==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-11 3VMP . COMPND 2 MOLECULE: DEXTRANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR N.SUZUKI,Z.FUJIMOTO,Y.M.KIM,M.MOMMA,M.OKUYAMA,H.MORI,K.FUNAN . 632 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 64 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 2 0 0 1 1 0 0 0 0 3 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 3 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 . 9 5 6 2 1 0 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 4 0 3 1 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 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 1 103 A G 0 0 88 0, 0.0 2,-0.3 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0-131.7 6.3 3.4 32.9 2 104 A N - 0 0 58 96,-0.1 3,-0.1 98,-0.0 98,-0.1 -0.875 360.0-132.7-144.4 177.7 5.0 6.9 33.9 3 105 A M S S+ 0 0 107 -2,-0.3 97,-0.1 21,-0.1 95,-0.0 0.029 76.6 106.6-120.8 19.3 1.8 8.9 33.4 4 106 A I - 0 0 0 95,-0.1 20,-2.4 19,-0.1 3,-0.2 0.775 64.6-156.9 -69.0 -27.2 3.6 12.1 32.3 5 107 A N - 0 0 103 1,-0.2 2,-0.3 18,-0.2 17,-0.1 0.908 12.3-161.2 48.7 48.1 2.4 11.4 28.7 6 108 A L + 0 0 11 17,-0.1 2,-0.3 18,-0.1 17,-0.2 -0.439 16.9 175.0 -66.0 117.3 5.3 13.5 27.3 7 109 A T E -A 22 0A 20 15,-2.6 15,-2.7 -2,-0.3 2,-0.3 -0.956 20.1-158.0-132.8 148.6 4.3 14.4 23.7 8 110 A T E -A 21 0A 1 -2,-0.3 13,-0.2 13,-0.2 11,-0.0 -0.879 28.8-121.3-121.9 157.9 5.8 16.6 21.0 9 111 A D S S+ 0 0 71 11,-1.6 2,-0.3 -2,-0.3 12,-0.1 0.786 95.7 24.8 -70.1 -27.6 4.0 18.2 17.9 10 112 A K - 0 0 47 10,-0.2 189,-0.2 1,-0.1 188,-0.1 -0.848 67.6-131.0-130.2 169.2 6.4 16.4 15.5 11 113 A A S S+ 0 0 1 187,-2.9 94,-0.4 -2,-0.3 2,-0.3 0.762 96.2 17.1 -82.8 -31.8 8.6 13.3 15.4 12 114 A V S S- 0 0 12 186,-1.2 2,-0.4 92,-0.1 -1,-0.2 -0.954 72.3-142.3-144.5 157.4 11.5 15.3 14.0 13 115 A Y B -c 106 0B 3 92,-2.2 94,-2.8 -2,-0.3 2,-0.2 -0.962 11.6-134.8-132.5 140.7 12.6 18.9 13.8 14 116 A Q > - 0 0 84 -2,-0.4 3,-2.0 92,-0.2 61,-0.2 -0.599 37.3-115.8 -72.8 149.7 14.4 21.3 11.6 15 117 A A T 3 S+ 0 0 23 1,-0.3 60,-2.4 -2,-0.2 62,-0.4 0.864 117.3 55.2 -59.1 -34.7 16.9 23.5 13.4 16 118 A G T 3 S+ 0 0 50 58,-0.2 2,-0.4 59,-0.1 -1,-0.3 0.218 94.7 93.0 -83.7 16.9 14.9 26.5 12.6 17 119 A E S < S- 0 0 61 -3,-2.0 59,-0.2 56,-0.1 58,-0.1 -0.917 73.5-124.3-114.7 139.9 11.7 25.0 14.2 18 120 A A - 0 0 27 -2,-0.4 2,-0.7 56,-0.1 -4,-0.1 -0.448 20.7-131.5 -73.1 146.5 10.3 25.4 17.7 19 121 A V E - B 0 72A 2 53,-3.2 53,-2.4 -2,-0.1 2,-0.6 -0.911 18.3-159.7 -99.0 113.9 9.7 22.2 19.7 20 122 A H E - B 0 71A 44 -2,-0.7 -11,-1.6 51,-0.2 2,-0.3 -0.879 13.3-170.5 -95.4 119.8 6.3 22.3 21.3 21 123 A L E -AB 8 70A 3 49,-2.2 49,-0.6 -2,-0.6 2,-0.4 -0.771 12.1-164.7-105.8 145.8 6.0 19.9 24.2 22 124 A N E +A 7 0A 47 -15,-2.7 -15,-2.6 -2,-0.3 2,-0.3 -0.996 14.7 172.1-124.0 140.8 3.0 18.8 26.2 23 125 A L - 0 0 0 -2,-0.4 42,-3.0 -17,-0.2 2,-0.6 -0.982 25.5-128.2-144.2 155.8 3.3 17.1 29.5 24 126 A T E -G 64 0C 13 -20,-2.4 2,-0.6 -2,-0.3 40,-0.2 -0.936 9.8-154.2-114.8 125.3 0.9 16.1 32.3 25 127 A L E -G 63 0C 0 38,-2.7 38,-2.4 -2,-0.6 2,-0.6 -0.868 15.4-163.4 -92.1 119.5 1.3 16.9 35.9 26 128 A N E -G 62 0C 14 -2,-0.6 2,-1.7 36,-0.2 36,-0.2 -0.946 16.4-152.1-110.3 113.9 -0.4 14.3 38.1 27 129 A N + 0 0 2 34,-2.9 33,-1.8 -2,-0.6 34,-0.2 -0.685 24.7 170.7 -78.3 82.9 -1.1 15.1 41.7 28 130 A T + 0 0 73 -2,-1.7 2,-0.2 31,-0.1 -1,-0.1 0.146 47.2 94.7 -76.6 17.4 -0.9 11.5 42.7 29 131 A T S S- 0 0 25 2,-0.2 31,-0.8 29,-0.1 32,-0.2 -0.687 81.5-123.0-112.0 166.0 -1.1 12.6 46.4 30 132 A S S S+ 0 0 118 -2,-0.2 2,-0.4 29,-0.2 -2,-0.0 0.335 88.9 82.3 -81.1 3.0 -3.7 13.0 49.1 31 133 A L S S- 0 0 89 27,-0.1 2,-0.4 26,-0.0 -2,-0.2 -0.944 80.0-124.8-122.1 129.9 -2.7 16.7 49.5 32 134 A A + 0 0 30 -2,-0.4 2,-0.3 27,-0.1 26,-0.2 -0.616 59.3 133.7 -66.2 124.7 -3.6 19.8 47.6 33 135 A Q E -D 57 0B 11 24,-2.3 24,-2.8 -2,-0.4 2,-0.3 -0.992 61.5 -73.7-167.2 158.3 -0.3 21.3 46.6 34 136 A N E -D 56 0B 80 22,-0.3 58,-0.5 -2,-0.3 2,-0.4 -0.541 43.3-159.7 -57.2 126.6 2.0 22.8 44.0 35 137 A I E -D 55 0B 0 20,-2.7 20,-2.5 -2,-0.3 2,-0.5 -0.952 8.1-151.2-111.6 132.6 3.2 20.0 41.6 36 138 A T E -DE 54 90B 22 54,-3.4 54,-2.6 -2,-0.4 2,-0.6 -0.914 11.8-163.3-114.9 127.4 6.3 20.8 39.6 37 139 A A E -DE 53 89B 0 16,-3.0 16,-2.8 -2,-0.5 2,-0.4 -0.933 12.5-177.3-104.1 123.0 7.4 19.6 36.1 38 140 A T E -DE 52 88B 21 50,-2.3 50,-2.7 -2,-0.6 2,-0.5 -0.997 3.1-175.3-121.7 120.6 11.1 20.1 35.5 39 141 A A E -DE 51 87B 1 12,-2.5 12,-3.1 -2,-0.4 2,-0.5 -0.970 10.1-157.9-121.2 105.4 12.3 19.1 32.0 40 142 A E E -DE 50 86B 33 46,-3.2 46,-2.5 -2,-0.5 2,-0.7 -0.780 9.1-141.9 -89.0 130.6 16.1 19.4 31.6 41 143 A V E -DE 49 85B 2 8,-2.9 7,-3.0 -2,-0.5 8,-1.5 -0.808 24.9-174.1 -94.2 111.0 17.4 19.7 28.0 42 144 A Y E -DE 47 84B 45 42,-3.1 42,-2.0 -2,-0.7 2,-0.5 -0.849 26.1-164.2-106.3 145.0 20.7 17.8 27.6 43 145 A S E > S-D 46 0B 21 3,-2.7 3,-2.2 -2,-0.4 2,-0.2 -0.950 77.2 -58.1-118.3 101.1 23.1 17.5 24.7 44 146 A L T 3 S- 0 0 17 -2,-0.5 554,-0.1 439,-0.3 40,-0.1 -0.387 122.8 -13.6 53.0-123.4 25.0 14.5 25.7 45 147 A E T 3 S+ 0 0 36 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.642 119.4 93.8 -81.2 -9.1 26.5 15.3 29.1 46 148 A N E < -D 43 0B 92 -3,-2.2 -3,-2.7 1,-0.0 2,-0.8 -0.714 68.6-141.6 -95.9 121.5 25.8 19.0 28.9 47 149 A K E +D 42 0B 107 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.715 22.9 176.3 -79.8 111.6 22.6 20.5 30.3 48 150 A L E + 0 0 83 -7,-3.0 2,-0.3 -2,-0.8 -1,-0.2 0.872 61.8 2.1 -82.0 -41.5 21.6 23.2 27.8 49 151 A K E -D 41 0B 75 -8,-1.5 -8,-2.9 2,-0.0 2,-0.5 -0.973 51.0-145.8-144.2 152.9 18.4 24.2 29.5 50 152 A T E -D 40 0B 71 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 19.9-167.5-113.1 122.8 16.1 23.7 32.4 51 153 A L E +D 39 0B 24 -12,-3.1 -12,-2.5 -2,-0.5 2,-0.3 -0.811 14.5 176.5-100.5 150.2 12.4 24.0 31.6 52 154 A Q E +D 38 0B 129 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.983 16.3 174.3-161.8 136.1 10.0 24.2 34.5 53 155 A Y E -D 37 0B 53 -16,-2.8 -16,-3.0 -2,-0.3 2,-0.4 -0.985 10.3-161.2-148.5 136.4 6.4 24.7 35.3 54 156 A T E -D 36 0B 63 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.950 7.9-179.5-123.3 135.0 4.4 24.6 38.6 55 157 A K E -D 35 0B 76 -20,-2.5 -20,-2.7 -2,-0.4 2,-0.5 -0.997 28.1-127.9-131.2 135.2 0.7 24.1 39.0 56 158 A Y E -D 34 0B 131 -2,-0.4 2,-0.4 -22,-0.3 -22,-0.3 -0.648 39.2-177.5 -75.0 121.2 -1.3 24.0 42.3 57 159 A L E -D 33 0B 0 -24,-2.8 -24,-2.3 -2,-0.5 3,-0.1 -0.977 24.7-129.2-131.6 139.6 -3.4 20.8 42.1 58 160 A L > - 0 0 94 -2,-0.4 3,-2.2 -26,-0.2 -31,-0.2 -0.261 57.7 -63.6 -69.6 165.7 -6.0 19.3 44.3 59 161 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -29,-0.2 -0.295 124.4 4.2 -56.3 134.5 -5.6 15.6 45.3 60 162 A N T 3 S+ 0 0 132 -33,-1.8 2,-0.2 -31,-0.8 -32,-0.1 0.478 99.5 136.5 67.1 5.6 -5.9 13.3 42.3 61 163 A E < - 0 0 84 -3,-2.2 -34,-2.9 -34,-0.2 2,-0.3 -0.589 35.2-164.8 -83.0 140.2 -6.1 16.3 39.9 62 164 A S E -G 26 0C 63 -2,-0.2 2,-0.4 -36,-0.2 -36,-0.2 -0.931 6.9-163.7-121.8 153.7 -4.0 16.3 36.7 63 165 A Y E -G 25 0C 35 -38,-2.4 -38,-2.7 -2,-0.3 2,-0.5 -0.968 8.3-152.8-138.2 122.9 -3.1 19.2 34.3 64 166 A T E -G 24 0C 69 -2,-0.4 -40,-0.2 -40,-0.2 -59,-0.0 -0.829 31.8-115.4 -92.8 126.1 -1.8 18.8 30.8 65 167 A T - 0 0 2 -42,-3.0 2,-0.1 -2,-0.5 3,-0.1 -0.296 32.2-130.0 -62.9 143.0 0.3 21.8 29.8 66 168 A Q >> - 0 0 118 1,-0.2 3,-2.6 -44,-0.1 4,-0.5 -0.423 37.7 -66.2 -95.4 165.8 -1.0 23.9 26.9 67 169 A K T 34 S+ 0 0 167 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 -0.240 124.3 21.9 -49.3 132.2 0.5 25.2 23.7 68 170 A G T 34 S+ 0 0 50 2,-0.3 -1,-0.3 -47,-0.1 3,-0.2 0.086 98.3 94.8 96.3 -23.3 3.2 27.7 24.6 69 171 A E T <4 S+ 0 0 69 -3,-2.6 2,-0.5 1,-0.3 -2,-0.1 0.930 94.2 25.0 -78.7 -46.3 3.8 26.4 28.1 70 172 A F E < S+B 21 0A 4 -49,-0.6 -49,-2.2 -4,-0.5 2,-0.3 -0.984 85.5 151.6-109.6 117.2 6.8 24.0 27.5 71 173 A V E -B 20 0A 38 -2,-0.5 -51,-0.2 -3,-0.2 -53,-0.0 -0.999 40.2-152.6-140.0 142.3 8.6 25.1 24.3 72 174 A I E -B 19 0A 1 -53,-2.4 -53,-3.2 -2,-0.3 4,-0.1 -0.965 39.3-129.3-105.7 111.2 12.2 24.9 23.0 73 175 A P > - 0 0 71 0, 0.0 3,-0.9 0, 0.0 4,-0.2 -0.078 26.4 -87.8 -59.1 155.3 12.4 27.9 20.6 74 176 A A T 3 S+ 0 0 37 1,-0.2 -58,-0.2 -58,-0.2 -56,-0.1 -0.208 114.1 26.7 -50.3 149.3 13.7 27.8 17.0 75 177 A N T 3 S+ 0 0 137 -60,-2.4 -1,-0.2 -61,-0.2 -59,-0.1 0.769 90.5 109.2 61.7 27.6 17.4 28.1 16.6 76 178 A S < + 0 0 40 -3,-0.9 2,-0.4 -61,-0.4 -2,-0.1 0.660 70.0 55.1 -97.3 -26.1 18.0 26.7 20.2 77 179 A L S S- 0 0 16 -62,-0.4 -2,-0.1 -4,-0.2 -1,-0.1 -0.898 85.0-115.2-119.2 137.0 19.5 23.4 19.0 78 180 A A - 0 0 59 -2,-0.4 3,-0.4 1,-0.1 28,-0.1 -0.420 45.4 -99.3 -64.9 149.2 22.4 22.6 16.8 79 181 A N S S+ 0 0 57 1,-0.2 28,-0.2 -2,-0.1 -1,-0.1 -0.283 96.0 19.2 -75.9 149.6 21.5 20.8 13.5 80 182 A N S S+ 0 0 38 1,-0.2 2,-0.3 -2,-0.0 27,-0.2 0.900 98.5 118.2 59.8 47.5 21.7 17.0 12.9 81 183 A R E - F 0 106B 67 25,-1.5 25,-2.6 -3,-0.4 2,-0.4 -0.971 58.2-129.6-141.4 151.0 21.9 16.1 16.6 82 184 A G E - F 0 105B 0 -2,-0.3 2,-0.3 401,-0.2 -38,-0.3 -0.809 25.4-172.1 -96.0 146.8 20.0 14.1 19.2 83 185 A Y E - F 0 104B 5 21,-2.4 21,-2.7 -2,-0.4 2,-0.4 -0.910 15.7-131.6-131.6 160.8 19.0 15.5 22.5 84 186 A L E -EF 42 103B 6 -42,-2.0 -42,-3.1 -2,-0.3 2,-0.7 -0.967 3.5-158.0-118.9 132.8 17.5 14.3 25.7 85 187 A L E -EF 41 102B 1 17,-3.2 17,-2.4 -2,-0.4 2,-0.7 -0.918 14.0-163.7-103.0 112.8 14.6 15.8 27.7 86 188 A K E -EF 40 101B 38 -46,-2.5 -46,-3.2 -2,-0.7 2,-0.5 -0.884 10.8-165.4-104.3 108.0 15.0 14.5 31.3 87 189 A V E +EF 39 100B 0 13,-2.0 13,-2.1 -2,-0.7 2,-0.4 -0.896 13.5 178.7-105.7 130.0 11.7 15.1 33.1 88 190 A N E -EF 38 99B 22 -50,-2.7 -50,-2.3 -2,-0.5 2,-0.5 -0.997 14.4-155.2-120.9 130.5 11.0 14.9 36.9 89 191 A I E -EF 37 98B 0 9,-3.6 8,-2.2 -2,-0.4 9,-1.3 -0.929 23.7-178.6-102.6 129.0 7.7 15.6 38.4 90 192 A S E -EF 36 96B 19 -54,-2.6 -54,-3.4 -2,-0.5 6,-0.2 -0.921 20.2-134.4-131.2 152.5 8.0 16.7 42.0 91 193 A D > - 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