==== 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 3D5Z . 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) . 13555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 60.5 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 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 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 77 0, 0.0 3,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 114.8 -22.6 5.8 34.6 2 3 A H T 3 + 0 0 105 1,-0.2 87,-0.0 2,-0.1 86,-0.0 0.833 360.0 45.7 -61.9 -35.0 -19.7 7.5 36.2 3 4 A F T 3 S+ 0 0 19 1,-0.3 86,-2.3 148,-0.1 -1,-0.2 0.623 120.9 40.5 -84.3 -12.2 -18.1 8.6 32.9 4 5 A H S < S+ 0 0 12 -3,-0.7 271,-0.3 84,-0.2 -1,-0.3 -0.581 84.8 176.1-132.1 66.8 -21.5 9.8 31.6 5 6 A P + 0 0 50 0, 0.0 26,-0.6 0, 0.0 -3,-0.1 -0.487 19.1 173.3 -78.1 143.2 -23.1 11.5 34.7 6 7 A F - 0 0 7 1,-0.3 3,-0.2 -2,-0.2 26,-0.1 0.049 35.1-133.9-136.2 26.2 -26.4 13.3 34.5 7 8 A G - 0 0 59 1,-0.2 2,-1.0 24,-0.1 -1,-0.3 -0.143 64.4 -25.5 55.3-148.0 -27.1 14.2 38.2 8 9 A G S S+ 0 0 86 268,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.614 92.6 131.5-101.1 74.9 -30.6 13.5 39.5 9 10 A V - 0 0 36 -2,-1.0 2,-0.7 -3,-0.2 270,-0.2 -0.959 49.1-143.8-127.5 144.6 -32.8 13.6 36.5 10 11 A N > - 0 0 56 -2,-0.4 3,-1.6 1,-0.1 267,-0.1 -0.906 8.8-164.8-106.9 104.4 -35.4 11.3 35.2 11 12 A F G > S+ 0 0 0 -2,-0.7 3,-1.1 265,-0.4 -1,-0.1 0.754 87.5 62.2 -58.5 -26.8 -35.2 11.2 31.4 12 13 A Y G 3 S+ 0 0 58 1,-0.2 -1,-0.3 -3,-0.1 291,-0.0 0.696 101.4 51.0 -74.6 -18.7 -38.6 9.6 31.2 13 14 A E G < S+ 0 0 159 -3,-1.6 2,-0.3 2,-0.1 -1,-0.2 0.154 95.4 99.4-102.5 16.9 -40.3 12.6 32.8 14 15 A M S < S- 0 0 56 -3,-1.1 2,-0.6 -5,-0.0 39,-0.0 -0.757 75.1-118.4-109.5 154.2 -38.7 15.1 30.4 15 16 A D + 0 0 88 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.769 28.7 178.2 -86.5 120.1 -40.0 16.9 27.3 16 17 A W + 0 0 26 -2,-0.6 2,-1.3 2,-0.1 283,-0.4 -0.004 40.2 119.6-114.6 28.6 -37.8 15.8 24.4 17 18 A S - 0 0 75 281,-0.1 -2,-0.1 283,-0.0 283,-0.1 -0.781 62.6-145.0 -92.7 90.2 -39.5 17.8 21.7 18 19 A L - 0 0 26 -2,-1.3 2,-0.3 281,-0.2 37,-0.2 -0.095 23.7-179.5 -61.9 154.5 -36.5 19.8 20.8 19 20 A K E +a 55 0A 105 35,-2.5 37,-2.9 2,-0.1 2,-0.3 -0.957 42.0 36.5-148.1 159.4 -36.3 23.5 19.6 20 21 A G E S+a 56 0A 59 -2,-0.3 2,-1.1 35,-0.2 37,-0.2 -0.775 108.4 5.1 102.9-143.6 -33.6 25.9 18.6 21 22 A D + 0 0 67 35,-2.9 -2,-0.1 -2,-0.3 0, 0.0 -0.734 68.3 159.5 -84.5 101.8 -30.5 25.2 16.7 22 23 A L + 0 0 37 -2,-1.1 275,-3.1 -4,-0.1 2,-0.4 0.322 21.5 126.0-109.9 7.2 -30.9 21.5 15.8 23 24 A W B +B 296 0B 114 273,-0.2 2,-0.3 262,-0.1 273,-0.3 -0.541 39.0 147.1 -66.5 123.6 -28.6 20.9 12.8 24 25 A A - 0 0 0 271,-1.6 2,-0.3 -2,-0.4 262,-0.2 -0.991 33.0-171.2-159.6 153.6 -26.5 18.0 13.9 25 26 A H S S+ 0 0 20 -2,-0.3 16,-2.4 16,-0.2 59,-0.2 -0.943 78.0 0.5-150.2 122.7 -24.7 14.9 12.6 26 27 A D S S- 0 0 13 -2,-0.3 244,-0.1 243,-0.3 -1,-0.1 0.958 87.8-172.1 63.8 56.3 -23.1 12.2 14.7 27 28 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.368 21.6 178.7 -84.6 157.6 -24.0 13.7 18.1 28 29 A V E -E 39 0C 4 11,-1.3 11,-1.8 -2,-0.1 2,-0.3 -0.928 16.9-143.6-144.9 160.0 -23.2 12.8 21.7 29 30 A I E +E 38 0C 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.935 16.3 177.3-134.5 155.6 -24.2 14.6 24.9 30 31 A A E -E 37 0C 12 7,-2.1 7,-3.1 -2,-0.3 2,-0.4 -0.969 14.3-149.4-149.2 155.8 -22.9 15.5 28.3 31 32 A K E +E 36 0C 34 -26,-0.6 2,-0.4 -2,-0.3 5,-0.2 -0.998 13.6 176.4-135.1 130.4 -24.2 17.4 31.3 32 33 A E E > -E 35 0C 44 3,-2.1 3,-1.6 -2,-0.4 2,-0.3 -0.969 66.5 -38.0-134.6 115.0 -22.2 19.4 33.8 33 34 A G T 3 S- 0 0 60 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.543 124.2 -25.5 70.7-129.7 -24.0 21.3 36.5 34 35 A S T 3 S+ 0 0 76 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.231 119.5 95.5-102.2 13.4 -27.2 22.7 35.1 35 36 A R E < -E 32 0C 33 -3,-1.6 -3,-2.1 17,-0.1 2,-0.4 -0.850 57.5-155.1-109.6 141.9 -25.9 22.8 31.5 36 37 A W E -EF 31 50C 9 14,-3.1 14,-2.2 -2,-0.4 2,-0.4 -0.884 13.6-164.0-111.1 143.7 -26.3 20.3 28.7 37 38 A Y E -EF 30 49C 1 -7,-3.1 -7,-2.1 -2,-0.4 2,-0.4 -0.992 9.8-165.3-134.9 138.0 -23.8 20.0 25.9 38 39 A V E -EF 29 48C 0 10,-2.6 10,-2.2 -2,-0.4 2,-0.4 -0.980 5.5-167.1-121.7 131.7 -23.9 18.3 22.5 39 40 A F E +EF 28 47C 2 -11,-1.8 -11,-1.3 -2,-0.4 2,-0.3 -0.944 20.0 159.6-115.7 137.6 -20.8 17.7 20.4 40 41 A H E - F 0 46C 2 6,-2.1 6,-1.9 -2,-0.4 -14,-0.2 -0.962 43.0 -62.0-152.7 171.9 -21.1 16.8 16.8 41 42 A T S S+ 0 0 18 -16,-2.4 2,-0.3 -2,-0.3 42,-0.2 -0.235 79.4 84.3 -56.2 137.8 -19.4 16.6 13.4 42 43 A G E > S-H 82 0D 10 40,-2.2 40,-2.6 -18,-0.1 3,-2.4 -0.924 80.5 -11.3 154.8-178.1 -18.3 19.9 11.9 43 44 A S E 3 S-H 81 0D 31 1,-0.3 38,-0.3 -2,-0.3 19,-0.1 -0.248 131.3 -22.0 -49.5 115.8 -15.6 22.5 11.7 44 45 A G T 3 S- 0 0 2 36,-2.3 19,-2.2 17,-0.1 18,-0.6 0.670 130.0 -54.2 52.4 20.9 -13.2 21.8 14.6 45 46 A I < - 0 0 0 -3,-2.4 17,-2.0 37,-0.2 -4,-0.2 0.764 69.1-119.0 77.4 111.2 -16.1 19.8 16.2 46 47 A Q E -FG 40 61C 36 -6,-1.9 -6,-2.1 36,-0.2 2,-0.4 -0.507 25.6-155.9 -81.3 147.5 -19.3 21.8 16.7 47 48 A I E -F 39 0C 0 13,-2.2 12,-3.6 -8,-0.2 2,-0.3 -0.964 11.7-177.7-127.5 143.3 -20.8 22.5 20.1 48 49 A K E -FG 38 58C 3 -10,-2.2 -10,-2.6 -2,-0.4 2,-0.3 -0.960 10.0-160.5-133.0 150.2 -24.4 23.2 21.2 49 50 A T E -FG 37 57C 18 8,-2.7 8,-1.9 -2,-0.3 2,-0.3 -0.936 6.5-173.9-133.9 157.2 -25.6 23.9 24.8 50 51 A S E -F 36 0C 4 -14,-2.2 -14,-3.1 -2,-0.3 6,-0.1 -0.997 25.0-153.1-151.0 147.7 -28.9 23.9 26.6 51 52 A E S S+ 0 0 111 4,-0.4 -1,-0.1 -2,-0.3 5,-0.1 0.779 103.9 14.8 -87.1 -32.1 -30.3 24.8 30.0 52 53 A D S S- 0 0 67 3,-0.3 4,-0.1 -16,-0.1 -17,-0.1 0.565 100.5-112.8-118.6 -17.0 -33.1 22.3 29.9 53 54 A G S S+ 0 0 0 2,-0.4 3,-0.1 -17,-0.1 -35,-0.0 0.328 104.3 77.8 97.1 -6.8 -32.2 19.9 27.1 54 55 A V S S+ 0 0 11 1,-0.2 -35,-2.5 -36,-0.1 2,-0.6 0.862 86.8 51.2 -97.3 -53.6 -35.2 21.1 25.1 55 56 A H E S-a 19 0A 97 -37,-0.2 -4,-0.4 -35,-0.1 -2,-0.4 -0.801 74.0-167.2 -92.8 117.7 -33.9 24.4 23.7 56 57 A W E -a 20 0A 0 -37,-2.9 -35,-2.9 -2,-0.6 2,-0.3 -0.831 8.2-176.3-109.8 144.8 -30.5 24.1 22.0 57 58 A E E -G 49 0C 133 -8,-1.9 -8,-2.7 -2,-0.4 2,-0.1 -0.997 34.1-102.0-138.0 141.2 -28.2 26.9 20.9 58 59 A N E -G 48 0C 86 -2,-0.3 -10,-0.3 -10,-0.2 3,-0.1 -0.346 30.6-172.8 -62.0 136.7 -24.9 26.8 19.0 59 60 A M E - 0 0 36 -12,-3.6 -11,-0.1 1,-0.4 -1,-0.1 -0.311 40.1-103.2-129.7 50.2 -21.8 27.3 21.3 60 61 A G E - 0 0 40 -13,-0.1 -13,-2.2 -14,-0.0 -1,-0.4 -0.330 51.1 -70.7 70.3-147.6 -18.8 27.6 19.0 61 62 A W E -G 46 0C 132 -15,-0.2 -15,-0.2 1,-0.1 -16,-0.2 -0.966 23.9-116.5-147.7 163.3 -16.4 24.7 18.5 62 63 A V S S+ 0 0 10 -17,-2.0 65,-0.3 -18,-0.6 -17,-0.2 0.958 99.5 28.7 -64.4 -56.0 -13.6 22.7 20.2 63 64 A F - 0 0 11 -19,-2.2 -1,-0.2 -18,-0.2 3,-0.1 -0.899 63.9-146.1-113.1 140.3 -10.7 23.7 18.0 64 65 A P S S- 0 0 114 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.824 87.3 -14.6 -68.1 -31.9 -10.3 26.9 16.0 65 66 A S S S- 0 0 77 -21,-0.1 15,-0.0 -3,-0.1 16,-0.0 -0.847 93.1 -62.5-153.7-173.0 -8.5 24.9 13.3 66 67 A L - 0 0 37 -2,-0.2 15,-0.0 -3,-0.1 -23,-0.0 -0.711 50.1-114.8 -90.3 129.4 -6.9 21.5 12.7 67 68 A P > - 0 0 20 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.285 28.6-119.0 -56.3 144.8 -3.8 20.5 14.7 68 69 A D G > S+ 0 0 131 1,-0.3 3,-1.3 2,-0.1 4,-0.2 0.783 105.0 72.2 -60.3 -30.9 -0.8 20.1 12.5 69 70 A W G > S+ 0 0 51 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.640 77.2 81.8 -63.0 -11.5 -0.2 16.4 13.2 70 71 A Y G X> S+ 0 0 8 -3,-1.5 4,-2.3 1,-0.3 3,-2.3 0.898 80.3 65.0 -58.4 -40.9 -3.3 15.5 11.1 71 72 A K G <4 S+ 0 0 131 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.689 89.4 66.2 -57.8 -19.5 -1.3 15.8 7.9 72 73 A Q G <4 S+ 0 0 161 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.740 117.4 25.1 -74.1 -21.3 0.8 12.8 9.0 73 74 A Y T <4 S+ 0 0 61 -3,-2.3 -2,-0.2 -4,-0.4 -1,-0.2 0.655 125.2 39.7-114.7 -25.3 -2.3 10.6 8.7 74 75 A V S < S- 0 0 3 -4,-2.3 -1,-0.3 27,-0.1 3,-0.2 -0.986 83.1-108.9-136.7 129.5 -4.6 12.4 6.2 75 76 A P - 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