==== 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 HYDROLASE 17-OCT-06 2E11 . COMPND 2 MOLECULE: HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR K.-H.CHIN,Y.-D.TSAI,N.-L.CHAN,K.-F.HUANG,A.H.-J.WANG,S.-H.CH . 1060 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 758 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 199 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 0.2 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 . 88 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 3 0 0 0 0 0 4 0 4 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 8 0 4 4 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 . 4 0 16 0 8 0 4 1 3 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 . 6 0 0 0 0 1 3 0 0 0 2 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 0 127 0, 0.0 134,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 177.3 13.0 103.9 -9.9 2 2 A H - 0 0 156 132,-0.6 2,-0.1 1,-0.1 0, 0.0 -0.427 360.0 -87.4 -84.0 172.8 13.8 107.6 -9.3 3 3 A D - 0 0 79 -2,-0.1 2,-0.5 239,-0.1 239,-0.2 -0.380 41.6-127.9 -78.6 162.5 17.0 108.8 -7.7 4 4 A L E -A 241 0A 0 237,-1.8 237,-2.7 -3,-0.1 2,-0.5 -0.964 7.4-147.5-117.8 129.0 17.1 109.1 -3.9 5 5 A R E -A 240 0A 76 -2,-0.5 32,-2.2 235,-0.2 33,-1.3 -0.820 20.9-170.6 -93.3 125.3 18.2 112.1 -1.9 6 6 A I E -Ab 239 38A 0 233,-3.2 233,-2.6 -2,-0.5 2,-0.5 -0.955 10.0-158.9-120.4 131.9 19.8 111.1 1.4 7 7 A S E -Ab 238 39A 0 31,-3.4 33,-2.8 -2,-0.4 2,-0.5 -0.944 6.3-153.2-111.1 129.1 20.7 113.5 4.3 8 8 A L E -Ab 237 40A 0 229,-2.7 229,-1.5 -2,-0.5 2,-0.7 -0.877 5.8-162.5 -95.6 125.4 23.4 112.4 6.8 9 9 A V E -A 236 0A 0 31,-2.4 2,-1.2 -2,-0.5 227,-0.2 -0.806 7.5-175.6-113.9 89.4 22.8 114.1 10.2 10 10 A Q E +A 235 0A 0 225,-2.7 225,-2.2 -2,-0.7 2,-0.2 -0.712 20.2 168.9 -91.2 92.5 26.1 113.8 12.0 11 11 A G - 0 0 0 -2,-1.2 193,-2.0 223,-0.2 2,-0.9 -0.578 45.1-120.2-105.2 164.7 25.3 115.3 15.4 12 12 A S - 0 0 30 191,-0.2 193,-0.1 -2,-0.2 194,-0.1 -0.805 41.2-139.1-100.3 88.4 26.9 115.5 18.9 13 13 A T - 0 0 5 -2,-0.9 2,-0.3 191,-0.3 33,-0.1 -0.192 14.1-120.5 -53.9 128.5 24.2 113.7 20.9 14 14 A R > - 0 0 98 31,-0.3 3,-1.0 3,-0.2 2,-0.3 -0.539 34.4-106.3 -69.7 135.2 23.6 115.4 24.2 15 15 A W T 3 S- 0 0 78 1,-0.3 33,-0.2 -2,-0.3 -1,-0.1 -0.465 87.8 -20.2 -71.0 126.7 24.2 113.0 27.1 16 16 A H T 3 S+ 0 0 75 31,-2.7 -1,-0.3 -2,-0.3 31,-0.2 0.830 103.7 120.1 50.7 40.6 21.0 111.7 28.8 17 17 A D <> + 0 0 72 -3,-1.0 4,-2.7 29,-0.6 5,-0.2 -0.582 28.6 167.9-138.2 74.5 18.9 114.6 27.5 18 18 A P H > S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.916 83.6 46.3 -54.4 -48.2 16.0 113.5 25.3 19 19 A A H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.928 113.4 49.8 -62.4 -43.9 14.3 116.9 25.3 20 20 A G H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 112.2 48.5 -58.9 -41.3 17.6 118.7 24.5 21 21 A N H X S+ 0 0 0 -4,-2.7 4,-3.0 25,-0.3 5,-0.5 0.854 106.7 54.3 -71.7 -34.8 18.3 116.2 21.6 22 22 A R H X S+ 0 0 41 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.934 114.5 42.7 -63.4 -41.7 14.9 116.6 20.1 23 23 A D H X S+ 0 0 124 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.935 117.5 46.1 -64.1 -47.8 15.5 120.4 20.1 24 24 A Y H X S+ 0 0 23 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.950 118.6 39.2 -64.3 -54.2 19.1 120.0 18.8 25 25 A Y H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.866 113.1 58.0 -66.1 -34.3 18.4 117.4 16.1 26 26 A G H X S+ 0 0 6 -4,-1.9 4,-1.6 -5,-0.5 -2,-0.2 0.925 106.5 48.5 -58.1 -44.9 15.2 119.3 15.2 27 27 A A H < S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 110.3 50.9 -63.8 -39.4 17.2 122.4 14.6 28 28 A L H < S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.856 113.3 46.9 -65.4 -32.2 19.7 120.5 12.4 29 29 A L H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 4,-0.3 0.732 88.6 86.0 -80.4 -27.2 16.7 119.0 10.4 30 30 A E G >< S+ 0 0 116 -4,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.837 87.1 49.5 -49.4 -46.9 14.8 122.3 9.8 31 31 A P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.625 98.1 71.2 -72.3 -8.7 16.6 123.4 6.7 32 32 A L G X> + 0 0 10 -3,-2.1 3,-2.5 -4,-0.1 4,-0.6 0.467 64.6 130.8 -82.6 -4.5 16.2 120.0 5.0 33 33 A A T <4 S- 0 0 43 -3,-1.3 43,-0.2 1,-0.3 42,-0.2 -0.322 85.3 -0.6 -59.6 127.0 12.4 120.4 4.5 34 34 A G T 34 S+ 0 0 53 41,-2.7 -1,-0.3 2,-0.2 42,-0.1 0.361 118.1 87.4 77.8 -3.2 11.6 119.6 0.8 35 35 A Q T <4 S+ 0 0 119 -3,-2.5 2,-0.3 40,-0.2 -2,-0.2 0.443 83.6 43.7-107.4 -4.1 15.2 118.9 0.1 36 36 A S < - 0 0 0 -4,-0.6 -2,-0.2 39,-0.4 -30,-0.2 -0.958 46.4-160.2-144.9 154.6 15.6 115.2 1.0 37 37 A D S S+ 0 0 7 -32,-2.2 41,-2.7 1,-0.3 2,-0.3 0.581 90.2 26.5-103.4 -20.4 13.9 111.8 0.8 38 38 A L E -bc 6 78A 0 -33,-1.3 -31,-3.4 39,-0.2 2,-0.5 -0.906 63.3-167.8-152.8 116.7 15.7 110.1 3.7 39 39 A V E -bc 7 79A 0 39,-3.0 41,-2.4 -2,-0.3 2,-0.5 -0.928 13.1-157.5-112.0 123.4 17.2 111.8 6.7 40 40 A I E -bc 8 80A 0 -33,-2.8 -31,-2.4 -2,-0.5 41,-0.2 -0.925 9.5-174.5-113.7 124.2 19.5 109.6 8.8 41 41 A L - 0 0 0 39,-3.0 160,-0.2 -2,-0.5 -31,-0.1 -0.626 32.5 -88.7-104.6 165.3 20.2 110.2 12.5 42 42 A P > - 0 0 0 0, 0.0 40,-1.3 0, 0.0 3,-0.6 -0.172 49.3 -85.6 -66.4 167.0 22.7 108.4 14.8 43 43 A E T 3 S+ 0 0 1 130,-0.4 130,-0.1 158,-0.3 6,-0.1 -0.405 112.0 6.9 -62.0 148.5 21.9 105.4 17.0 44 44 A T T 3> S+ 0 0 0 1,-0.1 4,-2.1 -2,-0.1 3,-0.4 0.873 80.3 171.1 39.3 57.7 20.4 106.2 20.4 45 45 A F T <4 + 0 0 0 37,-1.8 -31,-0.3 -3,-0.6 -1,-0.1 0.520 65.5 51.6 -81.8 -2.4 20.1 109.9 19.4 46 46 A T T 4 S+ 0 0 2 36,-0.3 -29,-0.6 2,-0.1 -25,-0.3 0.678 127.9 12.4-101.8 -23.9 18.0 111.0 22.4 47 47 A S T 4 S- 0 0 17 -3,-0.4 -31,-2.7 -31,-0.2 -2,-0.2 0.566 100.5-118.7-124.3 -16.9 20.1 109.6 25.3 48 48 A G < - 0 0 0 -4,-2.1 2,-1.1 -33,-0.2 -1,-0.1 -0.224 56.5 -49.6 85.5 167.6 23.4 108.6 23.8 49 49 A F S S+ 0 0 23 -6,-0.1 2,-0.4 -2,-0.1 160,-0.1 -0.645 87.4 147.8 -80.4 101.4 24.7 105.1 24.0 50 50 A S - 0 0 5 -2,-1.1 3,-0.2 1,-0.1 4,-0.2 -0.995 50.9-154.7-147.2 130.0 24.2 104.4 27.6 51 51 A N S > S+ 0 0 45 -2,-0.4 3,-1.4 1,-0.2 4,-0.2 0.848 101.1 58.1 -71.2 -36.0 23.3 101.4 29.8 52 52 A E G > S+ 0 0 150 1,-0.3 3,-1.3 2,-0.1 4,-0.3 0.764 89.3 75.3 -64.8 -21.4 21.8 103.7 32.5 53 53 A A G > S+ 0 0 7 1,-0.2 3,-1.2 -3,-0.2 4,-0.5 0.679 76.6 79.8 -63.5 -17.6 19.4 105.1 29.9 54 54 A I G X S+ 0 0 10 -3,-1.4 3,-1.0 1,-0.2 -1,-0.2 0.864 85.4 56.4 -58.3 -38.0 17.4 101.8 30.2 55 55 A D G < S+ 0 0 114 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.644 115.5 36.2 -78.7 -10.0 15.7 102.9 33.4 56 56 A K G < S+ 0 0 195 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.248 85.3 144.8-117.3 7.6 14.2 106.1 31.9 57 57 A A < - 0 0 20 -3,-1.0 28,-0.2 -4,-0.5 -3,-0.1 -0.136 45.4-128.9 -51.4 136.4 13.6 104.6 28.4 58 58 A E E -d 85 0A 30 26,-0.7 28,-3.2 1,-0.1 2,-0.2 -0.251 18.3-133.1 -74.2 170.5 10.5 105.9 26.6 59 59 A D E > -d 86 0A 76 26,-0.2 3,-1.9 32,-0.1 6,-0.4 -0.598 36.9 -84.5-115.8-174.3 7.8 103.7 25.1 60 60 A M T 3 S+ 0 0 56 26,-0.5 27,-0.1 1,-0.3 -2,-0.0 0.695 128.4 55.7 -67.5 -18.3 6.0 103.7 21.7 61 61 A D T 3 S+ 0 0 155 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.305 92.8 111.5 -92.0 8.3 3.5 106.3 23.1 62 62 A G S <> S- 0 0 12 -3,-1.9 4,-1.8 1,-0.1 5,-0.1 -0.113 83.1 -99.6 -86.0 175.0 6.3 108.6 24.1 63 63 A P H > S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.791 115.3 56.0 -65.9 -31.1 7.5 112.1 22.9 64 64 A T H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 107.1 47.7 -72.3 -41.8 10.4 110.8 20.7 65 65 A V H > S+ 0 0 8 -6,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.945 115.2 47.8 -60.3 -42.9 8.2 108.5 18.6 66 66 A A H X S+ 0 0 48 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.912 111.1 52.2 -61.8 -41.4 5.8 111.5 18.2 67 67 A W H X S+ 0 0 28 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.901 107.0 49.9 -63.3 -44.7 8.8 113.8 17.4 68 68 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.906 112.0 49.1 -65.5 -36.6 10.2 111.5 14.6 69 69 A R H X S+ 0 0 141 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.948 111.5 49.6 -61.9 -48.7 6.7 111.3 13.0 70 70 A T H X S+ 0 0 81 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.904 110.8 50.0 -55.6 -46.9 6.4 115.1 13.3 71 71 A Q H X S+ 0 0 6 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.905 108.3 52.0 -61.3 -44.3 9.8 115.5 11.7 72 72 A A H X>S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-1.1 0.935 114.6 43.4 -59.5 -44.7 9.0 113.1 8.7 73 73 A A H <5S+ 0 0 70 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.924 114.4 50.1 -63.3 -44.1 5.8 115.1 8.1 74 74 A R H <5S+ 0 0 123 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 120.2 35.2 -65.0 -38.8 7.6 118.5 8.5 75 75 A L H <5S- 0 0 2 -4,-2.8 -41,-2.7 2,-0.2 -39,-0.4 0.725 97.3-129.8 -89.0 -25.4 10.4 117.6 6.1 76 76 A G T <5S+ 0 0 37 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.806 74.2 106.9 75.8 30.7 8.6 115.4 3.5 77 77 A A S - E 0 90A 35 3,-3.3 3,-1.2 -2,-0.4 -28,-0.0 -0.744 57.4 -87.8-128.0-176.3 7.9 97.4 25.4 88 88 A E T 3 S+ 0 0 186 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.751 127.9 52.4 -57.0 -27.9 6.1 94.5 27.2 89 89 A H T 3 S- 0 0 149 1,-0.3 2,-0.3 34,-0.0 -1,-0.2 0.407 123.7 -82.6 -97.7 0.8 8.9 92.3 26.0 90 90 A G E < -E 87 0A 24 -3,-1.2 -3,-3.3 33,-0.1 2,-0.6 -0.846 60.3 -49.1 132.2-166.4 11.8 94.5 27.3 91 91 A V E -E 86 0A 4 30,-0.4 32,-2.9 -2,-0.3 -5,-0.2 -0.943 56.8-169.6-114.6 118.8 13.8 97.5 26.3 92 92 A F E -Ef 85 123A 16 -7,-2.7 -7,-2.8 -2,-0.6 2,-1.0 -0.607 34.7-120.3-103.9 158.3 15.2 97.4 22.8 93 93 A N E -E 84 0A 0 30,-0.5 16,-3.0 16,-0.2 2,-0.6 -0.886 51.5-165.4 -92.3 96.9 17.6 99.5 20.8 94 94 A R E -EG 83 108A 11 -11,-2.6 -11,-2.0 -2,-1.0 2,-0.5 -0.817 20.9-151.0-106.0 116.6 14.9 100.3 18.4 95 95 A L E -EG 82 107A 0 12,-3.4 12,-2.2 -2,-0.6 2,-0.4 -0.711 19.4-150.3 -78.9 128.0 15.5 101.8 15.0 96 96 A L E -EG 81 106A 1 -15,-3.0 -15,-1.1 -2,-0.5 2,-0.5 -0.864 10.9-165.7-101.7 138.2 12.5 103.9 14.0 97 97 A W E +EG 80 105A 2 8,-3.2 8,-2.8 -2,-0.4 2,-0.5 -0.934 14.1 178.6-123.5 102.4 11.5 104.3 10.3 98 98 A A E -EG 79 104A 1 -19,-2.4 -19,-2.5 -2,-0.5 6,-0.2 -0.912 7.4-165.9-109.8 128.0 9.0 107.2 9.9 99 99 A T > - 0 0 8 4,-2.6 3,-2.1 -2,-0.5 4,-0.3 -0.873 29.4-123.8-114.2 149.7 7.6 108.2 6.5 100 100 A P T 3 S+ 0 0 43 0, 0.0 -22,-0.1 0, 0.0 -1,-0.1 0.524 107.8 73.1 -70.1 -7.6 5.7 111.4 5.7 101 101 A D T 3 S- 0 0 110 2,-0.1 -23,-0.0 -25,-0.0 -28,-0.0 0.401 123.0-104.2 -79.9 -1.8 2.9 109.3 4.3 102 102 A G S < S+ 0 0 54 -3,-2.1 2,-0.3 1,-0.3 -33,-0.0 0.540 77.1 135.0 93.3 10.5 2.2 108.6 8.0 103 103 A A - 0 0 40 -4,-0.3 -4,-2.6 -34,-0.0 2,-0.4 -0.629 34.7-163.5 -90.7 146.7 3.6 105.1 8.2 104 104 A L E +G 98 0A 55 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.992 12.9 169.2-130.5 125.7 5.9 104.0 11.1 105 105 A Q E -G 97 0A 72 -8,-2.8 -8,-3.2 -2,-0.4 2,-0.3 -0.859 10.6-163.7-126.4 164.5 8.1 100.9 11.0 106 106 A Y E -G 96 0A 111 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.981 15.3-156.1-149.0 163.4 10.8 99.7 13.3 107 107 A Y E -G 95 0A 5 -12,-2.2 -12,-3.4 -2,-0.3 2,-0.6 -0.972 17.6-142.1-141.5 122.2 13.7 97.3 13.7 108 108 A D E -G 94 0A 23 -2,-0.4 -14,-0.2 -14,-0.2 18,-0.2 -0.783 37.8-102.8 -85.0 123.2 15.0 96.1 17.0 109 109 A K - 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