==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-DEC-08 2W5N . COMPND 2 MOLECULE: ALPHA-L-ARABINOFURANOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIBBERELLA ZEAE; . AUTHOR R.CARAPITO,A.IMBERTY,J.M.JELTSCH,S.C.BYRNS,P.H.TAM, . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 PARALLEL BRIDGES PER LADDER . 2 1 3 2 3 4 5 0 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 . 0 0 6 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 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 15 A A 0 0 151 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.0 10.4 112.9 26.6 2 16 A M - 0 0 178 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.781 360.0 -65.5-126.7 169.6 12.9 110.9 24.7 3 17 A K - 0 0 190 -2,-0.3 -1,-0.1 1,-0.1 2,-0.0 -0.285 53.1-132.6 -56.8 141.0 15.4 108.2 25.6 4 18 A P 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.207 360.0 360.0 -82.6-178.3 18.2 109.4 27.9 5 19 A A 0 0 151 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.383 360.0 360.0 -55.7 360.0 21.9 108.7 27.5 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 22 A G 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -96.0 27.1 102.5 26.5 8 23 A K + 0 0 138 2,-0.0 2,-0.2 58,-0.0 58,-0.0 0.602 360.0 77.4 -90.0 -19.7 29.6 100.0 25.2 9 24 A T + 0 0 51 347,-0.0 2,-0.3 326,-0.0 349,-0.2 -0.614 52.3 162.9 -93.4 149.5 29.2 97.1 27.5 10 25 A F E -A 357 0A 21 347,-2.0 347,-2.7 -2,-0.2 2,-0.4 -0.978 25.2-130.1-161.0 163.9 26.4 94.5 27.2 11 26 A S E S- 0 0 69 -2,-0.3 345,-0.2 345,-0.2 307,-0.0 -0.963 72.1 -11.5-126.4 128.5 25.5 91.0 28.4 12 27 A N E - 0 0 81 -2,-0.4 2,-0.6 1,-0.2 344,-0.2 0.875 67.6-179.4 60.4 41.5 24.2 87.9 26.6 13 28 A V E -A 355 0A 32 342,-2.9 342,-2.0 -3,-0.1 -1,-0.2 -0.679 25.9-127.6 -70.6 120.9 23.4 89.5 23.3 14 29 A E E +A 354 0A 114 -2,-0.6 340,-0.3 340,-0.2 54,-0.2 -0.462 31.6 173.3 -77.7 138.4 22.0 86.7 21.1 15 30 A I E + 0 0 23 338,-3.5 2,-0.3 1,-0.3 339,-0.2 0.727 67.9 1.9-109.8 -39.5 23.5 86.3 17.7 16 31 A F E -A 353 0A 50 337,-1.6 337,-3.0 2,-0.0 -1,-0.3 -0.941 47.6-165.2-161.3 134.6 21.8 83.1 16.4 17 32 A D - 0 0 97 -2,-0.3 335,-0.1 335,-0.2 334,-0.0 -0.957 33.9-133.3-124.8 102.5 19.1 80.8 17.6 18 33 A P - 0 0 10 0, 0.0 9,-0.1 0, 0.0 4,-0.0 -0.292 23.2 -94.6 -78.3 145.0 19.3 77.7 15.4 19 34 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 0, 0.0 -0.037 33.1-115.5 -50.8 150.6 16.3 76.0 13.9 20 35 A T T 3 S+ 0 0 141 1,-0.3 6,-0.0 3,-0.0 0, 0.0 0.837 114.2 59.4 -56.0 -33.9 14.7 73.1 15.8 21 36 A N T 3 S+ 0 0 110 2,-0.1 -1,-0.3 28,-0.0 5,-0.1 0.428 77.5 115.4 -84.9 6.8 15.7 70.7 13.0 22 37 A Y S < S- 0 0 33 -3,-2.0 2,-0.4 26,-0.1 26,-0.2 -0.351 74.7-103.7 -68.2 154.0 19.4 71.5 13.2 23 38 A R > - 0 0 89 24,-3.0 3,-3.5 3,-0.2 24,-0.2 -0.691 57.7 -56.5 -89.8 136.2 21.5 68.4 14.3 24 39 A D T 3 S+ 0 0 80 1,-0.4 -1,-0.1 -2,-0.4 320,-0.0 -0.150 132.5 21.6 -45.5 126.0 22.8 68.1 17.8 25 40 A P T 3 S- 0 0 2 0, 0.0 2,-2.0 0, 0.0 -1,-0.4 -0.960 85.0-164.8 -95.3 10.2 24.6 70.2 18.9 26 41 A Q S < S+ 0 0 12 -3,-3.5 21,-2.3 21,-0.1 2,-0.3 -0.358 72.2 14.2 85.9 -58.7 23.1 72.6 16.3 27 42 A V E S+D 46 0B 0 -2,-2.0 2,-0.3 314,-0.2 19,-0.2 -0.972 71.2 149.2-141.3 158.9 25.7 75.2 16.8 28 43 A L E +D 45 0B 6 17,-1.1 17,-3.3 -2,-0.3 314,-0.1 -0.950 43.3 49.7-171.2 161.8 29.1 75.2 18.4 29 44 A Y E - 0 0 4 293,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.973 63.0-159.5 68.1 60.9 32.6 76.8 18.2 30 45 A A E - 0 0 0 292,-0.4 14,-0.2 14,-0.2 -1,-0.2 -0.566 10.5-175.2 -74.1 135.2 32.0 80.5 18.0 31 46 A R E -D 43 0B 6 12,-2.7 12,-2.1 -2,-0.3 2,-0.2 -0.994 4.8-162.7-133.0 134.5 34.7 82.8 16.6 32 47 A P E -D 42 0B 7 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.708 3.3-169.8-108.5 163.0 34.9 86.6 16.3 33 48 A L E -D 41 0B 19 8,-2.4 8,-3.4 -2,-0.2 2,-0.6 -0.960 12.2-151.4-152.1 132.8 37.0 89.0 14.4 34 49 A E E -D 40 0B 24 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.896 18.2-149.3-101.1 126.9 37.5 92.8 14.4 35 50 A L > - 0 0 1 4,-3.2 3,-2.0 -2,-0.6 69,-0.0 -0.468 31.1-103.1 -88.2 166.7 38.5 94.4 11.1 36 51 A S T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.722 121.1 57.5 -66.9 -16.5 40.6 97.5 10.9 37 52 A D T 3 S- 0 0 84 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.388 122.2-104.8 -97.9 5.2 37.6 99.6 10.2 38 53 A G S < S+ 0 0 18 -3,-2.0 26,-0.3 1,-0.3 -2,-0.1 0.341 76.2 136.4 92.0 -6.8 36.0 98.5 13.4 39 54 A T - 0 0 15 24,-0.1 -4,-3.2 -5,-0.1 2,-0.4 -0.417 44.7-141.3 -68.7 145.3 33.5 96.2 11.9 40 55 A L E -DE 34 61B 1 21,-2.6 21,-2.4 -6,-0.2 2,-0.3 -0.935 13.5-166.1-110.4 136.5 33.1 92.8 13.7 41 56 A L E -DE 33 60B 0 -8,-3.4 -8,-2.4 -2,-0.4 2,-0.3 -0.901 6.1-171.6-114.7 154.9 32.6 89.5 12.0 42 57 A G E +DE 32 59B 0 17,-1.9 17,-2.3 -2,-0.3 2,-0.3 -0.981 7.3 170.5-144.5 147.9 31.5 86.2 13.6 43 58 A T E +D 31 0B 0 -12,-2.1 -12,-2.7 -2,-0.3 2,-0.3 -0.935 1.8 174.4-147.5 174.7 31.1 82.6 12.6 44 59 A W E - 0 0 3 13,-0.3 2,-0.6 -2,-0.3 -15,-0.2 -0.978 46.2 -69.3-168.2 169.9 30.5 79.2 14.1 45 60 A E E -D 28 0B 3 -17,-3.3 -17,-1.1 -2,-0.3 2,-0.7 -0.681 47.3-159.8 -75.0 119.1 29.9 75.5 13.4 46 61 A N E -D 27 0B 5 -2,-0.6 2,-1.8 9,-0.5 9,-0.3 -0.889 6.9-163.9-112.8 96.0 26.4 75.4 11.7 47 62 A Y + 0 0 21 -21,-2.3 -24,-3.0 -2,-0.7 -21,-0.1 -0.410 27.5 164.7 -82.8 60.9 24.9 71.8 12.0 48 63 A S - 0 0 3 -2,-1.8 2,-0.4 -26,-0.2 6,-0.1 -0.349 47.4 -95.1 -78.1 154.6 22.2 72.3 9.4 49 64 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 -0.604 63.6 -92.0 -71.5 131.3 20.3 69.5 7.8 50 65 A E S S+ 0 0 51 -2,-0.4 3,-0.1 -3,-0.1 -3,-0.0 -0.724 81.2 74.8-105.0 149.6 22.1 68.6 4.5 51 66 A P S S+ 0 0 113 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.621 83.9 61.4 -80.7 167.8 21.9 69.3 1.7 52 67 A P S S- 0 0 87 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 0.504 107.3-107.3 -69.4 161.4 23.0 71.8 1.0 53 68 A N - 0 0 50 -2,-0.2 29,-0.2 -3,-0.1 23,-0.1 -0.300 49.2 -87.4 -53.9 138.3 26.5 70.9 2.3 54 69 A V - 0 0 3 27,-0.4 29,-2.6 -6,-0.1 22,-0.4 -0.147 50.4-170.2 -54.8 146.5 27.2 72.7 5.6 55 70 A W - 0 0 34 -9,-0.3 -9,-0.5 27,-0.2 20,-0.2 -0.809 28.2-110.5-132.9 163.2 28.7 76.2 5.5 56 71 A F E - F 0 74B 2 18,-2.3 18,-2.8 -2,-0.3 -11,-0.1 -0.925 36.7-140.2 -97.7 112.8 30.2 78.7 7.9 57 72 A P E - F 0 73B 1 0, 0.0 2,-0.5 0, 0.0 -13,-0.3 -0.433 8.0-147.4 -71.8 148.9 27.9 81.6 8.3 58 73 A I E - F 0 72B 0 14,-2.8 13,-2.7 -15,-0.1 14,-1.3 -0.953 16.0-175.2-116.8 115.9 29.3 85.1 8.5 59 74 A V E -EF 42 70B 6 -17,-2.3 -17,-1.9 -2,-0.5 2,-0.4 -0.726 8.4-152.7-102.9 160.3 27.6 87.7 10.6 60 75 A K E -EF 41 69B 24 9,-2.2 9,-1.9 -2,-0.3 2,-0.4 -0.989 8.3-166.0-139.7 134.9 28.5 91.3 10.9 61 76 A S E -E 40 0B 0 -21,-2.4 -21,-2.6 -2,-0.4 3,-0.2 -0.997 11.3-179.7-124.3 131.2 28.1 94.0 13.5 62 77 A K S S+ 0 0 162 -2,-0.4 6,-0.1 5,-0.3 -1,-0.1 0.418 80.0 59.6 -99.9 -5.7 28.6 97.7 13.0 63 78 A D S > S- 0 0 65 4,-0.5 3,-0.7 -23,-0.1 -1,-0.1 -0.115 122.9 -85.1-125.5 36.3 27.9 98.7 16.6 64 79 A G T 3 S- 0 0 26 -26,-0.3 -2,-0.1 1,-0.2 -25,-0.1 0.707 91.8 -49.3 74.7 20.8 30.5 96.9 18.6 65 80 A G T 3 S+ 0 0 0 2,-0.3 -1,-0.2 -25,-0.1 290,-0.1 0.454 107.8 115.5 103.0 1.9 28.5 93.7 18.8 66 81 A K S < S+ 0 0 90 -3,-0.7 2,-0.3 1,-0.2 -2,-0.1 0.928 85.6 17.9 -66.4 -44.9 25.1 95.1 19.9 67 82 A T S S- 0 0 91 -54,-0.0 -4,-0.5 2,-0.0 -2,-0.3 -0.953 72.6-165.1-132.2 150.1 23.3 94.0 16.8 68 83 A W - 0 0 42 -2,-0.3 2,-0.3 -54,-0.2 -7,-0.2 -0.930 7.8-170.9-135.7 152.0 24.2 91.5 14.0 69 84 A K E -F 60 0B 137 -9,-1.9 -9,-2.2 -2,-0.3 2,-0.3 -0.980 29.0-118.0-144.1 136.1 23.3 90.6 10.6 70 85 A E E +F 59 0B 85 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.562 34.8 168.9 -69.1 127.8 24.2 87.7 8.3 71 86 A I E - 0 0 32 -13,-2.7 2,-0.3 -2,-0.3 -12,-0.2 0.569 56.7 -15.2-116.1 -16.6 26.0 89.0 5.2 72 87 A S E -F 58 0B 14 -14,-1.3 -14,-2.8 59,-0.0 2,-0.3 -0.980 52.5-120.9-170.0 174.1 27.4 85.8 3.7 73 88 A K E -F 57 0B 73 -2,-0.3 2,-0.7 -16,-0.2 59,-0.2 -0.998 17.4-137.1-131.2 138.6 28.3 82.2 3.9 74 89 A V E -F 56 0B 0 -18,-2.8 -18,-2.3 -2,-0.3 2,-0.3 -0.871 35.1-171.7 -93.1 114.6 31.7 80.5 3.4 75 90 A K - 0 0 127 -2,-0.7 2,-0.9 -20,-0.2 -20,-0.1 -0.818 30.7-108.3-112.4 150.5 30.9 77.4 1.3 76 91 A D + 0 0 18 -22,-0.4 4,-0.3 -2,-0.3 -23,-0.1 -0.675 39.2 168.9 -76.3 105.9 33.0 74.5 0.3 77 92 A T + 0 0 95 -2,-0.9 -1,-0.2 1,-0.1 57,-0.0 0.313 68.9 48.5 -99.2 6.2 33.6 75.0 -3.4 78 93 A Q S S+ 0 0 91 4,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.765 111.3 29.1-117.1 -38.9 36.2 72.3 -3.7 79 94 A N S S- 0 0 38 3,-0.0 -2,-0.1 32,-0.0 -3,-0.0 0.565 82.6-123.6-113.0 -16.0 35.3 68.9 -2.2 80 95 A N S S+ 0 0 132 -4,-0.3 -3,-0.1 32,-0.0 0, 0.0 0.851 89.6 97.2 61.7 37.4 31.5 68.5 -2.3 81 96 A W S S- 0 0 48 31,-0.1 -27,-0.4 -27,-0.1 2,-0.2 0.733 79.7-120.5-112.6 -48.7 31.8 68.0 1.5 82 97 A G - 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