==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, CARBOHYDRATE 13-DEC-12 3W37 . COMPND 2 MOLECULE: ALPHA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BETA VULGARIS; . AUTHOR T.TAGAMI,K.YAMASHITA,M.OKUYAMA,H.MORI,M.YAO,A.KIMURA . 826 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 539 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 189 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 68 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 16.1 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 3 0 1 0 1 0 0 1 1 2 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 1 1 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 PARALLEL BRIDGES PER LADDER . 5 4 6 4 4 6 3 3 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 . 1 1 1 2 1 0 1 1 1 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 39 A E 0 0 181 0, 0.0 31,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 148.1 36.9 15.8 -13.8 2 40 A A - 0 0 34 1,-0.1 32,-0.4 32,-0.0 3,-0.1 -0.353 360.0-113.2 -64.7 153.9 37.5 13.1 -16.4 3 41 A I S S- 0 0 35 1,-0.2 2,-0.3 30,-0.1 29,-0.1 0.862 84.6 -34.0 -59.9 -36.4 35.2 10.0 -16.3 4 42 A G - 0 0 1 27,-0.1 -1,-0.2 1,-0.1 27,-0.1 -0.976 39.8-134.8-176.9 167.2 38.1 7.8 -15.3 5 43 A Y - 0 0 56 25,-0.6 26,-0.1 -2,-0.3 127,-0.1 0.527 45.2-139.6-115.0 -9.8 41.8 7.1 -15.6 6 44 A G - 0 0 3 24,-0.2 23,-2.9 97,-0.1 24,-0.5 -0.261 22.6 -66.9 82.6-170.6 41.9 3.4 -16.1 7 45 A Y E -A 28 0A 1 21,-0.2 97,-2.9 97,-0.2 2,-0.3 -0.853 25.3-145.7-128.7 155.4 44.2 0.6 -14.8 8 46 A Q E -A 27 0A 80 19,-2.5 19,-2.4 -2,-0.3 2,-0.5 -0.887 32.1-108.4-114.5 152.4 47.8 -0.6 -15.0 9 47 A V E -A 26 0A 23 92,-0.4 17,-0.2 -2,-0.3 3,-0.1 -0.664 31.2-179.3 -78.4 123.5 49.0 -4.2 -14.9 10 48 A K E S- 0 0 121 15,-3.3 2,-0.3 -2,-0.5 -1,-0.2 0.844 70.2 -15.0 -90.6 -39.4 50.7 -4.8 -11.6 11 49 A N E -A 25 0A 88 14,-1.3 14,-2.1 2,-0.0 -1,-0.4 -0.977 61.5-174.6-153.2 159.0 51.6 -8.5 -12.3 12 50 A A E +A 24 0A 28 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.969 5.1 174.6-156.0 142.5 50.5 -11.1 -14.8 13 51 A K E -A 23 0A 149 10,-2.2 10,-2.8 -2,-0.3 2,-0.6 -0.991 27.4-137.3-150.4 137.5 51.3 -14.8 -15.3 14 52 A V E -A 22 0A 33 -2,-0.3 2,-0.5 8,-0.2 8,-0.2 -0.869 40.4-115.9 -91.4 126.4 50.2 -17.6 -17.5 15 53 A D - 0 0 44 6,-3.1 6,-0.2 -2,-0.6 3,-0.2 -0.501 30.8-158.7 -66.4 113.9 49.8 -20.7 -15.3 16 54 A N S S+ 0 0 114 -2,-0.5 5,-0.1 1,-0.2 3,-0.1 -0.237 72.0 48.5 -72.7-179.8 52.3 -23.3 -16.3 17 55 A S S S+ 0 0 104 1,-0.1 2,-0.2 -2,-0.1 -1,-0.2 0.899 108.3 55.9 52.3 49.5 51.6 -26.9 -15.4 18 56 A T S S- 0 0 97 -3,-0.2 2,-0.9 3,-0.0 -1,-0.1 -0.832 110.3 -66.2 174.1 155.1 48.0 -26.9 -16.7 19 57 A G S S- 0 0 57 -2,-0.2 29,-0.1 1,-0.1 -4,-0.1 -0.593 87.4-101.6 -48.5 102.6 45.9 -26.2 -19.7 20 58 A K + 0 0 65 -2,-0.9 28,-0.6 68,-0.2 2,-0.3 0.099 48.6 176.8 -45.0 139.8 47.0 -22.6 -19.3 21 59 A S E - B 0 47A 11 -6,-0.2 -6,-3.1 26,-0.2 2,-0.4 -0.917 25.5-128.9-127.6 163.6 44.9 -19.8 -17.9 22 60 A L E -AB 14 46A 0 24,-3.1 24,-2.0 -2,-0.3 2,-0.4 -0.938 20.6-170.4-113.2 132.9 46.2 -16.2 -17.4 23 61 A T E +AB 13 45A 55 -10,-2.8 -10,-2.2 -2,-0.4 2,-0.3 -0.989 9.8 170.4-124.9 131.5 46.0 -14.3 -14.1 24 62 A A E -AB 12 44A 2 20,-2.9 20,-2.8 -2,-0.4 2,-0.5 -0.957 26.3-141.2-135.3 154.7 46.7 -10.6 -13.5 25 63 A L E -AB 11 43A 43 -14,-2.1 -15,-3.3 -2,-0.3 -14,-1.3 -0.975 21.7-162.5-113.5 126.0 46.3 -8.0 -10.8 26 64 A L E -AB 9 42A 0 16,-3.0 16,-2.2 -2,-0.5 2,-0.4 -0.866 1.5-156.6-108.0 145.0 45.4 -4.6 -12.0 27 65 A Q E -AB 8 41A 56 -19,-2.4 -19,-2.5 -2,-0.4 14,-0.2 -0.974 25.5-108.5-123.2 138.4 45.7 -1.4 -10.0 28 66 A L E -A 7 0A 14 12,-2.9 -21,-0.2 -2,-0.4 3,-0.1 -0.298 19.1-151.4 -60.7 133.1 43.8 1.9 -10.5 29 67 A I S S- 0 0 60 -23,-2.9 2,-0.3 1,-0.3 -1,-0.1 0.929 72.8 -19.4 -73.3 -43.8 45.8 4.7 -12.0 30 68 A R - 0 0 146 -24,-0.5 -25,-0.6 2,-0.0 -1,-0.3 -0.970 68.9-110.1-165.2 141.6 43.9 7.5 -10.3 31 69 A N - 0 0 108 -2,-0.3 -27,-0.1 -3,-0.1 9,-0.0 -0.446 25.5-166.3 -78.1 154.8 40.5 8.0 -8.7 32 70 A S - 0 0 6 4,-0.2 6,-0.2 2,-0.1 -29,-0.0 -0.999 19.7-145.7-135.3 140.2 37.7 10.1 -10.2 33 71 A P > + 0 0 85 0, 0.0 3,-1.6 0, 0.0 2,-0.1 0.712 68.2 107.4 -77.4 -15.5 34.5 11.3 -8.5 34 72 A V T 3 S+ 0 0 39 -32,-0.4 -2,-0.1 1,-0.3 -32,-0.0 -0.423 92.2 2.5 -67.9 134.5 32.4 11.0 -11.6 35 73 A Y T 3 S- 0 0 72 400,-0.2 101,-0.5 -2,-0.1 -1,-0.3 0.565 120.2 -80.8 63.3 14.6 30.0 8.0 -11.4 36 74 A G S < S- 0 0 23 -3,-1.6 -4,-0.2 399,-0.1 2,-0.1 -0.323 82.4 -2.6 100.5-174.6 31.0 7.0 -7.9 37 75 A P - 0 0 96 0, 0.0 98,-2.2 0, 0.0 2,-0.2 -0.308 60.7-137.5 -62.7 122.7 33.8 5.0 -6.2 38 76 A D B -H 134 0B 16 96,-0.2 2,-0.5 -6,-0.2 96,-0.3 -0.512 22.6-115.8 -69.9 143.5 36.4 3.4 -8.4 39 77 A I - 0 0 17 94,-2.9 94,-0.1 -2,-0.2 3,-0.1 -0.743 24.6-153.0 -79.3 123.9 37.5 -0.2 -7.5 40 78 A Q S S+ 0 0 108 -2,-0.5 -12,-2.9 1,-0.2 2,-0.4 0.884 73.1 28.7 -73.9 -40.3 41.2 0.1 -6.5 41 79 A F E -B 27 0A 41 -14,-0.2 20,-2.7 -34,-0.1 21,-0.5 -0.987 67.5-166.6-127.7 129.4 42.4 -3.4 -7.4 42 80 A L E -BC 26 60A 0 -16,-2.2 -16,-3.0 -2,-0.4 2,-0.5 -0.901 15.9-142.9-114.3 138.2 41.0 -5.8 -10.0 43 81 A S E -BC 25 59A 33 16,-2.5 16,-2.2 -2,-0.4 2,-0.5 -0.874 24.2-168.3 -91.1 132.4 41.6 -9.5 -10.4 44 82 A F E +BC 24 58A 0 -20,-2.8 -20,-2.9 -2,-0.5 2,-0.4 -0.984 8.8 174.9-125.9 119.7 41.8 -10.2 -14.2 45 83 A T E -BC 23 57A 11 12,-2.5 12,-2.4 -2,-0.5 2,-0.4 -0.973 15.0-169.5-124.6 144.9 41.7 -13.7 -15.6 46 84 A A E +BC 22 56A 0 -24,-2.0 -24,-3.1 -2,-0.4 2,-0.3 -0.998 23.9 158.6-122.8 136.0 41.5 -15.1 -19.1 47 85 A S E -BC 21 55A 12 8,-2.0 8,-3.3 -2,-0.4 2,-0.5 -0.992 40.3-115.1-154.1 153.3 40.9 -18.9 -19.4 48 86 A F E - C 0 54A 27 -28,-0.6 6,-0.2 -2,-0.3 3,-0.1 -0.816 20.3-176.7 -92.9 128.8 39.6 -21.4 -22.0 49 87 A E E S- 0 0 39 4,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.905 80.8 -7.6 -88.7 -48.6 36.4 -23.1 -21.0 50 88 A E E > S- C 0 53A 108 3,-0.8 3,-1.2 200,-0.0 -1,-0.4 -0.783 89.7 -91.8-124.2 179.2 36.4 -25.3 -24.0 51 89 A D T 3 S+ 0 0 81 -2,-0.3 43,-0.5 1,-0.2 42,-0.3 0.796 128.5 44.7 -57.0 -24.5 38.8 -25.0 -27.0 52 90 A D T 3 S+ 0 0 41 40,-0.1 188,-3.1 1,-0.1 2,-0.4 0.343 104.2 67.0-108.5 7.9 36.2 -22.7 -28.6 53 91 A T E < -CD 50 239A 6 -3,-1.2 -4,-2.3 186,-0.2 -3,-0.8 -0.985 57.2-166.4-134.3 124.5 35.2 -20.5 -25.7 54 92 A L E -CD 48 238A 0 184,-2.8 184,-2.7 -2,-0.4 2,-0.5 -0.911 9.1-157.4-108.3 137.0 37.4 -17.9 -24.0 55 93 A R E -CD 47 237A 3 -8,-3.3 -8,-2.0 -2,-0.4 2,-0.5 -0.945 6.9-170.4-117.7 126.5 36.3 -16.4 -20.7 56 94 A I E -CD 46 236A 0 180,-3.3 180,-3.1 -2,-0.5 2,-0.5 -0.963 10.8-175.6-116.8 118.8 37.6 -13.0 -19.4 57 95 A R E -CD 45 235A 37 -12,-2.4 -12,-2.5 -2,-0.5 2,-0.5 -0.950 8.1-175.5-124.7 124.6 36.6 -12.3 -15.8 58 96 A I E +CD 44 234A 0 176,-2.9 176,-1.8 -2,-0.5 2,-0.3 -0.969 17.1 159.0-126.1 115.7 37.3 -9.0 -14.0 59 97 A T E -C 43 0A 15 -16,-2.2 -16,-2.5 -2,-0.5 2,-0.5 -0.772 51.5 -82.2-128.0 168.1 36.4 -8.8 -10.4 60 98 A D E > -C 42 0A 20 3,-0.4 3,-0.7 -2,-0.3 -18,-0.3 -0.653 38.1-143.7 -71.4 123.3 37.3 -6.7 -7.4 61 99 A A T 3 S+ 0 0 41 -20,-2.7 -1,-0.2 -2,-0.5 -19,-0.2 0.768 96.0 38.2 -61.4 -23.9 40.5 -8.3 -6.1 62 100 A N T 3 S+ 0 0 111 -21,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.472 117.2 36.5-111.4 -9.2 39.5 -7.6 -2.5 63 101 A N S < S- 0 0 103 -3,-0.7 -3,-0.4 0, 0.0 -1,-0.2 -0.993 74.4-113.9-147.8 141.7 35.8 -8.2 -2.4 64 102 A R - 0 0 225 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.0 -0.476 36.4-164.1 -63.4 142.4 33.1 -10.5 -3.8 65 103 A R - 0 0 27 -2,-0.1 2,-0.1 -5,-0.1 168,-0.1 -0.797 34.2 -69.9-122.0 169.5 30.7 -8.6 -6.1 66 104 A W + 0 0 31 -2,-0.3 2,-0.3 166,-0.1 167,-0.2 -0.362 54.4 170.3 -61.5 132.9 27.2 -9.6 -7.5 67 105 A E - 0 0 47 165,-0.1 145,-0.1 -2,-0.1 3,-0.1 -0.987 47.5 -89.9-136.7 152.7 27.2 -12.4 -10.0 68 106 A I - 0 0 2 -2,-0.3 5,-0.1 143,-0.3 399,-0.0 -0.371 60.6-104.7 -59.5 125.9 24.3 -14.3 -11.5 69 107 A P >> - 0 0 39 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.250 15.6-129.2 -59.4 146.2 24.0 -17.2 -9.1 70 108 A N T 34 S+ 0 0 92 1,-0.3 -2,-0.1 2,-0.2 0, 0.0 0.851 109.6 60.6 -61.8 -32.3 25.2 -20.6 -10.3 71 109 A E T 34 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.825 108.1 43.6 -65.6 -25.3 22.0 -22.1 -9.3 72 110 A V T <4 S+ 0 0 6 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.874 134.9 13.6 -84.3 -40.1 20.2 -19.8 -11.7 73 111 A L S < S- 0 0 5 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 -0.746 83.8-150.3-140.9 84.0 22.6 -20.2 -14.6 74 112 A P + 0 0 68 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.328 32.7 144.5 -68.1 136.9 24.9 -23.2 -14.0 75 113 A R - 0 0 31 -2,-0.1 179,-0.1 180,-0.0 -2,-0.1 -0.981 53.7 -64.6-165.4 160.9 28.4 -22.9 -15.6 76 114 A P - 0 0 58 0, 0.0 -27,-0.0 0, 0.0 178,-0.0 -0.276 58.1-110.8 -58.7 142.6 32.0 -23.8 -15.0 77 115 A P - 0 0 108 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.215 41.7 -84.6 -67.2 160.4 33.6 -22.0 -12.0 78 116 A P - 0 0 46 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.195 59.2 -83.6 -60.8 158.1 36.3 -19.3 -12.4 79 117 A P 0 0 25 0, 0.0 -32,-0.0 0, 0.0 -58,-0.0 -0.276 360.0 360.0 -64.3 153.9 39.9 -20.5 -12.9 80 118 A P 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.975 360.0 360.0 -71.5 360.0 41.9 -21.3 -9.7 81 ! 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 82 138 A P 0 0 124 0, 0.0 2,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0-125.5 55.9 -2.6 -24.2 83 139 A T - 0 0 89 17,-0.4 17,-2.5 16,-0.1 2,-0.3 -0.458 360.0-173.6 -76.4 144.5 55.4 -5.8 -22.4 84 140 A T E -I 99 0B 62 15,-0.2 2,-0.5 -2,-0.1 15,-0.2 -0.971 17.4-148.8-130.2 155.7 52.7 -8.3 -23.3 85 141 A T E -I 98 0B 23 13,-2.1 13,-2.6 -2,-0.3 2,-0.4 -0.984 20.7-158.3-122.5 119.0 51.4 -11.5 -21.8 86 142 A V E -I 97 0B 62 -2,-0.5 2,-0.5 11,-0.2 11,-0.2 -0.813 9.7-167.2-103.6 135.4 50.1 -14.0 -24.3 87 143 A L E +I 96 0B 0 9,-2.8 9,-2.6 -2,-0.4 2,-0.3 -0.969 22.3 151.5-118.2 118.8 47.6 -16.9 -23.6 88 144 A S - 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