==== 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 HYDROLASE 28-AUG-08 2JKE . COMPND 2 MOLECULE: ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB); . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR T.M.GLOSTER,J.P.TURKENBURG,J.R.POTTS,B.HENRISSAT,G.J.DAVIES . 1374 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 918 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 352 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 3 0.2 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 . 111 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.3 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 4 3 3 0 2 2 3 1 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 6 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 PARALLEL BRIDGES PER LADDER . 16 6 8 8 2 6 10 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 4 2 4 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 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 22 A Q 0 0 133 0, 0.0 2,-0.4 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 129.6 -22.5 56.7 84.2 2 23 A Q E -A 15 0A 41 13,-3.0 13,-2.7 2,-0.0 2,-0.4 -0.884 360.0-157.2-110.1 143.9 -21.1 53.2 84.9 3 24 A K E -A 14 0A 126 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.975 8.0-175.2-120.5 136.2 -18.8 52.3 87.9 4 25 A L E -A 13 0A 11 9,-2.6 9,-3.0 -2,-0.4 2,-0.3 -0.993 9.0-167.1-126.3 136.9 -16.5 49.4 88.0 5 26 A T E -A 12 0A 51 -2,-0.4 7,-0.2 7,-0.2 103,-0.2 -0.902 23.5-108.6-127.4 151.8 -14.6 48.5 91.2 6 27 A S > - 0 0 1 5,-2.3 3,-1.8 -2,-0.3 103,-0.2 -0.283 38.6-104.3 -68.9 164.4 -11.7 46.2 92.0 7 28 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 102,-0.1 0.871 124.0 47.0 -56.7 -35.8 -12.3 43.0 94.0 8 29 A D T 3 S- 0 0 58 1,-0.1 -2,-0.1 3,-0.0 101,-0.0 0.296 110.5-122.9 -91.6 8.9 -10.8 44.6 97.1 9 30 A N S < S+ 0 0 117 -3,-1.8 -1,-0.1 2,-0.1 21,-0.0 0.437 82.5 111.5 67.0 2.0 -12.8 47.9 96.6 10 31 A N + 0 0 57 20,-0.1 20,-2.8 19,-0.1 21,-0.4 0.782 69.2 52.6 -77.1 -26.3 -9.7 50.1 96.5 11 32 A L E - B 0 29A 0 18,-0.2 -5,-2.3 19,-0.1 2,-0.4 -0.909 61.6-172.5-114.4 142.4 -9.9 51.1 92.9 12 33 A V E -AB 5 28A 33 16,-2.0 16,-2.6 -2,-0.4 2,-0.5 -0.994 5.3-166.2-134.4 127.8 -12.9 52.6 91.1 13 34 A M E -AB 4 27A 0 -9,-3.0 -9,-2.6 -2,-0.4 2,-0.5 -0.963 8.8-162.0-108.8 124.5 -13.2 53.3 87.4 14 35 A T E -AB 3 26A 10 12,-1.7 12,-1.5 -2,-0.5 2,-0.4 -0.917 7.8-171.5-107.5 131.4 -16.0 55.5 86.2 15 36 A F E +AB 2 25A 0 -13,-2.7 -13,-3.0 -2,-0.5 2,-0.3 -0.944 13.8 150.7-119.7 141.9 -17.1 55.5 82.6 16 37 A Q E - B 0 24A 61 8,-2.4 8,-2.7 -2,-0.4 2,-0.5 -0.984 42.6-118.5-155.7 162.5 -19.5 57.7 80.8 17 38 A V E - B 0 23A 37 -2,-0.3 43,-0.1 6,-0.2 39,-0.0 -0.904 39.6-136.9 -96.8 133.1 -20.2 59.1 77.3 18 39 A D > - 0 0 49 4,-2.4 3,-1.9 -2,-0.5 -1,-0.1 -0.068 33.5 -81.4 -82.5-172.8 -20.0 63.0 77.4 19 40 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.791 131.7 47.1 -63.8 -29.0 -22.3 65.5 75.8 20 41 A K T 3 S- 0 0 120 2,-0.1 37,-1.8 37,-0.0 -1,-0.3 0.299 123.4-103.8 -96.5 10.3 -20.6 65.2 72.4 21 42 A G S < S+ 0 0 6 -3,-1.9 37,-2.0 1,-0.3 -2,-0.1 0.728 70.5 148.6 79.2 24.5 -20.8 61.4 72.7 22 43 A A - 0 0 4 34,-0.2 -4,-2.4 35,-0.1 -1,-0.3 -0.798 48.7-124.8 -89.5 126.5 -17.1 60.9 73.5 23 44 A P E +B 17 0A 0 0, 0.0 17,-2.1 0, 0.0 2,-0.3 -0.520 37.2 179.4 -66.5 133.1 -16.4 57.9 75.7 24 45 A T E -BC 16 39A 12 -8,-2.7 -8,-2.4 15,-0.2 2,-0.3 -0.989 10.4-173.9-140.1 148.2 -14.4 59.0 78.8 25 46 A Y E -BC 15 38A 0 13,-2.3 13,-2.2 -2,-0.3 2,-0.3 -0.913 3.9-170.9-135.3 162.1 -13.1 57.2 81.8 26 47 A E E -B 14 0A 51 -12,-1.5 -12,-1.7 -2,-0.3 2,-0.4 -0.963 9.0-151.6-149.1 161.7 -11.4 58.0 85.1 27 48 A L E -BC 13 35A 1 8,-2.2 7,-3.0 -2,-0.3 8,-2.0 -0.995 6.9-170.7-144.1 134.0 -9.7 56.0 87.8 28 49 A T E -BC 12 33A 34 -16,-2.6 -16,-2.0 -2,-0.4 2,-0.4 -0.912 6.6-160.3-121.7 154.1 -9.2 56.4 91.5 29 50 A Y E > S-BC 11 32A 11 3,-2.8 3,-2.0 -2,-0.3 -18,-0.2 -0.993 81.0 -17.1-133.4 119.7 -7.1 54.4 94.0 30 51 A K T 3 S- 0 0 79 -20,-2.8 -19,-0.1 -2,-0.4 -1,-0.1 0.906 129.1 -53.6 46.9 48.3 -7.8 54.6 97.7 31 52 A N T 3 S+ 0 0 163 -21,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.589 114.9 119.2 63.3 15.3 -9.9 57.8 97.0 32 53 A K E < S-C 29 0A 80 -3,-2.0 -3,-2.8 167,-0.0 2,-0.3 -0.918 70.9-114.5-108.5 136.6 -6.9 59.4 95.2 33 54 A V E +C 28 0A 52 -2,-0.4 -5,-0.2 -5,-0.2 107,-0.2 -0.510 39.8 165.3 -68.3 128.9 -7.3 60.4 91.6 34 55 A V E S+ 0 0 1 -7,-3.0 2,-0.5 1,-0.4 106,-0.4 0.737 74.6 23.3-107.3 -49.9 -5.0 58.3 89.3 35 56 A I E S-C 27 0A 1 -8,-2.0 -8,-2.2 104,-0.1 -1,-0.4 -0.985 77.6-148.5-119.6 116.5 -6.5 59.1 85.9 36 57 A K E -D 138 0B 99 102,-2.5 102,-0.6 -2,-0.5 -11,-0.2 -0.332 57.8 -53.5 -68.1 165.3 -8.5 62.3 85.5 37 58 A P E S+ 0 0 79 0, 0.0 2,-0.4 0, 0.0 -11,-0.2 -0.191 74.1 177.9 -49.5 126.3 -11.4 62.2 83.0 38 59 A S E -C 25 0A 1 -13,-2.2 -13,-2.3 -3,-0.1 2,-0.1 -0.989 22.6-123.9-140.1 137.2 -9.8 61.0 79.8 39 60 A T E -C 24 0A 37 -2,-0.4 97,-2.5 -15,-0.2 2,-0.3 -0.442 16.5-158.1 -90.3 160.0 -11.3 60.3 76.4 40 61 A L + 0 0 2 -17,-2.1 2,-0.3 95,-0.2 95,-0.2 -0.978 37.5 90.9-129.6 144.9 -11.1 57.1 74.3 41 62 A G - 0 0 0 -2,-0.3 93,-3.0 -19,-0.1 2,-0.3 -0.862 51.5-111.2 154.0 175.5 -11.5 56.6 70.6 42 63 A L E -IJ 54 133C 1 12,-1.9 12,-1.8 -2,-0.3 2,-0.4 -0.956 10.6-137.3-136.3 153.5 -9.8 56.5 67.2 43 64 A E E -IJ 53 132C 49 89,-3.1 88,-2.5 -2,-0.3 89,-1.9 -0.943 27.1-149.2-107.8 132.2 -9.5 58.5 64.0 44 65 A L E - J 0 130C 6 8,-3.1 86,-0.2 -2,-0.4 2,-0.2 -0.699 21.0-100.8-101.6 153.4 -9.6 56.5 60.8 45 66 A K - 0 0 79 84,-3.0 84,-0.3 -2,-0.3 2,-0.1 -0.458 45.7-103.3 -65.3 140.1 -8.0 57.2 57.4 46 67 A K 0 0 127 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.419 360.0 360.0 -63.6 139.9 -10.4 58.6 54.8 47 68 A E 0 0 179 -2,-0.1 -1,-0.1 -3,-0.1 5,-0.0 -0.220 360.0 360.0 -67.5 360.0 -11.4 56.0 52.2 48 ! 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 49 87 A D > 0 0 143 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -54.9 -15.9 62.3 56.0 50 88 A S G > + 0 0 55 1,-0.3 3,-1.4 2,-0.2 48,-0.1 0.807 360.0 68.1 -65.8 -22.9 -18.0 61.1 58.9 51 89 A K G 3 S+ 0 0 112 1,-0.3 -1,-0.3 46,-0.1 -7,-0.1 0.687 87.6 66.7 -67.8 -16.7 -16.6 57.6 58.6 52 90 A T G < S+ 0 0 23 -3,-1.6 -8,-3.1 -9,-0.1 2,-0.8 0.718 84.0 88.6 -73.6 -18.5 -13.2 58.9 59.7 53 91 A N E < +I 43 0C 18 -3,-1.4 -10,-0.2 -4,-0.4 -1,-0.1 -0.720 33.2 147.3 -86.8 104.7 -14.7 59.6 63.2 54 92 A L E +I 42 0C 1 -12,-1.8 -12,-1.9 -2,-0.8 -1,-0.1 -0.184 65.0 72.3-118.1 39.0 -14.5 56.7 65.6 55 93 A Y S S+ 0 0 76 -14,-0.3 2,-0.3 1,-0.2 -15,-0.2 0.592 98.8 13.2-128.7 -21.4 -14.1 59.0 68.6 56 94 A D S S+ 0 0 37 -34,-0.2 -35,-0.2 -14,-0.1 -34,-0.2 -0.861 84.4 70.5-147.4-172.7 -17.4 60.6 69.3 57 95 A G S S+ 0 0 28 -37,-1.8 40,-0.4 1,-0.3 2,-0.3 0.760 72.4 140.5 74.3 19.9 -21.1 60.6 68.5 58 96 A F - 0 0 9 -37,-2.0 2,-0.3 37,-0.2 -1,-0.3 -0.670 34.9-166.9 -94.0 155.5 -21.5 57.3 70.4 59 97 A E E -K 94 0D 103 35,-2.1 35,-2.7 -2,-0.3 2,-0.6 -0.977 34.3-102.3-133.1 151.1 -24.3 56.3 72.7 60 98 A V E +K 93 0D 59 -2,-0.3 33,-0.2 33,-0.2 3,-0.1 -0.575 40.0 171.8 -73.6 114.2 -24.3 53.3 75.2 61 99 A K E - 0 0 94 31,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.828 63.0 -12.1 -92.2 -35.6 -26.2 50.5 73.6 62 100 A D E -K 92 0D 75 30,-1.2 30,-2.9 2,-0.0 2,-0.3 -0.989 53.0-154.9-158.9 159.9 -25.5 47.7 76.1 63 101 A T E -K 91 0D 55 -2,-0.3 2,-0.4 28,-0.2 28,-0.2 -0.991 6.6-171.2-139.8 146.3 -23.2 46.8 79.1 64 102 A Q E -K 90 0D 116 26,-2.1 26,-3.0 -2,-0.3 2,-0.3 -0.996 5.5-163.9-135.2 138.8 -22.1 43.4 80.4 65 103 A T E +K 89 0D 107 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.837 13.8 164.8-116.3 158.9 -20.3 42.8 83.7 66 104 A A E -K 88 0D 48 22,-1.4 22,-3.5 -2,-0.3 2,-0.4 -0.968 26.4-136.8-164.7 158.2 -18.4 39.7 84.8 67 105 A T E -K 87 0D 95 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.978 16.5-167.3-122.7 139.8 -15.9 38.5 87.3 68 106 A F E +K 86 0D 78 18,-2.6 18,-2.0 -2,-0.4 2,-0.2 -0.984 14.0 164.9-127.3 136.5 -13.0 36.2 86.5 69 107 A D E +K 85 0D 63 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.670 21.1 133.4-154.0 93.1 -10.8 34.4 89.1 70 108 A E E -K 84 0D 118 14,-2.0 14,-2.7 -2,-0.2 2,-0.3 -0.988 40.8-136.7-143.8 147.6 -8.6 31.6 87.9 71 109 A T E -K 83 0D 64 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.756 22.4-178.7-106.4 150.6 -5.0 30.6 88.5 72 110 A W E -K 82 0D 38 10,-2.4 10,-2.9 -2,-0.3 -2,-0.0 -0.932 21.9-125.8-142.5 165.8 -2.6 29.5 85.7 73 111 A Q - 0 0 108 -2,-0.3 8,-0.2 8,-0.2 7,-0.1 -0.964 16.4-142.8-121.1 120.6 1.0 28.3 85.5 74 112 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 405,-0.1 -0.394 22.5-122.9 -70.9 160.7 3.6 29.9 83.2 75 113 A V S S+ 0 0 47 1,-0.3 2,-0.3 404,-0.1 404,-0.0 0.893 98.7 1.8 -68.8 -37.3 6.2 27.6 81.7 76 114 A W S S+ 0 0 17 209,-0.1 2,-0.3 509,-0.0 -1,-0.3 -0.974 89.8 118.5-145.2 150.5 8.9 29.7 83.2 77 115 A G S S- 0 0 8 -2,-0.3 509,-1.7 -3,-0.1 480,-0.1 -0.995 70.9 -67.9 176.2-174.4 8.5 32.8 85.5 78 116 A E S S+ 0 0 36 -2,-0.3 2,-0.3 507,-0.1 527,-0.2 0.553 114.4 14.7 -80.9 -11.3 9.1 34.6 88.7 79 117 A E S S- 0 0 34 509,-0.1 509,-0.3 1,-0.1 508,-0.2 -0.974 76.3-114.1-154.6 167.4 6.7 32.2 90.5 80 118 A K S S+ 0 0 97 507,-2.2 2,-0.4 -2,-0.3 508,-0.1 0.875 96.7 27.1 -72.8 -39.6 5.0 28.9 90.0 81 119 A E - 0 0 109 506,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.968 61.6-159.5-131.7 141.4 1.4 30.2 89.8 82 120 A I E -K 72 0D 6 -10,-2.9 -10,-2.4 -2,-0.4 2,-0.4 -0.978 14.2-141.9-118.8 133.5 -0.3 33.4 88.8 83 121 A R E -K 71 0D 143 -2,-0.4 2,-0.6 -12,-0.2 -12,-0.2 -0.817 7.2-161.0 -94.9 131.5 -3.8 34.5 89.8 84 122 A N E +K 70 0D 9 -14,-2.7 -14,-2.0 -2,-0.4 2,-0.4 -0.949 27.1 159.3-112.9 102.8 -5.9 36.3 87.2 85 123 A H E +K 69 0D 39 -2,-0.6 25,-0.4 -16,-0.2 2,-0.3 -0.954 7.3 137.1-139.9 109.0 -8.6 38.0 89.2 86 124 A Y E -K 68 0D 14 -18,-2.0 -18,-2.6 -2,-0.4 2,-0.4 -0.985 46.4-125.2-147.9 158.3 -10.6 40.9 87.9 87 125 A N E -KL 67 108D 29 21,-2.3 21,-3.0 -2,-0.3 2,-0.3 -0.912 36.5-152.2 -99.5 139.1 -14.0 42.5 87.6 88 126 A E E -KL 66 107D 18 -22,-3.5 -22,-1.4 -2,-0.4 2,-0.4 -0.870 19.6-173.6-116.4 146.3 -15.0 43.4 84.1 89 127 A L E -KL 65 106D 6 17,-2.4 17,-3.2 -2,-0.3 2,-0.5 -0.988 7.2-170.8-130.5 125.8 -17.2 45.9 82.4 90 128 A A E -KL 64 105D 5 -26,-3.0 -26,-2.1 -2,-0.4 2,-0.5 -0.975 6.5-164.2-114.7 126.3 -17.8 45.7 78.6 91 129 A V E -KL 63 104D 0 13,-2.7 13,-2.2 -2,-0.5 2,-0.6 -0.940 10.1-148.5-114.2 124.9 -19.6 48.7 77.0 92 130 A T E -KL 62 103D 36 -30,-2.9 -31,-2.9 -2,-0.5 -30,-1.2 -0.852 17.2-162.5 -93.1 123.5 -21.2 48.5 73.5 93 131 A L E -KL 60 102D 0 9,-3.5 9,-2.2 -2,-0.6 2,-0.4 -0.926 2.2-162.6-114.5 117.3 -21.0 51.9 71.9 94 132 A Y E -KL 59 101D 55 -35,-2.7 -35,-2.1 -2,-0.5 7,-0.2 -0.816 7.0-154.5-104.8 139.7 -23.2 52.6 68.9 95 133 A Q E >>> - 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