==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-NOV-06 2O04 . COMPND 2 MOLECULE: PECTATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.W.PICKERSGILL,A.SEYEDARABI . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.0 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 0.3 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 0.3 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 . 50 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 3 0 0 0 2 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 9 5 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 2 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 . 2 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 A 0 0 106 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 153.4 17.2 11.2 32.8 2 2 A D >> - 0 0 77 1,-0.1 4,-1.6 4,-0.0 3,-0.7 -0.224 360.0 -91.6 -77.7 177.0 16.4 13.0 29.5 3 3 A L T 34 S+ 0 0 18 396,-0.3 -1,-0.1 1,-0.2 131,-0.0 0.836 126.4 57.3 -61.8 -33.1 15.5 11.2 26.3 4 4 A G T 34 S+ 0 0 0 1,-0.2 -1,-0.2 51,-0.1 20,-0.2 0.842 115.9 34.8 -63.5 -33.7 19.2 11.2 25.3 5 5 A H T <4 S+ 0 0 73 -3,-0.7 -2,-0.2 21,-0.1 -1,-0.2 0.554 91.4 107.8-103.9 -10.8 20.2 9.4 28.4 6 6 A Q < - 0 0 67 -4,-1.6 2,-0.3 1,-0.0 19,-0.1 -0.338 53.0-151.1 -68.2 149.6 17.3 7.1 29.1 7 7 A T - 0 0 63 16,-0.1 2,-0.3 17,-0.1 15,-0.2 -0.758 31.2 -86.2-113.5 163.2 17.7 3.3 28.6 8 8 A L - 0 0 9 13,-2.6 13,-0.3 -2,-0.3 5,-0.0 -0.568 57.1-102.4 -66.6 130.8 15.1 0.7 27.6 9 9 A G > - 0 0 30 -2,-0.3 3,-2.0 1,-0.1 12,-0.1 -0.208 27.0-115.1 -55.6 145.9 13.4 -0.6 30.8 10 10 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.570 116.7 36.3 -64.5 -11.1 14.7 -4.0 32.0 11 11 A N T 3 S+ 0 0 79 364,-0.1 2,-1.7 1,-0.0 -1,-0.3 0.269 85.6 115.8-116.8 6.1 11.2 -5.5 31.4 12 12 A D S < S- 0 0 26 -3,-2.0 3,-0.4 364,-0.2 364,-0.2 -0.471 82.4 -70.3 -90.7 72.8 10.3 -3.6 28.2 13 13 A G S > S- 0 0 0 -2,-1.7 3,-2.1 362,-0.3 223,-0.2 -0.070 79.9 -41.4 80.0-177.6 10.1 -6.2 25.5 14 14 A W G > S+ 0 0 31 221,-0.5 3,-1.7 1,-0.3 222,-0.2 0.732 125.1 72.0 -60.3 -26.1 12.7 -8.4 23.7 15 15 A G G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.719 91.1 60.5 -59.8 -21.3 15.1 -5.4 23.5 16 16 A A G < S+ 0 0 13 -3,-2.1 -1,-0.3 4,-0.2 -2,-0.2 0.455 79.6 122.0 -87.6 -2.6 15.7 -5.8 27.2 17 17 A Y S X S- 0 0 105 -3,-1.7 3,-2.7 -4,-0.2 2,-0.1 -0.264 80.5 -28.2 -63.3 148.5 17.0 -9.4 26.9 18 18 A S T 3 S+ 0 0 82 1,-0.3 -3,-0.0 2,-0.0 216,-0.0 -0.229 142.7 8.3 47.5-113.3 20.5 -10.3 28.1 19 19 A T T 3 S- 0 0 108 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.634 103.6-155.2 -72.2 -14.8 22.7 -7.1 28.0 20 20 A G < - 0 0 10 -3,-2.7 2,-0.6 -6,-0.1 -4,-0.2 -0.074 25.5 -59.6 71.2-169.6 19.6 -5.1 27.1 21 21 A T + 0 0 3 -13,-0.3 -13,-2.6 1,-0.1 -1,-0.1 -0.900 60.1 144.6-122.1 103.1 19.4 -1.8 25.2 22 22 A T > - 0 0 37 -2,-0.6 3,-2.2 -15,-0.2 -1,-0.1 0.462 31.1-171.3-112.5 -8.8 21.2 1.1 26.8 23 23 A G T 3 - 0 0 3 1,-0.3 3,-0.3 170,-0.2 107,-0.2 -0.225 66.4 -27.9 51.2-129.5 22.3 2.8 23.5 24 24 A G T > S+ 0 0 0 30,-0.2 3,-2.5 -20,-0.2 -1,-0.3 0.039 94.5 126.8-104.0 25.2 24.8 5.7 24.1 25 25 A S T < S+ 0 0 21 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.780 73.1 54.0 -53.3 -31.3 23.5 6.5 27.6 26 26 A K T 3 S+ 0 0 156 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.243 80.8 146.2 -89.9 13.3 27.0 6.1 29.0 27 27 A A < - 0 0 17 -3,-2.5 27,-0.2 4,-0.1 2,-0.1 -0.179 44.7-131.9 -51.7 134.1 28.4 8.7 26.5 28 28 A S > - 0 0 65 25,-0.5 3,-1.9 1,-0.1 -1,-0.1 -0.367 36.1 -90.4 -79.4 170.3 31.3 10.8 27.7 29 29 A S G > S+ 0 0 117 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.847 124.3 53.2 -52.8 -43.6 31.2 14.6 27.2 30 30 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 24,-0.0 -3,-0.0 0.526 103.6 59.6 -74.2 -6.0 32.9 14.6 23.8 31 31 A N G < S+ 0 0 21 -3,-1.9 24,-2.2 22,-0.1 2,-0.5 0.074 79.1 97.4-113.4 23.4 30.5 12.0 22.4 32 32 A V E < -a 55 0A 54 -3,-1.2 2,-0.3 22,-0.2 24,-0.2 -0.969 55.8-177.5-111.1 121.2 27.3 14.0 22.8 33 33 A Y E -a 56 0A 68 22,-3.1 24,-3.1 -2,-0.5 2,-0.4 -0.869 25.8-154.3-122.4 149.4 26.3 15.7 19.5 34 34 A T E -a 57 0A 89 -2,-0.3 2,-0.4 22,-0.2 24,-0.2 -0.997 24.7-173.5-120.8 124.2 23.6 18.1 18.3 35 35 A V E +a 58 0A 3 22,-2.9 24,-3.1 -2,-0.4 3,-0.1 -0.929 25.4 168.6-126.4 141.7 22.9 17.8 14.6 36 36 A S + 0 0 56 -2,-0.4 2,-0.3 22,-0.2 25,-0.1 0.303 68.0 32.0-134.2 5.3 20.7 19.8 12.2 37 37 A N S > S- 0 0 33 25,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.962 87.0 -94.3-155.2 171.6 21.8 18.7 8.7 38 38 A R H > S+ 0 0 17 25,-0.4 4,-2.9 -2,-0.3 5,-0.3 0.892 119.6 53.9 -58.3 -44.8 23.1 15.6 6.8 39 39 A N H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.938 111.7 43.9 -54.9 -50.8 26.8 16.7 7.2 40 40 A Q H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 114.1 50.6 -64.3 -40.0 26.5 17.0 11.0 41 41 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.948 112.4 45.6 -61.7 -49.8 24.6 13.7 11.3 42 42 A V H X S+ 0 0 54 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.896 113.1 51.2 -62.9 -41.6 27.1 11.8 9.2 43 43 A S H < S+ 0 0 96 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.920 111.7 47.1 -59.6 -45.7 30.0 13.4 11.1 44 44 A A H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 113.7 47.3 -63.8 -42.4 28.4 12.4 14.5 45 45 A L H < S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 85.8 172.7 -66.9 -42.7 27.7 8.8 13.4 46 46 A G < - 0 0 41 -4,-2.3 78,-0.1 -5,-0.2 -1,-0.1 -0.291 42.2 -40.1 63.7-151.9 31.2 8.2 11.9 47 47 A K > - 0 0 167 -4,-0.1 3,-2.0 78,-0.1 0, 0.0 -0.294 66.2 -85.6-101.3-175.8 32.0 4.7 10.8 48 48 A E T 3 S+ 0 0 117 1,-0.3 79,-0.4 -2,-0.1 -1,-0.0 0.775 124.6 65.7 -64.4 -24.6 31.4 1.2 12.1 49 49 A T T 3 S+ 0 0 125 1,-0.2 2,-1.9 77,-0.1 -1,-0.3 0.525 74.3 95.8 -73.4 -7.7 34.5 1.6 14.3 50 50 A N < + 0 0 30 -3,-2.0 -1,-0.2 1,-0.2 4,-0.1 -0.513 43.8 141.5 -83.6 70.9 32.7 4.4 16.2 51 51 A T + 0 0 74 -2,-1.9 -1,-0.2 75,-0.1 3,-0.1 0.456 25.5 115.5 -96.9 -4.5 31.5 2.1 19.0 52 52 A T S S- 0 0 70 -3,-0.2 -25,-0.1 1,-0.1 -28,-0.0 -0.426 86.2 -87.3 -61.5 141.8 32.0 4.4 22.0 53 53 A P + 0 0 40 0, 0.0 -25,-0.5 0, 0.0 2,-0.3 -0.295 61.2 178.3 -48.5 125.3 28.7 5.3 23.7 54 54 A K E - b 0 129A 0 74,-2.0 76,-2.4 -27,-0.2 2,-0.4 -0.985 24.0-153.7-137.5 147.4 27.3 8.3 21.8 55 55 A I E -ab 32 130A 0 -24,-2.2 -22,-3.1 -2,-0.3 2,-0.5 -0.988 9.9-168.1-121.9 129.2 24.2 10.5 22.0 56 56 A I E -ab 33 131A 0 74,-3.1 76,-2.6 -2,-0.4 2,-0.6 -0.946 4.1-161.8-122.4 110.5 22.9 12.3 19.0 57 57 A Y E -ab 34 132A 29 -24,-3.1 -22,-2.9 -2,-0.5 2,-0.6 -0.810 12.8-145.8 -89.4 123.5 20.2 15.0 19.4 58 58 A I E -ab 35 133A 0 74,-3.2 76,-2.9 -2,-0.6 2,-0.6 -0.821 12.0-164.1 -91.0 123.6 18.4 15.8 16.2 59 59 A K - 0 0 141 -24,-3.1 76,-0.1 -2,-0.6 2,-0.1 -0.937 52.3 -36.9-112.5 114.2 17.4 19.5 15.9 60 60 A G S S- 0 0 18 -2,-0.6 79,-2.5 74,-0.5 2,-0.5 -0.364 105.1 -13.9 76.1-151.6 14.8 20.3 13.3 61 61 A T E -j 139 0B 76 77,-0.2 2,-0.6 -25,-0.1 79,-0.2 -0.758 51.0-165.1 -96.7 126.2 14.6 18.8 9.8 62 62 A I E -j 140 0B 0 77,-2.6 79,-2.9 -2,-0.5 2,-0.6 -0.927 6.5-162.2-111.6 107.1 17.4 16.7 8.3 63 63 A D E -j 141 0B 59 -2,-0.6 -25,-0.4 77,-0.2 79,-0.2 -0.792 4.2-167.4 -87.6 121.8 17.0 16.2 4.5 64 64 A M S S+ 0 0 0 77,-2.9 2,-1.7 -2,-0.6 78,-0.2 0.664 72.0 81.7 -86.9 -18.7 19.1 13.3 3.4 65 65 A N S S+ 0 0 6 76,-0.4 8,-2.8 56,-0.1 2,-0.3 -0.504 74.8 106.1 -84.4 66.7 18.8 14.0 -0.4 66 66 A V B -S 72 0C 8 -2,-1.7 2,-0.0 6,-0.3 0, 0.0 -0.976 65.2-122.1-142.1 153.6 21.5 16.7 -0.3 67 67 A D > - 0 0 44 4,-2.1 3,-2.1 -2,-0.3 -28,-0.2 -0.128 50.8 -80.5 -83.0-172.7 25.1 17.0 -1.5 68 68 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.1 -29,-0.0 0.635 134.1 53.0 -70.3 -11.8 28.1 17.9 0.7 69 69 A N T 3 S- 0 0 127 2,-0.1 -1,-0.3 -30,-0.0 -2,-0.0 0.217 119.8-111.2-100.5 10.6 27.1 21.6 0.5 70 70 A L < + 0 0 68 -3,-2.1 -2,-0.1 1,-0.2 -7,-0.1 0.639 67.0 150.0 67.5 18.6 23.6 20.7 1.6 71 71 A K - 0 0 133 1,-0.1 -4,-2.1 0, 0.0 -1,-0.2 -0.680 54.4-103.8 -79.9 132.0 22.1 21.5 -1.8 72 72 A P B -S 66 0C 101 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.248 34.2-151.8 -58.6 141.9 19.0 19.4 -2.5 73 73 A L + 0 0 29 -8,-2.8 2,-0.2 -6,-0.1 -8,-0.0 -0.944 18.6 170.4-118.1 137.8 19.4 16.5 -4.9 74 74 A G >> - 0 0 18 -2,-0.4 4,-1.5 5,-0.0 3,-1.0 -0.528 51.8 -60.0-127.6-163.2 16.6 15.1 -7.2 75 75 A L H 3> S+ 0 0 60 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.881 128.4 48.9 -50.9 -51.8 16.2 12.6 -10.1 76 76 A N H 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.699 109.0 53.9 -69.1 -19.9 18.4 14.4 -12.6 77 77 A D H <4 S+ 0 0 104 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.819 117.2 36.2 -77.7 -34.0 21.3 14.7 -10.0 78 78 A Y H < S+ 0 0 7 -4,-1.5 38,-0.2 -3,-0.4 -2,-0.2 0.705 91.9 115.3 -89.3 -24.1 21.2 10.9 -9.3 79 79 A K < - 0 0 60 -4,-2.1 31,-0.1 -5,-0.2 -5,-0.0 -0.202 66.8-125.9 -59.3 130.2 20.5 9.7 -12.8 80 80 A D > - 0 0 19 29,-0.4 3,-2.0 1,-0.1 -1,-0.1 -0.535 28.2-116.1 -64.9 138.8 23.1 7.6 -14.7 81 81 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.743 115.7 49.9 -50.3 -27.1 23.8 9.3 -18.1 82 82 A E T 3 S+ 0 0 111 27,-0.1 2,-0.3 23,-0.1 27,-0.2 0.506 90.4 99.4 -91.8 -8.7 22.4 6.2 -19.8 83 83 A Y < + 0 0 2 -3,-2.0 2,-0.3 26,-0.2 23,-0.1 -0.654 40.0 165.3 -85.3 135.5 19.1 6.0 -17.8 84 84 A D > - 0 0 68 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.917 31.2-146.3-147.8 122.0 15.9 7.4 -19.3 85 85 A L H > S+ 0 0 43 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.887 100.7 53.0 -55.9 -45.0 12.5 6.6 -17.8 86 86 A D H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 113.9 42.8 -55.5 -44.5 10.7 6.7 -21.2 87 87 A K H > S+ 0 0 128 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.856 111.9 54.0 -73.6 -35.9 13.2 4.2 -22.6 88 88 A Y H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.949 111.5 45.6 -57.4 -50.5 13.1 2.1 -19.4 89 89 A L H X S+ 0 0 31 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.897 114.6 47.8 -60.5 -42.9 9.3 1.9 -19.8 90 90 A K H < S+ 0 0 154 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 0.890 111.1 51.7 -64.5 -41.7 9.6 1.1 -23.5 91 91 A A H < S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.875 118.9 33.2 -63.7 -39.0 12.2 -1.6 -22.9 92 92 A Y H < S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.281 75.3 138.5-113.2 11.8 10.3 -3.5 -20.3 93 93 A D >X> - 0 0 62 -4,-0.7 4,-3.4 -3,-0.4 3,-2.4 -0.405 55.6-135.1 -54.2 117.3 6.6 -3.1 -21.4 94 94 A P H 3>5S+ 0 0 50 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.792 102.4 68.8 -46.9 -31.6 5.1 -6.6 -20.8 95 95 A S H 345S+ 0 0 100 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.752 121.6 11.3 -59.8 -30.2 3.4 -6.1 -24.3 96 96 A T H <45S+ 0 0 105 -3,-2.4 -1,-0.2 2,-0.1 -4,-0.1 0.648 135.2 44.0-119.4 -31.9 6.8 -6.4 -26.0 97 97 A W H ><5S- 0 0 46 -4,-3.4 3,-0.7 1,-0.2 -2,-0.1 0.722 89.7-159.0 -86.8 -27.2 9.2 -7.6 -23.3 98 98 A G T 3<< - 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