==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 22-JAN-08 2JZY . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATORY PROTEIN PCOR; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.HUNG,P.FANG,C.CHANG,S.TSAI,T.HUANG . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 60.6 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 . 15 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 . 8 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 0 0 1 0 1 0 1 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 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 . 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 251 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.1 2.1 -0.0 -1.2 2 2 A A - 0 0 87 2,-0.0 2,-0.4 3,-0.0 3,-0.1 -0.583 360.0-137.6-102.5 166.7 2.2 -3.7 -2.0 3 3 A A + 0 0 83 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.832 54.7 119.3-129.2 94.5 -0.5 -6.4 -1.6 4 4 A T + 0 0 67 -2,-0.4 12,-0.6 1,-0.2 2,-0.3 0.002 68.2 50.7-142.8 29.3 0.8 -9.7 -0.2 5 5 A V - 0 0 75 9,-0.2 2,-0.5 10,-0.1 -1,-0.2 -0.840 57.2-158.9-170.5 129.7 -1.2 -10.1 3.0 6 6 A C E -A 13 0A 70 7,-2.2 7,-3.0 -2,-0.3 2,-0.2 -0.960 12.6-153.1-118.8 125.2 -4.9 -9.9 4.0 7 7 A T E -A 12 0A 109 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.638 12.7-170.9 -95.0 152.8 -6.0 -9.3 7.6 8 8 A I E > -A 11 0A 34 3,-2.2 3,-0.6 -2,-0.2 -1,-0.0 -0.588 48.5 -65.9-127.3-170.5 -9.3 -10.4 9.1 9 9 A A T 3 S- 0 0 25 1,-0.2 -2,-0.0 -2,-0.2 3,-0.0 0.887 127.7 -12.3 -45.8 -46.8 -11.3 -10.0 12.3 10 10 A D T 3 S+ 0 0 89 13,-0.0 2,-0.3 12,-0.0 -1,-0.2 -0.275 122.7 65.8-156.4 58.8 -8.6 -11.7 14.3 11 11 A M E < -A 8 0A 22 -3,-0.6 -3,-2.2 11,-0.2 2,-0.4 -0.979 63.6-124.7-168.7 168.5 -6.1 -13.4 11.9 12 12 A T E -AB 7 21A 50 9,-1.2 9,-2.2 -2,-0.3 2,-0.3 -0.922 21.1-162.1-132.5 108.3 -3.5 -12.8 9.2 13 13 A V E -AB 6 20A 5 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.5 -0.694 5.6-152.8 -90.8 139.7 -3.8 -14.5 5.8 14 14 A D > - 0 0 28 5,-2.2 4,-1.2 -2,-0.3 5,-0.5 -0.945 15.4-177.4-116.8 115.8 -0.7 -14.8 3.6 15 15 A M T 4 S+ 0 0 95 -2,-0.5 -10,-0.1 -11,-0.2 -1,-0.1 0.606 92.6 40.4 -82.9 -12.9 -1.3 -15.0 -0.2 16 16 A V T 4 S+ 0 0 85 -12,-0.6 -1,-0.2 3,-0.1 -11,-0.1 0.714 127.6 30.2-103.8 -30.7 2.5 -15.4 -0.7 17 17 A R T 4 S- 0 0 166 -13,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.542 96.4-135.9-103.8 -12.7 3.2 -17.7 2.2 18 18 A R < + 0 0 57 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.961 59.4 124.7 54.6 57.5 -0.2 -19.4 2.2 19 19 A T - 0 0 21 -5,-0.5 -5,-2.2 22,-0.1 2,-0.4 -0.904 52.7-139.3-140.3 167.9 -0.5 -19.3 6.0 20 20 A V E -B 13 0A 21 -2,-0.3 7,-2.0 7,-0.3 2,-0.7 -0.953 9.6-165.0-137.0 116.2 -2.9 -18.0 8.7 21 21 A I E -BC 12 26A 41 -9,-2.2 -9,-1.2 -2,-0.4 2,-0.7 -0.878 6.5-163.7-104.4 111.6 -1.8 -16.4 11.9 22 22 A R E > S- C 0 25A 45 3,-3.0 3,-1.2 -2,-0.7 -11,-0.2 -0.838 76.2 -27.3 -98.1 113.1 -4.5 -16.2 14.6 23 23 A S T 3 S- 0 0 77 -2,-0.7 -1,-0.2 1,-0.3 -12,-0.1 0.814 130.8 -45.6 54.0 31.2 -3.6 -13.7 17.3 24 24 A G T 3 S+ 0 0 53 -3,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.640 121.5 110.8 87.3 15.6 0.0 -14.3 16.5 25 25 A K E < -C 22 0A 116 -3,-1.2 -3,-3.0 0, 0.0 2,-0.2 -0.950 62.6-138.7-128.8 112.8 -0.5 -18.1 16.4 26 26 A K E -C 21 0A 115 -2,-0.5 -5,-0.2 -5,-0.3 2,-0.2 -0.493 23.3-127.0 -70.1 130.8 -0.2 -20.0 13.1 27 27 A I - 0 0 32 -7,-2.0 2,-0.3 -2,-0.2 -7,-0.3 -0.529 18.8-141.6 -79.9 144.7 -2.8 -22.7 12.7 28 28 A H + 0 0 179 -2,-0.2 2,-0.3 0, 0.0 -1,-0.0 -0.834 27.7 157.2-109.0 145.7 -1.8 -26.3 11.9 29 29 A L - 0 0 52 -2,-0.3 2,-0.1 1,-0.0 47,-0.0 -0.896 34.9 -97.3-151.9 179.4 -3.6 -28.7 9.6 30 30 A T > - 0 0 73 -2,-0.3 4,-2.4 1,-0.0 5,-0.2 -0.284 47.0 -88.6 -95.9-176.1 -3.1 -31.8 7.4 31 31 A G H > S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.951 126.4 43.0 -58.9 -52.7 -2.6 -32.1 3.7 32 32 A K H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.955 117.1 46.0 -58.8 -53.4 -6.2 -32.2 2.7 33 33 A E H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.845 109.9 56.6 -58.9 -34.6 -7.2 -29.4 5.1 34 34 A Y H X S+ 0 0 85 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.852 106.0 50.2 -66.1 -35.2 -4.1 -27.4 3.8 35 35 A V H X S+ 0 0 21 -4,-1.7 4,-2.0 -3,-0.5 5,-0.3 0.914 108.5 51.0 -69.5 -44.3 -5.4 -27.7 0.2 36 36 A L H X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.918 118.6 37.5 -59.5 -45.5 -8.9 -26.5 1.1 37 37 A L H X S+ 0 0 31 -4,-2.0 4,-3.3 2,-0.2 5,-0.5 0.811 108.3 66.2 -76.2 -31.3 -7.5 -23.4 2.9 38 38 A E H X S+ 0 0 38 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.927 113.0 31.2 -55.4 -48.7 -4.7 -23.0 0.3 39 39 A L H X S+ 0 0 21 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.897 118.6 55.0 -77.4 -42.9 -7.2 -22.2 -2.4 40 40 A L H < S+ 0 0 8 -4,-1.9 59,-0.3 -5,-0.3 6,-0.2 0.933 116.1 37.6 -55.7 -49.7 -9.7 -20.5 -0.1 41 41 A L H >< S+ 0 0 4 -4,-3.3 3,-1.3 1,-0.2 -1,-0.2 0.881 115.0 54.9 -70.4 -39.2 -7.1 -18.1 1.2 42 42 A Q H 3< S+ 0 0 63 -4,-1.5 -2,-0.2 -5,-0.5 -1,-0.2 0.870 120.0 32.4 -62.0 -37.8 -5.4 -17.8 -2.2 43 43 A R T >< S+ 0 0 124 -4,-2.8 3,-2.0 -5,-0.1 -1,-0.3 0.065 89.0 156.5-106.5 22.3 -8.8 -16.7 -3.7 44 44 A T T < + 0 0 38 -3,-1.3 -3,-0.1 1,-0.2 56,-0.1 -0.190 60.6 35.9 -50.9 135.2 -10.0 -15.0 -0.5 45 45 A G T 3 S+ 0 0 63 54,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.154 110.8 68.0 105.2 -18.2 -12.6 -12.4 -1.3 46 46 A E S < S- 0 0 110 -3,-2.0 2,-0.3 -6,-0.2 53,-0.2 -0.978 83.6-110.7-136.2 148.4 -14.2 -14.3 -4.1 47 47 A V - 0 0 48 -2,-0.3 51,-0.2 51,-0.1 44,-0.1 -0.606 35.9-167.8 -79.9 132.7 -16.3 -17.5 -4.4 48 48 A L B -D 97 0B 8 49,-2.0 49,-1.9 -2,-0.3 47,-0.1 -0.825 22.1-100.7-120.0 159.4 -14.5 -20.4 -6.1 49 49 A P > - 0 0 60 0, 0.0 4,-0.5 0, 0.0 47,-0.1 -0.114 16.7-138.6 -69.8 171.2 -15.8 -23.8 -7.4 50 50 A R H > S+ 0 0 73 2,-0.2 4,-2.8 3,-0.1 5,-0.3 0.772 94.8 67.5-100.9 -36.9 -15.4 -27.2 -5.6 51 51 A S H > S+ 0 0 56 1,-0.2 4,-1.0 2,-0.2 8,-0.1 0.860 102.5 50.6 -52.1 -38.3 -14.4 -29.4 -8.5 52 52 A L H >> S+ 0 0 81 2,-0.2 4,-1.2 1,-0.2 3,-0.6 0.960 110.3 46.8 -65.7 -53.1 -11.1 -27.5 -8.7 53 53 A I H >X S+ 0 0 1 -4,-0.5 3,-1.2 1,-0.3 4,-0.6 0.933 108.9 54.6 -54.6 -50.5 -10.2 -27.8 -5.0 54 54 A S H >X>S+ 0 0 1 -4,-2.8 4,-1.2 1,-0.3 5,-1.1 0.808 105.1 56.0 -54.4 -30.5 -11.0 -31.5 -5.0 55 55 A S H <<5S+ 0 0 38 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.800 97.2 61.8 -72.7 -29.5 -8.6 -31.8 -7.9 56 56 A L H <<5S+ 0 0 96 -3,-1.2 -1,-0.2 -4,-1.2 -2,-0.2 0.609 126.1 13.8 -71.8 -11.1 -5.8 -30.2 -5.8 57 57 A V H <<5S+ 0 0 46 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.583 143.3 3.2-124.2 -75.4 -6.2 -33.2 -3.5 58 58 A W T <5S- 0 0 146 -4,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.961 106.8 -81.0 -81.7 -75.3 -8.2 -36.2 -4.8 59 59 A N < - 0 0 74 -5,-1.1 2,-0.3 -8,-0.1 -1,-0.3 -0.972 37.2 -85.9 180.0 174.4 -9.1 -35.4 -8.3 60 60 A M + 0 0 138 -2,-0.3 2,-0.3 -5,-0.2 -8,-0.1 -0.696 45.2 152.1-100.9 153.9 -11.6 -33.6 -10.7 61 61 A N - 0 0 90 -2,-0.3 4,-0.1 2,-0.2 -7,-0.1 -0.960 54.0-111.7-172.7 157.4 -14.9 -34.9 -11.9 62 62 A F S S+ 0 0 194 -2,-0.3 -1,-0.1 2,-0.1 -11,-0.1 0.785 103.4 55.5 -67.4 -27.4 -18.4 -33.8 -13.1 63 63 A D S S- 0 0 103 -3,-0.1 2,-0.5 -12,-0.0 -2,-0.2 -0.162 96.9 -93.0 -93.0-169.9 -19.9 -35.3 -9.9 64 64 A S - 0 0 43 -2,-0.1 2,-2.3 -4,-0.1 -2,-0.1 -0.931 25.4-125.8-114.0 130.8 -19.1 -34.7 -6.2 65 65 A D S > S- 0 0 38 -2,-0.5 3,-2.9 1,-0.2 4,-0.2 -0.471 74.8 -66.7 -73.2 78.4 -16.6 -36.7 -4.2 66 66 A T T 3 S- 0 0 113 -2,-2.3 -1,-0.2 1,-0.3 5,-0.1 0.811 85.3 -76.2 41.5 35.6 -19.0 -37.6 -1.4 67 67 A N T 3> S+ 0 0 91 1,-0.1 4,-1.9 3,-0.1 -1,-0.3 0.863 87.1 153.4 45.6 41.9 -18.9 -33.9 -0.6 68 68 A V H <> + 0 0 35 -3,-2.9 4,-1.6 2,-0.2 -1,-0.1 0.787 65.6 56.8 -69.3 -27.8 -15.5 -34.5 0.9 69 69 A I H > S+ 0 0 6 2,-0.2 4,-1.7 -4,-0.2 5,-0.2 0.977 110.0 40.1 -67.5 -57.8 -14.6 -30.9 0.2 70 70 A D H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.903 119.0 48.1 -58.4 -43.4 -17.4 -29.3 2.1 71 71 A V H X S+ 0 0 72 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.821 107.3 57.2 -67.4 -31.6 -17.1 -31.8 4.9 72 72 A A H X S+ 0 0 7 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.853 109.9 44.0 -67.8 -35.4 -13.3 -31.3 5.0 73 73 A V H X S+ 0 0 6 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.861 117.7 44.1 -77.1 -37.7 -13.8 -27.5 5.7 74 74 A R H X S+ 0 0 112 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.868 115.5 48.0 -74.5 -38.1 -16.6 -28.1 8.3 75 75 A R H < S+ 0 0 139 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.890 116.1 43.3 -69.5 -40.5 -14.7 -30.9 10.0 76 76 A L H >X>S+ 0 0 17 -4,-1.6 4,-0.7 -5,-0.2 5,-0.6 0.839 111.4 55.3 -73.6 -34.3 -11.4 -28.9 10.1 77 77 A R H ><>S+ 0 0 45 -4,-1.7 5,-1.0 1,-0.2 3,-0.7 0.910 110.2 44.3 -64.8 -43.6 -13.2 -25.8 11.2 78 78 A S T 3<5S+ 0 0 64 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.458 101.1 73.9 -80.4 -0.7 -14.8 -27.5 14.2 79 79 A K T <45S- 0 0 139 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.2 0.771 131.9 -25.3 -81.9 -28.1 -11.5 -29.1 14.9 80 80 A I T XX5S+ 0 0 61 -3,-0.7 4,-2.2 -4,-0.7 3,-1.5 0.386 134.0 65.7-151.2 -42.9 -10.0 -25.8 16.2 81 81 A D T 34> - 0 0 75 -2,-0.4 3,-1.3 1,-0.0 2,-0.8 -0.862 26.8-118.6-101.2 120.5 -23.1 -18.4 -2.0 93 93 A R T 34 S+ 0 0 248 -2,-0.6 -1,-0.0 1,-0.3 -2,-0.0 -0.369 104.6 20.1 -57.6 99.7 -26.1 -20.3 -3.4 94 94 A G T 34 S+ 0 0 84 -2,-0.8 -1,-0.3 2,-0.1 -3,-0.0 0.715 119.3 60.3 108.9 31.7 -25.0 -20.7 -7.0 95 95 A A T <4 S- 0 0 55 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.312 89.0-112.7-144.4 -74.6 -21.2 -20.2 -6.8 96 96 A G < - 0 0 18 -4,-0.7 2,-0.3 -47,-0.1 -1,-0.2 -0.608 57.8 -29.1 168.1-101.5 -19.2 -22.6 -4.6 97 97 A Y B +D 48 0B 43 -49,-1.9 -49,-2.0 -2,-0.2 2,-0.3 -0.985 48.9 172.7-153.5 140.1 -17.4 -21.7 -1.4 98 98 A V E -E 90 0C 16 -8,-2.1 -8,-2.1 -2,-0.3 2,-0.4 -0.977 22.7-132.1-146.3 157.6 -15.7 -18.6 0.1 99 99 A L E +E 89 0C 24 -59,-0.3 -54,-0.6 -2,-0.3 2,-0.3 -0.941 42.7 123.3-116.7 133.6 -14.1 -17.5 3.4 100 100 A E - 0 0 63 -12,-3.1 2,-0.3 -2,-0.4 -2,-0.1 -0.969 51.4 -98.4-174.7 164.9 -14.8 -14.2 5.1 101 101 A I - 0 0 19 -2,-0.3 3,-0.2 1,-0.1 -13,-0.1 -0.686 14.6-143.7 -98.0 151.4 -16.0 -12.6 8.3 102 102 A R S S+ 0 0 201 -2,-0.3 -1,-0.1 -15,-0.2 -14,-0.1 0.752 95.2 72.8 -81.9 -26.1 -19.5 -11.3 9.1 103 103 A E 0 0 148 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.838 360.0 360.0 -56.7 -34.1 -18.2 -8.3 11.1 104 104 A E 0 0 174 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.2 0.884 360.0 360.0 -58.4 360.0 -17.1 -6.8 7.8