==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-JAN-08 3C5M . COMPND 2 MOLECULE: OLIGOGALACTURONATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS RIMD 2210633; . AUTHOR F.FOROUHAR,M.ABASHIDZE,J.SEETHARAMAN,H.JANJUA,L.MAO,R.XIAO, . 1130 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 427 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 99 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 12 15 7 12 12 21 3 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 9 7 3 0 0 0 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 2 A A > 0 0 45 0, 0.0 3,-2.5 0, 0.0 72,-0.3 0.000 360.0 360.0 360.0 142.1 13.7 48.5 96.1 2 3 A K T 3 + 0 0 51 1,-0.3 72,-0.2 70,-0.1 3,-0.1 -0.153 360.0 26.1 -45.8 123.0 16.4 45.9 96.4 3 4 A G T 3 S+ 0 0 31 70,-2.1 -1,-0.3 1,-0.4 71,-0.1 0.059 86.4 131.9 109.8 -26.4 15.0 42.5 95.4 4 5 A D < - 0 0 85 -3,-2.5 69,-2.6 68,-0.1 2,-0.4 -0.114 47.0-137.1 -57.6 159.7 12.3 43.7 93.0 5 6 A V E -A 72 0A 86 67,-0.2 2,-0.4 -3,-0.1 67,-0.2 -0.935 13.6-165.2-123.6 144.0 12.0 42.2 89.6 6 7 A I E -A 71 0A 38 65,-2.7 65,-2.8 -2,-0.4 2,-0.6 -0.995 14.2-141.0-131.4 132.3 11.4 43.8 86.2 7 8 A T E -A 70 0A 69 -2,-0.4 63,-0.2 63,-0.2 2,-0.2 -0.818 24.9-162.2 -94.1 123.9 10.4 42.0 83.0 8 9 A L - 0 0 5 61,-3.5 2,-0.5 -2,-0.6 384,-0.2 -0.630 14.6-130.7-105.0 163.1 12.1 43.4 79.9 9 10 A N - 0 0 58 -2,-0.2 2,-0.7 16,-0.2 382,-0.2 -0.951 15.6-148.4-113.2 125.7 11.5 43.2 76.1 10 11 A F E -F 390 0B 18 380,-1.7 380,-3.4 -2,-0.5 2,-0.5 -0.844 14.6-171.4 -98.5 118.7 14.3 42.2 73.8 11 12 A E E -FG 389 24B 37 13,-1.4 13,-2.9 -2,-0.7 2,-0.4 -0.934 4.3-161.3-111.7 124.3 14.0 43.8 70.4 12 13 A T E +FG 388 23B 23 376,-3.4 376,-1.8 -2,-0.5 2,-0.3 -0.878 12.6 174.4-108.4 134.5 16.4 42.7 67.7 13 14 A F E - G 0 22B 32 9,-3.4 9,-2.8 -2,-0.4 2,-0.5 -0.870 29.4-114.5-131.6 165.2 17.2 44.7 64.5 14 15 A V E - G 0 21B 14 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.878 31.2-116.8-105.0 131.3 19.5 44.4 61.5 15 16 A D > - 0 0 6 5,-2.6 4,-2.2 -2,-0.5 3,-0.1 -0.461 18.5-138.7 -65.8 129.6 22.3 46.9 61.0 16 17 A S T 4 S+ 0 0 88 1,-0.2 -1,-0.1 -2,-0.2 310,-0.0 0.675 98.1 38.5 -63.0 -20.4 21.7 48.7 57.7 17 18 A D T 4 S+ 0 0 94 3,-0.1 -1,-0.2 1,-0.0 309,-0.1 0.707 130.9 21.2-104.4 -24.8 25.4 48.6 56.7 18 19 A T T 4 S- 0 0 22 2,-0.2 -2,-0.2 -3,-0.1 3,-0.1 0.500 86.2-133.2-121.0 -9.3 26.6 45.2 57.8 19 20 A Q < + 0 0 94 -4,-2.2 -3,-0.1 1,-0.2 307,-0.1 0.418 56.3 148.2 68.5 -1.5 23.3 43.2 58.1 20 21 A V - 0 0 5 305,-0.4 -5,-2.6 -6,-0.1 2,-0.3 -0.354 51.9-112.1 -66.0 141.0 24.6 42.0 61.4 21 22 A K E -G 14 0B 56 -7,-0.2 350,-2.8 -3,-0.1 2,-0.4 -0.554 34.8-176.6 -78.3 138.4 21.9 41.3 64.1 22 23 A V E -GH 13 370B 0 -9,-2.8 -9,-3.4 -2,-0.3 2,-0.4 -0.997 6.6-161.8-136.5 129.7 21.8 43.6 67.1 23 24 A T E -GH 12 369B 20 346,-2.2 346,-2.2 -2,-0.4 2,-0.5 -0.940 11.7-140.9-120.7 133.9 19.4 43.2 70.0 24 25 A R E -GH 11 368B 14 -13,-2.9 -13,-1.4 -2,-0.4 344,-0.2 -0.794 14.4-175.3 -91.5 125.0 18.5 45.8 72.6 25 26 A L + 0 0 5 342,-2.8 -16,-0.2 -2,-0.5 -1,-0.1 0.841 62.9 54.2 -88.6 -38.3 18.2 44.5 76.2 26 27 A T S S- 0 0 0 341,-0.9 6,-0.1 1,-0.1 -18,-0.0 -0.637 93.7 -87.7-101.6 157.5 17.0 47.6 78.1 27 28 A P > - 0 0 30 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.196 26.9-131.5 -58.4 150.3 13.9 49.9 77.5 28 29 A T T 3 S+ 0 0 55 1,-0.2 336,-0.2 338,-0.1 3,-0.0 0.555 103.5 55.6 -82.1 -6.3 14.4 52.9 75.2 29 30 A D T 3 S+ 0 0 132 1,-0.1 2,-0.4 334,-0.1 -1,-0.2 0.427 99.3 62.1-105.1 -2.5 12.8 55.2 77.8 30 31 A I S < S- 0 0 36 -3,-0.7 2,-0.2 334,-0.1 334,-0.1 -0.988 85.9-109.3-129.9 136.1 15.1 54.5 80.8 31 32 A I + 0 0 32 -2,-0.4 23,-1.6 23,-0.1 2,-0.3 -0.402 46.8 159.5 -63.1 128.4 18.8 55.1 81.2 32 33 A C E +B 53 0A 0 333,-2.1 2,-0.3 21,-0.2 21,-0.2 -0.992 10.2 173.4-148.4 148.6 20.9 52.0 81.4 33 34 A H E -B 52 0A 1 19,-2.0 19,-2.4 -2,-0.3 2,-0.1 -0.992 28.3-114.0-156.3 156.7 24.6 51.1 80.8 34 35 A R - 0 0 0 -2,-0.3 17,-0.1 17,-0.2 3,-0.1 -0.434 38.3-105.9 -85.3 161.6 27.1 48.3 81.1 35 36 A N - 0 0 0 15,-0.4 49,-0.2 1,-0.2 48,-0.2 -0.056 61.3 -54.5 -75.0-176.1 30.0 48.3 83.5 36 37 A Y > - 0 0 47 47,-2.6 3,-1.7 49,-0.2 -1,-0.2 -0.421 54.3-120.2 -65.0 139.3 33.6 48.9 82.5 37 38 A F T 3 S+ 0 0 34 1,-0.3 -1,-0.1 -3,-0.1 311,-0.1 0.672 109.1 54.5 -54.1 -27.0 34.7 46.5 79.7 38 39 A Y T 3 S+ 0 0 66 2,-0.1 2,-0.3 309,-0.1 -1,-0.3 0.665 93.1 86.5 -86.1 -12.1 37.5 44.9 81.7 39 40 A Q S < S- 0 0 12 -3,-1.7 2,-0.3 44,-0.2 -4,-0.1 -0.647 89.4-107.0 -88.4 141.1 35.3 44.0 84.6 40 41 A K + 0 0 53 -2,-0.3 47,-2.2 47,-0.2 -2,-0.1 -0.500 50.6 152.1 -69.6 127.4 33.3 40.8 84.6 41 42 A C + 0 0 4 -2,-0.3 9,-2.7 45,-0.2 2,-0.4 0.400 54.0 72.4-132.4 -4.3 29.6 41.3 84.0 42 43 A F B S-C 49 0A 14 7,-0.2 2,-0.2 45,-0.1 7,-0.2 -0.906 74.7-129.2-116.1 141.4 28.7 37.9 82.4 43 44 A T > - 0 0 8 5,-1.6 3,-2.4 -2,-0.4 5,-0.1 -0.579 34.4-106.2 -84.3 154.4 28.4 34.6 84.1 44 45 A Q T 3 S+ 0 0 135 1,-0.3 -1,-0.1 -2,-0.2 47,-0.0 0.829 121.1 54.1 -48.6 -41.1 30.3 31.7 82.4 45 46 A D T 3 S- 0 0 90 1,-0.1 -1,-0.3 306,-0.0 306,-0.0 0.640 108.1-127.9 -70.1 -13.7 27.1 30.1 81.0 46 47 A G S < S+ 0 0 19 -3,-2.4 -2,-0.1 2,-0.2 -1,-0.1 0.784 80.1 109.3 71.6 28.9 26.3 33.5 79.4 47 48 A K + 0 0 90 1,-0.1 19,-2.5 19,-0.1 20,-0.6 0.660 66.6 54.3-107.3 -23.2 22.8 33.5 81.0 48 49 A K E - D 0 65A 72 17,-0.2 -5,-1.6 18,-0.1 2,-0.4 -0.921 62.4-169.1-117.6 140.8 23.2 36.3 83.6 49 50 A L E -CD 42 64A 0 15,-2.7 15,-3.5 -2,-0.4 2,-0.4 -0.989 13.2-145.3-132.7 137.4 24.3 39.8 83.1 50 51 A L E + D 0 63A 0 -9,-2.7 -15,-0.4 -2,-0.4 2,-0.3 -0.838 38.3 138.6 -99.8 135.9 25.3 42.6 85.5 51 52 A F E - D 0 62A 2 11,-2.0 11,-3.6 -2,-0.4 2,-0.3 -0.952 42.1-110.3-161.9 176.7 24.4 46.2 84.5 52 53 A A E +BD 33 61A 1 -19,-2.4 -19,-2.0 -2,-0.3 2,-0.3 -0.908 33.3 157.2-122.9 150.5 23.0 49.5 85.8 53 54 A G E -BD 32 60A 0 7,-1.8 7,-2.2 -2,-0.3 3,-0.3 -0.978 44.6-119.2-160.7 167.5 19.7 51.3 85.2 54 55 A D > + 0 0 36 -23,-1.6 3,-2.4 -2,-0.3 5,-0.1 0.122 66.0 124.3-101.4 21.6 17.4 54.0 86.7 55 56 A F T 3 S+ 0 0 53 1,-0.3 -1,-0.2 -24,-0.2 4,-0.1 0.855 80.4 44.6 -47.3 -40.2 14.3 51.8 87.0 56 57 A D T 3 S- 0 0 64 2,-0.5 -1,-0.3 -3,-0.3 21,-0.2 -0.026 125.7 -96.9 -99.0 32.7 14.1 52.6 90.7 57 58 A G S < S+ 0 0 65 -3,-2.4 2,-0.3 1,-0.1 -2,-0.1 0.496 103.4 80.3 70.2 1.4 14.7 56.4 90.3 58 59 A N S S- 0 0 60 -5,-0.2 2,-1.2 20,-0.1 -2,-0.5 -0.992 93.4-105.0-140.7 146.9 18.4 55.8 91.1 59 60 A R + 0 0 59 -2,-0.3 21,-0.4 -5,-0.1 2,-0.2 -0.607 65.4 155.1 -70.2 99.1 21.4 54.6 89.1 60 61 A N E -D 53 0A 0 -7,-2.2 -7,-1.8 -2,-1.2 2,-0.3 -0.745 43.7 -93.2-123.5 173.1 21.5 51.1 90.7 61 62 A Y E -D 52 0A 0 -2,-0.2 13,-3.2 -9,-0.2 14,-1.1 -0.683 36.7-176.6 -93.2 139.3 22.8 47.5 89.8 62 63 A Y E -DE 51 73A 4 -11,-3.6 -11,-2.0 -2,-0.3 2,-0.5 -0.864 21.6-141.6-128.7 161.1 20.7 44.9 88.2 63 64 A L E -DE 50 72A 15 9,-1.6 9,-2.0 -2,-0.3 2,-0.4 -0.985 22.9-155.7-123.7 114.7 21.2 41.2 87.3 64 65 A L E -DE 49 71A 1 -15,-3.5 -15,-2.7 -2,-0.5 2,-0.9 -0.786 9.9-144.6 -96.5 135.8 19.5 40.4 84.0 65 66 A N E >>> -DE 48 70A 34 5,-2.2 4,-2.9 -2,-0.4 3,-1.8 -0.851 10.0-160.5 -97.9 99.1 18.5 36.8 83.1 66 67 A L T 345S+ 0 0 36 -19,-2.5 -1,-0.2 -2,-0.9 -18,-0.1 0.804 89.7 44.9 -51.4 -31.7 19.2 36.6 79.4 67 68 A E T 345S+ 0 0 103 -20,-0.6 -1,-0.3 1,-0.1 -19,-0.1 0.471 122.2 34.9 -95.8 1.3 16.9 33.6 79.0 68 69 A T T <45S- 0 0 43 -3,-1.8 -2,-0.2 -21,-0.2 -1,-0.1 0.528 92.8-137.0-123.1 -19.1 14.0 34.9 81.2 69 70 A Q T <5 + 0 0 6 -4,-2.9 -61,-3.5 1,-0.2 2,-0.4 0.696 63.3 127.0 64.9 20.9 14.3 38.5 80.3 70 71 A Q E < -AE 7 65A 58 -5,-0.6 -5,-2.2 -63,-0.2 2,-0.4 -0.902 42.6-162.7-111.6 137.6 13.8 39.3 83.9 71 72 A A E -AE 6 64A 0 -65,-2.8 -65,-2.7 -2,-0.4 2,-0.4 -0.953 5.4-150.8-120.6 138.2 16.1 41.6 85.9 72 73 A V E -AE 5 63A 36 -9,-2.0 -9,-1.6 -2,-0.4 2,-0.5 -0.861 24.7-114.3-108.7 141.6 16.4 41.8 89.7 73 74 A Q E - 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