==== 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 16-APR-08 3CU9 . COMPND 2 MOLECULE: INTRACELLULAR ARABINANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR A.ALHASSID,A.BEN DAVID,Y.SHOHAM,G.SHOHAM . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 36.6 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 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 . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 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 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 4 1 3 3 2 2 3 2 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 4 0 0 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 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 V > 0 0 78 0, 0.0 3,-1.6 0, 0.0 274,-0.1 0.000 360.0 360.0 360.0 113.5 -23.2 6.2 34.9 2 3 A H T 3 + 0 0 110 1,-0.3 86,-0.0 2,-0.1 0, 0.0 0.804 360.0 43.6 -58.7 -34.0 -20.1 7.8 36.4 3 4 A F T 3 S+ 0 0 16 1,-0.3 86,-1.9 148,-0.1 -1,-0.3 0.573 123.4 36.7 -91.5 -8.9 -18.5 8.7 33.1 4 5 A H S < S- 0 0 12 -3,-1.6 271,-0.4 84,-0.2 -1,-0.3 -0.604 86.1-178.0-133.2 66.7 -21.8 10.0 31.6 5 6 A P + 0 0 46 0, 0.0 26,-0.5 0, 0.0 271,-0.1 -0.491 19.6 173.1 -78.0 138.3 -23.5 11.6 34.6 6 7 A F > - 0 0 5 1,-0.4 3,-0.8 269,-0.3 26,-0.1 0.063 34.4-135.0-128.1 28.7 -27.0 13.2 34.3 7 8 A G T 3 - 0 0 56 1,-0.2 -1,-0.4 24,-0.1 270,-0.3 -0.238 55.9 -45.2 58.9-144.5 -27.9 14.1 37.9 8 9 A N T 3 S+ 0 0 168 268,-0.1 -1,-0.2 2,-0.1 268,-0.1 0.525 91.9 127.9-101.1 -11.5 -31.3 13.2 39.2 9 10 A V < - 0 0 51 -3,-0.8 2,-0.6 1,-0.1 270,-0.1 -0.103 56.6-130.6 -56.0 155.0 -33.4 14.5 36.2 10 11 A N >> - 0 0 54 1,-0.1 3,-1.2 268,-0.1 4,-0.6 -0.925 14.9-165.8-119.4 107.7 -35.9 11.9 34.9 11 12 A F G >4 S+ 0 0 0 -2,-0.6 3,-0.6 265,-0.3 -1,-0.1 0.772 85.7 59.5 -68.7 -26.2 -35.8 11.4 31.2 12 13 A Y G 34 S+ 0 0 76 1,-0.2 -1,-0.3 288,-0.1 291,-0.0 0.699 105.6 50.0 -76.5 -15.5 -39.1 9.4 31.1 13 14 A E G <4 S+ 0 0 159 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.641 93.3 98.5 -89.4 -16.5 -41.0 12.4 32.6 14 15 A M S << S- 0 0 44 -4,-0.6 2,-0.9 -3,-0.6 -3,-0.0 -0.351 74.7-122.7 -86.5 153.7 -39.6 15.1 30.2 15 16 A D - 0 0 115 1,-0.1 2,-0.9 -2,-0.1 -1,-0.1 -0.802 24.3-168.9 -89.9 93.4 -41.1 16.6 27.1 16 17 A W + 0 0 28 -2,-0.9 2,-1.3 -5,-0.1 283,-0.3 -0.126 38.5 133.9 -86.0 41.4 -38.5 15.9 24.4 17 18 A S - 0 0 65 -2,-0.9 -2,-0.1 281,-0.1 283,-0.1 -0.757 53.3-144.9 -84.3 88.9 -40.1 18.1 21.7 18 19 A L - 0 0 23 -2,-1.3 2,-0.3 281,-0.2 37,-0.2 -0.201 21.9-176.3 -70.0 154.6 -36.8 19.8 20.8 19 20 A K E +a 55 0A 122 35,-2.5 37,-2.7 2,-0.1 2,-0.4 -0.960 37.9 26.6-139.8 159.1 -36.5 23.4 19.8 20 21 A G E S+a 56 0A 60 -2,-0.3 2,-1.2 35,-0.2 37,-0.2 -0.749 108.4 9.0 100.8-139.5 -33.9 25.8 18.5 21 22 A D + 0 0 66 35,-2.5 -2,-0.1 -2,-0.4 -1,-0.0 -0.713 67.8 159.4 -88.3 93.4 -30.8 25.1 16.6 22 23 A L + 0 0 36 -2,-1.2 275,-2.8 -4,-0.1 2,-0.3 0.372 23.2 123.3-108.9 6.2 -31.3 21.4 15.7 23 24 A W B +B 296 0B 123 273,-0.2 2,-0.3 262,-0.1 273,-0.3 -0.527 39.4 148.5 -62.8 127.8 -29.0 20.8 12.8 24 25 A A - 0 0 0 271,-1.6 2,-0.3 -2,-0.3 262,-0.2 -0.983 32.7-167.5-162.0 150.0 -26.7 17.9 13.9 25 26 A H S S- 0 0 22 -2,-0.3 16,-2.5 16,-0.3 59,-0.3 -0.966 76.8 -3.6-143.5 124.4 -24.8 15.0 12.6 26 27 A D S S- 0 0 13 -2,-0.3 244,-0.1 243,-0.3 -1,-0.1 0.921 88.5-167.8 65.0 51.9 -23.3 12.2 14.7 27 28 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.274 24.3-178.8 -79.1 157.6 -24.1 13.7 18.1 28 29 A V E -E 39 0C 4 11,-1.8 11,-2.0 58,-0.1 2,-0.3 -0.932 15.8-146.5-136.6 165.0 -23.1 13.0 21.7 29 30 A I E +E 38 0C 1 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.975 14.5 178.0-134.3 141.8 -24.4 14.8 24.9 30 31 A A E -E 37 0C 12 7,-2.0 7,-2.8 -2,-0.3 2,-0.4 -0.973 13.0-152.4-135.5 158.3 -22.9 15.7 28.2 31 32 A K E +E 36 0C 41 -26,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.996 11.2 179.3-129.9 130.6 -24.3 17.5 31.2 32 33 A E E > -E 35 0C 48 3,-2.6 3,-2.0 -2,-0.4 -26,-0.0 -0.977 66.2 -45.2-132.6 118.0 -22.3 19.5 33.7 33 34 A G T 3 S- 0 0 60 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.422 123.6 -19.6 57.6-132.1 -24.3 21.2 36.5 34 35 A S T 3 S+ 0 0 79 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.411 120.6 89.6 -84.1 -2.0 -27.4 22.9 35.0 35 36 A R E < -E 32 0C 33 -3,-2.0 -3,-2.6 17,-0.1 2,-0.3 -0.835 57.2-158.6-109.4 139.0 -26.0 23.0 31.5 36 37 A W E -EF 31 50C 8 14,-3.2 14,-2.0 -2,-0.4 2,-0.4 -0.822 9.8-162.8-109.3 149.5 -26.3 20.5 28.7 37 38 A Y E -EF 30 49C 1 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.4 -0.993 10.1-159.8-135.6 138.9 -23.9 20.2 25.7 38 39 A V E -EF 29 48C 0 10,-2.2 10,-2.4 -2,-0.4 2,-0.4 -0.969 8.2-167.9-108.3 134.6 -24.1 18.5 22.3 39 40 A F E +EF 28 47C 2 -11,-2.0 -11,-1.8 -2,-0.4 2,-0.3 -0.977 21.4 159.3-112.7 140.6 -20.9 17.8 20.4 40 41 A H E - F 0 46C 5 6,-2.3 6,-2.0 -2,-0.4 -14,-0.2 -0.951 42.7 -65.5-153.2 172.5 -21.2 16.8 16.7 41 42 A T S S+ 0 0 14 -16,-2.5 2,-0.3 -2,-0.3 -16,-0.3 -0.289 78.6 83.5 -61.4 136.4 -19.6 16.5 13.3 42 43 A G E > S-H 82 0D 6 40,-2.2 40,-2.5 38,-0.1 3,-2.1 -0.935 80.5 -12.7 155.9-173.2 -18.6 19.7 11.7 43 44 A S E 3 S-H 81 0D 37 1,-0.3 38,-0.3 -2,-0.3 19,-0.2 -0.266 129.5 -17.8 -57.1 123.9 -15.9 22.4 11.5 44 45 A G T 3 S- 0 0 0 36,-2.6 19,-2.2 17,-0.1 18,-0.8 0.541 128.3 -57.5 59.2 17.0 -13.5 22.0 14.4 45 46 A I S < S- 0 0 0 -3,-2.1 17,-1.9 37,-0.3 2,-0.2 0.760 70.1-121.5 69.6 111.1 -16.1 19.8 16.2 46 47 A Q E -FG 40 61C 43 -6,-2.0 -6,-2.3 36,-0.2 2,-0.4 -0.608 24.8-156.8 -82.6 148.2 -19.3 21.8 16.6 47 48 A I E -FG 39 60C 3 13,-2.2 12,-2.9 -2,-0.2 13,-0.7 -0.960 10.9-177.2-125.6 139.6 -20.9 22.5 20.0 48 49 A K E -FG 38 58C 2 -10,-2.4 -10,-2.2 -2,-0.4 2,-0.3 -0.919 10.4-157.4-125.7 157.1 -24.4 23.3 21.1 49 50 A T E -FG 37 57C 21 8,-2.5 8,-2.4 -2,-0.3 2,-0.3 -0.922 9.5-179.0-133.7 157.8 -25.7 24.1 24.6 50 51 A S E -F 36 0C 5 -14,-2.0 -14,-3.2 -2,-0.3 6,-0.1 -0.985 27.5-146.8-150.9 145.1 -29.0 24.0 26.4 51 52 A E S S+ 0 0 137 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.730 103.8 20.0 -79.0 -23.0 -30.3 24.8 29.9 52 53 A D S S- 0 0 61 3,-0.4 -1,-0.1 -16,-0.1 4,-0.1 0.501 102.9-107.6-128.7 -8.7 -32.9 22.0 29.8 53 54 A G S S+ 0 0 0 2,-0.3 3,-0.1 -17,-0.1 -35,-0.0 0.289 108.8 66.8 93.1 -6.4 -31.9 19.4 27.2 54 55 A V S S+ 0 0 13 1,-0.2 -35,-2.5 -36,-0.1 2,-0.7 0.768 85.8 57.4-118.4 -45.4 -34.7 20.5 24.9 55 56 A H E S-a 19 0A 110 -37,-0.2 -4,-0.5 -35,-0.1 -3,-0.4 -0.878 75.7-164.4 -96.3 113.8 -34.1 24.1 23.7 56 57 A W E -a 20 0A 7 -37,-2.7 -35,-2.5 -2,-0.7 2,-0.4 -0.796 12.8-170.1-108.6 143.4 -30.7 24.1 21.9 57 58 A E E -G 49 0C 132 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.1 -0.997 28.9-114.5-132.0 135.5 -28.5 26.9 20.9 58 59 A N E +G 48 0C 80 -2,-0.4 -10,-0.3 -10,-0.2 -36,-0.0 -0.436 37.3 176.0 -63.9 139.2 -25.4 26.8 18.7 59 60 A M E - 0 0 50 -12,-2.9 2,-0.3 1,-0.3 -11,-0.2 0.401 37.3 -79.1-131.9 1.8 -22.2 27.7 20.6 60 61 A G E -G 47 0C 24 -13,-0.7 -13,-2.2 4,-0.0 -1,-0.3 -0.919 47.2 -88.1 130.8-155.4 -18.8 27.6 19.0 61 62 A W E -G 46 0C 137 -2,-0.3 -15,-0.2 -15,-0.2 -16,-0.2 -0.952 18.6-122.6-150.8 163.1 -16.3 24.8 18.2 62 63 A V S S+ 0 0 10 -17,-1.9 65,-0.2 -18,-0.8 -17,-0.2 0.912 98.3 34.6 -80.7 -44.6 -13.5 23.0 19.9 63 64 A F + 0 0 15 -19,-2.2 -1,-0.2 -18,-0.2 3,-0.1 -0.858 53.0 179.3-119.7 97.6 -10.6 23.7 17.4 64 65 A P S S+ 0 0 107 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.844 87.6 26.4 -63.2 -27.8 -10.6 27.0 15.7 65 66 A S S S- 0 0 95 -3,-0.1 3,-0.1 -21,-0.1 15,-0.0 -1.000 95.0-118.5-138.1 132.8 -7.4 25.9 14.0 66 67 A L - 0 0 49 -2,-0.4 14,-0.0 1,-0.1 -3,-0.0 -0.489 33.2-100.7 -77.7 139.4 -6.6 22.3 13.4 67 68 A P > - 0 0 18 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.266 24.0-129.6 -49.1 137.0 -3.5 20.6 15.0 68 69 A D T > S+ 0 0 141 1,-0.2 3,-1.7 2,-0.1 4,-0.4 0.799 100.2 72.7 -58.9 -32.9 -0.6 20.2 12.6 69 70 A W T >> S+ 0 0 47 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.720 77.9 76.0 -65.1 -19.0 -0.2 16.5 13.5 70 71 A Y H X> S+ 0 0 9 -3,-1.2 4,-2.8 1,-0.3 3,-1.3 0.871 88.5 60.6 -54.2 -35.5 -3.4 15.6 11.6 71 72 A K H <4 S+ 0 0 146 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.737 92.6 64.5 -68.4 -23.1 -1.3 15.9 8.4 72 73 A Q H <4 S+ 0 0 163 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.764 118.3 25.7 -68.9 -26.9 1.1 13.2 9.5 73 74 A Y H << S+ 0 0 68 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.1 0.745 136.9 25.1-106.0 -34.2 -1.8 10.7 9.3 74 75 A V >< + 0 0 4 -4,-2.8 3,-1.8 -5,-0.2 -2,-0.1 -0.623 66.4 166.2-133.1 64.6 -4.3 12.2 6.8 75 76 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.759 72.1 58.2 -63.2 -22.7 -2.1 14.4 4.5 76 77 A E T 3 S+ 0 0 150 2,-0.0 2,-0.2 -5,-0.0 -5,-0.1 0.537 73.3 118.6 -86.9 -1.9 -4.8 14.7 1.8 77 78 A K < + 0 0 30 -3,-1.8 25,-0.1 1,-0.1 -3,-0.1 -0.482 35.1 174.8 -65.7 131.8 -7.4 16.2 4.1 78 79 A D + 0 0 139 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.078 51.8 53.4-130.1 19.2 -8.2 19.7 2.8 79 80 A E S S- 0 0 81 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.888 78.1-114.7-149.5 174.6 -11.1 21.0 5.0 80 81 A D + 0 0 72 -2,-0.3 -36,-2.6 2,-0.1 2,-0.4 0.257 62.5 126.8-108.5 17.0 -11.7 21.4 8.7 81 82 A H E -H 43 0D 80 -38,-0.3 20,-0.4 -37,-0.1 2,-0.3 -0.609 37.4-166.3 -81.6 131.3 -14.6 19.1 9.5 82 83 A L E -H 42 0D 0 -40,-2.5 -40,-2.2 -2,-0.4 2,-0.4 -0.861 17.7-137.9-112.0 142.3 -13.9 16.7 12.4 83 84 A W E -I 99 0E 42 16,-2.5 16,-2.5 -2,-0.3 63,-0.2 -0.820 51.6 -6.1-116.7 148.5 -16.3 13.8 12.8 84 85 A A E - 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