==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAY-08 3D5Y . 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) . 13492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 60.2 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 . 114 36.3 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 . 28 8.9 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 4 2 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 76 0, 0.0 3,-1.5 0, 0.0 274,-0.1 0.000 360.0 360.0 360.0 120.6 -22.9 6.0 34.7 2 3 A H T 3 + 0 0 109 1,-0.3 86,-0.0 2,-0.1 0, 0.0 0.817 360.0 43.7 -61.0 -33.8 -19.9 7.7 36.3 3 4 A F T 3 S+ 0 0 14 1,-0.3 86,-1.8 148,-0.1 -1,-0.3 0.538 121.4 39.3 -93.0 -4.0 -18.4 8.8 33.0 4 5 A H S < S- 0 0 13 -3,-1.5 271,-0.4 84,-0.2 -1,-0.3 -0.571 85.5-178.5-133.9 65.1 -21.7 10.1 31.5 5 6 A P + 0 0 48 0, 0.0 26,-0.5 0, 0.0 271,-0.1 -0.469 20.6 170.8 -75.3 138.9 -23.3 11.7 34.6 6 7 A F - 0 0 5 1,-0.3 26,-0.1 269,-0.2 3,-0.1 0.087 33.5-141.4-127.9 25.2 -26.8 13.2 34.4 7 8 A G - 0 0 59 1,-0.2 -1,-0.3 24,-0.1 270,-0.2 -0.087 60.3 -29.2 46.5-137.5 -27.5 13.9 38.0 8 9 A G S S+ 0 0 69 268,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.996 89.4 132.9 -70.6 -59.0 -31.0 13.3 39.2 9 10 A V - 0 0 41 1,-0.2 2,-0.8 268,-0.1 270,-0.2 0.728 49.2-141.9 -3.5 135.9 -33.1 14.0 36.1 10 11 A N >> - 0 0 60 1,-0.1 3,-1.9 267,-0.1 4,-0.8 -0.870 11.1-166.7-104.5 94.7 -35.8 11.5 35.1 11 12 A F T 34 S+ 0 0 0 -2,-0.8 3,-0.4 265,-0.3 -1,-0.1 0.776 82.1 64.2 -52.6 -26.6 -35.6 11.4 31.3 12 13 A Y T 34 S+ 0 0 60 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.667 101.0 49.9 -77.9 -13.0 -39.0 9.6 31.1 13 14 A E T <4 S+ 0 0 158 -3,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.669 93.9 102.1 -93.9 -17.3 -40.9 12.6 32.5 14 15 A M S < S- 0 0 49 -4,-0.8 2,-1.0 -3,-0.4 -3,-0.0 -0.235 74.1-121.6 -74.5 151.6 -39.4 15.1 30.2 15 16 A D - 0 0 105 1,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.788 26.4-174.9 -92.2 96.5 -40.8 16.8 27.1 16 17 A W + 0 0 28 -2,-1.0 2,-1.1 -5,-0.1 283,-0.4 -0.112 38.7 127.3 -89.6 33.6 -38.3 15.9 24.4 17 18 A S - 0 0 79 -2,-0.2 -2,-0.1 281,-0.1 283,-0.1 -0.804 59.2-142.2 -85.8 98.5 -39.9 18.1 21.6 18 19 A L - 0 0 29 -2,-1.1 2,-0.3 281,-0.1 37,-0.2 -0.282 23.1-174.1 -73.3 157.4 -36.7 19.8 20.8 19 20 A K E +a 55 0A 99 35,-2.9 37,-2.8 2,-0.1 2,-0.4 -0.946 39.4 27.9-140.6 159.0 -36.4 23.5 19.8 20 21 A G E S+a 56 0A 47 -2,-0.3 2,-1.1 35,-0.2 37,-0.2 -0.730 108.4 5.9 103.0-141.4 -33.8 25.9 18.6 21 22 A D + 0 0 55 35,-2.9 -2,-0.1 -2,-0.4 -1,-0.0 -0.718 67.8 159.6 -88.3 96.8 -30.6 25.2 16.6 22 23 A L + 0 0 36 -2,-1.1 275,-2.8 -4,-0.1 2,-0.3 0.345 21.8 125.4-111.3 10.5 -31.1 21.5 15.8 23 24 A W B +B 296 0B 120 273,-0.2 2,-0.3 262,-0.1 273,-0.3 -0.545 38.5 148.6 -64.5 129.0 -28.8 20.9 12.8 24 25 A A - 0 0 0 271,-1.8 2,-0.4 -2,-0.3 262,-0.2 -0.974 33.5-168.3-163.6 145.4 -26.6 18.0 13.9 25 26 A H S S- 0 0 18 -2,-0.3 16,-2.6 16,-0.3 59,-0.2 -0.982 79.5 -3.0-140.0 126.1 -24.8 15.0 12.5 26 27 A D S S- 0 0 12 -2,-0.4 -1,-0.1 243,-0.3 244,-0.1 0.941 88.3-169.1 63.2 54.6 -23.2 12.2 14.8 27 28 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.419 20.5-177.4 -82.4 151.5 -24.1 13.9 18.1 28 29 A V E -E 39 0C 3 11,-1.8 11,-2.0 -2,-0.1 2,-0.4 -0.914 15.2-145.0-131.7 161.7 -23.1 13.1 21.7 29 30 A I E +E 38 0C 1 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.974 15.7 178.3-131.6 144.2 -24.3 14.8 24.9 30 31 A A E -E 37 0C 12 7,-2.1 7,-3.0 -2,-0.4 2,-0.4 -0.967 13.8-151.0-135.4 157.5 -22.8 15.7 28.2 31 32 A K E +E 36 0C 46 -26,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.997 12.4 178.6-129.0 132.6 -24.2 17.6 31.2 32 33 A E E > -E 35 0C 46 3,-2.9 3,-2.0 -2,-0.4 2,-0.1 -0.971 65.0 -45.2-134.6 113.6 -22.2 19.6 33.7 33 34 A G T 3 S- 0 0 60 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.438 123.3 -21.6 61.5-135.8 -24.1 21.3 36.5 34 35 A S T 3 S+ 0 0 77 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.384 121.1 91.3 -84.4 -3.7 -27.2 23.0 35.0 35 36 A R E < -E 32 0C 35 -3,-2.0 -3,-2.9 17,-0.1 2,-0.3 -0.839 57.5-158.2-104.8 139.2 -25.8 23.1 31.5 36 37 A W E -EF 31 50C 8 14,-3.1 14,-2.2 -2,-0.4 2,-0.4 -0.816 10.9-161.6-106.4 149.2 -26.2 20.5 28.7 37 38 A Y E -EF 30 49C 0 -7,-3.0 -7,-2.1 -2,-0.3 2,-0.4 -0.994 10.5-161.7-135.6 138.2 -23.8 20.2 25.7 38 39 A V E -EF 29 48C 0 10,-2.2 10,-2.6 -2,-0.4 2,-0.4 -0.964 7.4-168.8-112.4 134.0 -24.0 18.6 22.3 39 40 A F E +EF 28 47C 2 -11,-2.0 -11,-1.8 -2,-0.4 2,-0.3 -0.978 20.8 159.5-112.0 140.2 -20.8 17.9 20.3 40 41 A H E - F 0 46C 3 6,-2.3 6,-1.8 -2,-0.4 -14,-0.2 -0.942 43.3 -65.3-153.3 172.1 -21.2 16.9 16.7 41 42 A T S S+ 0 0 14 -16,-2.6 2,-0.3 -2,-0.3 -16,-0.3 -0.336 78.1 88.3 -60.1 138.3 -19.5 16.6 13.3 42 43 A G E > S-H 82 0D 3 40,-2.2 40,-2.6 38,-0.1 3,-2.1 -0.940 79.4 -17.7 157.4-177.0 -18.6 19.9 11.7 43 44 A S E 3 S-H 81 0D 35 -2,-0.3 38,-0.3 1,-0.3 19,-0.2 -0.301 129.9 -15.2 -58.9 122.9 -15.9 22.5 11.4 44 45 A G T 3 S- 0 0 0 36,-2.5 19,-2.3 17,-0.1 18,-1.0 0.573 129.3 -58.6 63.2 15.1 -13.5 22.2 14.3 45 46 A I < - 0 0 0 -3,-2.1 17,-1.8 37,-0.3 2,-0.2 0.777 69.8-120.3 68.6 112.3 -16.1 20.0 16.1 46 47 A Q E -FG 40 61C 41 -6,-1.8 -6,-2.3 36,-0.2 2,-0.4 -0.564 25.2-157.1 -82.4 145.5 -19.3 21.9 16.6 47 48 A I E -F 39 0C 1 13,-2.4 12,-3.1 -8,-0.2 2,-0.3 -0.966 10.6-177.1-123.4 139.6 -20.8 22.6 20.0 48 49 A K E -FG 38 58C 2 -10,-2.6 -10,-2.2 -2,-0.4 2,-0.3 -0.923 10.5-158.5-123.5 157.4 -24.4 23.4 21.1 49 50 A T E -FG 37 57C 20 8,-2.7 8,-2.5 -2,-0.3 2,-0.3 -0.938 8.6-177.7-134.9 161.0 -25.6 24.2 24.6 50 51 A S E -F 36 0C 3 -14,-2.2 -14,-3.1 -2,-0.3 6,-0.1 -0.995 28.4-146.2-153.9 144.0 -28.9 24.1 26.5 51 52 A E S S+ 0 0 114 4,-0.5 -1,-0.1 -2,-0.3 5,-0.1 0.730 104.3 17.7 -75.9 -26.8 -30.3 24.9 29.9 52 53 A D S S- 0 0 63 3,-0.4 -1,-0.1 -16,-0.1 4,-0.1 0.487 102.4-106.6-131.1 -0.6 -32.8 22.1 29.9 53 54 A G S S+ 0 0 0 2,-0.3 3,-0.1 -17,-0.1 -35,-0.0 0.284 109.3 65.4 88.0 -4.4 -31.8 19.5 27.2 54 55 A V S S+ 0 0 8 1,-0.2 -35,-2.9 -36,-0.1 2,-0.7 0.756 86.2 60.3-119.0 -42.3 -34.6 20.6 24.9 55 56 A H E S-a 19 0A 79 -37,-0.2 -4,-0.5 -35,-0.1 -3,-0.4 -0.863 75.1-166.4 -95.5 113.2 -33.9 24.2 23.8 56 57 A W E -a 20 0A 0 -37,-2.8 -35,-2.9 -2,-0.7 2,-0.4 -0.814 12.7-173.4-110.9 142.3 -30.6 24.1 21.9 57 58 A E E -G 49 0C 97 -8,-2.5 -8,-2.7 -2,-0.4 -37,-0.0 -0.996 33.6-107.2-136.4 137.9 -28.3 26.9 20.8 58 59 A N E -G 48 0C 91 -2,-0.4 -10,-0.3 -10,-0.2 -36,-0.0 -0.392 35.2-176.6 -60.2 137.2 -25.2 26.9 18.7 59 60 A M E - 0 0 40 -12,-3.1 -11,-0.1 1,-0.4 -1,-0.1 -0.387 38.3 -96.9-138.9 46.2 -22.1 27.5 21.0 60 61 A G E - 0 0 35 -13,-0.1 -13,-2.4 -14,-0.1 -1,-0.4 -0.315 47.8 -75.3 78.1-156.8 -18.9 27.7 18.9 61 62 A W E -G 46 0C 136 -15,-0.2 -15,-0.2 1,-0.1 -16,-0.2 -0.932 21.2-122.7-148.4 165.1 -16.4 24.9 18.2 62 63 A V S S+ 0 0 9 -17,-1.8 65,-0.2 -18,-1.0 -17,-0.2 0.930 97.5 35.0 -80.8 -48.7 -13.5 23.1 19.9 63 64 A F - 0 0 13 -19,-2.3 -1,-0.2 -18,-0.1 3,-0.1 -0.929 53.9-179.1-112.3 110.5 -10.6 23.7 17.5 64 65 A P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.883 86.1 26.7 -71.6 -34.9 -10.5 27.2 15.9 65 66 A S S S- 0 0 92 -21,-0.1 15,-0.0 0, 0.0 0, 0.0 -0.978 94.5-117.5-125.5 133.9 -7.3 26.1 14.1 66 67 A L - 0 0 50 -2,-0.3 14,-0.0 -3,-0.1 0, 0.0 -0.542 31.9-103.5 -83.5 136.9 -6.5 22.4 13.3 67 68 A P > - 0 0 17 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.237 23.1-131.1 -47.1 133.7 -3.5 20.7 14.9 68 69 A D T > S+ 0 0 139 1,-0.2 3,-1.7 2,-0.1 4,-0.4 0.806 99.2 74.4 -57.4 -32.7 -0.6 20.2 12.4 69 70 A W T >> S+ 0 0 47 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.706 77.4 76.8 -64.7 -16.9 -0.2 16.6 13.4 70 71 A Y H X> S+ 0 0 8 -3,-1.3 4,-2.6 1,-0.3 3,-1.3 0.866 87.8 59.8 -56.2 -34.7 -3.4 15.7 11.4 71 72 A K H <4 S+ 0 0 148 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.737 92.2 65.2 -73.4 -19.4 -1.3 16.0 8.2 72 73 A Q H <4 S+ 0 0 164 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.776 118.4 25.6 -66.5 -24.9 1.0 13.2 9.3 73 74 A Y H << S+ 0 0 65 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.1 0.703 137.2 24.6-109.9 -32.8 -1.9 10.8 9.1 74 75 A V >< + 0 0 2 -4,-2.6 3,-1.8 -5,-0.2 -2,-0.1 -0.594 65.6 165.2-136.0 65.1 -4.3 12.3 6.6 75 76 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.740 72.6 60.6 -64.4 -21.2 -2.2 14.5 4.4 76 77 A E T 3 S+ 0 0 143 -3,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.551 74.9 115.4 -78.6 -11.7 -4.9 14.8 1.7 77 78 A K < + 0 0 29 -3,-1.8 25,-0.1 -7,-0.1 -3,-0.1 -0.343 34.1 169.7 -66.5 137.5 -7.4 16.4 4.1 78 79 A D + 0 0 139 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.077 50.7 57.5-143.0 27.4 -8.1 19.9 2.9 79 80 A E S S- 0 0 78 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.924 78.0-116.1-148.5 173.3 -11.1 21.2 5.0 80 81 A D + 0 0 72 -2,-0.3 -36,-2.5 2,-0.1 2,-0.4 0.263 62.8 126.9-105.7 15.4 -11.7 21.6 8.6 81 82 A H E -H 43 0D 76 -38,-0.3 20,-0.4 -37,-0.1 2,-0.4 -0.558 37.8-165.6 -79.2 126.9 -14.6 19.3 9.4 82 83 A L E -H 42 0D 0 -40,-2.6 -40,-2.2 -2,-0.4 2,-0.3 -0.867 16.7-136.6-110.6 142.9 -13.9 16.9 12.2 83 84 A W E -I 99 0E 43 16,-2.6 16,-2.5 -2,-0.4 63,-0.2 -0.816 52.4 -7.7-115.1 146.6 -16.3 13.9 12.6 84 85 A A E - 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