4 15.2 13.9 84 91 A M E -ce 51 133B 0 48,-2.9 50,-2.7 -2,-0.4 2,-1.0 -0.662 17.1-122.5 -82.9 139.2 31.9 11.8 14.3 85 92 A R E + e 0 134B 1 -34,-2.2 2,-0.7 -2,-0.4 50,-0.2 -0.655 32.8 175.0 -73.7 100.0 32.2 10.0 17.6 86 93 A V + 0 0 0 48,-2.7 2,-0.9 -2,-1.0 50,-0.1 -0.657 11.5 179.5-108.4 75.3 35.9 9.3 18.0 87 94 A Y + 0 0 4 -2,-0.7 -31,-2.1 -34,-0.3 13,-0.3 -0.666 16.3 165.6 -86.9 106.0 35.8 7.9 21.6 88 95 A F + 0 0 5 -2,-0.9 13,-1.4 48,-0.2 14,-0.5 0.615 64.9 50.9 -90.5 -20.2 39.2 6.8 22.8 89 96 A E - 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