==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING MODULE 24-AUG-06 2J44 . COMPND 2 MOLECULE: ALKALINE AMYLOPULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.LAMMERTS VAN BUEREN,M.HIGGINS,D.WANG,R.D.BURKE, . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 27.6 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 26 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 4 2 1 0 3 1 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 1 3 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 7 A D 0 0 165 0, 0.0 56,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.2 8.4 -24.5 -40.8 2 8 A N + 0 0 51 1,-0.1 55,-2.7 54,-0.1 2,-0.3 0.975 360.0 165.7 79.6 68.5 11.8 -23.5 -39.4 3 9 A Y E -A 56 0A 123 53,-0.2 2,-0.4 24,-0.1 53,-0.2 -0.741 27.8-143.2-108.2 158.8 11.7 -19.9 -38.2 4 10 A F E -A 55 0A 0 51,-2.3 51,-3.1 -2,-0.3 2,-0.5 -0.997 16.0-140.1-123.8 129.0 14.1 -18.0 -36.0 5 11 A R E -Ab 54 92A 86 86,-3.1 88,-2.4 -2,-0.4 2,-0.6 -0.789 12.3-166.3 -95.6 119.6 12.7 -15.5 -33.5 6 12 A I E -Ab 53 93A 1 47,-2.8 47,-1.8 -2,-0.5 2,-0.4 -0.918 8.6-157.8-106.4 116.7 14.6 -12.2 -33.0 7 13 A H E -Ab 52 94A 4 86,-3.0 88,-2.9 -2,-0.6 2,-0.5 -0.763 2.0-158.9 -93.8 138.5 13.5 -10.2 -29.9 8 14 A V E -Ab 51 95A 1 43,-2.9 43,-1.6 -2,-0.4 3,-0.2 -0.976 10.0-164.5-123.0 120.9 14.1 -6.5 -29.8 9 15 A K S S- 0 0 77 86,-2.6 2,-0.3 -2,-0.5 -1,-0.1 0.898 80.1 -2.9 -65.9 -47.8 14.2 -4.6 -26.4 10 16 A K S S- 0 0 69 86,-0.3 -1,-0.3 85,-0.2 89,-0.1 -0.932 71.4-124.8-151.6 125.1 13.8 -1.1 -27.9 11 17 A L - 0 0 19 -2,-0.3 5,-0.1 -3,-0.2 86,-0.0 -0.438 27.7-122.5 -63.1 141.1 13.7 0.0 -31.4 12 18 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.823 93.5 39.6 -56.8 -32.4 16.4 2.7 -32.2 13 19 A E S S- 0 0 67 2,-0.1 -2,-0.1 1,-0.1 6,-0.1 -0.774 86.9-111.9-125.4 167.7 13.7 5.1 -33.3 14 20 A E S S+ 0 0 175 -2,-0.3 2,-0.8 1,-0.1 -3,-0.1 0.894 93.0 63.8 -69.4 -49.2 10.2 6.1 -32.2 15 21 A N > - 0 0 92 1,-0.2 3,-1.4 2,-0.0 4,-0.3 -0.707 57.8-164.3 -90.7 110.7 7.9 4.9 -34.9 16 22 A K G > S+ 0 0 44 -2,-0.8 3,-1.2 1,-0.3 25,-0.6 0.782 87.5 65.6 -55.1 -32.0 7.8 1.1 -35.4 17 23 A D G 3 S+ 0 0 88 1,-0.3 -1,-0.3 24,-0.2 25,-0.2 0.739 99.6 50.4 -69.8 -23.7 6.2 1.6 -38.9 18 24 A A G < S+ 0 0 26 -3,-1.4 54,-1.5 23,-0.1 2,-0.3 0.476 103.0 75.8 -91.6 -1.2 9.3 3.3 -40.3 19 25 A Q E < +E 71 0B 3 -3,-1.2 22,-3.1 -4,-0.3 23,-0.4 -0.816 55.1 175.1-116.8 152.1 11.7 0.6 -39.2 20 26 A G E -EF 70 40B 3 50,-1.8 50,-2.1 -2,-0.3 2,-0.6 -0.943 32.9-108.3-148.9 168.1 12.4 -2.9 -40.4 21 27 A L E -EF 69 39B 1 18,-3.2 18,-2.8 -2,-0.3 2,-0.5 -0.896 27.7-165.0-106.5 113.6 14.6 -6.0 -40.0 22 28 A W E -E 68 0B 36 46,-2.1 46,-1.7 -2,-0.6 2,-0.3 -0.874 16.9-175.5-101.4 123.0 17.1 -6.5 -42.9 23 29 A T E +E 67 0B 9 -2,-0.5 8,-2.1 44,-0.2 2,-0.3 -0.814 13.3 163.6-124.2 156.5 18.5 -10.0 -42.9 24 30 A W E +E 66 0B 67 42,-2.2 42,-1.9 -2,-0.3 2,-0.2 -0.887 42.7 46.7-154.6-171.8 21.1 -12.1 -44.7 25 31 A D E S+E 65 0B 59 -2,-0.3 2,-1.8 40,-0.2 40,-0.2 -0.530 115.0 12.9 66.0-130.9 23.2 -15.3 -44.6 26 32 A D S S+ 0 0 44 38,-2.6 32,-2.6 -2,-0.2 2,-0.3 -0.022 97.4 112.9 -79.0 39.3 21.3 -18.5 -43.6 27 33 A V B S-I 57 0C 1 -2,-1.8 30,-0.3 30,-0.3 -2,-0.1 -0.793 74.9-119.1-101.8 152.9 17.8 -17.0 -44.0 28 34 A E S S+ 0 0 101 28,-2.6 29,-0.1 -2,-0.3 -1,-0.1 0.920 103.3 19.6 -59.4 -50.0 15.5 -18.3 -46.8 29 35 A K S S- 0 0 171 27,-0.4 -1,-0.3 -5,-0.1 -6,-0.2 -0.849 82.7-146.3-125.4 91.8 15.1 -15.0 -48.7 30 36 A P - 0 0 59 0, 0.0 -6,-0.2 0, 0.0 -8,-0.0 -0.293 39.5 -89.3 -56.6 139.5 17.8 -12.5 -47.8 31 37 A S - 0 0 23 -8,-2.1 2,-0.3 1,-0.0 7,-0.1 -0.162 51.4-179.1 -54.4 141.0 16.5 -9.0 -47.8 32 38 A E + 0 0 142 5,-0.3 5,-0.2 1,-0.2 -9,-0.0 -0.877 49.8 48.5-132.0 168.9 16.6 -7.1 -51.1 33 39 A N S > S- 0 0 131 -2,-0.3 4,-2.7 3,-0.1 5,-0.3 0.981 95.3-103.1 63.9 64.3 15.6 -3.6 -52.3 34 40 A W T 4 S- 0 0 115 1,-0.3 -1,-0.1 2,-0.2 38,-0.0 -0.339 87.6 -1.5 -58.5 135.2 17.1 -1.5 -49.6 35 41 A P T >4 S+ 0 0 17 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.983 131.1 46.7 -94.3 -10.2 15.7 -0.2 -47.4 36 42 A N T 34 S+ 0 0 123 1,-0.3 -2,-0.2 36,-0.2 4,-0.2 0.667 96.1 72.2 -71.5 -21.6 12.0 -1.2 -48.0 37 43 A G T 3< S+ 0 0 38 -4,-2.7 -1,-0.3 -5,-0.2 -5,-0.3 0.578 77.9 107.6 -67.8 -11.1 12.7 -4.9 -48.6 38 44 A A S < S- 0 0 14 -3,-1.6 2,-0.8 -5,-0.3 -16,-0.2 -0.171 89.3 -95.2 -55.1 158.2 13.4 -5.2 -44.9 39 45 A L E -F 21 0B 79 -18,-2.8 -18,-3.2 1,-0.0 -1,-0.1 -0.766 49.3-123.1 -82.5 111.7 10.8 -7.0 -42.7 40 46 A S E > -F 20 0B 48 -2,-0.8 3,-0.6 -20,-0.3 -20,-0.3 -0.239 10.5-148.7 -62.5 139.9 8.7 -4.2 -41.3 41 47 A F G > S+ 0 0 1 -22,-3.1 3,-1.5 -25,-0.6 -24,-0.2 0.500 85.6 91.4 -80.7 -5.8 8.3 -3.7 -37.5 42 48 A K G 3 S+ 0 0 104 -23,-0.4 -1,-0.2 -26,-0.3 -25,-0.1 0.908 95.5 35.0 -53.7 -40.6 4.8 -2.3 -38.3 43 49 A D G < S+ 0 0 110 -3,-0.6 -1,-0.3 -27,-0.1 -2,-0.1 0.154 89.5 136.8-102.9 18.2 3.5 -5.9 -37.9 44 50 A A < - 0 0 13 -3,-1.5 9,-0.2 -28,-0.1 2,-0.2 -0.379 48.6-134.9 -61.7 136.4 5.9 -6.9 -35.1 45 51 A K E -C 52 0A 128 7,-1.6 7,-2.0 -2,-0.1 2,-0.3 -0.455 19.8-138.4 -86.2 168.0 4.3 -8.8 -32.2 46 52 A K E +C 51 0A 121 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.938 22.7 170.3-132.7 147.4 5.1 -7.9 -28.6 47 53 A D - 0 0 58 3,-2.6 3,-0.1 -2,-0.3 5,-0.0 -0.703 58.0 -65.9-135.8-163.5 5.9 -9.8 -25.4 48 54 A D S S+ 0 0 132 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.802 131.5 43.0 -54.7 -34.7 7.2 -8.9 -21.9 49 55 A Y S S- 0 0 26 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.828 120.7 -85.4 -86.3 -37.3 10.5 -7.9 -23.2 50 56 A G S S- 0 0 3 -3,-0.1 -3,-2.6 -40,-0.0 -1,-0.2 -0.969 70.7 -18.7 160.0-151.3 9.7 -5.9 -26.3 51 57 A Y E -AC 8 46A 45 -43,-1.6 -43,-2.9 -2,-0.3 2,-0.3 -0.358 52.0-165.5 -80.1 166.6 8.9 -6.6 -30.0 52 58 A Y E -AC 7 45A 39 -7,-2.0 -7,-1.6 -45,-0.3 2,-0.3 -0.978 9.0-167.9-151.3 149.0 9.7 -9.8 -32.0 53 59 A L E -A 6 0A 12 -47,-1.8 -47,-2.8 -2,-0.3 2,-0.5 -0.987 17.6-137.9-130.9 141.9 9.9 -10.8 -35.6 54 60 A D E -A 5 0A 53 -2,-0.3 2,-0.4 -49,-0.2 -49,-0.2 -0.904 17.1-160.8-106.2 128.3 10.2 -14.4 -37.0 55 61 A V E -A 4 0A 11 -51,-3.1 -51,-2.3 -2,-0.5 2,-0.3 -0.912 19.4-122.7-114.2 129.2 12.5 -15.0 -39.9 56 62 A K E -A 3 0A 36 -2,-0.4 -28,-2.6 -53,-0.2 -27,-0.4 -0.546 32.1-132.3 -73.5 128.3 12.3 -18.0 -42.1 57 63 A L B -I 27 0C 0 -55,-2.7 2,-1.9 -2,-0.3 -30,-0.3 -0.513 12.4-127.8 -86.3 149.0 15.6 -19.9 -42.2 58 64 A K - 0 0 126 -32,-2.6 2,-0.3 -2,-0.2 -31,-0.1 -0.463 69.2-134.9 -81.2 60.3 17.5 -21.2 -45.2 59 65 A G + 0 0 30 -2,-1.9 2,-0.2 -57,-0.2 -2,-0.1 -0.858 49.0 24.8-146.0 153.7 17.4 -24.4 -43.3 60 66 A E S S+ 0 0 74 -2,-0.3 3,-0.1 2,-0.0 0, 0.0 0.607 120.4 31.3 -85.5-174.8 18.8 -26.6 -42.5 61 67 A Q S S+ 0 0 166 -2,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.397 86.5 149.8 -92.4 68.5 21.6 -26.6 -42.1 62 68 A A + 0 0 4 1,-0.2 -1,-0.1 26,-0.1 3,-0.1 -0.350 5.0 150.1 -57.9 130.6 21.0 -22.9 -41.3 63 69 A K + 0 0 96 1,-0.3 22,-2.5 -5,-0.1 2,-0.5 0.549 51.1 55.9-139.3 -27.5 23.6 -21.8 -38.8 64 70 A K E - G 0 84B 86 20,-0.2 -38,-2.6 18,-0.0 2,-0.6 -0.951 53.1-176.3-122.3 119.1 24.3 -18.1 -39.2 65 71 A I E -EG 25 83B 0 18,-3.0 18,-2.6 -2,-0.5 2,-0.3 -0.949 9.2-173.3-111.7 116.5 21.6 -15.4 -39.1 66 72 A S E +EG 24 82B 0 -42,-1.9 -42,-2.2 -2,-0.6 2,-0.3 -0.848 15.6 149.7-111.5 148.7 22.8 -11.8 -39.8 67 73 A F E -EG 23 81B 3 14,-2.9 14,-2.7 -2,-0.3 2,-0.3 -0.982 24.5-166.8-165.6 164.4 20.7 -8.8 -39.4 68 74 A L E -E 22 0B 7 -46,-1.7 -46,-2.1 -2,-0.3 2,-0.5 -0.962 28.9-115.3-150.4 163.8 20.3 -5.1 -38.7 69 75 A I E +E 21 0B 1 10,-0.3 8,-1.8 -2,-0.3 9,-1.1 -0.943 41.1 173.0-101.1 128.6 17.5 -2.6 -38.0 70 76 A N E -EH 20 76B 4 -50,-2.1 -50,-1.8 -2,-0.5 2,-0.3 -0.645 21.4-130.7-118.9 177.3 17.1 0.0 -40.7 71 77 A N E -E 19 0B 13 4,-1.1 3,-0.3 -52,-0.2 -52,-0.2 -0.808 36.9 -91.3-127.9 173.8 14.6 2.8 -41.4 72 78 A T S S+ 0 0 78 -54,-1.5 2,-0.2 1,-0.3 -36,-0.2 0.636 115.6 44.1 -66.9 -18.9 12.6 3.9 -44.5 73 79 A A S S- 0 0 76 -55,-0.2 -1,-0.3 -38,-0.1 -39,-0.0 -0.503 121.1 -78.8-173.5 118.5 15.3 6.1 -45.4 74 80 A G + 0 0 32 -3,-0.3 2,-0.1 -2,-0.2 -2,-0.1 -0.804 69.9 128.3-146.6 53.0 17.7 5.0 -45.1 75 81 A K - 0 0 127 1,-0.1 -4,-1.1 2,-0.0 2,-1.0 -0.401 43.5-136.4 -90.7 145.9 19.8 4.3 -42.1 76 82 A N B -H 70 0B 66 -6,-0.2 -6,-0.2 1,-0.2 4,-0.1 -0.874 33.1-178.7 -92.3 98.5 21.5 1.3 -40.7 77 83 A L + 0 0 39 -8,-1.8 -7,-0.2 -2,-1.0 -1,-0.2 0.831 69.8 29.1 -72.5 -36.3 20.5 2.0 -37.1 78 84 A T S S- 0 0 14 -9,-1.1 -1,-0.2 1,-0.2 2,-0.1 0.749 100.9-119.8 -95.8 -24.9 22.1 -0.8 -35.2 79 85 A G - 0 0 28 -10,-0.3 -10,-0.3 2,-0.1 2,-0.3 -0.280 55.4 -47.2 88.7 166.6 25.2 -1.8 -37.2 80 86 A D - 0 0 104 -2,-0.1 2,-0.3 -12,-0.1 -12,-0.2 -0.565 62.9-174.7 -76.0 132.8 25.5 -5.3 -38.6 81 87 A K E -G 67 0B 54 -14,-2.7 -14,-2.9 -2,-0.3 2,-0.3 -0.912 6.8-169.2-124.6 154.4 24.8 -8.1 -36.2 82 88 A S E -G 66 0B 55 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.3 -0.987 6.4-162.5-140.5 145.2 25.1 -11.9 -36.5 83 89 A V E -G 65 0B 12 -18,-2.6 -18,-3.0 -2,-0.3 2,-0.5 -0.993 8.6-155.4-123.0 136.0 23.9 -14.8 -34.4 84 90 A E E -G 64 0B 112 -2,-0.4 -20,-0.2 -20,-0.2 2,-0.2 -0.957 25.8-117.8-108.3 125.6 25.3 -18.3 -34.8 85 91 A K - 0 0 5 -22,-2.5 6,-0.0 -2,-0.5 4,-0.0 -0.431 16.8-157.3 -57.2 124.8 23.1 -21.2 -33.8 86 92 A L S S+ 0 0 78 1,-0.3 -1,-0.2 -2,-0.2 -23,-0.0 0.907 82.4 2.6 -68.1 -43.7 25.0 -23.0 -30.9 87 93 A V S > S- 0 0 18 -3,-0.1 3,-1.7 128,-0.0 -1,-0.3 -0.922 86.2-101.0-135.0 160.1 22.9 -26.1 -31.7 88 94 A P T 3 S+ 0 0 89 0, 0.0 -26,-0.1 0, 0.0 -3,-0.0 0.763 119.8 56.9 -49.1 -31.6 20.4 -26.8 -34.5 89 95 A K T 3 S+ 0 0 132 124,-0.1 2,-0.3 2,-0.0 -4,-0.0 0.601 73.7 115.4 -83.0 -11.3 17.5 -26.3 -32.0 90 96 A M < + 0 0 4 -3,-1.7 -5,-0.1 1,-0.1 3,-0.1 -0.462 34.0 160.9 -59.4 119.3 18.5 -22.8 -31.1 91 97 A N + 0 0 78 -2,-0.3 -86,-3.1 1,-0.1 2,-0.3 0.285 45.4 49.1-131.6 4.9 15.6 -20.8 -32.4 92 98 A E E -b 5 0A 22 -88,-0.2 2,-0.3 11,-0.1 -86,-0.2 -0.997 48.6-175.8-148.3 148.5 15.6 -17.3 -30.7 93 99 A A E -b 6 0A 2 -88,-2.4 -86,-3.0 -2,-0.3 2,-0.4 -0.960 17.3-137.9-139.9 158.7 17.9 -14.5 -29.9 94 100 A W E -bD 7 102A 5 8,-2.2 8,-2.2 -2,-0.3 2,-0.5 -0.968 4.4-158.5-123.1 132.2 17.5 -11.2 -28.0 95 101 A L E -bD 8 101A 1 -88,-2.9 -86,-2.6 -2,-0.4 -85,-0.2 -0.944 19.3-156.3-105.2 121.0 18.7 -7.7 -28.9 96 102 A D > - 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