==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, SIGNALING PROTEIN 27-FEB-09 3GG1 . COMPND 2 MOLECULE: KLEBSIELLA PNEUMONIAE BLRP1; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR T.BARENDS,E.HARTMANN,J.GRIESE,T.BEITLICH,N.KIRIENKO,D.RYJENK . 786 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 53 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 2 3 4 0 0 3 0 2 4 1 2 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 6 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 PARALLEL BRIDGES PER LADDER . 2 3 1 0 0 2 2 0 4 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 . 2 0 0 0 2 0 0 0 2 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 0 129 0, 0.0 54,-0.6 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0 120.2 -34.1 32.8 -17.1 2 2 A L E -A 54 0A 36 80,-0.3 80,-2.2 52,-0.1 2,-0.3 -0.312 360.0-177.7 -70.8 141.0 -31.8 31.5 -19.9 3 3 A T E -AB 53 81A 6 50,-2.3 50,-2.2 78,-0.3 2,-0.4 -0.940 17.6-141.0-136.1 152.0 -30.8 27.8 -19.9 4 4 A T E -AB 52 80A 4 76,-3.4 76,-2.0 -2,-0.3 2,-0.4 -0.979 15.6-174.8-119.4 130.8 -28.5 25.7 -22.2 5 5 A L E +AB 51 79A 0 46,-3.2 46,-2.7 -2,-0.4 2,-0.4 -0.988 4.0 178.9-127.8 124.3 -29.3 22.1 -23.2 6 6 A I E +AB 50 78A 0 72,-2.7 71,-2.8 -2,-0.4 72,-1.7 -0.973 6.8 161.0-125.4 137.8 -26.9 19.9 -25.2 7 7 A Y E -AB 49 76A 9 42,-1.6 42,-2.3 -2,-0.4 2,-0.3 -0.974 24.3-144.5-145.1 160.1 -27.3 16.3 -26.3 8 8 A R E +AB 48 75A 29 67,-2.4 67,-3.2 -2,-0.3 2,-0.2 -0.929 25.6 163.5-119.3 152.5 -25.9 13.8 -28.9 9 9 A S E -A 47 0A 0 38,-1.9 38,-1.7 -2,-0.3 2,-0.3 -0.853 24.4-123.9-150.6-175.4 -27.8 11.1 -30.7 10 10 A Q E -AB 46 72A 9 62,-2.5 62,-2.8 36,-0.3 36,-0.2 -0.987 16.4-120.8-140.6 149.2 -27.7 8.8 -33.7 11 11 A V - 0 0 25 34,-2.6 60,-0.2 -2,-0.3 59,-0.1 -0.354 38.5-100.4 -74.6 164.0 -29.7 8.0 -36.8 12 12 A H > - 0 0 29 58,-0.5 3,-1.0 4,-0.2 -1,-0.1 -0.829 34.8-159.7 -82.8 109.1 -31.1 4.5 -37.6 13 13 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.760 86.5 52.5 -69.1 -24.9 -28.4 3.4 -40.1 14 14 A D T 3 S+ 0 0 127 -3,-0.1 -2,-0.0 2,-0.1 -3,-0.0 0.652 99.6 78.8 -80.1 -18.1 -30.7 0.7 -41.7 15 15 A R S < S- 0 0 132 -3,-1.0 3,-0.1 1,-0.1 -4,-0.0 -0.470 95.9 -80.2 -95.5 161.7 -33.6 3.1 -42.4 16 16 A P - 0 0 112 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.243 59.2 -93.4 -57.7 146.7 -34.0 5.7 -45.2 17 17 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 53,-0.0 -0.293 39.1-118.0 -64.6 146.7 -32.1 9.0 -44.7 18 18 A V - 0 0 47 52,-0.1 2,-1.3 -3,-0.1 3,-0.1 -0.604 21.0-116.8 -84.2 142.6 -33.9 11.9 -43.0 19 19 A D > - 0 0 107 -2,-0.3 4,-1.9 1,-0.2 3,-0.1 -0.691 36.3-179.4 -77.9 95.6 -34.5 15.1 -44.9 20 20 A L H > S+ 0 0 25 -2,-1.3 4,-2.6 1,-0.2 5,-0.2 0.766 73.4 61.4 -74.2 -27.2 -32.4 17.3 -42.6 21 21 A D H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 109.4 42.0 -64.1 -43.8 -33.0 20.6 -44.6 22 22 A A H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 114.5 51.3 -67.4 -45.5 -36.8 20.3 -43.9 23 23 A L H X S+ 0 0 35 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.921 114.1 43.8 -56.5 -47.7 -36.3 19.2 -40.3 24 24 A V H X S+ 0 0 16 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.868 112.4 51.9 -68.0 -40.0 -34.0 22.2 -39.7 25 25 A H H X S+ 0 0 142 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.901 113.6 44.1 -64.0 -42.8 -36.2 24.7 -41.5 26 26 A R H X S+ 0 0 194 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.900 115.2 50.1 -66.5 -42.1 -39.2 23.5 -39.5 27 27 A A H X S+ 0 0 21 -4,-2.4 4,-3.5 -5,-0.2 5,-0.2 0.946 111.1 46.9 -60.4 -52.4 -37.1 23.6 -36.3 28 28 A S H X S+ 0 0 37 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.900 113.9 48.8 -57.7 -43.8 -35.8 27.1 -36.9 29 29 A S H < S+ 0 0 81 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.842 117.7 40.4 -66.7 -36.8 -39.3 28.4 -37.7 30 30 A K H X S+ 0 0 101 -4,-2.1 4,-0.9 -5,-0.1 -2,-0.2 0.893 114.8 52.3 -77.7 -41.6 -40.8 26.8 -34.6 31 31 A N H <>S+ 0 0 4 -4,-3.5 5,-2.5 -5,-0.2 3,-0.4 0.886 100.0 59.0 -62.6 -45.0 -37.9 27.7 -32.2 32 32 A L T ><5S+ 0 0 92 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.882 103.4 48.6 -64.5 -46.2 -37.5 31.4 -32.8 33 33 A P T 345S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.849 111.7 53.4 -55.8 -34.3 -41.1 32.5 -31.8 34 34 A L T 3<5S- 0 0 103 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.1 0.394 121.3-109.2 -82.2 2.3 -40.6 30.4 -28.6 35 35 A G T < 5S+ 0 0 32 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.851 73.8 139.4 70.3 34.9 -37.3 32.2 -27.8 36 36 A I < + 0 0 1 -5,-2.5 2,-0.3 17,-0.1 -1,-0.3 -0.932 23.0 169.0-112.8 135.5 -35.3 29.1 -28.6 37 37 A T E +C 52 0A 4 15,-1.9 15,-2.9 -2,-0.4 2,-0.3 -0.908 14.5 103.8-136.6 166.6 -32.0 29.2 -30.5 38 38 A G E -C 51 0A 0 52,-1.8 2,-0.3 49,-0.4 13,-0.2 -0.953 47.4 -91.8 154.3-170.3 -29.1 26.8 -31.3 39 39 A I E -C 50 0A 0 11,-0.7 11,-2.4 -2,-0.3 2,-0.4 -0.923 16.0-140.0-138.0 161.9 -27.3 24.7 -33.8 40 40 A L E -Cd 49 94A 5 53,-3.4 55,-3.1 -2,-0.3 2,-0.4 -0.992 12.4-160.5-126.5 126.8 -27.3 21.1 -35.1 41 41 A L E -Cd 48 95A 0 7,-3.3 7,-1.6 -2,-0.4 2,-0.4 -0.883 8.2-172.5-105.8 138.6 -24.1 19.2 -36.0 42 42 A F E +Cd 47 96A 17 53,-2.3 55,-2.6 -2,-0.4 56,-0.5 -0.996 18.2 176.4-134.5 127.0 -24.2 16.1 -38.3 43 43 A N - 0 0 44 3,-1.7 4,-0.1 -2,-0.4 53,-0.1 0.207 65.4 -93.1-110.8 12.5 -21.3 13.7 -39.1 44 44 A G S S+ 0 0 18 2,-0.3 3,-0.1 1,-0.1 52,-0.0 -0.117 121.2 37.0 101.2 -33.9 -23.3 11.2 -41.2 45 45 A L S S+ 0 0 101 1,-0.2 -34,-2.6 -35,-0.1 2,-0.3 0.745 114.4 40.8-112.7 -47.7 -24.0 9.0 -38.2 46 46 A Q E -A 10 0A 5 -36,-0.2 -3,-1.7 25,-0.1 -2,-0.3 -0.787 60.5-144.0-115.0 150.9 -24.6 11.2 -35.1 47 47 A F E -AC 9 42A 14 -38,-1.7 -38,-1.9 -2,-0.3 2,-0.3 -0.760 8.8-169.2-101.5 155.7 -26.4 14.4 -34.3 48 48 A F E -AC 8 41A 2 -7,-1.6 -7,-3.3 -2,-0.3 2,-0.4 -0.917 13.5-174.3-144.3 115.8 -25.1 17.0 -31.8 49 49 A Q E -AC 7 40A 12 -42,-2.3 -42,-1.6 -2,-0.3 2,-0.5 -0.943 16.3-160.6-122.9 136.1 -27.5 19.8 -30.9 50 50 A V E -AC 6 39A 0 -11,-2.4 -11,-0.7 -2,-0.4 2,-0.4 -0.948 14.6-171.6-108.7 130.2 -27.2 22.9 -28.7 51 51 A L E -AC 5 38A 0 -46,-2.7 -46,-3.2 -2,-0.5 2,-0.4 -0.989 4.3-171.0-126.7 131.9 -30.5 24.4 -27.4 52 52 A E E +AC 4 37A 0 -15,-2.9 -15,-1.9 -2,-0.4 2,-0.3 -0.968 36.5 83.5-122.9 136.0 -30.8 27.8 -25.7 53 53 A G E S-A 3 0A 0 -50,-2.2 -50,-2.3 -2,-0.4 -17,-0.1 -0.970 75.5 -32.2 163.1-170.5 -33.9 29.1 -24.0 54 54 A T E > -A 2 0A 54 -2,-0.3 4,-2.3 -52,-0.2 5,-0.3 -0.241 56.9-111.8 -69.5 162.4 -36.0 29.0 -20.8 55 55 A E H > S+ 0 0 92 -54,-0.6 4,-1.9 1,-0.2 5,-0.1 0.908 119.0 48.9 -60.2 -42.2 -36.0 25.9 -18.6 56 56 A E H > S+ 0 0 143 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 111.3 48.0 -62.2 -49.1 -39.7 25.4 -19.5 57 57 A A H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.919 114.9 43.8 -63.1 -46.6 -39.2 25.8 -23.2 58 58 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.831 111.6 54.9 -69.1 -33.8 -36.2 23.4 -23.5 59 59 A E H X S+ 0 0 93 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.958 112.7 42.6 -59.9 -52.0 -38.0 20.9 -21.2 60 60 A S H X S+ 0 0 72 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.912 117.9 45.2 -61.4 -47.1 -41.0 20.8 -23.5 61 61 A L H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 111.6 51.2 -65.2 -45.3 -38.9 20.8 -26.7 62 62 A F H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.826 104.2 58.6 -64.8 -32.8 -36.5 18.1 -25.5 63 63 A S H X S+ 0 0 49 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.912 109.4 44.4 -59.8 -44.2 -39.4 15.8 -24.5 64 64 A E H X S+ 0 0 102 -4,-1.3 4,-0.6 2,-0.2 3,-0.4 0.942 113.5 50.1 -63.7 -48.6 -40.6 15.9 -28.1 65 65 A I H >< S+ 0 0 21 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.870 107.6 54.2 -59.2 -40.2 -37.1 15.4 -29.4 66 66 A Q H 3< S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 110.4 46.8 -61.7 -34.9 -36.6 12.4 -27.1 67 67 A S H 3< S+ 0 0 99 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.496 85.5 118.5 -84.1 -5.3 -39.7 10.8 -28.5 68 68 A D X< - 0 0 37 -3,-0.9 3,-1.2 -4,-0.6 -3,-0.0 -0.481 54.0-155.5 -73.1 120.2 -38.7 11.4 -32.1 69 69 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -57,-0.1 0.557 81.7 83.5 -72.1 -6.6 -38.3 8.2 -34.1 70 70 A R T 3 S+ 0 0 112 -59,-0.1 -58,-0.5 -53,-0.0 2,-0.3 0.650 103.6 19.6 -68.0 -16.8 -35.9 9.9 -36.6 71 71 A H < - 0 0 17 -3,-1.2 2,-0.3 -60,-0.2 -60,-0.2 -0.903 65.8-164.1-145.2 174.1 -33.1 9.2 -34.1 72 72 A R E +B 10 0A 41 -62,-2.8 -62,-2.5 -2,-0.3 3,-0.2 -0.902 60.3 52.8-151.1 176.3 -32.0 7.1 -31.2 73 73 A D E - 0 0 29 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.931 65.6-170.0 53.1 51.7 -29.5 6.8 -28.3 74 74 A V E - 0 0 17 -8,-0.1 2,-0.5 -65,-0.1 -65,-0.2 -0.659 4.0-174.1 -76.5 113.1 -30.3 10.4 -27.1 75 75 A V E -B 8 0A 1 -67,-3.2 -67,-2.4 -2,-0.7 2,-0.3 -0.952 19.1-138.1-116.2 117.0 -27.6 11.2 -24.5 76 76 A E E +Be 7 330A 57 253,-2.4 255,-2.9 -2,-0.5 256,-0.5 -0.583 23.9 174.8 -73.1 129.1 -27.8 14.5 -22.6 77 77 A L E + 0 0 10 -71,-2.8 2,-0.3 1,-0.4 -70,-0.2 0.709 62.7 9.5-106.7 -31.3 -24.4 16.1 -22.3 78 78 A M E +B 6 0A 22 -72,-1.7 -72,-2.7 2,-0.0 -1,-0.4 -0.986 47.1 169.1-153.8 139.5 -25.1 19.4 -20.6 79 79 A R E +B 5 0A 73 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.772 33.5 130.2-150.1 106.8 -28.0 21.2 -18.9 80 80 A D E -B 4 0A 25 -76,-2.0 -76,-3.4 -2,-0.2 2,-0.1 -0.958 57.9 -84.8-152.2 163.3 -27.2 24.4 -17.1 81 81 A Y E -B 3 0A 60 -2,-0.3 2,-0.3 -78,-0.2 -78,-0.3 -0.433 45.2-145.4 -72.1 150.4 -28.1 28.1 -16.6 82 82 A S - 0 0 8 -80,-2.2 -80,-0.3 -29,-0.1 3,-0.1 -0.916 20.3-152.6-125.6 146.3 -26.6 30.5 -19.1 83 83 A A S S- 0 0 38 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.792 82.4 -3.6 -82.8 -32.1 -25.4 34.1 -18.8 84 84 A Y S S- 0 0 100 30,-0.0 2,-0.4 602,-0.0 -1,-0.3 -0.990 77.8 -89.5-158.2 163.1 -26.1 34.9 -22.5 85 85 A R - 0 0 63 -2,-0.3 3,-0.4 1,-0.2 -47,-0.0 -0.638 26.5-170.6 -78.4 123.0 -27.3 33.5 -25.9 86 86 A R S S+ 0 0 25 -2,-0.4 28,-4.1 1,-0.2 -1,-0.2 0.759 87.3 41.5 -80.7 -29.1 -24.4 32.0 -28.0 87 87 A F S > S+ 0 0 2 26,-0.2 3,-1.5 3,-0.1 -49,-0.4 -0.384 80.4 174.3-119.1 53.4 -26.6 31.6 -31.1 88 88 A H T 3 + 0 0 125 -3,-0.4 3,-0.1 1,-0.3 -51,-0.0 -0.345 68.7 16.9 -61.9 133.9 -28.6 34.8 -31.0 89 89 A G T 3 S+ 0 0 57 1,-0.1 2,-0.4 -57,-0.1 -1,-0.3 0.630 101.4 105.3 77.2 14.5 -30.8 35.3 -34.1 90 90 A T < - 0 0 21 -3,-1.5 -52,-1.8 1,-0.2 3,-0.2 -0.868 43.7-177.0-130.2 100.0 -30.6 31.6 -35.1 91 91 A G S S- 0 0 1 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.974 77.3 -28.0 -53.4 -60.0 -33.7 29.5 -34.4 92 92 A M + 0 0 7 -55,-0.1 2,-0.3 -68,-0.1 -1,-0.3 -0.967 64.2 179.6-157.8 151.6 -31.9 26.4 -35.7 93 93 A R - 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