==== 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 29-AUG-08 2JKP . 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) . 46561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 926 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 . 125 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.2 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 4 2 0 2 2 5 0 0 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 6 5 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 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 0 4 0 1 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 0 150 0, 0.0 2,-0.4 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 129.1 -23.9 57.9 84.8 2 23 A Q E -A 15 0A 52 13,-3.6 13,-2.9 87,-0.0 2,-0.4 -0.735 360.0-164.0-103.7 140.4 -22.3 54.6 85.4 3 24 A K E +A 14 0A 128 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.967 7.5 178.8-123.5 131.1 -20.4 53.4 88.5 4 25 A L E -A 13 0A 13 9,-2.7 9,-3.4 -2,-0.4 2,-0.3 -0.995 9.0-170.8-127.4 136.8 -18.0 50.4 88.7 5 26 A T E -A 12 0A 48 -2,-0.4 7,-0.2 7,-0.2 103,-0.2 -0.939 25.1-107.9-130.7 152.7 -16.2 49.5 91.8 6 27 A S > - 0 0 1 5,-2.1 3,-2.3 -2,-0.3 103,-0.1 -0.359 38.0-104.8 -70.9 158.3 -13.5 47.0 92.7 7 28 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 79,-0.1 0.846 123.2 46.8 -49.1 -41.2 -14.3 43.8 94.6 8 29 A D T 3 S- 0 0 59 1,-0.0 -2,-0.1 3,-0.0 101,-0.0 0.216 110.8-122.7 -91.4 13.6 -12.7 45.3 97.8 9 30 A N S < S+ 0 0 120 -3,-2.3 -1,-0.0 2,-0.1 101,-0.0 0.417 82.2 111.1 65.4 3.2 -14.6 48.6 97.4 10 31 A N + 0 0 61 20,-0.1 20,-3.3 19,-0.1 2,-0.4 0.665 68.9 57.5 -86.0 -13.0 -11.4 50.7 97.3 11 32 A L E - B 0 29A 0 18,-0.2 -5,-2.1 19,-0.1 2,-0.4 -0.955 59.8-173.1-121.9 132.3 -11.6 51.7 93.7 12 33 A V E -AB 5 28A 33 16,-1.7 16,-2.6 -2,-0.4 2,-0.5 -0.989 4.4-166.5-124.7 131.5 -14.5 53.5 91.9 13 34 A M E -AB 4 27A 0 -9,-3.4 -9,-2.7 -2,-0.4 2,-0.5 -0.977 8.5-162.8-116.0 124.9 -14.7 54.1 88.1 14 35 A T E -AB 3 26A 8 12,-1.8 12,-1.3 -2,-0.5 2,-0.4 -0.936 7.4-171.9-112.2 127.9 -17.3 56.5 87.0 15 36 A F E +AB 2 25A 0 -13,-2.9 -13,-3.6 -2,-0.5 2,-0.3 -0.969 14.9 145.8-123.1 137.9 -18.4 56.6 83.3 16 37 A Q E - B 0 24A 52 8,-2.2 8,-2.9 -2,-0.4 2,-0.4 -0.980 43.6-118.1-156.1 162.1 -20.6 59.0 81.4 17 38 A V E - B 0 23A 40 -2,-0.3 39,-0.0 6,-0.2 43,-0.0 -0.869 39.0-133.2 -97.8 137.2 -21.0 60.6 78.0 18 39 A D > - 0 0 62 4,-2.3 3,-2.1 -2,-0.4 -1,-0.1 -0.172 35.0 -83.4 -83.8-173.9 -20.7 64.4 78.2 19 40 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.729 130.8 53.0 -67.1 -18.8 -22.9 67.0 76.7 20 41 A K T 3 S- 0 0 145 2,-0.1 37,-1.9 37,-0.0 -1,-0.3 0.449 121.3-105.5 -91.5 -0.6 -21.0 66.6 73.4 21 42 A G S < S+ 0 0 7 -3,-2.1 37,-2.5 1,-0.3 -2,-0.1 0.636 71.7 147.0 81.4 16.2 -21.5 62.9 73.3 22 43 A A - 0 0 9 34,-0.2 -4,-2.3 35,-0.2 -1,-0.3 -0.750 51.0-124.2 -83.2 124.3 -17.8 62.2 74.3 23 44 A P E -B 17 0A 0 0, 0.0 17,-1.7 0, 0.0 2,-0.4 -0.423 37.5-178.4 -66.0 133.4 -17.3 59.1 76.4 24 45 A T E -BC 16 39A 12 -8,-2.9 -8,-2.2 15,-0.2 2,-0.3 -0.991 9.2-178.4-136.8 147.7 -15.5 60.2 79.6 25 46 A Y E -BC 15 38A 0 13,-2.6 13,-2.9 -2,-0.4 2,-0.3 -0.916 5.2-172.7-137.7 166.2 -14.2 58.2 82.6 26 47 A E E -B 14 0A 42 -12,-1.3 -12,-1.8 -2,-0.3 2,-0.4 -0.966 10.0-149.2-155.2 162.4 -12.5 58.9 85.9 27 48 A L E -BC 13 35A 0 8,-2.1 7,-3.4 -2,-0.3 8,-2.0 -0.997 6.4-168.3-143.3 131.5 -11.0 56.7 88.6 28 49 A T E -BC 12 33A 31 -16,-2.6 -16,-1.7 -2,-0.4 2,-0.4 -0.908 5.7-160.4-120.5 151.2 -10.6 57.1 92.4 29 50 A Y E > S-BC 11 32A 12 3,-3.0 3,-2.4 -2,-0.3 -18,-0.2 -0.990 79.7 -21.7-130.7 117.1 -8.6 55.0 94.8 30 51 A K T 3 S- 0 0 83 -20,-3.3 -19,-0.1 -2,-0.4 -1,-0.1 0.885 129.5 -50.0 46.3 48.9 -9.5 55.1 98.5 31 52 A N T 3 S+ 0 0 162 -21,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.584 116.0 117.5 62.9 14.1 -11.2 58.5 97.9 32 53 A K E < S-C 29 0A 81 -3,-2.4 -3,-3.0 167,-0.0 -1,-0.2 -0.932 71.2-117.2-107.5 135.4 -8.2 59.9 96.0 33 54 A V E +C 28 0A 47 -2,-0.4 -5,-0.3 -5,-0.2 107,-0.2 -0.515 37.4 168.9 -65.6 129.6 -8.6 60.9 92.4 34 55 A V E S+ 0 0 0 -7,-3.4 2,-0.5 1,-0.4 106,-0.4 0.696 76.1 24.5-105.0 -48.6 -6.2 58.7 90.3 35 56 A I E S-C 27 0A 0 -8,-2.0 -8,-2.1 104,-0.1 -1,-0.4 -0.986 79.5-147.3-117.7 119.0 -7.6 59.7 86.9 36 57 A K E -D 138 0B 51 102,-2.6 102,-0.6 -2,-0.5 -11,-0.2 -0.311 58.2 -55.1 -69.9 168.8 -9.5 63.1 86.6 37 58 A P E S+ 0 0 81 0, 0.0 2,-0.4 0, 0.0 -11,-0.2 -0.252 74.9 176.8 -55.4 124.1 -12.3 63.1 84.1 38 59 A S E -C 25 0A 1 -13,-2.9 -13,-2.6 -3,-0.1 2,-0.1 -0.987 22.4-126.4-137.0 139.0 -10.7 62.0 80.8 39 60 A T E -C 24 0A 42 -2,-0.4 97,-2.6 -15,-0.2 2,-0.3 -0.378 15.1-158.2 -88.3 165.0 -12.1 61.3 77.3 40 61 A L + 0 0 2 -17,-1.7 2,-0.3 95,-0.2 95,-0.2 -0.963 35.5 97.2-136.6 150.0 -11.9 58.2 75.1 41 62 A G - 0 0 0 -2,-0.3 93,-3.1 -19,-0.1 14,-0.3 -0.895 48.2-117.3 154.5 174.4 -12.3 57.8 71.3 42 63 A L E -IJ 54 133C 0 12,-1.9 12,-1.8 -2,-0.3 2,-0.4 -0.914 10.9-135.2-135.9 164.1 -10.4 57.6 68.1 43 64 A E E -IJ 53 132C 54 89,-2.4 88,-2.4 -2,-0.3 89,-1.8 -0.989 27.0-150.9-118.7 131.1 -10.2 59.6 64.8 44 65 A L E - J 0 130C 7 8,-2.4 86,-0.3 -2,-0.4 2,-0.2 -0.652 21.9-101.3-103.6 157.2 -10.3 57.4 61.7 45 66 A K - 0 0 79 84,-3.1 84,-0.3 -2,-0.2 2,-0.1 -0.521 44.8-101.0 -76.0 143.3 -8.7 58.1 58.4 46 67 A K 0 0 84 -2,-0.2 -1,-0.1 1,-0.1 4,-0.0 -0.444 360.0 360.0 -64.6 140.2 -11.0 59.5 55.6 47 68 A E 0 0 178 -2,-0.1 -1,-0.1 -3,-0.0 5,-0.0 0.008 360.0 360.0 -68.0 360.0 -12.1 56.9 53.0 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 0 172 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -78.7 -15.8 63.7 56.8 50 88 A S G > + 0 0 54 1,-0.3 3,-1.4 2,-0.2 48,-0.1 0.740 360.0 67.7 -67.4 -23.4 -18.1 62.7 59.7 51 89 A K G 3 S+ 0 0 97 1,-0.2 -1,-0.3 46,-0.1 -7,-0.1 0.678 90.0 66.1 -66.6 -16.6 -17.1 59.0 59.5 52 90 A T G < S+ 0 0 28 -3,-2.2 -8,-2.4 -9,-0.1 2,-0.7 0.664 84.1 89.3 -71.9 -19.2 -13.6 60.1 60.7 53 91 A N E < +I 43 0C 14 -3,-1.4 -10,-0.2 -4,-0.3 45,-0.0 -0.742 34.1 146.4 -85.7 113.1 -15.1 61.1 64.0 54 92 A L E +I 42 0C 0 -12,-1.8 -12,-1.9 -2,-0.7 -1,-0.1 -0.206 60.7 76.9-130.3 41.0 -15.2 58.2 66.6 55 93 A Y S S+ 0 0 91 -14,-0.3 2,-0.3 1,-0.2 -15,-0.2 0.538 97.8 7.6-128.0 -21.4 -14.6 60.5 69.6 56 94 A D S S+ 0 0 42 -34,-0.2 -35,-0.2 1,-0.1 -34,-0.2 -0.879 87.2 70.2-149.6-171.3 -17.9 62.2 70.3 57 95 A G S S+ 0 0 26 -37,-1.9 40,-0.4 -2,-0.3 2,-0.2 0.770 72.5 138.3 69.1 23.2 -21.6 62.3 69.4 58 96 A F - 0 0 8 -37,-2.5 2,-0.3 37,-0.2 -1,-0.2 -0.650 35.8-165.2 -92.5 158.3 -22.1 59.0 71.1 59 97 A E E -K 94 0D 109 35,-1.9 35,-2.7 -2,-0.2 2,-0.5 -0.986 32.1-102.4-138.7 149.3 -25.0 58.0 73.3 60 98 A V E +K 93 0D 58 -2,-0.3 33,-0.2 33,-0.2 3,-0.1 -0.595 39.3 171.8 -75.3 121.2 -25.2 55.0 75.7 61 99 A K E - 0 0 127 31,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.685 64.3 -13.1-100.2 -25.9 -27.4 52.3 74.0 62 100 A D E -K 92 0D 69 30,-1.2 30,-2.6 2,-0.0 -1,-0.4 -0.976 53.9-156.2-170.0 158.8 -26.8 49.5 76.5 63 101 A T E -K 91 0D 44 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.987 7.1-169.7-142.5 146.6 -24.6 48.4 79.4 64 102 A Q E -K 90 0D 108 26,-2.3 26,-3.4 -2,-0.3 2,-0.2 -0.994 3.5-164.8-138.7 144.3 -23.8 45.1 80.8 65 103 A T E +K 89 0D 107 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.654 14.0 159.0-118.4 173.3 -22.0 44.1 84.0 66 104 A A E -K 88 0D 51 22,-1.1 22,-3.6 -2,-0.2 2,-0.3 -0.880 26.0-134.0 172.7 155.2 -20.4 40.8 85.2 67 105 A T E -K 87 0D 97 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.941 15.6-169.3-127.0 153.6 -17.9 39.5 87.7 68 106 A F E +K 86 0D 82 18,-1.9 18,-1.8 -2,-0.3 2,-0.2 -0.997 11.9 168.2-145.0 140.8 -15.1 37.0 87.3 69 107 A D E +K 85 0D 61 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.679 22.3 135.4-157.9 97.4 -12.9 35.2 89.8 70 108 A E E -K 84 0D 118 14,-1.5 14,-3.3 -2,-0.2 2,-0.3 -0.974 39.4-134.4-142.2 152.3 -10.7 32.3 88.7 71 109 A T E +K 83 0D 64 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.732 22.6 179.0-106.9 160.2 -7.2 31.2 89.2 72 110 A W E -K 82 0D 42 10,-2.3 10,-3.4 -2,-0.3 -2,-0.0 -0.959 22.4-125.0-155.2 159.7 -4.7 30.0 86.6 73 111 A Q - 0 0 106 -2,-0.3 8,-0.2 8,-0.2 7,-0.1 -0.961 15.8-140.7-121.1 124.2 -1.1 28.8 86.5 74 112 A P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 405,-0.1 -0.385 22.0-124.1 -72.8 159.5 1.6 30.2 84.2 75 113 A V S S- 0 0 48 1,-0.3 2,-0.3 404,-0.1 404,-0.0 0.835 97.4 -1.1 -72.2 -34.5 4.1 27.8 82.7 76 114 A W S S+ 0 0 18 209,-0.1 -1,-0.3 509,-0.0 2,-0.3 -0.964 89.9 114.3-145.7 156.1 6.8 29.8 84.3 77 115 A G S S- 0 0 8 -2,-0.3 509,-1.3 -3,-0.1 480,-0.1 -0.992 73.5 -60.8 169.8-166.4 6.6 33.0 86.5 78 116 A E S S+ 0 0 38 -2,-0.3 2,-0.3 507,-0.1 527,-0.2 0.589 115.9 14.2 -86.9 -13.4 7.1 34.7 89.8 79 117 A E S S- 0 0 33 509,-0.1 509,-0.3 1,-0.1 508,-0.2 -0.983 76.0-113.0-150.8 169.9 4.6 32.4 91.5 80 118 A K S S+ 0 0 106 507,-2.1 2,-0.4 -2,-0.3 508,-0.1 0.841 96.3 24.9 -67.6 -33.2 2.8 29.1 90.9 81 119 A E - 0 0 102 506,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.986 60.9-159.3-144.3 141.8 -0.7 30.5 90.6 82 120 A I E -K 72 0D 8 -10,-3.4 -10,-2.3 -2,-0.4 2,-0.5 -0.956 14.5-139.9-125.5 139.9 -2.3 33.8 89.7 83 121 A R E -K 71 0D 151 -2,-0.4 2,-0.7 -12,-0.2 -12,-0.2 -0.864 6.2-158.3-102.7 128.0 -5.8 34.9 90.6 84 122 A N E +K 70 0D 8 -14,-3.3 -14,-1.5 -2,-0.5 2,-0.5 -0.833 27.3 160.4-104.5 99.9 -7.9 36.8 88.0 85 123 A H E +K 69 0D 43 -2,-0.7 25,-0.4 -16,-0.2 2,-0.3 -0.906 8.0 133.6-133.7 106.7 -10.5 38.8 89.9 86 124 A Y E -K 68 0D 12 -18,-1.8 -18,-1.9 -2,-0.5 2,-0.4 -0.989 46.3-124.9-149.3 155.8 -12.5 41.8 88.6 87 125 A N E -KL 67 108D 29 21,-2.3 21,-2.5 -2,-0.3 2,-0.3 -0.890 36.5-149.7 -96.7 138.8 -15.8 43.5 88.2 88 126 A E E -KL 66 107D 18 -22,-3.6 -22,-1.1 -2,-0.4 2,-0.4 -0.811 20.1-176.1-115.1 146.4 -16.7 44.4 84.7 89 127 A L E -KL 65 106D 3 17,-2.3 17,-3.2 -2,-0.3 2,-0.5 -0.971 6.7-169.2-133.5 124.7 -18.8 47.0 82.9 90 128 A A E -KL 64 105D 6 -26,-3.4 -26,-2.3 -2,-0.4 2,-0.5 -0.954 6.6-163.3-111.1 131.4 -19.3 47.0 79.1 91 129 A V E -KL 63 104D 0 13,-2.7 13,-1.9 -2,-0.5 2,-0.6 -0.945 8.2-151.8-120.8 113.4 -20.9 50.1 77.5 92 130 A T E -KL 62 103D 18 -30,-2.6 -31,-3.2 -2,-0.5 -30,-1.2 -0.739 16.5-163.8 -85.0 117.6 -22.4 50.1 74.0 93 131 A L E -KL 60 102D 0 9,-3.4 9,-2.3 -2,-0.6 2,-0.4 -0.907 1.4-159.7-107.6 127.3 -22.1 53.5 72.4 94 132 A Y E -KL 59 101D 55 -35,-2.7 -35,-1.9 -2,-0.5 7,-0.2 -0.855 6.0-154.7-109.7 137.5 -24.2 54.4 69.4 95 133 A Q E >>> - 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