==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-DEC-11 3VMV . COMPND 2 MOLECULE: PECTATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS; . AUTHOR Y.ZHENG,C.H.HUANG,W.LIU,T.P.KO,Y.XUE,C.ZHOU,G.ZHANG,R.T.GUO, . 324 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 39 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 9 4 8 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 1 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 3 A G 0 0 96 0, 0.0 12,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-174.8 -30.2 25.2 8.1 2 4 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.365 360.0-131.1 -76.3 150.8 -28.7 23.9 11.3 3 5 A Q S > S+ 0 0 56 -2,-0.1 3,-0.6 192,-0.1 190,-0.1 -0.561 70.6 10.6 -77.0 158.9 -30.1 23.7 14.7 4 6 A G G > S- 0 0 1 297,-0.6 3,-2.1 -2,-0.2 4,-0.4 -0.293 119.8 -4.4 80.8-151.4 -28.0 24.9 17.6 5 7 A Y G > S+ 0 0 3 158,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.808 122.6 61.4 -64.2 -31.2 -24.8 26.9 17.7 6 8 A A G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.695 98.2 62.9 -67.0 -13.6 -24.1 27.0 13.9 7 9 A S G < S+ 0 0 55 -3,-2.1 3,-0.3 4,-0.2 -1,-0.3 0.614 96.2 73.8 -81.2 -14.7 -27.4 28.9 13.6 8 10 A M S X S+ 0 0 53 -3,-1.7 3,-2.0 -4,-0.4 292,-0.0 -0.242 76.9 46.4 -88.6-179.5 -26.0 31.7 15.7 9 11 A N T 3 S- 0 0 94 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.837 143.6 -40.3 55.0 36.8 -23.4 34.4 14.8 10 12 A G T 3 S- 0 0 85 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.270 99.5-100.3 98.1 -13.9 -25.2 35.0 11.5 11 13 A G < - 0 0 22 -3,-2.0 2,-0.5 -6,-0.2 -4,-0.2 -0.133 33.8 -85.4 92.6 175.1 -26.1 31.4 10.6 12 14 A T + 0 0 7 -10,-0.1 -1,-0.1 1,-0.1 118,-0.1 -0.970 47.3 149.5-131.4 116.1 -24.7 28.8 8.3 13 15 A T > - 0 0 89 -2,-0.5 3,-1.9 1,-0.2 -1,-0.1 0.391 32.0-166.4-119.2 -5.4 -25.6 28.6 4.6 14 16 A G T 3 - 0 0 0 1,-0.2 66,-0.3 115,-0.2 -1,-0.2 -0.278 65.8 -14.7 57.5-130.0 -22.3 27.2 3.2 15 17 A G T > S+ 0 0 0 30,-0.2 3,-0.8 89,-0.1 -1,-0.2 0.243 93.8 138.9 -92.7 11.2 -22.0 27.4 -0.5 16 18 A A T < + 0 0 59 -3,-1.9 3,-0.1 1,-0.2 -3,-0.1 -0.300 62.3 23.0 -61.8 137.4 -25.6 28.1 -1.2 17 19 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.2 27,-0.1 2,-0.1 0.764 110.3 66.6 84.6 26.8 -26.4 30.6 -3.9 18 20 A G S < S- 0 0 36 -3,-0.8 -1,-0.2 1,-0.2 28,-0.2 -0.359 91.6 -18.1-138.8-134.3 -23.3 30.6 -5.9 19 21 A R E -a 46 0A 155 26,-2.2 28,-2.7 -2,-0.1 2,-0.4 -0.473 49.4-149.8 -83.3 152.7 -21.4 28.2 -8.2 20 22 A V E +a 47 0A 81 26,-0.2 2,-0.3 -2,-0.1 28,-0.2 -0.992 17.8 174.1-123.4 131.4 -22.0 24.4 -8.3 21 23 A E E -a 48 0A 82 26,-2.5 28,-3.2 -2,-0.4 2,-0.5 -0.961 21.8-142.8-131.3 152.3 -19.3 21.9 -9.2 22 24 A Y E -a 49 0A 125 -2,-0.3 2,-0.4 26,-0.2 28,-0.2 -0.972 23.1-178.8-114.2 131.3 -19.1 18.2 -9.3 23 25 A A E +a 50 0A 0 26,-2.7 28,-2.0 -2,-0.5 29,-0.4 -0.961 23.3 176.0-131.9 145.5 -15.9 16.5 -8.2 24 26 A S S S+ 0 0 50 -2,-0.4 2,-0.3 26,-0.2 29,-0.1 0.295 70.1 50.2-130.0 7.8 -14.9 12.9 -8.0 25 27 A T S > S- 0 0 41 29,-0.1 4,-2.1 1,-0.1 29,-0.2 -0.972 79.4-119.7-140.0 159.1 -11.2 13.2 -7.0 26 28 A G H > S+ 0 0 0 -2,-0.3 4,-3.4 29,-0.3 33,-0.3 0.857 113.9 61.1 -65.0 -33.3 -9.3 15.1 -4.4 27 29 A A H > S+ 0 0 28 31,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.928 105.5 46.7 -58.6 -42.6 -7.4 16.9 -7.1 28 30 A Q H > S+ 0 0 78 30,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.942 114.7 46.7 -65.5 -45.1 -10.7 18.3 -8.4 29 31 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.950 114.3 46.1 -60.7 -49.6 -11.8 19.4 -5.0 30 32 A Q H X S+ 0 0 2 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.908 113.4 49.9 -62.8 -40.3 -8.5 20.9 -4.0 31 33 A Q H X S+ 0 0 108 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.894 107.9 53.2 -64.8 -40.5 -8.2 22.8 -7.4 32 34 A L H X S+ 0 0 33 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.938 113.0 44.4 -58.7 -44.5 -11.7 24.1 -7.0 33 35 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.937 118.6 41.7 -63.5 -49.1 -10.8 25.5 -3.6 34 36 A D H X S+ 0 0 30 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.903 113.1 52.3 -71.8 -41.0 -7.5 27.0 -4.6 35 37 A N H X S+ 0 0 94 -4,-3.1 4,-0.5 -5,-0.2 -1,-0.2 0.915 111.9 46.9 -61.3 -42.8 -8.6 28.4 -7.9 36 38 A R H >< S+ 0 0 19 -4,-2.0 3,-1.4 -5,-0.3 5,-0.3 0.927 108.6 55.3 -63.1 -41.7 -11.5 30.2 -6.2 37 39 A S H 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 110.8 45.2 -61.1 -31.1 -9.1 31.5 -3.5 38 40 A R H 3< S+ 0 0 146 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.481 98.6 98.6 -90.0 -6.1 -6.9 33.0 -6.2 39 41 A S S << S- 0 0 47 -3,-1.4 -3,-0.1 -4,-0.5 -4,-0.0 -0.139 90.0-104.3 -78.1 176.8 -9.8 34.5 -8.2 40 42 A N S S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.541 120.4 42.0 -74.7 -6.8 -11.2 38.0 -8.2 41 43 A N > + 0 0 88 -5,-0.3 3,-1.6 1,-0.1 -1,-0.3 -0.539 66.9 163.7-141.2 64.5 -14.1 36.8 -6.1 42 44 A P T 3 S+ 0 0 46 0, 0.0 35,-0.3 0, 0.0 -1,-0.1 0.693 75.9 49.8 -66.8 -19.2 -12.7 34.4 -3.5 43 45 A D T 3 S+ 0 0 55 33,-0.1 3,-0.1 2,-0.1 -6,-0.1 0.332 73.4 131.2-100.9 5.3 -15.7 34.4 -1.2 44 46 A E S < S- 0 0 47 -3,-1.6 -26,-0.1 -8,-0.2 33,-0.1 -0.413 72.9-101.3 -56.0 125.4 -18.3 33.6 -4.0 45 47 A P - 0 0 35 0, 0.0 -26,-2.2 0, 0.0 2,-0.4 -0.207 44.4-168.3 -56.8 140.5 -20.3 30.7 -2.5 46 48 A L E -ab 19 79A 8 32,-2.1 34,-2.2 -28,-0.2 2,-0.5 -0.996 13.6-164.5-136.4 123.5 -19.3 27.3 -3.9 47 49 A T E -ab 20 80A 13 -28,-2.7 -26,-2.5 -2,-0.4 2,-0.6 -0.958 8.1-164.2-106.0 125.5 -21.1 24.0 -3.6 48 50 A I E -ab 21 81A 0 32,-3.1 34,-2.5 -2,-0.5 2,-0.5 -0.958 5.2-156.8-110.0 108.9 -19.0 21.0 -4.5 49 51 A Y E -ab 22 82A 57 -28,-3.2 -26,-2.7 -2,-0.6 2,-0.7 -0.788 11.8-145.7 -82.0 126.9 -21.0 17.8 -5.0 50 52 A V E +ab 23 83A 0 32,-2.5 34,-2.5 -2,-0.5 -26,-0.2 -0.835 29.3 163.4-102.8 114.7 -18.9 14.8 -4.5 51 53 A N + 0 0 71 -28,-2.0 2,-0.3 -2,-0.7 -27,-0.2 -0.057 57.2 44.7-124.2 33.6 -19.8 11.9 -6.8 52 54 A G S S- 0 0 16 -29,-0.4 37,-0.9 37,-0.1 2,-0.6 -0.945 93.4 -77.7-159.5 177.0 -16.8 9.7 -6.6 53 55 A T E -j 89 0B 54 -2,-0.3 2,-0.3 35,-0.1 37,-0.2 -0.762 39.6-151.1 -91.9 115.6 -14.3 8.2 -4.1 54 56 A I E +j 90 0B 0 35,-3.2 37,-2.4 -2,-0.6 2,-0.3 -0.700 27.7 164.7 -84.2 134.9 -11.7 10.6 -2.9 55 57 A T E -j 91 0B 41 -2,-0.3 3,-0.4 35,-0.2 4,-0.4 -0.907 53.9-100.9-144.2 169.6 -8.4 9.0 -1.9 56 58 A Q S > S+ 0 0 42 35,-0.6 3,-1.3 -2,-0.3 -1,-0.1 0.919 120.8 56.9 -58.5 -43.9 -4.8 9.6 -1.2 57 59 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.784 112.5 38.7 -62.4 -28.6 -4.0 8.4 -4.7 58 60 A N T 3 S+ 0 0 43 -3,-0.4 -31,-2.5 -5,-0.1 -30,-0.3 0.275 104.6 80.5-108.4 15.1 -6.2 10.9 -6.4 59 61 A S < - 0 0 16 -3,-1.3 -32,-0.1 -4,-0.4 5,-0.1 -0.908 68.8-142.1-121.4 145.5 -5.5 13.9 -4.1 60 62 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.642 85.8 38.0 -86.1 -18.0 -2.5 16.2 -4.3 61 63 A Q S S- 0 0 72 2,-0.3 -2,-0.1 -35,-0.0 -31,-0.1 -0.805 92.5-105.1-122.1 170.9 -2.0 16.7 -0.5 62 64 A S S S+ 0 0 57 -2,-0.3 32,-0.4 31,-0.0 2,-0.3 0.462 105.1 22.8 -79.2 0.2 -2.4 14.2 2.4 63 65 A L S S- 0 0 14 30,-0.2 2,-0.7 53,-0.1 -2,-0.3 -0.929 92.5 -96.8-150.6 166.3 -5.7 15.9 3.4 64 66 A I E -r 95 0C 1 30,-2.9 32,-2.9 -2,-0.3 2,-1.1 -0.871 44.1-147.2 -91.4 112.1 -8.3 18.0 1.7 65 67 A D E -r 96 0C 20 -2,-0.7 2,-1.7 30,-0.2 32,-0.1 -0.707 19.0-173.2 -96.0 95.3 -7.2 21.5 2.7 66 68 A V E +r 97 0C 0 30,-2.5 32,-2.6 -2,-1.1 2,-0.3 -0.647 49.8 118.0 -83.9 81.2 -10.2 23.9 3.2 67 69 A K S S- 0 0 41 -2,-1.7 32,-0.1 30,-0.2 -30,-0.1 -0.987 73.8 -94.7-150.5 144.2 -7.8 26.8 3.7 68 70 A N > - 0 0 19 6,-0.5 3,-1.7 30,-0.4 8,-0.1 -0.337 31.1-125.8 -60.0 143.8 -7.1 30.0 1.9 69 71 A H T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -36,-0.2 3,-0.1 0.791 112.2 63.0 -62.4 -25.8 -4.3 29.8 -0.6 70 72 A R T 3 S- 0 0 178 1,-0.2 3,-0.3 5,-0.1 -1,-0.3 0.242 119.2-108.0 -85.9 20.7 -2.7 32.8 1.3 71 73 A G X - 0 0 25 -3,-1.7 3,-2.0 1,-0.2 -1,-0.2 0.034 47.5 -48.4 82.1 174.5 -2.5 30.6 4.3 72 74 A K T 3 S+ 0 0 115 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.586 120.6 72.7 -63.3 -14.1 -4.4 30.4 7.7 73 75 A A T 3 S+ 0 0 91 -3,-0.3 2,-0.3 -5,-0.1 -1,-0.3 0.759 95.1 64.1 -70.0 -17.4 -4.1 34.1 8.5 74 76 A H S < S- 0 0 99 -3,-2.0 -6,-0.5 -6,-0.1 2,-0.1 -0.792 90.0-117.7-108.2 144.2 -6.7 34.8 5.7 75 77 A E - 0 0 86 -2,-0.3 2,-0.4 -8,-0.1 25,-0.2 -0.442 14.2-155.4 -78.2 150.3 -10.2 33.5 5.9 76 78 A I E - c 0 100A 3 23,-2.1 25,-2.7 22,-0.1 2,-0.3 -0.990 28.2-176.0-119.2 138.0 -11.8 31.0 3.5 77 79 A K E + c 0 101A 52 -2,-0.4 25,-0.2 -35,-0.3 26,-0.1 -0.925 35.0 21.9-137.0 155.2 -15.6 31.3 3.3 78 80 A N E + 0 0 35 23,-2.1 -32,-2.1 -2,-0.3 2,-0.4 0.939 67.4 145.2 64.5 62.2 -18.9 30.1 2.0 79 81 A I E -bc 46 103A 0 23,-1.4 25,-2.3 -34,-0.2 2,-0.4 -0.986 28.8-169.0-129.7 139.6 -18.4 26.4 0.9 80 82 A S E -bc 47 104A 5 -34,-2.2 -32,-3.1 -2,-0.4 2,-0.5 -0.996 3.5-167.1-119.5 135.9 -20.6 23.3 1.0 81 83 A I E +bc 48 105A 0 23,-2.6 25,-2.6 -2,-0.4 2,-0.4 -0.994 21.3 175.9-114.0 114.6 -19.1 19.9 0.3 82 84 A I E -bc 49 106A 15 -34,-2.5 -32,-2.5 -2,-0.5 25,-0.2 -0.986 25.5-130.3-129.5 125.8 -22.1 17.5 -0.3 83 85 A G E -b 50 0A 0 23,-2.4 2,-0.6 -2,-0.4 -32,-0.2 -0.397 19.7-126.9 -69.1 148.6 -22.1 13.9 -1.3 84 86 A V > - 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