==== 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 3W38 . 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) . 28487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 66.6 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 . 193 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 7 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 . 83 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 1 0 0 1 0 0 1 1 2 2 0 2 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 4 6 4 5 4 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 0 174 0, 0.0 2,-0.2 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 165.1 36.6 15.2 -13.8 2 40 A A - 0 0 29 1,-0.1 32,-0.4 32,-0.0 3,-0.1 -0.529 360.0-119.6 -68.9 145.0 37.2 12.2 -16.0 3 41 A I S S- 0 0 33 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.861 87.1 -25.0 -55.7 -38.6 34.7 9.3 -15.7 4 42 A G - 0 0 0 27,-0.1 -1,-0.2 1,-0.1 27,-0.1 -0.973 45.1-138.4-167.3 167.5 37.6 7.0 -14.7 5 43 A Y - 0 0 52 25,-0.6 26,-0.1 -2,-0.3 127,-0.1 0.509 47.0-143.1-114.3 -11.7 41.4 6.6 -15.0 6 44 A G - 0 0 2 24,-0.2 23,-2.7 97,-0.1 24,-0.5 -0.222 20.8 -60.4 85.5-167.0 41.5 2.8 -15.6 7 45 A Y E -A 28 0A 1 21,-0.2 97,-3.4 124,-0.2 2,-0.3 -0.857 26.4-149.9-125.2 152.0 43.8 0.1 -14.5 8 46 A Q E -A 27 0A 87 19,-2.5 19,-2.4 -2,-0.3 2,-0.7 -0.864 34.0-106.9-109.7 153.8 47.5 -1.0 -14.9 9 47 A V E -A 26 0A 24 92,-0.4 17,-0.2 -2,-0.3 3,-0.1 -0.707 31.8-178.3 -80.4 118.9 48.7 -4.6 -14.9 10 48 A K E - 0 0 121 15,-2.7 2,-0.3 -2,-0.7 -1,-0.2 0.911 69.4 -18.8 -82.5 -46.6 50.4 -5.2 -11.5 11 49 A N E -A 25 0A 91 14,-1.4 14,-2.4 2,-0.0 -1,-0.4 -0.980 61.4-169.9-152.6 165.4 51.4 -8.8 -12.4 12 50 A A E +A 24 0A 31 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.927 6.2 173.1-161.1 133.8 50.4 -11.6 -14.8 13 51 A K E -A 23 0A 155 10,-2.9 10,-2.7 -2,-0.3 2,-0.8 -0.995 36.5-116.8-144.0 147.5 51.1 -15.3 -15.4 14 52 A V E -A 22 0A 25 -2,-0.3 8,-0.3 8,-0.2 -2,-0.0 -0.740 29.2-145.9 -81.4 112.8 50.1 -18.2 -17.6 15 53 A D + 0 0 69 6,-2.7 -1,-0.2 -2,-0.8 7,-0.1 0.833 37.2 172.9 -53.6 -43.5 48.6 -20.6 -15.0 16 54 A N + 0 0 77 5,-0.6 3,-0.4 1,-0.1 -1,-0.1 -0.152 22.7 119.2 71.1-160.9 49.8 -23.7 -16.9 17 55 A S S S- 0 0 100 1,-0.2 -1,-0.1 3,-0.1 4,-0.0 -0.292 96.4 -33.6 77.8-175.5 49.7 -27.3 -16.0 18 56 A T S S+ 0 0 153 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.832 141.9 45.6 -38.8 -42.4 47.8 -29.9 -18.2 19 57 A G S S- 0 0 36 -3,-0.4 -1,-0.2 -4,-0.0 2,-0.0 -0.927 89.1-132.1-114.1 116.0 45.3 -27.1 -18.8 20 58 A K + 0 0 71 -2,-0.5 28,-0.6 -5,-0.1 2,-0.3 -0.293 32.6 164.4 -66.7 139.9 46.5 -23.6 -19.8 21 59 A S E - B 0 47A 6 26,-0.1 -6,-2.7 67,-0.1 -5,-0.6 -0.970 28.5-133.0-147.3 163.1 45.0 -20.5 -18.0 22 60 A L E -AB 14 46A 0 24,-2.5 24,-2.2 -2,-0.3 2,-0.5 -0.955 20.1-177.3-127.3 118.0 45.9 -16.8 -17.5 23 61 A T E +AB 13 45A 50 -10,-2.7 -10,-2.9 -2,-0.5 2,-0.3 -0.937 7.4 170.3-114.2 131.6 45.8 -15.0 -14.2 24 62 A A E -AB 12 44A 3 20,-3.0 20,-2.8 -2,-0.5 2,-0.5 -0.969 25.8-141.8-136.6 156.9 46.5 -11.4 -13.7 25 63 A L E -AB 11 43A 47 -14,-2.4 -15,-2.7 -2,-0.3 -14,-1.4 -0.969 22.0-162.0-115.9 123.8 46.2 -8.8 -10.9 26 64 A L E -AB 9 42A 0 16,-3.3 16,-2.6 -2,-0.5 2,-0.4 -0.850 2.0-155.9-111.6 145.4 45.1 -5.3 -11.9 27 65 A Q E -AB 8 41A 65 -19,-2.4 -19,-2.5 -2,-0.4 14,-0.2 -0.962 24.2-111.8-125.5 132.6 45.5 -2.0 -9.9 28 66 A L E -A 7 0A 12 12,-3.0 -21,-0.2 -2,-0.4 3,-0.1 -0.314 17.9-152.8 -59.2 130.4 43.5 1.1 -10.1 29 67 A I S S- 0 0 64 -23,-2.7 2,-0.3 1,-0.3 -1,-0.1 0.934 72.9 -19.9 -70.6 -46.4 45.5 4.0 -11.6 30 68 A R - 0 0 148 -24,-0.5 -25,-0.6 -3,-0.0 -1,-0.3 -0.958 68.0-108.0-165.4 142.4 43.5 6.7 -9.8 31 69 A N - 0 0 98 -2,-0.3 -27,-0.1 -3,-0.1 8,-0.0 -0.360 28.2-160.0 -75.0 154.9 40.1 7.2 -8.0 32 70 A S - 0 0 8 4,-0.3 6,-0.1 2,-0.1 4,-0.1 -0.996 21.3-142.9-138.8 135.7 37.3 9.2 -9.5 33 71 A P S > S+ 0 0 90 0, 0.0 3,-0.9 0, 0.0 2,-0.3 0.704 74.9 99.8 -66.7 -19.8 34.2 10.8 -7.9 34 72 A V T 3 S- 0 0 47 -32,-0.4 -2,-0.1 1,-0.2 -32,-0.0 -0.529 94.6 -2.4 -76.2 134.0 32.0 10.1 -10.9 35 73 A Y T 3 S- 0 0 70 -2,-0.3 101,-0.4 400,-0.2 -1,-0.2 0.478 116.3 -80.1 66.2 11.3 29.7 7.0 -10.7 36 74 A G S < S- 0 0 24 -3,-0.9 -4,-0.3 -4,-0.1 2,-0.2 -0.390 81.3 -5.5 102.0-174.4 30.8 5.9 -7.2 37 75 A P - 0 0 96 0, 0.0 98,-1.8 0, 0.0 2,-0.2 -0.339 61.5-133.7 -66.9 124.4 33.7 4.0 -5.6 38 76 A D B -H 134 0B 15 96,-0.2 2,-0.5 -2,-0.2 96,-0.3 -0.538 21.6-116.6 -69.6 137.7 36.3 2.5 -7.9 39 77 A I - 0 0 17 94,-3.2 94,-0.2 -2,-0.2 3,-0.1 -0.667 27.3-156.9 -73.0 121.9 37.3 -1.1 -7.2 40 78 A Q S S+ 0 0 102 -2,-0.5 -12,-3.0 1,-0.2 2,-0.4 0.889 70.6 34.2 -78.5 -39.0 41.0 -0.7 -6.4 41 79 A F E -B 27 0A 45 -14,-0.2 20,-2.5 -3,-0.1 21,-0.5 -0.974 68.4-167.0-124.0 127.6 42.2 -4.2 -7.1 42 80 A L E -BC 26 60A 0 -16,-2.6 -16,-3.3 -2,-0.4 2,-0.5 -0.922 16.4-144.2-116.0 131.6 40.9 -6.6 -9.8 43 81 A S E -BC 25 59A 34 16,-2.6 16,-2.4 -2,-0.5 2,-0.5 -0.800 24.4-166.1 -84.0 130.5 41.5 -10.2 -10.3 44 82 A F E +BC 24 58A 0 -20,-2.8 -20,-3.0 -2,-0.5 2,-0.4 -0.977 9.5 176.4-125.9 118.8 41.6 -10.9 -14.1 45 83 A T E -BC 23 57A 8 12,-2.9 12,-2.9 -2,-0.5 2,-0.4 -0.982 14.1-172.2-127.1 137.5 41.4 -14.4 -15.6 46 84 A A E +BC 22 56A 0 -24,-2.2 -24,-2.5 -2,-0.4 2,-0.3 -0.993 24.2 159.4-118.3 130.6 41.3 -15.6 -19.1 47 85 A S E -BC 21 55A 12 8,-2.3 8,-3.9 -2,-0.4 2,-0.6 -0.995 38.3-121.0-151.6 153.1 40.6 -19.3 -19.7 48 86 A F E + C 0 54A 25 -28,-0.6 6,-0.2 -2,-0.3 3,-0.1 -0.855 20.2 178.2 -98.5 127.3 39.4 -21.8 -22.2 49 87 A E E S- 0 0 47 4,-1.9 2,-0.3 -2,-0.6 -1,-0.2 0.884 80.1 -0.2 -91.3 -49.9 36.3 -23.8 -21.4 50 88 A E E > S- C 0 53A 106 3,-0.8 3,-1.0 1,-0.0 -1,-0.3 -0.745 87.0 -98.6-115.3-179.9 36.2 -25.6 -24.6 51 89 A D T 3 S+ 0 0 77 -2,-0.3 43,-0.5 1,-0.2 42,-0.3 0.838 127.3 44.7 -58.0 -33.1 38.6 -25.3 -27.6 52 90 A D T 3 S+ 0 0 43 40,-0.1 188,-3.2 41,-0.1 2,-0.4 0.243 106.6 68.2-101.8 8.4 36.0 -23.0 -29.1 53 91 A T E < -CD 50 239A 6 -3,-1.0 -4,-1.9 186,-0.2 -3,-0.8 -0.969 55.7-168.5-138.9 122.8 35.2 -20.9 -26.1 54 92 A L E -CD 48 238A 0 184,-2.6 184,-3.2 -2,-0.4 2,-0.5 -0.909 11.7-153.3-111.5 131.0 37.3 -18.4 -24.3 55 93 A R E -CD 47 237A 3 -8,-3.9 -8,-2.3 -2,-0.4 2,-0.6 -0.888 7.7-168.6-111.4 124.0 36.2 -17.0 -20.9 56 94 A I E -CD 46 236A 1 180,-3.8 180,-3.5 -2,-0.5 2,-0.5 -0.929 10.6-178.2-113.2 116.0 37.2 -13.6 -19.5 57 95 A R E -CD 45 235A 31 -12,-2.9 -12,-2.9 -2,-0.6 2,-0.5 -0.939 6.5-176.6-120.5 123.9 36.4 -13.1 -15.9 58 96 A I E +CD 44 234A 0 176,-3.1 176,-1.9 -2,-0.5 2,-0.3 -0.955 16.1 161.1-127.4 116.1 37.0 -9.9 -14.0 59 97 A T E -C 43 0A 16 -16,-2.4 -16,-2.6 -2,-0.5 2,-0.5 -0.801 48.8 -85.8-129.7 161.4 36.3 -9.7 -10.3 60 98 A D E > -C 42 0A 21 3,-0.4 3,-0.6 -2,-0.3 -18,-0.3 -0.638 36.3-146.1 -67.5 119.7 37.1 -7.6 -7.2 61 99 A A T 3 S+ 0 0 43 -20,-2.5 -19,-0.2 -2,-0.5 -1,-0.1 0.730 95.8 35.4 -60.1 -27.3 40.4 -9.2 -5.9 62 100 A N T 3 S+ 0 0 116 -21,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.454 118.6 44.4-111.1 -9.2 39.4 -8.5 -2.3 63 101 A N S < S- 0 0 100 -3,-0.6 -3,-0.4 0, 0.0 -1,-0.2 -0.972 71.5-126.3-145.5 130.7 35.6 -9.1 -2.3 64 102 A R - 0 0 208 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 -0.490 36.7-165.1 -64.6 137.6 33.2 -11.6 -3.8 65 103 A R - 0 0 25 -2,-0.2 2,-0.1 -5,-0.1 168,-0.1 -0.738 32.5 -61.6-119.6 174.2 30.6 -9.7 -5.8 66 104 A W + 0 0 37 -2,-0.2 167,-0.4 166,-0.1 2,-0.3 -0.342 55.1 171.7 -63.7 128.6 27.3 -10.7 -7.2 67 105 A E - 0 0 30 165,-0.2 145,-0.1 -2,-0.1 3,-0.1 -0.988 45.0 -95.3-132.4 148.2 27.2 -13.5 -9.7 68 106 A I - 0 0 2 -2,-0.3 5,-0.1 143,-0.3 399,-0.0 -0.411 59.3-104.1 -57.4 123.2 24.3 -15.3 -11.3 69 107 A P >> - 0 0 37 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.227 16.2-131.3 -60.1 142.7 24.1 -18.3 -9.1 70 108 A N T 34 S+ 0 0 88 1,-0.3 -2,-0.1 2,-0.2 0, 0.0 0.816 108.4 59.8 -60.3 -30.0 25.5 -21.5 -10.5 71 109 A E T 34 S+ 0 0 156 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.783 107.5 45.3 -66.1 -29.3 22.2 -23.3 -9.5 72 110 A V T <4 S+ 0 0 5 -3,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.826 135.8 11.8 -85.3 -37.3 20.3 -20.9 -11.7 73 111 A L S < S- 0 0 7 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 -0.669 85.1-151.2-143.4 80.6 22.6 -21.2 -14.6 74 112 A P + 0 0 66 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.259 30.6 148.0 -61.4 141.6 25.1 -24.1 -14.1 75 113 A R - 0 0 29 180,-0.0 179,-0.1 0, 0.0 -2,-0.1 -0.971 52.6 -65.3-165.9 160.0 28.4 -23.7 -15.7 76 114 A P - 0 0 61 0, 0.0 -27,-0.0 0, 0.0 178,-0.0 -0.219 60.1-111.5 -54.9 139.0 32.0 -24.6 -15.4 77 115 A P - 0 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.185 38.1 -86.4 -71.2 163.5 33.6 -22.9 -12.4 78 116 A P - 0 0 49 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.217 54.8 -90.1 -65.2 160.8 36.3 -20.1 -12.6 79 117 A P 0 0 28 0, 0.0 -32,-0.0 0, 0.0 -58,-0.0 -0.352 360.0 360.0 -71.5 154.3 39.9 -21.2 -13.0 80 118 A P 0 0 148 0, 0.0 -59,-0.0 0, 0.0 -65,-0.0 0.969 360.0 360.0 -80.7 360.0 41.9 -21.6 -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 0 123 0, 0.0 2,-0.1 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0-124.1 55.1 -2.7 -24.8 83 139 A T - 0 0 91 17,-0.4 17,-2.3 16,-0.1 2,-0.3 -0.434 360.0-177.3 -74.0 144.0 54.9 -5.8 -22.6 84 140 A T E -I 99 0B 59 15,-0.2 2,-0.5 -2,-0.1 15,-0.2 -0.969 23.6-145.1-137.2 156.7 52.2 -8.4 -23.3 85 141 A T E -I 98 0B 21 13,-2.4 13,-2.8 -2,-0.3 2,-0.4 -0.970 21.8-161.6-122.3 119.0 50.9 -11.7 -22.0 86 142 A V E -I 97 0B 65 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.789 7.9-169.6-105.9 137.5 49.6 -14.2 -24.5 87 143 A L E +I 96 0B 0 9,-3.0 9,-2.4 -2,-0.4 2,-0.3 -0.992 21.2 147.0-123.6 124.8 47.4 -17.1 -23.9 88 144 A S - 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