==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-13 4C2L . COMPND 2 MOLECULE: ENDO-XYLOGALACTURONAN HYDROLASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS TUBINGENSIS; . AUTHOR H.J.ROZEBOOM,G.BELDMAN,H.A.SCHOLS,B.W.DIJKSTRA . 372 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 81.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 182 48.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 49 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 7 5 5 0 1 0 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 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 35 A A 0 0 103 0, 0.0 30,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.1 -14.9 -1.3 28.7 2 36 A V E -a 31 0A 99 28,-0.2 2,-0.4 30,-0.0 30,-0.2 -0.931 360.0-170.8-113.7 130.9 -16.0 0.5 31.9 3 37 A a E -a 32 0A 23 28,-2.9 30,-2.4 -2,-0.4 19,-0.0 -0.964 11.3-159.7-122.6 136.0 -14.8 -0.6 35.4 4 38 A T - 0 0 80 -2,-0.4 30,-0.1 28,-0.2 3,-0.1 -0.953 26.3-128.5-112.2 114.6 -16.1 0.5 38.8 5 39 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 14,-0.1 -0.291 27.9-106.1 -62.0 141.8 -13.5 -0.2 41.5 6 40 A T - 0 0 111 12,-0.2 2,-0.5 9,-0.1 12,-0.1 -0.524 30.2-141.9 -67.7 121.5 -14.9 -2.0 44.6 7 41 A A - 0 0 47 -2,-0.4 33,-0.1 1,-0.1 -1,-0.1 -0.789 5.2-156.9 -86.6 123.5 -15.2 0.4 47.5 8 42 A G - 0 0 45 -2,-0.5 -1,-0.1 5,-0.2 32,-0.1 0.727 24.7-141.0 -71.1 -23.2 -14.3 -1.3 50.8 9 43 A G + 0 0 57 30,-0.4 2,-0.4 4,-0.1 31,-0.1 0.580 67.6 89.2 74.8 12.2 -16.3 1.3 52.7 10 44 A D S > S- 0 0 79 3,-0.3 3,-2.3 1,-0.1 31,-0.1 -0.979 70.8-139.1-147.2 134.4 -13.9 1.6 55.6 11 45 A S T 3 S+ 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.690 104.6 61.6 -65.4 -19.2 -10.9 3.9 56.2 12 46 A S T 3 S+ 0 0 104 1,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.538 94.5 74.8 -80.8 -6.9 -9.0 1.0 57.7 13 47 A T S < S- 0 0 74 -3,-2.3 2,-0.4 2,-0.0 28,-0.3 -0.940 82.7-134.0-109.9 120.6 -9.2 -0.8 54.4 14 48 A D - 0 0 52 -2,-0.6 4,-0.3 1,-0.1 28,-0.2 -0.564 15.8-170.1 -73.0 123.2 -6.9 0.4 51.6 15 49 A D > + 0 0 5 26,-3.1 4,-2.1 -2,-0.4 3,-0.2 0.485 63.2 97.4 -88.1 -6.7 -8.9 0.7 48.3 16 50 A V H > S+ 0 0 12 25,-0.4 4,-2.8 1,-0.2 5,-0.3 0.909 80.2 51.9 -53.0 -44.9 -5.8 1.3 46.2 17 51 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.925 109.8 49.4 -61.7 -40.4 -5.5 -2.3 45.0 18 52 A A H > S+ 0 0 31 -4,-0.3 4,-1.9 -3,-0.2 -2,-0.2 0.877 112.7 49.4 -59.3 -39.8 -9.1 -2.4 43.9 19 53 A I H X S+ 0 0 5 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.931 112.0 45.2 -67.2 -47.1 -8.5 0.9 42.0 20 54 A T H X S+ 0 0 46 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.838 111.3 53.8 -70.5 -28.3 -5.3 -0.3 40.2 21 55 A E H X S+ 0 0 121 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.925 109.4 48.4 -68.4 -41.2 -6.9 -3.6 39.3 22 56 A A H X S+ 0 0 4 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.922 113.7 47.3 -60.6 -44.3 -9.8 -1.7 37.7 23 57 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.907 112.7 48.6 -63.3 -42.4 -7.3 0.5 35.9 24 58 A S H < S+ 0 0 84 -4,-2.7 4,-0.2 2,-0.2 -2,-0.2 0.907 115.9 44.3 -64.1 -38.7 -5.3 -2.5 34.8 25 59 A S H < S+ 0 0 79 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.917 133.3 15.9 -72.5 -43.5 -8.5 -4.2 33.6 26 60 A a H X S+ 0 0 7 -4,-2.8 4,-1.3 -5,-0.2 -3,-0.2 0.508 98.4 94.5-109.3 -9.3 -10.1 -1.3 31.8 27 61 A G T < + 0 0 0 -4,-2.7 25,-3.0 -5,-0.3 2,-1.6 0.520 58.6 89.7 -74.1 -8.5 -7.3 1.3 31.3 28 62 A N B 4 S-q 52 0B 140 -4,-0.2 25,-0.2 23,-0.2 -1,-0.2 -0.643 129.3 -37.5 -84.8 78.3 -6.2 0.2 27.8 29 63 A G T 4 S+ 0 0 53 23,-1.8 -2,-0.2 -2,-1.6 -1,-0.2 0.488 121.2 103.5 85.0 4.0 -8.6 2.6 26.1 30 64 A G < - 0 0 4 -4,-1.3 25,-2.1 -7,-0.2 2,-0.4 -0.150 66.4 -98.5-106.8-160.6 -11.4 2.2 28.6 31 65 A T E -ab 2 55A 28 -30,-2.6 -28,-2.9 23,-0.2 2,-0.4 -0.960 14.8-162.5-132.2 138.6 -13.1 4.0 31.6 32 66 A I E -ab 3 56A 1 23,-2.7 25,-3.2 -2,-0.4 2,-0.5 -0.983 17.9-159.0-118.2 132.3 -12.8 3.8 35.3 33 67 A V E - b 0 57A 26 -30,-2.4 25,-0.2 -2,-0.4 23,-0.1 -0.948 19.7-168.5-120.5 125.6 -15.7 5.3 37.3 34 68 A F E - b 0 58A 4 23,-3.2 25,-2.4 -2,-0.5 26,-0.6 -0.940 41.1-128.9-102.0 105.6 -15.7 6.5 40.9 35 69 A P > - 0 0 47 0, 0.0 3,-2.1 0, 0.0 26,-0.2 -0.095 21.9 -90.3 -63.3 153.1 -19.5 7.0 41.3 36 70 A E T 3 S+ 0 0 138 1,-0.3 24,-0.2 24,-0.1 3,-0.1 -0.290 114.7 21.1 -54.1 135.3 -21.2 10.1 42.6 37 71 A G T 3 S+ 0 0 72 22,-0.6 -1,-0.3 1,-0.3 2,-0.1 0.400 97.1 126.7 82.6 -2.1 -21.7 9.9 46.4 38 72 A S < - 0 0 22 -3,-2.1 23,-2.7 -4,-0.1 2,-0.4 -0.460 45.3-155.2 -82.7 158.0 -18.9 7.2 46.8 39 73 A T E -c 61 0A 47 21,-0.2 2,-0.4 -2,-0.1 -30,-0.4 -0.980 8.3-170.8-132.6 124.3 -16.0 7.5 49.2 40 74 A Y E -c 62 0A 5 21,-3.0 23,-3.2 -2,-0.4 2,-0.6 -0.919 14.9-142.5-112.9 142.3 -12.7 5.6 48.5 41 75 A Y E -c 63 0A 53 -2,-0.4 -26,-3.1 -28,-0.3 2,-0.7 -0.922 11.9-166.0-109.6 116.7 -9.9 5.4 51.1 42 76 A L E +c 64 0A 0 21,-2.5 23,-2.2 -2,-0.6 -28,-0.1 -0.895 15.0 169.1-109.1 106.5 -6.5 5.5 49.6 43 77 A N + 0 0 32 -2,-0.7 2,-0.3 21,-0.2 -1,-0.1 0.242 63.6 28.9-106.6 15.4 -4.0 4.4 52.2 44 78 A S S S- 0 0 22 33,-0.1 21,-0.1 27,-0.0 2,-0.1 -0.924 105.0 -54.0-157.4 174.5 -0.9 4.1 49.9 45 79 A V - 0 0 37 -2,-0.3 2,-0.7 1,-0.1 33,-0.2 -0.377 47.8-142.3 -59.1 131.9 0.5 5.6 46.7 46 80 A L E -r 78 0C 5 31,-3.2 33,-2.6 -4,-0.1 2,-0.6 -0.897 15.9-161.8 -98.8 111.7 -2.0 5.4 43.8 47 81 A D E -r 79 0C 77 -2,-0.7 3,-0.3 31,-0.2 33,-0.2 -0.849 12.9-172.4-100.4 121.3 -0.0 4.6 40.6 48 82 A L > + 0 0 4 31,-2.8 3,-2.1 -2,-0.6 32,-0.1 0.190 46.7 121.4 -96.8 18.4 -1.9 5.3 37.4 49 83 A G T 3 + 0 0 37 1,-0.3 -1,-0.2 30,-0.2 31,-0.1 0.663 61.9 64.5 -61.6 -21.1 0.7 3.7 35.1 50 84 A S T 3 S+ 0 0 50 -3,-0.3 2,-0.3 33,-0.1 -1,-0.3 0.525 77.0 112.0 -82.7 -1.4 -1.6 1.2 33.5 51 85 A b < + 0 0 5 -3,-2.1 33,-0.5 -23,-0.1 2,-0.3 -0.546 36.1 168.2 -70.1 127.7 -3.6 4.0 31.9 52 86 A S B S-q 28 0B 47 -25,-3.0 -23,-1.8 -2,-0.3 33,-0.2 -0.834 82.3 -24.7-141.7 102.0 -3.2 4.1 28.1 53 87 A D S S+ 0 0 100 32,-1.3 33,-0.2 31,-1.3 2,-0.2 0.907 103.6 157.2 57.0 43.5 -5.8 6.4 26.6 54 88 A b E - d 0 86A 0 31,-1.6 33,-1.4 -25,-0.1 2,-0.5 -0.573 40.7-141.0 -98.2 161.6 -7.9 5.8 29.7 55 89 A D E -bd 31 87A 13 -25,-2.1 -23,-2.7 -2,-0.2 2,-0.7 -0.980 12.0-167.9-125.3 114.5 -10.6 7.9 31.2 56 90 A I E -bd 32 88A 6 31,-3.6 33,-2.8 -2,-0.5 2,-0.8 -0.901 6.7-163.3-106.6 106.8 -10.8 8.1 35.0 57 91 A Q E -bd 33 89A 38 -25,-3.2 -23,-3.2 -2,-0.7 2,-0.8 -0.796 3.3-169.3 -97.9 106.9 -14.1 9.7 36.1 58 92 A V E +b 34 0A 0 31,-2.8 37,-0.5 -2,-0.8 35,-0.2 -0.846 26.7 147.6 -98.6 104.8 -13.9 10.9 39.7 59 93 A E + 0 0 14 -25,-2.4 -22,-0.6 -2,-0.8 -1,-0.2 0.539 63.0 49.5-110.2 -12.2 -17.4 11.8 40.8 60 94 A G S S- 0 0 5 -26,-0.6 36,-2.4 -24,-0.2 2,-0.5 -0.178 98.9 -69.2-106.9-158.1 -17.0 10.8 44.5 61 95 A L E -ce 39 96A 47 -23,-2.7 -21,-3.0 34,-0.2 2,-0.6 -0.857 30.5-165.6-103.6 125.6 -14.4 11.4 47.2 62 96 A L E -ce 40 97A 4 34,-2.8 36,-3.0 -2,-0.5 2,-0.7 -0.963 17.7-168.5-106.2 110.0 -10.9 9.9 47.1 63 97 A K E -ce 41 98A 74 -23,-3.2 -21,-2.5 -2,-0.6 2,-0.2 -0.896 7.3-150.1-109.6 112.7 -9.6 10.4 50.6 64 98 A F E -c 42 0A 1 34,-2.7 -21,-0.2 -2,-0.7 2,-0.1 -0.499 23.3-110.6 -74.1 145.5 -5.9 9.8 51.3 65 99 A A - 0 0 20 -23,-2.2 -1,-0.1 -2,-0.2 -24,-0.0 -0.485 13.6-140.9 -66.3 144.1 -4.7 8.5 54.6 66 100 A S + 0 0 35 -2,-0.1 5,-0.2 4,-0.0 -1,-0.1 0.853 47.0 150.3 -70.5 -36.6 -2.7 11.1 56.7 67 101 A D > - 0 0 74 1,-0.2 4,-2.2 3,-0.1 3,-0.3 0.517 26.5-171.2 0.3 79.0 -0.4 8.3 57.8 68 102 A T H > S+ 0 0 33 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.826 80.0 55.6 -63.3 -31.3 2.7 10.5 58.2 69 103 A D H 4 S+ 0 0 146 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.899 110.5 46.5 -64.5 -41.6 5.1 7.6 58.7 70 104 A Y H 4 S+ 0 0 60 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.943 115.3 43.9 -65.1 -47.7 4.0 6.0 55.4 71 105 A W H >< S+ 0 0 4 -4,-2.2 3,-2.5 -5,-0.2 -1,-0.2 0.651 81.7 128.0 -75.4 -14.2 4.2 9.2 53.4 72 106 A S T 3< S- 0 0 65 -4,-1.2 44,-0.2 1,-0.3 3,-0.1 -0.186 87.8 -8.6 -50.3 119.8 7.5 10.3 54.9 73 107 A G T 3 S+ 0 0 48 42,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.504 97.2 144.0 71.1 4.9 10.0 11.0 52.0 74 108 A R < - 0 0 108 -3,-2.5 -1,-0.2 41,-0.4 3,-0.1 -0.516 46.0-144.3 -78.6 146.9 7.6 9.7 49.3 75 109 A T S S+ 0 0 85 -2,-0.2 43,-2.5 1,-0.2 2,-0.3 0.919 71.9 13.6 -72.7 -47.7 7.5 11.4 45.9 76 110 A A E - 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