==== 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 23-AUG-08 2JKA . 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 . 1375 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 927 67.4 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 . 2 0.1 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 . 124 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 12.5 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 4 0 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 0 144 0, 0.0 2,-0.4 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 128.3 -22.4 56.7 84.0 2 23 A Q E -A 15 0A 38 13,-3.6 13,-3.5 2,-0.0 2,-0.4 -0.969 360.0-154.5-128.3 132.7 -21.2 53.2 84.8 3 24 A K E -A 14 0A 121 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.865 9.8-177.2-111.4 141.8 -19.0 52.1 87.8 4 25 A L E -A 13 0A 12 9,-2.4 9,-3.0 -2,-0.4 2,-0.3 -0.997 8.5-164.8-134.7 136.8 -16.6 49.2 88.1 5 26 A T E -A 12 0A 50 -2,-0.4 7,-0.2 7,-0.2 104,-0.2 -0.920 24.1-109.2-125.9 150.0 -14.6 48.3 91.3 6 27 A S > - 0 0 0 5,-2.1 3,-1.9 -2,-0.3 104,-0.2 -0.335 39.0-106.7 -66.2 155.4 -11.6 46.0 92.0 7 28 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 103,-0.1 0.901 124.3 48.5 -50.4 -39.8 -12.4 42.8 93.9 8 29 A D T 3 S- 0 0 53 1,-0.1 -2,-0.0 0, 0.0 102,-0.0 0.572 110.3-126.4 -79.1 -12.1 -10.7 44.4 97.0 9 30 A N S < S+ 0 0 116 -3,-1.9 -1,-0.1 2,-0.1 21,-0.1 0.392 81.1 112.0 85.3 -6.1 -12.8 47.6 96.5 10 31 A N + 0 0 60 20,-0.1 20,-2.6 19,-0.1 21,-0.5 0.766 69.8 53.5 -71.1 -25.7 -9.7 49.8 96.6 11 32 A L E - B 0 29A 0 18,-0.2 -5,-2.1 19,-0.1 2,-0.4 -0.894 61.3-172.9-113.0 145.4 -9.9 50.8 92.9 12 33 A V E -AB 5 28A 35 16,-1.9 16,-2.2 -2,-0.4 2,-0.5 -0.983 5.9-166.7-137.3 127.4 -12.9 52.3 91.0 13 34 A M E -AB 4 27A 0 -9,-3.0 -9,-2.4 -2,-0.4 2,-0.5 -0.954 9.6-161.9-108.5 122.2 -13.2 53.0 87.3 14 35 A T E -AB 3 26A 9 12,-1.7 12,-1.4 -2,-0.5 2,-0.4 -0.924 7.5-168.7-104.8 130.6 -16.0 55.2 86.2 15 36 A F E +AB 2 25A 0 -13,-3.5 -13,-3.6 -2,-0.5 2,-0.3 -0.921 13.7 154.9-116.2 141.3 -17.1 55.2 82.6 16 37 A Q E - B 0 24A 63 8,-2.3 8,-3.2 -2,-0.4 2,-0.5 -0.992 38.8-127.5-156.7 159.2 -19.5 57.5 80.7 17 38 A V E - B 0 23A 37 -2,-0.3 44,-0.1 6,-0.2 40,-0.0 -0.939 36.4-143.3-101.3 129.3 -20.3 58.9 77.3 18 39 A D > - 0 0 51 4,-2.5 3,-1.6 -2,-0.5 -1,-0.0 -0.041 35.4 -79.1 -81.8-167.8 -20.4 62.7 77.4 19 40 A S T 3 S+ 0 0 131 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.851 131.6 50.7 -65.2 -36.7 -22.7 65.1 75.6 20 41 A K T 3 S- 0 0 119 2,-0.1 38,-2.0 1,-0.0 -1,-0.3 0.283 121.1-108.7 -81.4 14.1 -20.8 64.8 72.3 21 42 A G < + 0 0 6 -3,-1.6 38,-2.0 36,-0.2 -2,-0.1 0.718 69.5 149.0 64.0 22.6 -21.1 61.0 72.6 22 43 A A - 0 0 2 35,-0.2 -4,-2.5 36,-0.1 2,-0.3 -0.761 48.7-122.6 -85.6 130.7 -17.3 60.6 73.4 23 44 A P E -B 17 0A 1 0, 0.0 17,-2.2 0, 0.0 2,-0.3 -0.594 34.9-177.3 -75.2 132.2 -16.5 57.7 75.7 24 45 A T E -BC 16 39A 17 -8,-3.2 -8,-2.3 -2,-0.3 2,-0.3 -0.942 8.5-177.0-129.7 147.2 -14.6 58.8 78.8 25 46 A Y E -BC 15 38A 1 13,-2.1 13,-2.1 -2,-0.3 2,-0.3 -0.947 2.2-177.0-137.0 162.7 -13.1 56.9 81.8 26 47 A E E -B 14 0A 48 -12,-1.4 -12,-1.7 -2,-0.3 2,-0.4 -0.965 10.6-150.0-152.9 164.2 -11.3 57.8 85.0 27 48 A L E -BC 13 35A 0 8,-2.1 7,-3.2 -2,-0.3 8,-1.8 -0.996 7.1-170.0-144.3 132.8 -9.8 55.8 87.8 28 49 A T E -BC 12 33A 32 -16,-2.2 -16,-1.9 -2,-0.4 2,-0.4 -0.876 6.4-159.0-119.8 156.5 -9.2 56.2 91.6 29 50 A Y E > S-BC 11 32A 10 3,-2.9 3,-2.6 -2,-0.3 -18,-0.2 -0.989 80.2 -15.2-137.7 121.2 -7.1 54.2 94.0 30 51 A K T 3 S- 0 0 77 -20,-2.6 -19,-0.1 -2,-0.4 -1,-0.1 0.914 130.4 -54.9 46.9 47.0 -7.8 54.3 97.8 31 52 A N T 3 S+ 0 0 161 -21,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.574 115.4 119.7 60.3 14.3 -9.9 57.4 97.0 32 53 A K E < S-C 29 0A 84 -3,-2.6 -3,-2.9 168,-0.0 2,-0.3 -0.866 70.9-112.2-104.7 144.6 -7.0 59.1 95.2 33 54 A V E +C 28 0A 48 -2,-0.4 -5,-0.3 -5,-0.2 108,-0.2 -0.553 41.0 164.5 -74.9 129.8 -7.3 60.1 91.6 34 55 A V E S+ 0 0 0 -7,-3.2 2,-0.5 1,-0.4 107,-0.5 0.739 74.3 23.5-107.0 -54.7 -5.0 58.1 89.3 35 56 A I E S-C 27 0A 0 -8,-1.8 -8,-2.1 105,-0.1 -1,-0.4 -0.969 78.3-147.5-111.9 120.5 -6.5 58.8 85.9 36 57 A K E -D 139 0B 97 103,-3.0 103,-0.6 -2,-0.5 -11,-0.2 -0.413 56.8 -53.4 -73.8 164.6 -8.5 62.0 85.5 37 58 A P E S+ 0 0 83 0, 0.0 2,-0.4 0, 0.0 -11,-0.2 -0.128 74.0 179.2 -43.4 127.5 -11.4 62.0 83.0 38 59 A S E -C 25 0A 1 -13,-2.1 -13,-2.1 -3,-0.1 2,-0.1 -0.996 22.8-124.6-140.9 133.8 -9.8 60.7 79.8 39 60 A T E -C 24 0A 37 -2,-0.4 98,-2.3 -15,-0.2 2,-0.3 -0.375 16.7-157.2 -86.4 159.5 -11.3 60.1 76.4 40 61 A L + 0 0 1 -17,-2.2 2,-0.3 16,-0.2 96,-0.2 -0.983 37.6 94.8-128.6 144.2 -11.2 56.8 74.4 41 62 A G - 0 0 0 -2,-0.3 94,-3.5 -19,-0.1 2,-0.3 -0.901 49.6-116.5 157.8 172.8 -11.5 56.4 70.6 42 63 A L E -IJ 55 134C 0 13,-1.7 13,-1.7 -2,-0.3 2,-0.4 -0.974 10.9-139.0-137.3 151.3 -9.8 56.2 67.3 43 64 A E E -IJ 54 133C 48 90,-3.1 89,-2.8 -2,-0.3 90,-1.8 -0.954 25.4-147.7-106.1 135.5 -9.7 58.2 64.0 44 65 A L E - J 0 131C 7 9,-2.9 87,-0.3 -2,-0.4 2,-0.2 -0.625 21.8-100.0-100.4 156.8 -9.8 56.1 60.8 45 66 A K - 0 0 83 85,-3.2 85,-0.3 -2,-0.2 2,-0.2 -0.515 44.6-106.9 -70.4 139.9 -8.1 56.8 57.5 46 67 A K 0 0 109 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.470 360.0 360.0 -63.9 135.7 -10.5 58.3 54.9 47 68 A E 0 0 168 2,-0.4 -1,-0.1 -2,-0.2 6,-0.0 -0.154 360.0 360.0 -63.3 360.0 -11.4 55.8 52.1 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 86 A L 0 0 113 0, 0.0 -2,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 129.4 -17.3 59.9 53.3 50 87 A D > + 0 0 120 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.848 360.0 61.2 -73.3 -41.7 -16.0 62.0 56.2 51 88 A S G > S+ 0 0 38 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.796 93.1 66.3 -66.8 -26.8 -18.2 60.7 59.0 52 89 A K G 3 S+ 0 0 86 1,-0.3 -1,-0.3 46,-0.1 -2,-0.2 0.729 90.3 65.9 -61.5 -21.8 -16.7 57.2 58.6 53 90 A T G < S+ 0 0 19 -3,-1.7 -9,-2.9 -4,-0.2 2,-0.9 0.710 84.5 88.9 -73.6 -15.2 -13.3 58.6 59.8 54 91 A N E < +I 43 0C 18 -3,-1.5 -11,-0.2 -4,-0.3 -1,-0.1 -0.730 33.1 146.8 -89.7 104.0 -14.8 59.2 63.2 55 92 A L E +I 42 0C 0 -13,-1.7 -13,-1.7 -2,-0.9 -1,-0.1 -0.139 65.6 71.3-117.8 36.9 -14.6 56.3 65.6 56 93 A Y S S+ 0 0 72 -15,-0.3 2,-0.3 1,-0.2 -16,-0.2 0.631 99.1 11.8-126.4 -24.5 -14.2 58.6 68.6 57 94 A D S S+ 0 0 37 -35,-0.2 -36,-0.2 -15,-0.1 -1,-0.2 -0.881 84.8 69.9-143.7-173.1 -17.5 60.3 69.3 58 95 A G S S+ 0 0 25 -38,-2.0 40,-0.3 -2,-0.3 2,-0.2 0.769 72.8 141.3 75.8 26.7 -21.3 60.3 68.5 59 96 A F - 0 0 9 -38,-2.0 2,-0.3 37,-0.2 -1,-0.3 -0.661 36.0-163.4 -95.8 155.6 -21.7 57.0 70.4 60 97 A E E -K 95 0D 101 35,-2.2 35,-3.2 -2,-0.2 2,-0.6 -0.995 32.0-105.9-132.6 145.4 -24.5 55.8 72.6 61 98 A V E +K 94 0D 59 -2,-0.3 33,-0.2 33,-0.2 3,-0.1 -0.534 39.8 170.7 -64.6 111.3 -24.4 52.9 75.1 62 99 A K E - 0 0 130 31,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.754 63.8 -5.3 -94.9 -28.1 -26.4 50.1 73.6 63 100 A D E -K 93 0D 70 30,-1.3 30,-2.8 2,-0.0 2,-0.3 -0.990 53.8-158.3-160.5 151.9 -25.5 47.4 76.1 64 101 A T E -K 92 0D 63 -2,-0.3 2,-0.4 28,-0.2 28,-0.2 -0.999 8.2-175.6-133.7 144.0 -23.4 46.6 79.1 65 102 A Q E -K 91 0D 127 26,-2.5 26,-3.2 -2,-0.3 2,-0.3 -0.991 5.3-164.2-133.6 148.3 -22.2 43.3 80.5 66 103 A T E +K 90 0D 107 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.868 12.9 165.3-125.7 159.2 -20.3 42.5 83.7 67 104 A A E -K 89 0D 47 22,-1.6 22,-3.5 -2,-0.3 2,-0.4 -0.970 26.3-135.2-167.1 160.3 -18.4 39.4 84.8 68 105 A T E -K 88 0D 93 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.982 16.6-166.2-127.2 135.1 -15.9 38.2 87.4 69 106 A F E +K 87 0D 78 18,-2.4 18,-2.2 -2,-0.4 2,-0.2 -0.978 14.2 164.8-120.6 138.1 -13.0 36.0 86.5 70 107 A D E +K 86 0D 58 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.659 20.5 133.0-155.2 92.6 -10.9 34.2 89.1 71 108 A E E -K 85 0D 122 14,-1.8 14,-2.8 -2,-0.2 2,-0.3 -0.991 40.9-136.8-144.4 148.0 -8.6 31.4 88.0 72 109 A T E -K 84 0D 66 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.807 23.4-178.7-107.2 144.4 -5.0 30.4 88.6 73 110 A W E -K 83 0D 39 10,-2.7 10,-3.3 -2,-0.3 -2,-0.0 -0.926 21.8-125.4-139.5 164.6 -2.6 29.3 85.9 74 111 A Q - 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