==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-10 2KVV . COMPND 2 MOLECULE: PUTATIVE EXCISIONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR G.LIU,R.XIAO,K.HAMILTON,T.B.ACTON,B.MAO,J.EVERETT,G.T.MONTEL . 78 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 10.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 . 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 . 13 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 0 224 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.3 6.0 -4.8 2.4 2 2 A A - 0 0 114 1,-0.3 2,-0.3 0, 0.0 0, 0.0 0.935 360.0 -28.0 -80.8 -54.1 5.0 -3.8 6.0 3 3 A Q - 0 0 153 2,-0.1 2,-1.5 0, 0.0 -1,-0.3 -0.894 59.2-111.5-165.9 135.6 7.6 -5.9 7.9 4 4 A I + 0 0 120 -2,-0.3 2,-0.4 -3,-0.1 0, 0.0 -0.530 46.0 177.9 -72.2 90.1 9.6 -9.1 7.2 5 5 A I - 0 0 133 -2,-1.5 2,-0.4 2,-0.0 -2,-0.1 -0.794 14.6-147.9 -97.0 139.6 8.0 -11.4 9.8 6 6 A F - 0 0 149 -2,-0.4 2,-1.3 2,-0.0 -2,-0.0 -0.842 20.2-117.0-109.9 143.5 9.0 -15.1 10.1 7 7 A N + 0 0 117 -2,-0.4 53,-0.0 1,-0.2 -2,-0.0 -0.636 36.7 173.2 -75.7 94.0 6.9 -18.1 11.1 8 8 A E + 0 0 164 -2,-1.3 2,-2.1 1,-0.1 -1,-0.2 0.051 32.1 128.7 -94.2 27.7 8.8 -19.2 14.3 9 9 A E + 0 0 67 2,-0.0 51,-2.1 0, 0.0 2,-0.5 -0.307 31.1 150.4 -78.1 55.1 6.3 -21.9 15.2 10 10 A W E +A 59 0A 99 -2,-2.1 2,-0.3 49,-0.2 49,-0.2 -0.802 16.0 163.6 -89.7 128.0 9.1 -24.4 15.6 11 11 A M E -A 58 0A 16 47,-1.7 47,-3.0 -2,-0.5 -2,-0.0 -0.996 34.3-109.6-148.6 149.1 8.3 -27.2 18.2 12 12 A V > - 0 0 44 -2,-0.3 4,-3.0 45,-0.2 5,-0.2 -0.069 44.9 -90.8 -70.9 176.2 9.5 -30.6 19.2 13 13 A E H > S+ 0 0 75 43,-0.3 4,-2.1 1,-0.2 5,-0.2 0.941 125.0 41.7 -55.3 -57.6 7.6 -34.0 18.6 14 14 A K H > S+ 0 0 152 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.843 117.9 48.4 -63.7 -34.4 5.8 -34.1 22.0 15 15 A A H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.916 109.0 53.7 -69.5 -42.5 5.0 -30.3 21.8 16 16 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.4 0.916 103.9 53.9 -60.1 -47.7 3.8 -30.6 18.2 17 17 A M H X S+ 0 0 36 -4,-2.1 4,-1.9 1,-0.2 5,-0.4 0.843 111.9 46.8 -58.8 -32.6 1.2 -33.4 18.9 18 18 A V H < S+ 0 0 110 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.891 113.8 46.4 -74.4 -41.7 -0.3 -31.1 21.7 19 19 A R H < S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.814 124.8 32.3 -71.3 -31.9 -0.4 -28.0 19.4 20 20 A T H < S- 0 0 29 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.763 105.1-121.0 -95.6 -30.9 -1.9 -29.9 16.5 21 21 A G < + 0 0 65 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.511 69.2 126.1 98.5 8.1 -4.0 -32.4 18.4 22 22 A L - 0 0 26 -5,-0.4 2,-0.3 -6,-0.3 -1,-0.3 -0.304 54.1-120.6 -90.1 174.9 -2.3 -35.5 16.8 23 23 A G > - 0 0 31 -2,-0.1 4,-2.2 -3,-0.1 3,-0.3 -0.831 25.5-107.9-116.2 161.0 -0.6 -38.5 18.4 24 24 A A H > S+ 0 0 42 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.867 118.6 52.3 -52.1 -42.8 3.0 -39.8 18.2 25 25 A R H > S+ 0 0 214 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 110.0 47.4 -62.6 -42.8 1.9 -42.8 16.1 26 26 A Q H > S+ 0 0 86 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.876 113.1 49.2 -68.8 -36.1 0.1 -40.6 13.6 27 27 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.915 110.0 49.6 -69.3 -43.9 3.1 -38.3 13.3 28 28 A E H X S+ 0 0 87 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.896 109.6 52.7 -63.3 -38.9 5.6 -41.1 12.8 29 29 A S H < S+ 0 0 71 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.894 109.5 49.2 -60.4 -40.5 3.3 -42.5 10.1 30 30 A Y H ><>S+ 0 0 50 -4,-1.7 5,-2.4 1,-0.2 3,-1.8 0.844 104.9 57.5 -66.1 -35.0 3.4 -39.1 8.5 31 31 A R H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 100.0 59.0 -68.4 -21.3 7.2 -39.1 8.8 32 32 A Q T 3<5S- 0 0 154 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.221 132.8 -2.4 -84.9 13.5 7.1 -42.2 6.7 33 33 A G T < 5S+ 0 0 57 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.069 133.3 26.4-157.8 -81.9 5.3 -40.1 4.1 34 34 A A T 5S+ 0 0 26 -4,-0.2 2,-0.9 -5,-0.1 -3,-0.2 0.808 93.8 87.8 -79.0 -34.5 4.4 -36.4 4.3 35 35 A W < - 0 0 9 -5,-2.4 2,-0.5 -8,-0.2 -2,-0.1 -0.569 63.0-170.9 -71.5 104.1 7.0 -35.1 6.8 36 36 A I >>> - 0 0 92 -2,-0.9 4,-1.7 -4,-0.1 3,-1.3 -0.850 23.3-121.1-102.0 129.3 10.0 -34.1 4.6 37 37 A E B 345S+b 41 0A 121 -2,-0.5 5,-0.2 1,-0.2 -1,-0.0 -0.445 100.7 19.0 -64.9 132.6 13.4 -33.2 6.2 38 38 A G T 345S+ 0 0 65 3,-2.9 -1,-0.2 -2,-0.2 4,-0.1 0.070 128.8 53.0 92.2 -24.9 14.4 -29.7 5.1 39 39 A V T <45S+ 0 0 79 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.822 121.6 15.4-104.2 -70.5 10.8 -28.8 4.1 40 40 A H T <5S+ 0 0 22 -4,-1.7 19,-2.6 -6,-0.1 2,-0.3 0.615 136.5 4.6 -85.7 -12.7 8.3 -29.5 7.0 41 41 A F E < -bC 37 58A 19 -5,-1.1 -3,-2.9 17,-0.2 2,-0.3 -0.978 62.7-150.2-159.0 169.3 11.1 -29.7 9.6 42 42 A K E - C 0 57A 101 15,-1.5 15,-1.6 -2,-0.3 2,-0.7 -0.899 27.8-100.6-142.0 172.1 14.9 -29.4 10.2 43 43 A R E - C 0 56A 114 -2,-0.3 2,-0.7 13,-0.2 13,-0.2 -0.838 31.2-174.8-105.4 109.8 17.6 -30.9 12.5 44 44 A V E - C 0 55A 60 11,-2.8 11,-1.5 -2,-0.7 -2,-0.0 -0.878 7.9-165.3-107.7 107.9 18.7 -28.8 15.5 45 45 A S - 0 0 30 -2,-0.7 2,-0.2 9,-0.3 9,-0.1 -0.609 32.7-118.1 -89.4 149.8 21.6 -30.2 17.5 46 46 A P S S+ 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.111 100.4 38.7 -70.1 26.0 22.7 -29.0 21.0 47 47 A S S S- 0 0 70 2,-0.2 -2,-0.3 -2,-0.2 4,-0.1 -0.911 90.1-106.3-158.6-179.6 26.0 -28.0 19.3 48 48 A G S S+ 0 0 84 -2,-0.3 2,-0.1 2,-0.1 3,-0.1 0.706 92.3 70.8 -91.1 -21.7 27.4 -26.4 16.1 49 49 A E S S- 0 0 154 1,-0.1 2,-0.6 -3,-0.0 -2,-0.2 -0.225 99.5 -70.0 -92.1 179.0 28.8 -29.6 14.6 50 50 A K + 0 0 201 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.586 61.1 159.2 -74.4 111.8 27.3 -32.8 13.1 51 51 A T > - 0 0 53 -2,-0.6 3,-1.0 -4,-0.1 -4,-0.1 -0.998 43.5-144.6-134.5 142.7 25.6 -34.9 15.8 52 52 A L T 3 S+ 0 0 163 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.532 97.8 75.5 -80.2 -6.4 22.9 -37.6 15.5 53 53 A R T 3 + 0 0 212 2,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.299 67.5 136.7 -82.2 8.7 21.5 -36.3 18.9 54 54 A G < - 0 0 5 -3,-1.0 -9,-0.3 -9,-0.1 2,-0.1 -0.448 55.1-130.4 -66.1 114.1 20.1 -33.4 16.9 55 55 A T E - C 0 44A 65 -11,-1.5 -11,-2.8 -2,-0.5 2,-0.6 -0.388 17.9-128.0 -66.8 135.8 16.5 -32.6 18.1 56 56 A T E - C 0 43A 25 -13,-0.2 2,-0.5 -2,-0.1 -43,-0.3 -0.768 19.3-162.7 -92.7 120.0 13.9 -32.3 15.3 57 57 A W E - C 0 42A 91 -15,-1.6 -15,-1.5 -2,-0.6 -45,-0.2 -0.889 10.6-149.9-103.8 123.7 11.8 -29.1 15.3 58 58 A Y E -AC 11 41A 7 -47,-3.0 -47,-1.7 -2,-0.5 2,-0.7 -0.616 14.8-119.2 -95.1 150.9 8.6 -29.3 13.2 59 59 A N E > -A 10 0A 17 -19,-2.6 4,-2.1 -2,-0.2 -49,-0.2 -0.794 15.3-161.3 -92.4 112.2 6.8 -26.4 11.4 60 60 A Y H > S+ 0 0 62 -51,-2.1 4,-2.9 -2,-0.7 5,-0.3 0.923 91.2 51.5 -56.3 -50.1 3.2 -25.8 12.7 61 61 A P H > S+ 0 0 42 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.892 110.9 49.5 -55.8 -41.6 2.1 -23.7 9.6 62 62 A E H > S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.912 113.7 45.2 -62.0 -45.0 3.4 -26.5 7.3 63 63 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.933 112.0 49.3 -69.1 -47.8 1.6 -29.2 9.2 64 64 A N H X S+ 0 0 49 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.826 109.2 55.8 -59.3 -31.9 -1.7 -27.3 9.5 65 65 A K H < S+ 0 0 108 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.906 110.8 43.7 -65.7 -42.5 -1.4 -26.7 5.8 66 66 A F H >< S+ 0 0 61 -4,-1.7 3,-2.1 1,-0.2 4,-0.5 0.970 113.1 49.4 -64.8 -55.0 -1.2 -30.5 5.2 67 67 A I H >X S+ 0 0 36 -4,-3.0 4,-1.5 1,-0.3 3,-1.3 0.834 96.9 73.3 -53.4 -34.1 -4.0 -31.4 7.6 68 68 A R H 3X S+ 0 0 134 -4,-1.7 4,-3.0 -5,-0.3 -1,-0.3 0.795 85.5 66.1 -50.7 -31.5 -6.1 -28.7 5.8 69 69 A D H <4 S+ 0 0 74 -3,-2.1 5,-0.4 -4,-0.5 -1,-0.3 0.892 102.7 44.7 -59.9 -41.7 -6.3 -31.2 2.9 70 70 A S H <4 S+ 0 0 82 -3,-1.3 3,-0.3 -4,-0.5 -1,-0.2 0.857 113.8 49.5 -72.7 -36.9 -8.4 -33.6 5.1 71 71 A L H < S+ 0 0 115 -4,-1.5 2,-1.9 1,-0.3 -2,-0.2 0.906 104.7 59.8 -65.5 -43.8 -10.6 -30.8 6.4 72 72 A E S < S- 0 0 124 -4,-3.0 -1,-0.3 -5,-0.2 2,-0.1 -0.433 93.3-156.5 -80.0 61.2 -11.1 -29.6 2.8 73 73 A H + 0 0 172 -2,-1.9 2,-0.4 -3,-0.3 -3,-0.1 -0.187 24.5 163.5 -48.4 106.9 -12.7 -33.0 2.0 74 74 A H - 0 0 95 -5,-0.4 2,-1.4 -2,-0.1 3,-0.2 -0.995 46.4-115.6-133.4 131.0 -12.2 -33.4 -1.8 75 75 A H + 0 0 161 -2,-0.4 -2,-0.0 1,-0.2 3,-0.0 -0.438 49.3 157.0 -64.7 90.3 -12.5 -36.7 -3.8 76 76 A H + 0 0 146 -2,-1.4 2,-0.6 1,-0.1 -1,-0.2 0.714 54.6 64.9 -91.5 -25.0 -8.9 -36.9 -5.0 77 77 A H 0 0 136 1,-0.2 -1,-0.1 -3,-0.2 0, 0.0 -0.900 360.0 360.0-107.4 117.5 -8.8 -40.6 -5.7 78 78 A H 0 0 212 -2,-0.6 -1,-0.2 -3,-0.0 -2,-0.0 0.992 360.0 360.0 -76.9 360.0 -11.0 -42.0 -8.5