==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-04 1U8X . COMPND 2 MOLECULE: MALTOSE-6'-PHOSPHATE GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.S.RAJAN,X.YANG,F.COLLART,W.F.ANDERSON,MIDWEST CENTER FOR S . 436 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 2 0 1 1 0 3 2 1 2 1 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 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 PARALLEL BRIDGES PER LADDER . 3 1 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 1 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 3 X K 0 0 236 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -32.8 0.7 80.3 42.4 2 4 X K + 0 0 125 29,-0.1 2,-0.3 0, 0.0 0, 0.0 0.203 360.0 166.3 -96.3 140.5 0.7 81.3 39.5 3 5 X S - 0 0 15 27,-0.1 2,-0.3 -2,-0.1 29,-0.3 -0.900 25.2-131.3-124.0 147.2 4.1 79.9 38.6 4 6 X F E -a 32 0A 12 27,-2.2 29,-1.8 -2,-0.3 30,-1.2 -0.678 1.7-142.8-108.6 146.5 5.7 79.6 35.2 5 7 X S E -a 34 0A 0 -2,-0.3 74,-3.1 28,-0.2 75,-1.6 -0.926 27.8-177.2-104.1 130.2 7.5 76.7 33.5 6 8 X I E -ab 35 80A 0 28,-2.2 30,-2.5 -2,-0.5 2,-0.4 -0.964 18.1-163.1-133.3 141.2 10.4 77.8 31.3 7 9 X V E -ab 36 81A 0 73,-2.1 75,-2.6 -2,-0.4 2,-0.7 -0.996 12.4-148.8-123.8 129.7 12.9 76.2 29.0 8 10 X I E -ab 37 82A 0 28,-2.9 30,-2.8 -2,-0.4 2,-0.5 -0.908 11.8-152.6 -94.3 112.0 16.1 77.9 27.9 9 11 X A E S+ab 38 83A 0 73,-2.3 75,-2.5 -2,-0.7 30,-0.2 -0.808 84.3 40.0 -86.1 128.8 17.1 76.7 24.5 10 12 X G > + 0 0 5 28,-2.8 3,-1.1 -2,-0.5 6,-0.3 0.741 69.5 161.3 92.4 44.6 20.9 77.0 24.2 11 13 X G T 3 + 0 0 0 27,-2.6 28,-0.2 -3,-0.4 5,-0.1 0.833 68.2 62.1 -68.8 -35.0 21.5 75.7 27.7 12 14 X G T 3 S+ 0 0 15 26,-0.2 -1,-0.3 36,-0.1 2,-0.1 0.058 85.7 110.7 -76.3 24.3 25.2 74.9 26.9 13 15 X S S < S- 0 0 30 -3,-1.1 72,-0.1 1,-0.1 -3,-0.0 -0.275 76.6-126.4 -83.7 177.3 25.7 78.6 26.2 14 16 X T S S+ 0 0 6 2,-0.1 4,-0.4 1,-0.1 -1,-0.1 0.393 106.5 62.8-108.2 -0.9 27.8 80.9 28.4 15 17 X F S > S+ 0 0 74 -5,-0.2 4,-1.3 69,-0.2 5,-0.2 0.732 88.0 72.1 -82.8 -27.1 25.0 83.4 28.7 16 18 X T H > S+ 0 0 0 -6,-0.3 4,-2.8 1,-0.2 3,-0.3 0.874 90.8 53.8 -68.4 -37.9 22.7 80.9 30.5 17 19 X P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.952 110.5 50.5 -56.7 -48.2 24.5 80.8 33.9 18 20 X G H > S+ 0 0 8 -4,-0.4 292,-1.4 1,-0.2 4,-1.3 0.764 114.2 42.9 -54.4 -34.3 24.2 84.6 33.9 19 21 X I H X S+ 0 0 1 -4,-1.3 4,-3.5 -3,-0.3 -1,-0.2 0.822 108.0 55.1 -91.8 -34.0 20.4 84.5 33.1 20 22 X V H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.949 111.7 50.0 -52.9 -46.9 19.4 81.7 35.5 21 23 X L H X S+ 0 0 21 -4,-2.0 4,-1.6 -5,-0.3 3,-0.4 0.933 111.8 45.3 -55.9 -49.3 21.1 83.9 38.0 22 24 X X H X S+ 0 0 0 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.909 110.1 55.1 -64.5 -40.8 19.1 86.9 36.8 23 25 X L H < S+ 0 0 3 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.758 106.5 52.1 -60.2 -28.2 15.9 84.8 36.8 24 26 X L H >< S+ 0 0 7 -4,-1.6 3,-1.1 -3,-0.4 -1,-0.2 0.852 106.9 51.8 -76.6 -36.0 16.5 83.9 40.5 25 27 X D H 3< S+ 0 0 63 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.774 110.1 50.1 -69.5 -25.3 16.9 87.6 41.5 26 28 X H T 3X S+ 0 0 18 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.056 75.5 115.1-101.8 25.2 13.6 88.4 39.8 27 29 X L T <4 + 0 0 38 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.716 69.3 58.3 -72.8 -24.5 11.6 85.5 41.5 28 30 X E T 4 S+ 0 0 147 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.949 115.7 33.4 -66.3 -51.1 9.3 87.8 43.5 29 31 X E T 4 S+ 0 0 81 1,-0.3 -2,-0.2 -3,-0.1 -1,-0.2 0.578 134.9 27.7 -86.3 -9.2 7.9 89.6 40.4 30 32 X F S < S- 0 0 1 -4,-1.2 -1,-0.3 -7,-0.1 -2,-0.1 -0.625 80.5-161.3-153.8 83.6 8.1 86.4 38.1 31 33 X P - 0 0 29 0, 0.0 -27,-2.2 0, 0.0 2,-0.4 -0.433 5.2-154.7 -75.4 145.5 7.8 83.1 40.1 32 34 X I E +a 4 0A 16 -29,-0.3 -27,-0.2 -2,-0.1 3,-0.1 -0.951 24.8 175.6-126.0 135.0 9.0 79.8 38.5 33 35 X R E S+ 0 0 90 -29,-1.8 31,-2.6 -2,-0.4 2,-0.3 0.677 78.3 25.3-100.9 -30.5 8.0 76.2 39.2 34 36 X K E -ac 5 64A 30 -30,-1.2 -28,-2.2 29,-0.2 2,-0.4 -1.000 56.4-178.4-141.5 138.0 10.1 74.5 36.5 35 37 X L E -ac 6 65A 4 29,-2.8 31,-1.7 -2,-0.3 2,-0.3 -0.964 12.0-179.0-138.8 116.5 13.3 75.5 34.6 36 38 X K E -ac 7 66A 15 -30,-2.5 -28,-2.9 -2,-0.4 2,-0.5 -0.887 17.5-144.8-119.2 150.9 14.7 73.3 31.9 37 39 X L E -ac 8 67A 0 29,-2.4 31,-2.3 -2,-0.3 2,-0.4 -0.934 15.4-169.0-112.4 131.0 17.8 73.5 29.8 38 40 X Y E +ac 9 68A 16 -30,-2.8 -28,-2.8 -2,-0.5 -27,-2.6 -0.992 18.7 145.4-122.2 135.1 17.8 72.3 26.2 39 41 X D - 0 0 20 29,-1.3 3,-0.1 -2,-0.4 -2,-0.0 -0.964 47.2-128.6-153.8 161.5 20.9 71.9 24.0 40 42 X N S S+ 0 0 121 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.836 96.0 61.0 -83.3 -32.8 22.0 69.5 21.2 41 43 X D > - 0 0 33 1,-0.1 4,-1.5 2,-0.0 3,-0.4 -0.844 69.1-159.8 -98.2 115.7 25.4 68.7 22.7 42 44 X K H > S+ 0 0 134 -2,-0.6 4,-3.2 1,-0.2 5,-0.2 0.899 83.6 54.7 -57.2 -47.2 25.2 67.0 26.2 43 45 X E H > S+ 0 0 155 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.762 107.6 47.8 -74.3 -25.6 28.7 67.7 27.5 44 46 X R H > S+ 0 0 109 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.939 118.9 39.9 -71.3 -50.0 28.6 71.5 27.1 45 47 X Q H X S+ 0 0 0 -4,-1.5 4,-3.8 2,-0.2 5,-0.2 0.904 109.9 59.4 -65.6 -44.1 25.2 71.9 28.7 46 48 X D H X S+ 0 0 45 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.897 106.8 47.8 -52.6 -40.9 25.8 69.3 31.4 47 49 X R H X S+ 0 0 111 -4,-0.9 4,-0.6 -5,-0.2 -1,-0.2 0.862 115.6 43.6 -76.3 -32.9 28.7 71.4 32.7 48 50 X I H >X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 3,-1.0 0.897 111.5 56.6 -66.1 -42.6 26.7 74.6 32.6 49 51 X A H 3X S+ 0 0 9 -4,-3.8 4,-2.9 1,-0.3 -2,-0.2 0.784 97.2 62.2 -66.0 -27.4 23.7 72.6 34.2 50 52 X G H 3X S+ 0 0 10 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.3 0.821 108.2 42.2 -67.3 -33.2 25.9 71.6 37.2 51 53 X A H < + 0 0 8 -4,-2.0 3,-1.7 -5,-0.4 -1,-0.2 -0.492 59.5 168.7-152.8 75.0 14.9 78.3 45.4 61 63 X P T 3 S+ 0 0 86 0, 0.0 4,-0.2 0, 0.0 -4,-0.1 0.769 72.6 72.6 -64.9 -26.7 15.3 74.5 45.7 62 64 X D T 3 S+ 0 0 148 -6,-0.1 2,-0.5 -5,-0.1 -5,-0.1 0.581 74.4 101.0 -68.9 -8.3 11.5 73.9 45.2 63 65 X I S < S- 0 0 9 -3,-1.7 2,-0.5 -7,-0.2 -29,-0.2 -0.691 81.5-124.7 -72.0 123.1 12.0 74.8 41.5 64 66 X E E -c 34 0A 115 -31,-2.6 -29,-2.8 -2,-0.5 2,-0.4 -0.601 34.2-168.9 -68.6 120.0 12.2 71.7 39.4 65 67 X F E +c 35 0A 39 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.939 14.7 157.4-116.0 137.3 15.4 71.8 37.4 66 68 X A E -c 36 0A 40 -31,-1.7 -29,-2.4 -2,-0.4 2,-0.4 -0.986 25.0-153.6-152.5 149.9 16.6 69.6 34.5 67 69 X A E +c 37 0A 32 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.972 29.7 161.1-117.7 136.2 19.0 69.7 31.6 68 70 X T E -c 38 0A 16 -31,-2.3 -29,-1.3 -2,-0.4 -57,-0.2 -0.981 43.0-152.4-152.4 157.7 18.3 67.5 28.6 69 71 X T S S+ 0 0 59 -2,-0.3 -31,-0.1 -31,-0.2 -1,-0.1 0.261 73.0 100.5-112.4 8.1 19.1 67.0 24.9 70 72 X D > - 0 0 67 1,-0.1 4,-2.3 2,-0.0 3,-0.2 -0.845 65.9-147.1 -99.4 119.9 15.7 65.4 24.1 71 73 X P H > S+ 0 0 23 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.843 95.7 50.2 -52.4 -41.9 13.1 67.7 22.5 72 74 X E H > S+ 0 0 110 2,-0.2 4,-1.1 1,-0.2 -2,-0.0 0.902 111.8 46.8 -69.4 -42.6 10.1 66.1 24.1 73 75 X E H 4 S+ 0 0 123 -3,-0.2 3,-0.2 1,-0.2 -1,-0.2 0.930 118.6 44.3 -58.4 -45.5 11.5 66.3 27.6 74 76 X A H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 119.6 35.0 -68.8 -44.2 12.6 69.9 27.1 75 77 X F H < S+ 0 0 0 -4,-2.7 3,-0.5 -5,-0.2 2,-0.3 0.363 89.3 103.9-107.0 3.7 9.5 71.4 25.4 76 78 X T S < S+ 0 0 55 -4,-1.1 61,-0.2 1,-0.2 60,-0.0 -0.634 90.1 5.5 -82.5 141.8 6.6 69.6 27.1 77 79 X D S S+ 0 0 71 59,-0.7 2,-0.3 -2,-0.3 -1,-0.2 0.918 93.0 136.3 49.2 56.7 4.7 71.6 29.7 78 80 X V - 0 0 7 -3,-0.5 -72,-0.2 55,-0.1 -1,-0.2 -0.964 42.4-164.6-123.2 152.0 6.4 75.0 29.3 79 81 X D S S+ 0 0 43 -74,-3.1 62,-1.9 -2,-0.3 2,-0.3 0.717 79.5 24.9 -94.7 -34.7 4.9 78.5 29.2 80 82 X F E -bd 6 141A 5 -75,-1.6 -73,-2.1 60,-0.2 2,-0.5 -0.993 58.5-155.7-134.4 143.1 8.0 80.3 27.7 81 83 X V E -bd 7 142A 0 60,-2.3 62,-3.2 -2,-0.3 2,-0.7 -0.983 10.4-161.1-110.8 119.0 11.0 79.3 25.7 82 84 X X E -bd 8 143A 1 -75,-2.6 -73,-2.3 -2,-0.5 2,-0.5 -0.928 16.4-166.0 -98.9 116.4 14.0 81.6 26.1 83 85 X A E +bd 9 144A 0 60,-2.3 62,-2.2 -2,-0.7 63,-0.7 -0.925 30.4 153.1-112.5 119.9 16.2 81.0 23.1 84 86 X H + 0 0 18 -75,-2.5 2,-0.3 -2,-0.5 -69,-0.2 -0.522 25.6 159.1-135.3 66.4 19.8 82.2 22.8 85 87 X I - 0 0 25 -72,-0.1 2,-0.4 37,-0.1 62,-0.2 -0.641 27.6-159.9 -87.3 150.5 21.2 79.6 20.4 86 88 X R > - 0 0 60 -2,-0.3 3,-2.1 60,-0.1 2,-0.1 -0.832 13.2-149.4-130.9 87.5 24.3 80.3 18.4 87 89 X V T 3 S+ 0 0 32 -2,-0.4 35,-0.1 1,-0.3 34,-0.1 -0.410 87.5 15.2 -61.2 131.5 24.4 78.0 15.4 88 90 X G T 3> S- 0 0 12 33,-0.1 4,-1.5 -2,-0.1 3,-0.4 0.242 104.8-134.6 86.0 -13.3 28.1 77.3 14.6 89 91 X K H X> - 0 0 92 -3,-2.1 4,-1.6 1,-0.2 3,-0.6 0.046 51.3 -40.6 58.3-167.7 29.2 78.7 18.0 90 92 X Y H 3> S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.700 131.8 68.3 -68.5 -20.5 32.2 81.1 18.5 91 93 X A H 3> S+ 0 0 67 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.918 106.5 39.1 -62.9 -44.4 34.3 79.2 15.9 92 94 X X H < S+ 0 0 10 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.952 109.6 41.0 -57.7 -53.8 36.6 86.6 6.2 100 102 X P H >4>S+ 0 0 0 0, 0.0 5,-2.1 0, 0.0 3,-1.6 0.862 109.3 60.8 -60.1 -37.8 35.2 90.1 5.4 101 103 X L H ><5S+ 0 0 14 -4,-1.2 3,-1.5 1,-0.3 -2,-0.2 0.805 91.4 67.0 -61.6 -31.6 38.1 91.8 7.1 102 104 X K T <<5S+ 0 0 143 -4,-1.4 -1,-0.3 -3,-0.6 -3,-0.1 0.712 107.0 42.4 -60.6 -22.6 40.6 90.1 4.7 103 105 X Y T < 5S- 0 0 75 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.292 125.6 -98.3-107.4 5.2 39.0 92.3 2.0 104 106 X G T < 5S+ 0 0 48 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.705 82.6 129.7 88.3 20.3 38.8 95.5 3.9 105 107 X V < - 0 0 1 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.2 -0.892 68.8 -84.1-118.3 144.2 35.1 95.0 4.9 106 108 X V - 0 0 2 302,-0.4 2,-0.6 -2,-0.4 8,-0.5 -0.111 37.7-161.2 -46.6 125.4 33.4 95.2 8.2 107 109 X G + 0 0 11 160,-0.2 2,-0.3 -7,-0.1 -10,-0.2 -0.950 31.4 141.6-116.6 106.3 33.6 92.0 10.2 108 110 X Q - 0 0 18 3,-0.7 7,-0.1 -2,-0.6 6,-0.0 -0.987 58.3-114.0-152.4 148.8 31.0 91.9 12.9 109 111 X E S S+ 0 0 20 -2,-0.3 9,-0.2 1,-0.2 -1,-0.1 0.831 110.9 8.0 -55.0 -46.3 28.6 89.4 14.5 110 112 X T S S+ 0 0 16 8,-0.1 2,-0.3 7,-0.1 -1,-0.2 0.544 117.8 71.1-118.0 -9.7 25.3 90.9 13.3 111 113 X C S >> S- 0 0 1 4,-0.1 -3,-0.7 297,-0.0 4,-0.6 -0.855 92.4 -2.6-116.1 148.1 26.3 93.7 10.8 112 114 X G H >> S- 0 0 4 -2,-0.3 4,-1.8 1,-0.2 3,-0.7 -0.267 119.0 -29.0 69.6-164.5 27.7 93.4 7.3 113 115 X P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.794 137.3 59.0 -57.3 -32.0 28.6 90.1 5.6 114 116 X G H <> S+ 0 0 0 -3,-0.5 4,-2.0 -8,-0.5 -2,-0.2 0.875 106.9 47.8 -63.0 -39.1 29.4 88.4 9.0 115 117 X G H < + 0 0 11 -4,-3.1 3,-2.0 -5,-0.3 -1,-0.2 -0.542 65.8 177.6-137.9 77.3 3.6 73.1 24.0 138 140 X P T 3 S+ 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.659 78.4 51.1 -56.6 -21.0 1.4 74.7 21.3 139 141 X D T 3 S+ 0 0 132 -61,-0.1 -5,-0.1 -6,-0.1 2,-0.1 0.434 86.7 105.9-100.9 1.4 0.3 77.7 23.6 140 142 X A < - 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