==== 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 3D61 . 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) . 13718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 61.5 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 . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 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 79 0, 0.0 3,-1.2 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 106.7 -22.8 6.1 34.8 2 3 A H T 3 + 0 0 109 1,-0.3 87,-0.0 2,-0.1 86,-0.0 0.823 360.0 47.7 -58.2 -33.8 -20.0 7.9 36.6 3 4 A F T 3 S+ 0 0 17 1,-0.3 86,-2.4 148,-0.1 -1,-0.3 0.574 116.2 44.0 -86.1 -8.4 -18.4 8.9 33.2 4 5 A H S < S- 0 0 12 -3,-1.2 271,-0.3 84,-0.2 -1,-0.3 -0.558 86.0-171.9-131.7 64.5 -21.7 10.1 31.7 5 6 A P + 0 0 53 0, 0.0 26,-0.6 0, 0.0 -3,-0.1 -0.370 31.9 140.9 -65.1 131.7 -23.1 12.1 34.7 6 7 A F + 0 0 7 -2,-0.1 270,-0.1 269,-0.1 -4,-0.1 0.344 28.7 166.9-141.6 -16.2 -26.7 13.5 34.5 7 8 A G + 0 0 47 268,-0.2 3,-0.1 -6,-0.1 269,-0.0 0.476 53.4 39.4 -8.6 132.5 -27.7 12.8 38.1 8 9 A N S S+ 0 0 167 1,-0.2 2,-0.2 0, 0.0 -1,-0.1 0.950 93.2 92.2 80.4 59.6 -30.9 14.5 39.4 9 10 A V - 0 0 34 270,-0.0 2,-0.7 5,-0.0 270,-0.2 -0.814 59.1-145.3-177.7 134.7 -33.2 14.2 36.4 10 11 A N >> - 0 0 50 -2,-0.2 3,-1.7 1,-0.1 4,-0.6 -0.894 9.0-166.3-111.7 100.9 -35.8 11.7 35.1 11 12 A F G >4 S+ 0 0 0 -2,-0.7 3,-0.6 265,-0.3 -1,-0.1 0.768 84.4 64.6 -55.3 -29.7 -35.7 11.6 31.4 12 13 A Y G 34 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.1 291,-0.0 0.708 101.9 47.6 -70.4 -20.2 -39.0 9.8 31.3 13 14 A E G <4 S+ 0 0 159 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.565 94.8 98.0 -96.2 -10.5 -40.9 12.7 32.7 14 15 A M S << S- 0 0 52 -4,-0.6 2,-0.8 -3,-0.6 -5,-0.0 -0.398 74.7-123.3 -81.1 154.9 -39.5 15.3 30.4 15 16 A D - 0 0 111 -2,-0.1 2,-0.4 1,-0.1 -2,-0.1 -0.872 22.0-167.3 -97.1 110.9 -40.9 16.7 27.3 16 17 A W + 0 0 29 -2,-0.8 2,-1.5 -5,-0.1 283,-0.3 -0.239 39.0 133.8 -95.7 46.0 -38.4 16.1 24.5 17 18 A S - 0 0 63 -2,-0.4 -2,-0.1 283,-0.0 -1,-0.1 -0.703 53.3-145.3 -93.3 82.3 -39.9 18.4 21.8 18 19 A L - 0 0 22 -2,-1.5 2,-0.3 281,-0.2 37,-0.2 -0.061 21.5-175.8 -52.3 146.6 -36.6 20.0 20.9 19 20 A K E +a 55 0A 124 35,-2.6 37,-3.1 2,-0.1 2,-0.4 -0.952 38.8 29.2-141.7 159.1 -36.4 23.6 19.9 20 21 A G E S+a 56 0A 57 -2,-0.3 2,-1.1 35,-0.2 37,-0.2 -0.763 108.8 6.1 100.7-140.9 -33.7 26.0 18.7 21 22 A D + 0 0 50 35,-2.7 -2,-0.1 -2,-0.4 36,-0.0 -0.754 67.6 159.5 -87.4 98.9 -30.6 25.2 16.6 22 23 A L + 0 0 35 -2,-1.1 275,-3.0 -4,-0.1 2,-0.4 0.335 23.4 123.6-106.5 5.6 -31.1 21.5 15.9 23 24 A W B +B 296 0B 114 273,-0.2 2,-0.3 262,-0.1 273,-0.3 -0.560 40.0 143.2 -68.2 123.3 -28.9 20.9 12.9 24 25 A A - 0 0 0 271,-1.6 2,-0.3 -2,-0.4 262,-0.2 -0.990 35.4-164.3-161.1 156.9 -26.6 18.1 13.9 25 26 A H S S- 0 0 22 -2,-0.3 16,-2.6 16,-0.2 59,-0.2 -0.954 77.4 -1.8-149.1 123.7 -24.8 15.0 12.7 26 27 A D S S- 0 0 12 -2,-0.3 2,-0.1 243,-0.3 -1,-0.1 0.950 87.0-173.0 61.7 56.0 -23.2 12.2 14.9 27 28 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.392 21.2-177.2 -85.3 157.3 -24.0 13.9 18.3 28 29 A V E -E 39 0C 5 11,-1.6 11,-1.9 -2,-0.1 2,-0.3 -0.927 17.0-141.1-140.7 158.7 -23.1 13.0 21.9 29 30 A I E +E 38 0C 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.948 17.7 176.6-132.2 149.7 -24.2 14.8 25.0 30 31 A A E -E 37 0C 11 7,-1.9 7,-3.0 -2,-0.3 2,-0.4 -0.981 12.6-154.3-145.6 150.4 -22.8 15.8 28.4 31 32 A K E +E 36 0C 42 -26,-0.6 2,-0.4 -2,-0.3 5,-0.2 -0.998 10.2 179.6-132.4 132.0 -24.1 17.8 31.3 32 33 A E E > -E 35 0C 47 3,-2.6 3,-1.8 -2,-0.4 2,-0.2 -0.966 66.7 -40.9-133.0 112.7 -22.1 19.8 33.8 33 34 A G T 3 S- 0 0 61 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.504 124.2 -23.4 69.1-133.2 -24.1 21.5 36.6 34 35 A S T 3 S+ 0 0 85 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.343 119.8 96.7 -93.4 6.5 -27.2 23.1 35.1 35 36 A R E < -E 32 0C 47 -3,-1.8 -3,-2.6 17,-0.1 2,-0.3 -0.848 56.2-159.3-105.9 132.8 -25.7 23.2 31.6 36 37 A W E -EF 31 50C 9 14,-3.3 14,-2.2 -2,-0.4 2,-0.4 -0.800 11.4-161.7-104.5 147.4 -26.2 20.6 28.8 37 38 A Y E -EF 30 49C 1 -7,-3.0 -7,-1.9 -2,-0.3 2,-0.4 -0.987 11.4-162.2-136.1 141.7 -23.8 20.3 25.9 38 39 A V E -EF 29 48C 0 10,-2.8 10,-2.3 -2,-0.4 2,-0.4 -0.979 6.8-171.4-121.1 132.6 -24.0 18.7 22.4 39 40 A F E +EF 28 47C 2 -11,-1.9 -11,-1.6 -2,-0.4 2,-0.3 -0.977 20.7 155.0-120.5 134.3 -20.8 17.9 20.4 40 41 A H E - F 0 46C 3 6,-2.0 6,-1.6 -2,-0.4 -14,-0.2 -0.938 44.3 -60.3-152.2 176.1 -21.2 16.9 16.8 41 42 A T S S+ 0 0 14 -16,-2.6 2,-0.3 -2,-0.3 -16,-0.2 -0.296 78.4 83.5 -63.0 140.3 -19.5 16.7 13.4 42 43 A G E > S-H 82 0D 5 40,-2.0 40,-2.4 -18,-0.1 3,-2.4 -0.895 80.4 -13.0 152.4-180.0 -18.5 19.9 11.8 43 44 A S E 3 S-H 81 0D 36 1,-0.3 38,-0.3 38,-0.3 19,-0.1 -0.230 129.8 -19.0 -50.1 118.5 -15.8 22.5 11.5 44 45 A G T 3 S- 0 0 1 36,-2.9 19,-2.3 17,-0.1 18,-0.9 0.637 129.3 -56.6 54.5 19.9 -13.3 22.0 14.4 45 46 A I < - 0 0 0 -3,-2.4 17,-1.9 37,-0.2 2,-0.2 0.798 68.5-120.8 74.9 109.4 -16.0 20.0 16.2 46 47 A Q E -FG 40 61C 44 -6,-1.6 -6,-2.0 36,-0.2 2,-0.4 -0.506 25.1-158.4 -82.0 146.7 -19.3 21.9 16.7 47 48 A I E -F 39 0C 1 13,-2.1 12,-3.8 -8,-0.2 2,-0.3 -0.960 10.7-176.0-129.0 143.8 -20.9 22.6 20.1 48 49 A K E -FG 38 58C 4 -10,-2.3 -10,-2.8 -2,-0.4 2,-0.3 -0.951 11.3-157.4-131.6 150.8 -24.4 23.4 21.2 49 50 A T E -FG 37 57C 23 8,-2.5 8,-1.8 -2,-0.3 2,-0.3 -0.935 8.5-175.6-131.1 155.8 -25.5 24.3 24.8 50 51 A S E -F 36 0C 4 -14,-2.2 -14,-3.3 -2,-0.3 6,-0.1 -0.997 27.2-150.3-150.9 150.0 -28.8 24.1 26.6 51 52 A E S S+ 0 0 121 4,-0.5 -1,-0.1 -2,-0.3 5,-0.1 0.790 105.6 17.1 -86.4 -33.1 -30.3 25.0 30.0 52 53 A D S S- 0 0 59 3,-0.3 4,-0.1 -16,-0.1 -1,-0.1 0.416 102.4-112.6-120.1 -3.7 -32.9 22.3 30.0 53 54 A G S S+ 0 0 0 2,-0.3 3,-0.1 -17,-0.1 -35,-0.1 0.425 106.3 73.9 83.7 -1.7 -31.7 19.9 27.3 54 55 A V S S+ 0 0 12 1,-0.2 -35,-2.6 -36,-0.1 2,-0.7 0.765 84.5 56.9-110.1 -42.1 -34.6 20.8 25.1 55 56 A H E S-a 19 0A 110 -37,-0.2 -4,-0.5 -35,-0.1 2,-0.3 -0.856 76.4-164.7 -97.1 111.5 -33.9 24.3 23.8 56 57 A W E -a 20 0A 3 -37,-3.1 -35,-2.7 -2,-0.7 2,-0.4 -0.755 13.7-175.5-105.1 146.3 -30.6 24.3 22.0 57 58 A E E -G 49 0C 116 -8,-1.8 -8,-2.5 -2,-0.3 2,-0.1 -0.999 33.5-108.8-136.5 135.6 -28.3 27.1 20.8 58 59 A N E -G 48 0C 79 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.399 32.0-173.2 -64.3 138.2 -25.1 26.8 18.8 59 60 A M E - 0 0 44 -12,-3.8 -11,-0.1 1,-0.4 -1,-0.1 -0.334 37.2 -99.1-133.0 53.9 -22.0 27.6 20.9 60 61 A G E - 0 0 33 -13,-0.1 -13,-2.1 -14,-0.1 -1,-0.4 -0.345 49.7 -76.5 73.3-148.7 -18.9 27.7 18.8 61 62 A W E -G 46 0C 139 -15,-0.2 -15,-0.2 1,-0.1 -16,-0.2 -0.968 19.8-118.5-153.0 165.5 -16.3 24.9 18.3 62 63 A V S S+ 0 0 8 -17,-1.9 65,-0.2 -18,-0.9 -17,-0.2 0.925 99.0 40.4 -74.3 -49.8 -13.4 23.1 20.0 63 64 A F - 0 0 14 -19,-2.3 -1,-0.2 -18,-0.2 3,-0.2 -0.866 53.4-177.2-109.9 103.6 -10.6 23.7 17.6 64 65 A P S S+ 0 0 112 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.833 88.2 18.9 -64.5 -28.6 -10.3 27.3 16.1 65 66 A S S S- 0 0 90 -3,-0.1 3,-0.1 -21,-0.1 15,-0.0 -0.990 93.6-112.3-142.9 131.1 -7.4 25.9 14.1 66 67 A L - 0 0 51 -2,-0.4 14,-0.0 -3,-0.2 -3,-0.0 -0.400 36.2-106.5 -68.2 133.8 -6.6 22.3 13.4 67 68 A P > - 0 0 17 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.269 25.1-125.8 -56.6 142.4 -3.4 20.8 15.0 68 69 A D T > S+ 0 0 126 1,-0.2 3,-1.4 2,-0.1 4,-0.3 0.780 100.4 74.5 -63.5 -27.8 -0.6 20.3 12.5 69 70 A W T >> S+ 0 0 49 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.685 76.5 77.7 -62.9 -16.4 -0.2 16.6 13.4 70 71 A Y H X> S+ 0 0 10 -3,-1.3 4,-2.8 1,-0.3 3,-1.6 0.900 87.3 60.9 -56.7 -40.5 -3.4 15.7 11.5 71 72 A K H <4 S+ 0 0 140 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.704 92.0 65.0 -60.3 -23.7 -1.4 16.0 8.3 72 73 A Q H <4 S+ 0 0 164 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.769 117.2 27.1 -71.3 -24.4 1.0 13.2 9.4 73 74 A Y H << S+ 0 0 68 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.1 0.786 136.3 24.4-105.2 -38.4 -2.0 10.8 9.2 74 75 A V >< + 0 0 4 -4,-2.8 3,-1.2 1,-0.1 -2,-0.2 -0.653 64.4 164.7-130.3 72.1 -4.4 12.3 6.6 75 76 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.831 74.6 59.3 -58.8 -32.9 -2.2 14.5 4.3 76 77 A E T 3 S+ 0 0 161 -3,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.674 76.0 112.3 -72.8 -18.5 -5.0 14.7 1.7 77 78 A K < + 0 0 31 -3,-1.2 25,-0.1 1,-0.1 -3,-0.1 -0.349 36.0 171.3 -60.1 129.3 -7.5 16.3 4.0 78 79 A D + 0 0 145 -2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.763 50.9 60.9-110.4 -36.1 -8.3 19.8 2.9 79 80 A E S S- 0 0 72 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.326 78.2-118.3 -91.3 176.1 -11.3 21.1 4.9 80 81 A D + 0 0 77 -2,-0.1 -36,-2.9 2,-0.1 2,-0.4 0.130 62.6 127.4-103.2 20.6 -11.7 21.6 8.7 81 82 A H E -H 43 0D 77 -38,-0.3 2,-0.4 -37,-0.1 20,-0.4 -0.662 38.4-164.8 -81.8 128.8 -14.6 19.2 9.6 82 83 A L E -H 42 0D 0 -40,-2.4 -40,-2.0 -2,-0.4 2,-0.3 -0.914 19.2-132.0-109.8 139.3 -13.8 16.8 12.4 83 84 A W E -I 99 0E 44 16,-2.3 16,-2.6 -2,-0.4 63,-0.2 -0.668 52.2 -12.8-107.6 156.6 -16.2 13.9 12.8 84 85 A A E - 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