==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-FEB-11 2YA1 . COMPND 2 MOLECULE: PUTATIVE ALKALINE AMYLOPULLULANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.LAMMERTS VAN BUEREN,E.FICKO-BLEAN,B.PLUVINAGE,J.H.HEHEMANN . 981 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 189 19.3 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 . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 . 91 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 1 4 0 3 2 1 0 0 0 0 2 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 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 . 15 9 6 5 3 3 5 0 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 . 2 3 2 4 2 0 0 1 0 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 1 130 A A > 0 0 110 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-112.2 -15.8 29.0 57.5 2 131 A H G > + 0 0 72 1,-0.2 3,-0.6 2,-0.1 6,-0.3 0.670 360.0 66.1 -72.4 -19.7 -14.7 27.7 54.0 3 132 A M G 3 S+ 0 0 52 1,-0.3 -1,-0.2 4,-0.1 2,-0.1 0.679 94.0 58.7 -74.1 -18.3 -15.8 31.1 52.8 4 133 A A G < S+ 0 0 86 -3,-0.5 2,-0.3 2,-0.0 -1,-0.3 -0.364 96.1 94.6 -95.2 49.6 -12.9 32.5 54.9 5 134 A S X - 0 0 41 -3,-0.6 3,-0.7 -2,-0.1 -3,-0.0 -0.999 69.7-143.2-148.9 136.7 -10.6 30.3 52.8 6 135 A D T 3 S+ 0 0 131 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.673 98.9 38.8 -69.7 -19.5 -8.5 30.9 49.6 7 136 A N T 3 S+ 0 0 46 55,-0.1 55,-3.1 -5,-0.1 2,-0.4 -0.114 87.3 95.6-138.2 30.7 -9.1 27.5 48.1 8 137 A Y E < -A 61 0A 50 -3,-0.7 2,-0.4 -6,-0.3 53,-0.2 -0.922 49.3-162.1-114.2 153.4 -12.7 26.3 48.7 9 138 A F E -A 60 0A 0 51,-1.5 51,-2.7 -2,-0.4 2,-0.6 -0.994 8.1-146.5-137.4 128.0 -15.4 26.8 46.2 10 139 A R E -Ab 59 97A 36 86,-2.1 88,-2.4 -2,-0.4 2,-0.6 -0.855 8.1-164.7-102.3 119.2 -19.1 26.6 47.0 11 140 A I E -Ab 58 98A 1 47,-2.8 47,-2.4 -2,-0.6 2,-0.3 -0.918 10.1-159.3-102.2 123.2 -21.4 25.2 44.4 12 141 A H E -Ab 57 99A 4 86,-2.2 88,-2.1 -2,-0.6 2,-0.5 -0.820 1.2-152.4-102.4 144.2 -25.1 26.0 45.1 13 142 A V E -Ab 56 100A 2 43,-4.1 43,-1.6 -2,-0.3 3,-0.2 -0.937 13.8-168.3-126.5 114.3 -28.0 24.0 43.6 14 143 A K S S- 0 0 82 86,-2.4 2,-0.4 -2,-0.5 42,-0.2 0.992 82.6 -4.5 -54.5 -72.7 -31.5 25.4 42.9 15 144 A K S S- 0 0 107 85,-0.1 -1,-0.2 86,-0.1 89,-0.1 -0.989 71.8-121.1-131.7 133.2 -33.0 21.9 42.2 16 145 A L - 0 0 23 -2,-0.4 5,-0.0 -3,-0.2 86,-0.0 -0.386 28.3-124.9 -56.9 132.4 -31.5 18.4 42.0 17 146 A P S S+ 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.816 90.0 41.3 -52.7 -34.4 -32.2 16.9 38.6 18 147 A E S S- 0 0 42 2,-0.1 -2,-0.1 1,-0.1 6,-0.1 -0.823 86.5-110.6-122.9 160.4 -33.8 13.8 40.2 19 148 A E S S+ 0 0 171 -2,-0.3 2,-0.6 1,-0.1 -3,-0.1 0.803 96.3 60.8 -53.5 -45.5 -36.1 13.0 43.0 20 149 A N > - 0 0 48 1,-0.1 3,-1.2 3,-0.1 -1,-0.1 -0.803 56.5-167.6-103.7 117.2 -33.7 11.2 45.5 21 150 A K G > S+ 0 0 64 -2,-0.6 3,-1.0 1,-0.3 25,-0.6 0.707 87.5 65.0 -76.6 -22.1 -30.7 13.2 46.8 22 151 A D G 3 S+ 0 0 68 1,-0.2 -1,-0.3 24,-0.2 25,-0.2 0.701 101.8 51.6 -64.1 -26.1 -29.1 10.1 48.3 23 152 A A G < S+ 0 0 2 -3,-1.2 54,-1.6 23,-0.1 2,-0.3 0.319 101.1 78.6 -95.4 7.4 -28.7 8.9 44.7 24 153 A Q E < -E 76 0B 5 -3,-1.0 22,-2.1 52,-0.2 23,-0.4 -0.841 53.5-178.7-123.7 153.3 -27.0 12.0 43.3 25 154 A G E -EF 75 45B 2 50,-2.1 50,-2.4 -2,-0.3 2,-0.7 -0.988 29.9-117.6-150.2 159.1 -23.6 13.5 43.4 26 155 A L E -EF 74 44B 1 18,-3.5 18,-2.9 -2,-0.3 2,-0.5 -0.875 29.3-162.9-102.8 115.4 -21.4 16.4 42.5 27 156 A W E -E 73 0B 37 46,-2.3 46,-1.4 -2,-0.7 2,-0.3 -0.841 12.1-171.9-100.4 127.1 -18.6 15.4 40.1 28 157 A T E +E 72 0B 10 -2,-0.5 8,-2.4 44,-0.2 2,-0.3 -0.906 13.1 157.0-126.7 149.7 -15.7 17.8 39.7 29 158 A W E +E 71 0B 42 42,-2.4 42,-2.2 -2,-0.3 2,-0.2 -0.838 41.7 49.3-152.1-169.8 -12.6 18.2 37.6 30 159 A D E S+E 70 0B 44 -2,-0.3 2,-2.6 40,-0.2 40,-0.2 -0.479 114.3 11.3 64.4-138.1 -10.2 20.7 36.3 31 160 A D S S+ 0 0 34 38,-2.6 32,-1.2 -2,-0.2 2,-0.3 -0.083 96.3 116.3 -74.4 46.6 -8.7 23.0 39.0 32 161 A V B S-I 62 0C 2 -2,-2.6 30,-0.3 30,-0.2 -2,-0.1 -0.719 73.2-117.1-103.3 160.8 -9.9 21.2 42.0 33 162 A E S S+ 0 0 84 28,-2.1 29,-0.1 1,-0.3 -1,-0.1 0.958 105.2 17.5 -61.9 -54.5 -7.6 19.6 44.6 34 163 A K S S- 0 0 136 27,-0.3 -1,-0.3 -5,-0.1 -6,-0.2 -0.837 83.5-144.0-122.4 91.6 -8.8 16.0 44.1 35 164 A P - 0 0 64 0, 0.0 -6,-0.2 0, 0.0 -8,-0.0 -0.270 37.6 -93.0 -57.0 141.6 -10.7 15.6 40.8 36 165 A S - 0 0 22 -8,-2.4 2,-0.3 1,-0.0 7,-0.1 -0.257 51.2-178.1 -57.8 135.3 -13.5 13.1 41.2 37 166 A E + 0 0 117 5,-0.3 5,-0.1 1,-0.2 -9,-0.0 -0.887 47.7 51.0-130.0 169.3 -12.7 9.5 40.3 38 167 A N S > S- 0 0 55 -2,-0.3 4,-2.5 1,-0.1 5,-0.3 0.995 94.6 -99.5 68.2 70.6 -14.5 6.2 40.2 39 168 A W T 4 S- 0 0 42 1,-0.3 464,-0.4 2,-0.2 -1,-0.1 -0.420 89.2 -4.8 -60.6 129.7 -17.6 7.1 38.1 40 169 A P T >4 S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.989 129.3 46.3-102.3 -12.8 -20.2 7.7 39.4 41 170 A N T 34 S+ 0 0 94 1,-0.3 -2,-0.2 36,-0.1 4,-0.1 0.557 94.9 74.3 -76.3 -13.1 -20.0 7.1 43.2 42 171 A G T 3< S+ 0 0 35 -4,-2.5 -1,-0.3 2,-0.1 -5,-0.3 0.519 76.8 107.5 -68.9 -6.8 -16.7 9.0 43.7 43 172 A A S < S- 0 0 11 -3,-1.7 2,-0.7 -5,-0.3 -16,-0.2 -0.294 90.8 -93.9 -65.8 158.1 -18.8 12.1 43.2 44 173 A L E -F 26 0B 84 -18,-2.9 -18,-3.5 1,-0.1 -1,-0.1 -0.667 50.4-125.5 -75.2 116.3 -19.5 14.2 46.3 45 174 A S E > -F 25 0B 49 -2,-0.7 3,-0.6 -20,-0.3 -20,-0.2 -0.345 9.4-145.3 -68.7 144.9 -22.8 13.0 47.5 46 175 A F G > S+ 0 0 1 -22,-2.1 3,-0.6 -25,-0.6 -24,-0.2 0.494 85.1 94.1 -82.3 -5.5 -25.8 15.3 48.1 47 176 A K G 3 S+ 0 0 118 -23,-0.4 -1,-0.2 1,-0.2 -25,-0.1 0.882 99.0 27.6 -50.0 -41.9 -26.7 13.0 51.0 48 177 A D G < S+ 0 0 133 -3,-0.6 -1,-0.2 -27,-0.1 -2,-0.2 0.338 88.8 138.8-108.2 6.7 -24.8 15.3 53.2 49 178 A A < - 0 0 10 -3,-0.6 9,-0.2 -28,-0.1 2,-0.1 -0.248 50.2-130.5 -51.0 128.0 -25.2 18.6 51.3 50 179 A K E -C 57 0A 143 7,-0.9 7,-2.7 6,-0.0 2,-0.4 -0.409 22.1-134.0 -74.8 162.6 -26.0 21.5 53.5 51 180 A K E -C 56 0A 122 5,-0.2 5,-0.2 -2,-0.1 2,-0.2 -0.972 21.9-179.8-128.1 132.6 -28.9 23.7 52.6 52 181 A D - 0 0 51 3,-2.9 3,-0.1 -2,-0.4 5,-0.0 -0.498 54.5 -79.6-111.4-169.4 -29.3 27.6 52.4 53 182 A D S S+ 0 0 171 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.819 131.6 47.8 -64.1 -30.4 -32.4 29.7 51.5 54 183 A Y S S- 0 0 32 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.831 120.6 -95.8 -76.9 -36.7 -31.6 29.0 47.8 55 184 A G - 0 0 6 -3,-0.1 -3,-2.9 -40,-0.0 -1,-0.2 -0.991 68.9 -3.1 153.7-149.2 -31.1 25.2 48.0 56 185 A Y E -AC 13 51A 41 -43,-1.6 -43,-4.1 -2,-0.3 2,-0.3 -0.490 54.3-173.5 -79.9 146.7 -28.3 22.7 48.4 57 186 A Y E -AC 12 50A 40 -7,-2.7 -7,-0.9 -45,-0.3 2,-0.3 -0.988 7.8-168.3-137.0 156.9 -24.7 23.6 48.4 58 187 A L E -A 11 0A 14 -47,-2.4 -47,-2.8 -2,-0.3 2,-0.4 -0.990 16.4-134.8-139.3 144.2 -21.4 21.7 48.4 59 188 A D E -A 10 0A 32 -2,-0.3 2,-0.5 -49,-0.2 -49,-0.2 -0.864 16.2-164.0-108.6 134.8 -17.8 22.8 49.1 60 189 A V E -A 9 0A 12 -51,-2.7 -51,-1.5 -2,-0.4 2,-0.1 -0.963 18.0-127.9-124.1 123.4 -14.9 21.8 46.9 61 190 A K E -A 8 0A 74 -2,-0.5 -28,-2.1 -53,-0.2 -27,-0.3 -0.403 29.4-143.9 -63.7 141.9 -11.2 22.1 47.8 62 191 A L B I 32 0C 5 -55,-3.1 -30,-0.2 -30,-0.3 -55,-0.1 -0.656 360.0 360.0-108.2 164.4 -9.1 23.9 45.2 63 192 A K 0 0 117 -32,-1.2 3,-0.2 -2,-0.2 -29,-0.0 -0.997 360.0 360.0-134.1 360.0 -5.5 23.5 43.9 64 ! 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 65 194 A E 0 0 80 0, 0.0 -58,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 171.7 -3.8 28.5 43.9 66 195 A Q + 0 0 145 -3,-0.2 2,-0.4 -35,-0.0 -35,-0.0 -0.078 360.0 160.8 -99.0 95.0 -3.7 29.5 41.1 67 196 A A + 0 0 3 1,-0.2 3,-0.1 26,-0.1 -35,-0.0 -0.601 4.1 153.6 -77.5 123.5 -7.1 27.9 40.5 68 197 A K + 0 0 110 -2,-0.4 22,-3.7 1,-0.2 2,-0.5 0.725 57.2 47.0-114.7 -42.1 -9.0 29.4 37.5 69 198 A K E - G 0 89B 61 20,-0.2 -38,-2.6 18,-0.0 2,-0.5 -0.924 53.5-177.1-120.6 116.2 -11.3 26.8 36.1 70 199 A I E -EG 30 88B 0 18,-2.5 18,-2.9 -2,-0.5 2,-0.4 -0.956 10.5-168.3-109.6 119.6 -13.7 24.6 38.1 71 200 A S E +EG 29 87B 5 -42,-2.2 -42,-2.4 -2,-0.5 2,-0.3 -0.862 16.7 153.7-108.8 144.3 -15.7 22.0 36.1 72 201 A F E -EG 28 86B 1 14,-2.3 14,-2.9 -2,-0.4 2,-0.3 -0.972 19.2-179.5-159.4 167.4 -18.6 20.0 37.5 73 202 A L E -E 27 0B 7 -46,-1.4 -46,-2.3 -2,-0.3 2,-0.5 -0.941 32.7-110.3-158.6 167.1 -21.9 18.1 36.8 74 203 A I E +E 26 0B 0 10,-0.3 8,-1.6 -2,-0.3 9,-1.1 -0.958 39.4 176.6-107.0 127.2 -24.5 16.3 38.8 75 204 A N E -EH 25 81B 4 -50,-2.4 -50,-2.1 -2,-0.5 2,-0.2 -0.592 16.8-137.8-112.4 176.7 -24.6 12.5 38.3 76 205 A N E > -E 24 0B 2 4,-1.0 3,-0.9 -52,-0.2 -52,-0.2 -0.796 36.6 -96.7-125.3 176.3 -26.6 9.7 39.9 77 206 A T T 3 S+ 0 0 12 -54,-1.6 -36,-0.1 -2,-0.2 -53,-0.1 0.735 126.0 58.3 -57.6 -19.5 -25.8 6.2 41.1 78 207 A A T 3 S- 0 0 11 -55,-0.3 734,-1.0 733,-0.2 735,-0.9 0.374 115.0-131.9 -73.3 -9.6 -27.0 5.1 37.6 79 208 A G < + 0 0 0 -3,-0.9 2,-0.2 732,-0.4 -2,-0.1 0.401 50.9 153.5-100.9 103.9 -24.7 7.0 36.8 80 209 A K - 0 0 102 731,-0.0 2,-1.2 1,-0.0 -4,-1.0 -0.631 53.5-114.7 -85.3 153.9 -26.0 9.3 34.2 81 210 A N B -H 75 0B 65 -2,-0.2 -6,-0.2 -6,-0.2 4,-0.1 -0.792 41.7-177.5 -84.5 92.4 -24.6 12.8 33.6 82 211 A L S S+ 0 0 38 -8,-1.6 -1,-0.2 -2,-1.2 -7,-0.2 0.868 72.9 28.6 -70.3 -42.8 -27.9 14.5 34.7 83 212 A T S S- 0 0 14 -9,-1.1 -1,-0.2 1,-0.2 2,-0.1 0.690 105.2-122.5 -83.7 -24.7 -27.0 18.2 34.1 84 213 A G - 0 0 26 -10,-0.3 -10,-0.3 2,-0.1 -1,-0.2 -0.234 55.8 -41.2 83.7 165.4 -24.5 17.8 31.3 85 214 A D - 0 0 104 -12,-0.1 2,-0.3 -2,-0.1 -12,-0.2 -0.449 63.6-170.3 -68.4 134.0 -21.0 19.2 31.8 86 215 A K E -G 72 0B 53 -14,-2.9 -14,-2.3 -2,-0.2 2,-0.3 -0.871 3.8-168.4-122.0 160.9 -20.8 22.6 33.5 87 216 A S E -G 71 0B 54 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.998 6.3-164.5-149.7 135.7 -17.8 24.9 34.0 88 217 A V E -G 70 0B 11 -18,-2.9 -18,-2.5 -2,-0.3 2,-0.5 -0.997 11.9-147.4-122.9 135.9 -17.1 28.1 36.0 89 218 A E E -G 69 0B 95 -2,-0.4 2,-0.9 -20,-0.2 -20,-0.2 -0.859 22.5-126.5 -95.1 131.3 -14.2 30.5 35.5 90 219 A K - 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