==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-FEB-04 1VBL . COMPND 2 MOLECULE: PECTATE LYASE 47; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. TS-47; . AUTHOR T.NAKANIWA,T.TADA,A.YAMAGUCHI,T.KITATANI,M.TAKAO,T.SAKAI, . 416 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 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 . 54 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0 0 1 3 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 7 8 5 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 1 1 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 . 3 0 0 0 0 0 1 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 K 0 0 234 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-173.5 46.6 -1.7 33.4 2 2 A E > - 0 0 94 1,-0.1 3,-1.4 3,-0.0 4,-0.4 -0.327 360.0-110.9 -78.6 163.9 43.0 -3.0 33.3 3 3 A L G > S+ 0 0 39 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.856 120.9 58.4 -62.6 -33.9 40.5 -2.3 30.5 4 4 A G G 3 S+ 0 0 0 1,-0.3 -1,-0.3 133,-0.1 20,-0.1 0.637 98.6 61.5 -70.2 -12.8 38.6 -0.2 32.9 5 5 A H G < S+ 0 0 60 -3,-1.4 -1,-0.3 21,-0.1 -2,-0.2 0.592 81.7 104.6 -87.5 -13.5 41.7 1.9 33.4 6 6 A E < - 0 0 72 -3,-1.3 2,-0.2 -4,-0.4 19,-0.1 -0.456 51.6-171.1 -72.7 139.6 41.8 2.9 29.7 7 7 A V - 0 0 62 -2,-0.2 15,-0.2 16,-0.1 2,-0.1 -0.771 32.9 -73.5-126.5 171.7 40.7 6.4 28.8 8 8 A L - 0 0 11 13,-2.0 13,-0.1 -2,-0.2 -1,-0.0 -0.414 56.0-105.5 -66.0 134.6 39.9 8.5 25.7 9 9 A K > - 0 0 71 -2,-0.1 3,-1.6 1,-0.1 12,-0.2 -0.218 36.2-103.3 -58.1 151.6 43.0 9.5 23.7 10 10 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.717 117.3 23.4 -49.7 -30.4 44.0 13.2 24.0 11 11 A Y T 3 S+ 0 0 138 381,-0.1 2,-1.8 6,-0.0 5,-0.1 0.167 83.5 130.4-124.5 18.1 42.5 14.2 20.6 12 12 A D S < S- 0 0 9 -3,-1.6 3,-0.3 381,-0.2 381,-0.2 -0.512 76.6 -57.9 -80.4 84.4 39.9 11.5 20.0 13 13 A G S > S- 0 0 0 -2,-1.8 3,-2.4 379,-1.5 4,-0.2 0.040 84.4 -46.3 75.9 176.4 36.8 13.5 19.1 14 14 A W G > S+ 0 0 27 227,-0.5 3,-1.8 1,-0.3 -1,-0.2 0.750 127.0 69.5 -54.8 -27.8 34.8 16.2 20.8 15 15 A A G 3 S+ 0 0 0 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.620 89.1 65.9 -68.0 -10.6 34.8 14.2 24.1 16 16 A A G < S+ 0 0 5 -3,-2.4 -1,-0.3 4,-0.2 -2,-0.2 0.548 74.5 127.1 -86.3 -7.6 38.6 15.0 24.3 17 17 A Y S X S- 0 0 108 -3,-1.8 3,-2.0 -4,-0.2 2,-0.3 -0.163 78.9 -21.2 -52.1 138.8 37.8 18.7 24.8 18 18 A G T 3 S- 0 0 58 1,-0.3 3,-0.1 3,-0.0 -3,-0.0 -0.436 143.5 -1.1 64.5-120.2 39.4 20.2 27.8 19 19 A E T 3 S- 0 0 189 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.493 102.2-143.5 -81.2 -4.8 40.4 17.6 30.3 20 20 A G < - 0 0 16 -3,-2.0 2,-0.5 -6,-0.1 -1,-0.2 -0.269 30.8 -49.9 76.9-162.9 38.9 14.9 28.1 21 21 A T + 0 0 3 -12,-0.2 -13,-2.0 -13,-0.1 179,-0.1 -0.960 52.2 154.7-121.2 120.7 37.1 11.8 29.2 22 22 A T > - 0 0 47 -2,-0.5 3,-2.3 1,-0.2 -1,-0.1 0.427 26.8-166.9-119.7 -5.9 38.4 9.4 31.8 23 23 A G T 3 - 0 0 3 1,-0.3 3,-0.3 176,-0.2 112,-0.3 -0.255 69.1 -26.4 53.4-131.6 35.2 7.9 33.1 24 24 A G T > S+ 0 0 0 1,-0.2 3,-2.0 35,-0.2 -1,-0.3 0.082 97.6 124.3-102.5 25.1 35.9 6.0 36.3 25 25 A A T < S+ 0 0 16 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.816 71.1 54.2 -52.6 -38.0 39.5 5.3 35.5 26 26 A M T 3 S+ 0 0 163 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.175 82.2 141.0 -85.2 19.4 40.7 7.0 38.8 27 27 A A < - 0 0 12 -3,-2.0 32,-0.2 1,-0.1 5,-0.1 -0.314 56.2-115.4 -65.1 142.7 38.4 4.7 40.8 28 28 A S > - 0 0 55 30,-0.5 3,-3.1 1,-0.1 32,-0.2 -0.442 33.0-106.0 -72.5 151.5 39.7 3.4 44.2 29 29 A P G > S+ 0 0 111 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.772 122.5 58.9 -50.9 -27.2 40.1 -0.4 44.3 30 30 A Q G 3 S+ 0 0 134 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.603 101.5 56.2 -78.6 -10.4 36.9 -0.6 46.4 31 31 A N G < S+ 0 0 42 -3,-3.1 29,-2.2 -7,-0.1 2,-0.6 0.019 82.3 98.3-109.9 26.0 35.0 1.1 43.7 32 32 A V E < -a 60 0A 41 -3,-1.0 2,-0.3 27,-0.2 29,-0.2 -0.970 57.1-176.6-114.0 116.3 35.8 -1.4 40.9 33 33 A F E -a 61 0A 63 27,-3.3 29,-3.1 -2,-0.6 2,-0.5 -0.774 28.4-151.1-118.9 161.8 32.9 -3.9 40.5 34 34 A V E -a 62 0A 90 -2,-0.3 2,-0.4 27,-0.2 29,-0.2 -0.996 26.1-170.5-126.6 118.9 32.0 -7.0 38.6 35 35 A V E +a 63 0A 2 27,-3.1 29,-2.6 -2,-0.5 3,-0.1 -0.900 24.1 174.6-118.7 146.8 28.3 -7.3 38.0 36 36 A T + 0 0 64 -2,-0.4 2,-0.3 27,-0.2 -1,-0.1 0.376 67.7 23.3-126.4 -1.2 26.2 -10.2 36.6 37 37 A N S > S- 0 0 35 30,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.966 86.5 -88.1-157.3 171.9 22.6 -9.0 37.0 38 38 A R H > S+ 0 0 15 30,-0.5 4,-2.6 -2,-0.3 5,-0.2 0.894 120.3 49.8 -52.4 -49.7 20.3 -5.9 37.3 39 39 A T H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 111.6 47.1 -58.6 -49.4 20.6 -5.7 41.1 40 40 A E H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.858 111.8 52.9 -61.4 -34.8 24.4 -5.9 41.2 41 41 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.952 111.4 43.9 -65.7 -49.7 24.5 -3.3 38.5 42 42 A I H <>S+ 0 0 15 -4,-2.6 5,-2.9 1,-0.2 6,-0.4 0.846 114.4 51.3 -64.8 -32.8 22.3 -0.8 40.3 43 43 A Q H ><5S+ 0 0 117 -4,-2.4 3,-1.5 -5,-0.2 -2,-0.2 0.934 108.7 49.9 -69.6 -44.8 24.2 -1.5 43.6 44 44 A A H 3<5S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.849 109.7 53.3 -61.6 -33.2 27.6 -0.9 41.9 45 45 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.517 142.0 -64.0 -80.5 -5.4 26.2 2.3 40.5 46 46 A G T < 5 - 0 0 44 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.204 65.0 -92.4 148.0 -26.9 25.1 3.5 44.0 47 47 A G S - 0 0 87 -6,-0.4 4,-1.8 1,-0.1 -5,-0.0 -0.870 69.4-146.8-149.2 110.1 19.3 3.2 44.3 49 49 A N T 4 S+ 0 0 19 -2,-0.3 4,-0.4 1,-0.2 3,-0.3 0.863 96.2 44.7 -42.5 -56.2 18.5 3.6 40.6 50 50 A H T >4 S+ 0 0 101 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.963 120.0 38.0 -59.4 -54.6 16.9 7.0 40.7 51 51 A T G >4 S+ 0 0 70 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 0.578 93.5 88.2 -75.1 -8.2 19.5 8.7 43.0 52 52 A N G >< S+ 0 0 2 -4,-1.8 3,-1.8 -3,-0.3 -1,-0.2 0.771 74.2 71.9 -59.8 -24.5 22.4 6.9 41.3 53 53 A Q G < S+ 0 0 18 -3,-1.1 79,-0.4 -4,-0.4 -1,-0.3 0.734 95.7 52.2 -63.4 -20.9 22.5 9.8 38.8 54 54 A Y G < S+ 0 0 163 -3,-2.0 2,-1.1 77,-0.1 -1,-0.3 0.391 81.3 105.3 -96.0 1.9 23.9 11.9 41.6 55 55 A N < + 0 0 38 -3,-1.8 76,-0.1 -10,-0.2 -1,-0.0 -0.714 36.5 165.8 -87.5 98.2 26.7 9.5 42.4 56 56 A S + 0 0 64 -2,-1.1 -1,-0.2 75,-0.2 3,-0.1 0.215 27.2 130.9 -96.8 14.0 29.8 11.1 41.0 57 57 A V S S- 0 0 65 1,-0.1 74,-0.1 -30,-0.0 -30,-0.1 -0.519 72.6-101.9 -69.7 128.7 32.3 8.9 42.8 58 58 A P + 0 0 50 0, 0.0 -30,-0.5 0, 0.0 2,-0.3 -0.284 58.9 166.4 -51.5 125.1 34.9 7.5 40.4 59 59 A K E - b 0 134A 3 74,-2.0 76,-2.0 -32,-0.2 2,-0.5 -0.999 32.4-152.4-150.7 143.9 33.8 3.9 39.7 60 60 A I E -ab 32 135A 0 -29,-2.2 -27,-3.3 -2,-0.3 2,-0.5 -0.965 13.8-169.3-116.8 129.3 34.5 1.1 37.3 61 61 A I E -ab 33 136A 0 74,-3.2 76,-2.6 -2,-0.5 2,-0.5 -0.953 5.8-158.9-125.5 113.0 31.8 -1.5 36.6 62 62 A Y E -ab 34 137A 27 -29,-3.1 -27,-3.1 -2,-0.5 2,-0.7 -0.794 10.0-147.4 -92.6 125.1 32.6 -4.6 34.6 63 63 A V E -ab 35 138A 0 74,-2.4 76,-3.0 -2,-0.5 2,-0.5 -0.830 15.6-169.0 -94.8 114.4 29.7 -6.3 33.0 64 64 A K - 0 0 124 -29,-2.6 79,-0.1 -2,-0.7 2,-0.1 -0.913 51.2 -24.7-108.8 124.6 30.1 -10.1 32.9 65 65 A G S S- 0 0 23 -2,-0.5 79,-2.6 74,-0.4 2,-0.5 -0.370 107.5 -24.9 78.8-159.1 27.7 -12.3 30.9 66 66 A T E -j 144 0B 72 77,-0.2 2,-0.6 -30,-0.1 79,-0.2 -0.806 53.7-164.9 -97.0 127.2 24.2 -11.3 29.9 67 67 A I E -j 145 0B 1 77,-2.9 79,-2.3 -2,-0.5 2,-0.6 -0.941 3.4-162.2-114.3 110.7 22.4 -8.8 32.1 68 68 A D E -j 146 0B 48 -2,-0.6 -30,-0.5 77,-0.2 79,-0.2 -0.830 5.0-169.3 -92.0 120.7 18.6 -8.6 31.5 69 69 A L S S+ 0 0 0 77,-3.1 2,-1.3 -2,-0.6 78,-0.2 0.564 72.7 83.6 -86.6 -10.1 17.2 -5.4 32.9 70 70 A N S S+ 0 0 11 76,-0.3 8,-2.1 78,-0.1 2,-0.3 -0.435 74.3 105.5 -90.5 59.0 13.6 -6.6 32.4 71 71 A V B -S 77 0C 6 -2,-1.3 4,-0.1 6,-0.3 8,-0.0 -0.938 68.7-110.9-136.8 158.6 13.6 -8.5 35.7 72 72 A D > - 0 0 35 4,-3.0 3,-2.2 -2,-0.3 -33,-0.2 -0.081 50.8 -82.7 -78.1-174.9 12.2 -8.1 39.2 73 73 A D T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.2 -34,-0.0 0.614 133.0 56.6 -67.0 -10.9 14.1 -7.4 42.4 74 74 A N T 3 S- 0 0 131 2,-0.2 -1,-0.3 -35,-0.0 -2,-0.1 0.185 120.8-112.5-101.2 13.7 14.9 -11.2 42.6 75 75 A N S < S+ 0 0 44 -3,-2.2 -2,-0.2 1,-0.2 -7,-0.1 0.695 71.0 142.6 63.0 23.3 16.4 -10.9 39.1 76 76 A Q - 0 0 113 1,-0.1 -4,-3.0 0, 0.0 -1,-0.2 -0.771 59.1-100.6 -94.4 137.6 13.6 -13.0 37.7 77 77 A P B -S 71 0C 92 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.247 39.6-160.1 -57.5 139.0 12.3 -12.1 34.2 78 78 A V - 0 0 18 -8,-2.1 -8,-0.0 -6,-0.0 0, 0.0 -0.882 2.5-151.0-121.5 153.9 9.0 -10.2 34.1 79 79 A G >> - 0 0 20 -2,-0.3 3,-1.5 92,-0.0 4,-0.9 -0.494 44.2 -80.5-111.9-175.7 6.5 -9.7 31.3 80 80 A P H 3> S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.807 124.1 68.1 -57.3 -27.6 4.0 -6.9 30.5 81 81 A D H 34 S+ 0 0 126 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.846 94.8 56.5 -60.2 -33.6 1.7 -8.3 33.1 82 82 A F H <4 S+ 0 0 65 -3,-1.5 -1,-0.2 1,-0.2 -4,-0.0 0.872 116.6 34.6 -65.3 -38.2 4.1 -7.3 35.8 83 83 A Y H < S+ 0 0 3 -4,-0.9 -2,-0.2 -3,-0.4 38,-0.2 0.712 89.4 119.5 -90.1 -23.3 4.0 -3.6 34.6 84 84 A K < - 0 0 91 -4,-2.4 31,-0.1 1,-0.1 -3,-0.0 -0.188 61.8-128.8 -54.8 125.6 0.4 -3.4 33.5 85 85 A D > - 0 0 21 29,-0.4 3,-2.1 1,-0.1 -1,-0.1 -0.425 22.1-118.5 -69.3 146.5 -1.8 -0.9 35.3 86 86 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.773 115.7 50.8 -58.1 -26.4 -5.1 -2.3 36.7 87 87 A H T 3 S+ 0 0 127 27,-0.1 2,-0.4 23,-0.1 27,-0.2 0.287 95.3 92.5 -96.0 8.8 -7.0 0.1 34.4 88 88 A F < + 0 0 10 -3,-2.1 2,-0.3 26,-0.2 23,-0.1 -0.877 40.8 166.5-110.7 139.5 -5.1 -0.9 31.2 89 89 A D > - 0 0 73 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.938 28.7-145.4-148.1 120.7 -6.0 -3.5 28.7 90 90 A F H > S+ 0 0 63 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.919 101.1 48.2 -52.7 -52.9 -4.3 -3.7 25.3 91 91 A E H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 112.7 49.1 -56.6 -43.6 -7.4 -4.9 23.4 92 92 A A H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 110.4 51.4 -64.5 -35.7 -9.5 -2.2 25.0 93 93 A Y H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 110.1 49.4 -67.4 -41.0 -6.8 0.4 24.1 94 94 A L H X S+ 0 0 32 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.919 113.4 45.7 -63.2 -44.9 -6.9 -0.9 20.5 95 95 A R H < S+ 0 0 162 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.874 115.5 47.7 -66.5 -38.1 -10.7 -0.6 20.3 96 96 A E H < S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.897 121.8 29.1 -71.8 -42.7 -10.7 2.8 21.9 97 97 A Y H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.355 75.4 137.9-106.5 6.9 -8.0 4.6 19.9 98 98 A D >X> - 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