==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAR-10 2X8T . COMPND 2 MOLECULE: ENDO-ALPHA-1,5-ARABINANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.DESANCTIS,J.M.INACIO,P.F.LINDLEY,I.DE SA-NOGUEIRA,I.BENTO . 887 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 325 36.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 73 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 5 0 0 2 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 . 6 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 . 11 4 10 8 7 7 8 2 1 1 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 2 8 0 0 1 1 2 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 28 A K 0 0 118 0, 0.0 421,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -33.4 -0.1 28.5 3.1 2 29 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 340,-0.0 -0.380 360.0-143.2 -53.6 134.3 0.2 27.1 6.7 3 30 A I - 0 0 90 338,-0.1 2,-0.4 2,-0.0 416,-0.0 -0.907 18.7-174.3-110.0 128.7 2.4 24.1 6.5 4 31 A F - 0 0 36 -2,-0.5 2,-0.4 34,-0.1 34,-0.3 -0.937 9.8-170.2-115.1 141.1 1.9 20.9 8.5 5 32 A K B -a 38 0A 111 32,-1.6 34,-2.2 -2,-0.4 2,-0.1 -0.987 25.0-140.0-125.3 123.1 4.1 17.9 8.7 6 33 A E - 0 0 73 -2,-0.4 2,-0.3 32,-0.1 35,-0.2 -0.438 19.9-177.4 -87.7 152.3 2.5 15.0 10.5 7 34 A V - 0 0 4 313,-0.2 313,-1.9 -2,-0.1 2,-0.6 -0.926 22.6-130.8-137.4 164.2 4.0 12.5 13.0 8 35 A S + 0 0 54 -2,-0.3 2,-0.4 311,-0.2 22,-0.2 -0.938 38.4 149.2-121.9 106.7 2.7 9.5 14.9 9 36 A V - 0 0 0 -2,-0.6 2,-0.2 20,-0.1 18,-0.1 -0.934 37.1-142.1-135.0 109.1 3.4 9.5 18.6 10 37 A H S S+ 0 0 18 -2,-0.4 16,-2.2 16,-0.3 19,-0.1 -0.521 84.4 7.1 -73.0 138.2 0.8 7.7 20.6 11 38 A D S S- 0 0 20 14,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.953 90.5-152.7 56.9 56.0 0.1 9.4 24.0 12 39 A P - 0 0 2 0, 0.0 2,-0.6 0, 0.0 13,-0.2 -0.387 10.6-160.7 -70.0 131.9 2.4 12.4 23.3 13 40 A S E -B 24 0B 7 11,-1.6 11,-1.5 -2,-0.1 64,-0.2 -0.938 17.4-139.5-115.8 108.5 3.9 14.1 26.3 14 41 A I E +B 23 0B 5 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.329 26.9 168.5 -70.8 139.5 5.0 17.6 25.5 15 42 A I E -B 22 0B 17 7,-2.3 7,-3.0 -2,-0.1 2,-0.5 -0.935 18.1-153.7-147.7 133.6 8.3 19.1 26.7 16 43 A E E +B 21 0B 59 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.903 13.7 179.1-104.4 133.5 9.9 22.3 25.6 17 44 A T E > -B 20 0B 11 3,-2.8 3,-1.5 -2,-0.5 -2,-0.0 -0.915 65.5 -31.6-139.0 112.2 13.6 22.8 25.9 18 45 A N T 3 S- 0 0 140 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.907 126.5 -38.3 55.2 51.9 15.4 25.9 24.8 19 46 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 15,-0.0 -1,-0.3 0.329 117.9 99.7 87.0 -9.1 13.1 26.7 21.9 20 47 A T E < -B 17 0B 33 -3,-1.5 -3,-2.8 15,-0.0 2,-0.4 -0.929 59.5-144.8-112.5 136.2 12.4 23.2 20.6 21 48 A F E -BC 16 33B 23 12,-2.9 12,-2.4 -2,-0.4 2,-0.4 -0.836 18.3-174.7 -94.9 135.8 9.3 21.2 21.4 22 49 A Y E -BC 15 32B 14 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.4 -0.954 12.2-157.5-123.3 147.0 9.5 17.4 21.8 23 50 A V E -BC 14 31B 0 8,-2.6 8,-1.8 -2,-0.4 2,-0.4 -0.994 6.4-170.7-118.0 134.2 6.8 14.8 22.3 24 51 A F E +BC 13 30B 3 -11,-1.5 -11,-1.6 -2,-0.4 6,-0.2 -0.989 20.3 156.5-117.8 130.2 7.6 11.5 23.9 25 52 A G - 0 0 1 4,-2.3 50,-1.6 -2,-0.4 3,-0.5 -0.247 42.9 -40.7-126.5-146.2 4.9 8.8 23.8 26 53 A S S > S+ 0 0 4 -16,-2.2 3,-1.7 48,-0.2 -1,-0.3 -0.359 113.2 34.5 -82.1 165.5 4.4 5.1 23.9 27 54 A H T 3 S- 0 0 74 45,-3.0 -1,-0.2 1,-0.3 46,-0.1 0.774 127.5 -76.0 61.7 27.0 6.7 2.5 22.2 28 55 A L T 3 S+ 0 0 5 -3,-0.5 17,-0.3 45,-0.4 -1,-0.3 0.811 90.8 155.4 53.6 31.2 9.6 4.8 22.9 29 56 A A < + 0 0 5 -3,-1.7 -4,-2.3 15,-0.3 2,-0.3 -0.563 14.2 168.0 -87.0 152.9 8.3 7.0 20.0 30 57 A S E -CD 24 43B 0 13,-1.9 12,-2.5 -6,-0.2 13,-1.7 -0.990 14.9-177.0-160.5 159.6 9.2 10.7 19.8 31 58 A A E -CD 23 41B 0 -8,-1.8 -8,-2.6 -2,-0.3 2,-0.3 -0.973 11.0-148.5-156.6 161.7 9.1 13.7 17.5 32 59 A K E +CD 22 40B 57 8,-2.1 8,-2.9 -2,-0.3 2,-0.3 -0.957 12.6 175.1-138.8 157.9 10.2 17.4 17.6 33 60 A S E -C 21 0B 6 -12,-2.4 -12,-2.9 -2,-0.3 6,-0.1 -0.986 26.4-154.1-157.5 147.4 9.1 20.7 16.2 34 61 A N S S+ 0 0 117 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.646 101.2 28.7 -93.3 -17.9 10.0 24.4 16.4 35 62 A D S S- 0 0 60 3,-0.4 4,-0.1 -14,-0.1 307,-0.1 0.339 99.5-117.9-127.3 4.7 6.6 25.8 15.5 36 63 A L S S+ 0 0 12 2,-0.3 3,-0.1 1,-0.1 304,-0.1 0.570 104.2 72.7 66.0 10.9 4.1 23.1 16.8 37 64 A M S S+ 0 0 19 1,-0.3 -32,-1.6 304,-0.1 2,-0.7 0.696 89.2 47.9-121.0 -44.3 3.0 22.7 13.1 38 65 A Q B S-a 5 0A 72 -34,-0.3 -4,-0.5 -32,-0.0 -3,-0.4 -0.929 73.9-172.4-104.0 113.8 5.8 20.9 11.3 39 66 A W - 0 0 14 -34,-2.2 2,-0.5 -2,-0.7 -6,-0.2 -0.799 15.1-147.6-105.5 147.8 6.9 17.9 13.3 40 67 A Q E -D 32 0B 114 -8,-2.9 -8,-2.1 -2,-0.3 2,-0.3 -0.975 19.2-129.8-113.8 124.0 9.9 15.7 12.6 41 68 A Q E +D 31 0B 63 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.541 30.9 171.5 -69.7 126.9 9.6 12.0 13.6 42 69 A L E + 0 0 45 -12,-2.5 2,-0.3 1,-0.4 -11,-0.2 0.805 63.7 2.7-104.1 -47.1 12.6 11.0 15.6 43 70 A T E -D 30 0B 12 -13,-1.7 -13,-1.9 1,-0.1 -1,-0.4 -0.961 49.4-180.0-140.6 158.7 11.8 7.5 16.8 44 71 A T + 0 0 92 1,-0.3 2,-0.3 -2,-0.3 -15,-0.3 0.573 60.6 14.4-135.2 -20.9 8.8 5.1 16.3 45 72 A S S S- 0 0 56 -17,-0.3 2,-0.6 2,-0.1 -1,-0.3 -0.989 74.1 -90.3-157.0 166.0 9.3 1.8 18.2 46 73 A V + 0 0 13 -2,-0.3 2,-0.3 24,-0.1 -18,-0.1 -0.707 64.1 125.4 -83.5 117.4 11.1 -0.2 20.9 47 74 A S S > S- 0 0 38 -2,-0.6 3,-2.5 6,-0.1 9,-0.4 -0.964 75.7 -98.7-162.0 163.5 14.2 -2.0 19.4 48 75 A N T 3 S+ 0 0 89 1,-0.3 7,-1.0 -2,-0.3 -2,-0.1 0.554 122.1 64.5 -65.7 -1.4 17.9 -2.2 20.1 49 76 A D T 3 S+ 0 0 140 5,-0.1 -1,-0.3 6,-0.1 -3,-0.1 0.435 72.8 109.5 -98.8 -7.1 18.1 0.3 17.2 50 77 A N X - 0 0 6 -3,-2.5 3,-0.9 3,-0.2 6,-0.2 -0.641 58.1-154.5 -77.7 118.9 16.3 3.1 19.1 51 78 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 62,-0.1 0.698 85.0 73.2 -69.9 -21.2 18.8 5.9 19.9 52 79 A L T 3 S+ 0 0 5 1,-0.3 61,-3.0 -24,-0.2 -23,-0.0 0.888 120.9 9.6 -60.0 -38.7 16.8 7.1 22.9 53 80 A I S X S- 0 0 0 -3,-0.9 3,-0.9 59,-0.2 -1,-0.3 -0.745 85.9-147.0-142.9 89.8 17.9 4.1 24.9 54 81 A P T 3 S+ 0 0 65 0, 0.0 5,-0.2 0, 0.0 -5,-0.1 -0.257 85.9 9.5 -57.7 144.1 20.5 2.0 23.0 55 82 A N T >> S+ 0 0 86 -7,-1.0 4,-2.6 1,-0.1 3,-1.4 0.910 83.5 174.0 51.3 45.7 20.3 -1.7 23.7 56 83 A V H <> + 0 0 0 -3,-0.9 4,-2.9 -9,-0.4 -1,-0.1 0.820 67.2 61.8 -55.3 -39.4 17.0 -1.0 25.4 57 84 A Y H 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.772 114.3 35.6 -63.7 -26.3 16.1 -4.7 25.9 58 85 A E H X4 S+ 0 0 116 -3,-1.4 3,-1.4 2,-0.1 4,-0.2 0.856 115.8 54.5 -86.1 -44.1 19.1 -5.1 28.1 59 86 A E H 3< S+ 0 0 69 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.871 124.1 25.6 -59.3 -41.8 19.0 -1.6 29.6 60 87 A L T >X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 3,-1.1 -0.032 82.5 133.6-110.8 29.9 15.4 -2.0 30.8 61 88 A K H <> + 0 0 91 -3,-1.4 4,-2.4 1,-0.3 5,-0.2 0.844 68.8 55.4 -53.6 -40.2 15.5 -5.8 31.1 62 89 A E H 3> S+ 0 0 113 -4,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.862 108.5 50.1 -61.6 -35.6 13.9 -6.0 34.5 63 90 A T H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.942 111.4 45.5 -69.5 -47.1 10.9 -3.9 33.2 64 91 A F H X>S+ 0 0 16 -4,-1.9 5,-1.3 1,-0.2 4,-1.0 0.888 115.2 49.7 -62.9 -34.7 10.3 -6.0 30.1 65 92 A E H <5S+ 0 0 116 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.922 113.9 43.6 -71.8 -43.2 10.6 -9.2 32.3 66 93 A W H <5S+ 0 0 46 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.949 120.3 40.5 -63.1 -51.2 8.2 -8.0 34.9 67 94 A A H <5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.561 99.4-135.7 -79.2 -8.4 5.6 -6.6 32.5 68 95 A Q T <5 + 0 0 96 -4,-1.0 2,-0.3 -5,-0.2 -3,-0.2 0.933 63.1 117.9 51.3 54.0 6.0 -9.5 30.1 69 96 A S < - 0 0 29 -5,-1.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.902 64.1-144.5-141.2 164.7 6.0 -7.2 27.1 70 97 A D S S+ 0 0 112 -2,-0.3 2,-0.3 -3,-0.1 -24,-0.1 0.174 84.5 52.8-114.9 13.2 8.3 -6.1 24.3 71 98 A T S S- 0 0 21 21,-0.1 2,-0.3 -7,-0.1 21,-0.2 -0.832 74.4-123.5-135.3 176.9 7.2 -2.5 24.3 72 99 A L - 0 0 4 -2,-0.3 -45,-3.0 19,-0.1 19,-0.3 -0.889 21.3-136.2-118.6 152.7 6.9 0.5 26.6 73 100 A W - 0 0 71 17,-2.8 2,-0.6 -2,-0.3 -45,-0.4 -0.035 59.1 -26.3 -94.6-155.4 3.7 2.5 27.3 74 101 A A - 0 0 7 -48,-0.1 -48,-0.2 15,-0.1 70,-0.2 -0.346 65.6-160.2 -71.8 106.5 3.3 6.3 27.6 75 102 A A - 0 0 9 -50,-1.6 2,-0.4 -2,-0.6 14,-0.2 -0.249 7.7-157.1 -72.5 160.7 6.5 8.0 28.7 76 103 A D E -E 88 0C 1 12,-1.2 12,-3.3 -53,-0.1 2,-0.5 -0.980 5.1-161.7-130.3 139.3 6.9 11.4 30.3 77 104 A V E +E 87 0C 2 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.977 12.8 176.2-116.8 131.5 10.2 13.3 30.1 78 105 A T E -E 86 0C 19 8,-2.4 8,-2.4 -2,-0.5 2,-0.4 -0.998 26.4-131.6-134.9 131.3 10.8 16.1 32.5 79 106 A Q E -E 85 0C 70 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.701 27.3-156.3 -79.8 131.1 13.9 18.3 33.0 80 107 A L > - 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