==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-AUG-13 4MAZ . COMPND 2 MOLECULE: OLIGO-1,6-GLUCOSIDASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR J.K.HOBBS,W.JIAO,A.D.EASTER,E.J.PARKER,L.A.SCHIPPER,V.L.ARCU . 559 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 1 2 0 1 0 1 2 0 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 4 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 . 4 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 1 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 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 3 A E >> 0 0 120 0, 0.0 3,-1.7 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 134.1 2.8 -17.5 0.9 2 4 A W T 34 + 0 0 56 1,-0.3 4,-0.5 2,-0.2 3,-0.2 0.730 360.0 61.9 -59.6 -26.6 -0.2 -15.5 1.7 3 5 A W T 34 S+ 0 0 26 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.746 99.0 55.3 -74.2 -23.2 1.3 -14.2 4.9 4 6 A K T <4 S+ 0 0 47 -3,-1.7 -1,-0.2 1,-0.2 357,-0.2 0.793 115.1 40.1 -73.7 -28.2 4.2 -12.4 3.0 5 7 A E S < S+ 0 0 64 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.378 96.8 110.0-100.4 -0.8 1.6 -10.6 1.0 6 8 A A - 0 0 0 -4,-0.5 2,-0.4 -3,-0.2 36,-0.1 -0.307 54.0-152.4 -80.7 156.7 -0.8 -9.8 3.7 7 9 A V - 0 0 1 34,-0.2 36,-1.7 355,-0.1 37,-1.5 -0.995 24.1-149.5-119.7 125.8 -1.8 -6.5 5.4 8 10 A V E -ab 44 364A 0 355,-2.5 357,-3.0 -2,-0.4 2,-0.5 -0.780 9.0-156.4-103.3 134.4 -2.9 -7.2 9.0 9 11 A Y E -ab 45 365A 0 35,-2.9 37,-2.4 -2,-0.4 2,-0.7 -0.947 14.0-147.2-104.7 124.1 -5.4 -5.2 10.9 10 12 A Q E -ab 46 366A 2 355,-2.9 357,-2.2 -2,-0.5 2,-0.4 -0.815 11.7-162.7 -94.3 122.8 -5.1 -5.5 14.7 11 13 A I E -a 47 0A 0 35,-2.5 37,-2.6 -2,-0.7 3,-0.1 -0.833 15.4-160.8-101.2 135.2 -8.3 -5.3 16.6 12 14 A Y > - 0 0 4 -2,-0.4 3,-2.3 35,-0.2 13,-0.1 -0.895 21.5-162.6-106.9 88.7 -8.4 -4.6 20.4 13 15 A P G >> S+ 0 0 3 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.743 77.6 61.6 -66.1 -25.0 -11.9 -5.9 20.7 14 16 A R G 34 S+ 0 0 20 1,-0.3 11,-3.0 44,-0.1 425,-0.2 0.771 118.3 34.8 -68.2 -15.3 -12.9 -4.4 24.1 15 17 A S G <4 S+ 0 0 0 -3,-2.3 408,-2.6 9,-0.2 -1,-0.3 0.138 103.2 76.2-118.9 12.5 -12.4 -1.1 22.4 16 18 A F T <4 S- 0 0 0 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.913 106.5 -19.7 -94.0 -64.9 -13.5 -1.7 18.8 17 19 A Y < - 0 0 50 -4,-0.6 9,-2.1 9,-0.2 2,-1.0 -0.932 49.3-151.8-148.5 128.3 -17.3 -1.8 18.6 18 20 A D + 0 0 4 415,-2.2 3,-0.5 -2,-0.3 417,-0.3 -0.741 18.7 172.9 -95.2 95.7 -19.9 -2.4 21.4 19 21 A A S S+ 0 0 38 -2,-1.0 -1,-0.2 1,-0.2 6,-0.1 0.839 74.7 47.4 -72.6 -31.7 -23.0 -3.9 19.7 20 22 A N S S- 0 0 109 4,-0.3 -1,-0.2 414,-0.0 414,-0.1 0.411 104.4-117.9-102.8 5.7 -25.0 -4.7 22.9 21 23 A G S S+ 0 0 29 -3,-0.5 416,-0.4 3,-0.1 -2,-0.1 0.431 79.2 116.7 89.6 3.5 -24.7 -1.4 24.8 22 24 A D S S- 0 0 74 2,-0.3 3,-0.1 414,-0.2 -1,-0.1 0.394 87.1-111.0 -87.0 5.3 -22.8 -2.4 28.0 23 25 A G S S+ 0 0 1 1,-0.2 416,-2.3 -5,-0.1 2,-0.5 0.406 88.1 106.4 80.9 4.5 -19.8 -0.2 27.0 24 26 A F S S- 0 0 12 414,-0.2 -4,-0.3 415,-0.1 -2,-0.3 -0.945 75.3-118.3-118.4 119.5 -17.5 -3.1 26.3 25 27 A G - 0 0 0 -11,-3.0 -7,-0.3 -2,-0.5 2,-0.3 -0.262 39.5-166.3 -63.9 146.5 -16.6 -4.0 22.7 26 28 A D > - 0 0 8 -9,-2.1 4,-2.0 1,-0.1 -9,-0.2 -0.795 35.0-101.9-135.0 174.4 -17.8 -7.5 21.7 27 29 A L H > S+ 0 0 0 45,-2.4 4,-2.3 -2,-0.3 5,-0.1 0.911 120.4 52.1 -74.5 -35.5 -17.5 -10.2 19.1 28 30 A Q H > S+ 0 0 53 44,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.860 107.3 56.7 -64.7 -34.0 -20.8 -9.3 17.4 29 31 A G H > S+ 0 0 0 -12,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.930 106.1 47.9 -58.4 -45.5 -19.5 -5.8 17.2 30 32 A V H >X S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 4,-0.5 0.935 109.4 54.1 -59.5 -49.5 -16.4 -7.0 15.3 31 33 A I H >< S+ 0 0 11 -4,-2.3 3,-1.6 1,-0.3 4,-0.3 0.927 106.7 51.8 -49.6 -47.6 -18.7 -9.0 13.0 32 34 A Q H 3< S+ 0 0 115 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.648 111.6 46.7 -70.6 -14.3 -20.7 -5.8 12.2 33 35 A K H S+ 0 0 100 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.874 103.7 54.2 -62.1 -36.8 -17.1 -4.7 6.0 36 38 A Y H > S+ 0 0 25 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.932 110.0 45.6 -60.0 -45.9 -15.3 -1.6 7.1 37 39 A I H X>S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 5,-1.1 0.918 112.6 50.4 -68.1 -40.3 -12.0 -3.5 7.5 38 40 A K H <5S+ 0 0 109 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 108.5 52.4 -65.1 -36.8 -12.4 -5.2 4.2 39 41 A N H <5S+ 0 0 87 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.899 106.1 54.1 -66.9 -37.3 -13.1 -1.9 2.4 40 42 A L H <5S- 0 0 1 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.934 119.1-120.9 -56.5 -42.5 -9.9 -0.5 4.0 41 43 A G T <5 + 0 0 10 -4,-2.1 -3,-0.2 1,-0.3 -34,-0.2 0.393 61.0 143.7 120.6 -0.5 -8.2 -3.5 2.4 42 44 A A < - 0 0 2 -5,-1.1 -1,-0.3 1,-0.1 -34,-0.2 -0.429 28.0-168.7 -67.2 142.6 -6.6 -5.5 5.2 43 45 A D + 0 0 44 -36,-1.7 48,-2.2 1,-0.2 2,-0.4 0.426 68.6 52.9-111.7 -6.9 -6.9 -9.3 4.4 44 46 A V E -ac 8 91A 0 -37,-1.5 -35,-2.9 46,-0.2 2,-0.4 -0.995 65.2-159.4-127.8 135.7 -5.8 -10.6 7.9 45 47 A I E -ac 9 92A 2 46,-2.4 48,-3.4 -2,-0.4 2,-0.6 -0.977 2.2-160.1-111.5 135.4 -7.2 -9.7 11.3 46 48 A W E -ac 10 93A 2 -37,-2.4 -35,-2.5 -2,-0.4 2,-0.6 -0.964 13.8-156.8-109.5 120.9 -5.3 -10.2 14.5 47 49 A L E -ac 11 94A 1 46,-2.4 48,-0.6 -2,-0.6 3,-0.2 -0.858 13.6-129.7-101.4 119.5 -7.6 -10.2 17.4 48 50 A S - 0 0 2 -37,-2.6 47,-0.1 -2,-0.6 11,-0.1 -0.188 60.6 -57.9 -59.2 160.6 -6.2 -9.3 20.9 49 51 A P + 0 0 4 0, 0.0 -1,-0.2 0, 0.0 47,-0.1 -0.228 52.2 169.5 -74.5 135.0 -7.3 -12.0 23.4 50 52 A V + 0 0 0 -3,-0.2 19,-2.9 45,-0.1 22,-0.2 0.317 39.7 119.9-113.8 2.7 -11.0 -12.7 24.0 51 53 A F E S-H 68 0B 3 17,-0.3 17,-0.3 8,-0.2 14,-0.2 -0.135 82.1 -70.6 -68.2 161.5 -10.6 -15.9 26.0 52 54 A D E S+H 64 0B 55 15,-2.4 11,-2.6 12,-1.0 12,-1.2 -0.331 71.9 149.9 -59.8 140.0 -12.0 -16.0 29.6 53 55 A S - 0 0 2 9,-0.3 9,-0.2 10,-0.2 7,-0.0 -0.935 56.7-124.1-168.7 142.4 -9.9 -13.8 31.8 54 56 A P - 0 0 45 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.465 52.7-121.6 -76.6 -0.8 -10.5 -11.7 35.0 55 57 A Q > + 0 0 20 6,-0.5 3,-1.2 2,-0.1 7,-0.1 0.679 66.7 141.3 74.2 24.0 -9.0 -8.8 33.0 56 58 A D T 3 S+ 0 0 53 1,-0.3 330,-0.3 5,-0.2 109,-0.1 0.914 94.9 18.2 -60.2 -38.3 -6.1 -8.0 35.3 57 59 A D T > S- 0 0 8 107,-0.1 3,-2.0 328,-0.1 -1,-0.3 -0.324 124.4 -98.0-125.3 43.7 -4.1 -7.3 32.1 58 60 A N T < S- 0 0 14 -3,-1.2 -44,-0.1 1,-0.3 -2,-0.1 0.842 92.5 -28.9 43.7 51.3 -7.2 -7.0 29.9 59 61 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.2 0.162 115.5 98.5 107.8 -21.9 -7.3 -10.5 28.5 60 62 A Y S < S+ 0 0 5 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.381 75.3 71.0 -81.8 5.4 -3.6 -11.3 28.6 61 63 A D S S- 0 0 0 41,-0.0 -6,-0.5 40,-0.0 2,-0.4 -0.856 81.0-162.5-117.7 93.6 -4.3 -13.2 31.9 62 64 A I + 0 0 0 -2,-0.5 40,-2.5 38,-0.3 -9,-0.3 -0.579 26.3 176.0 -93.4 127.5 -6.3 -16.2 30.7 63 65 A S S S+ 0 0 22 -11,-2.6 43,-0.7 -2,-0.4 2,-0.2 0.541 79.9 21.4-103.2 -8.7 -8.4 -18.3 33.0 64 66 A D E > -H 52 0B 53 -12,-1.2 -12,-1.0 3,-0.2 3,-0.8 -0.770 55.4-167.0-162.6 111.5 -9.8 -20.6 30.2 65 67 A Y E 3 S+ 0 0 6 -2,-0.2 -14,-0.0 1,-0.2 -1,-0.0 0.529 90.3 52.1 -70.7 -11.1 -8.3 -21.2 26.8 66 68 A K E 3 S+ 0 0 67 2,-0.1 2,-0.3 119,-0.0 -1,-0.2 0.166 105.1 52.0-118.4 13.4 -11.4 -22.9 25.5 67 69 A N E < S- 0 0 77 -3,-0.8 -15,-2.4 -15,-0.1 2,-0.2 -0.972 76.9-113.9-145.1 156.4 -14.1 -20.4 26.3 68 70 A M E -H 51 0B 11 -17,-0.3 -17,-0.3 -2,-0.3 2,-0.3 -0.559 36.7-100.5 -83.7 151.0 -14.7 -16.7 25.7 69 71 A Y >> - 0 0 37 -19,-2.9 3,-1.8 -2,-0.2 4,-1.2 -0.592 40.7-118.1 -66.5 136.3 -14.9 -14.0 28.4 70 72 A E T 34 S+ 0 0 125 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.788 110.4 57.1 -57.6 -33.1 -18.6 -13.4 28.9 71 73 A K T 34 S+ 0 0 67 1,-0.2 -1,-0.3 -45,-0.1 -44,-0.1 0.768 105.7 51.1 -73.0 -21.7 -18.5 -9.8 27.8 72 74 A F T <4 S- 0 0 6 -3,-1.8 -45,-2.4 1,-0.3 -44,-0.4 0.852 119.5-110.6 -73.7 -32.0 -17.0 -10.7 24.5 73 75 A G < - 0 0 15 -4,-1.2 -1,-0.3 -47,-0.1 2,-0.2 -0.958 41.0 -60.0 136.0-150.9 -19.8 -13.3 23.9 74 76 A T >> - 0 0 80 -2,-0.3 4,-1.6 -3,-0.1 3,-0.8 -0.725 54.3 -90.8-120.1 172.8 -19.7 -17.2 23.8 75 77 A N H 3> S+ 0 0 23 1,-0.2 4,-3.1 -2,-0.2 5,-0.2 0.833 124.5 63.7 -52.8 -34.8 -17.8 -19.6 21.6 76 78 A E H 3> S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 103.0 48.7 -58.2 -40.5 -20.8 -19.6 19.2 77 79 A D H <> S+ 0 0 31 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.874 111.3 49.8 -65.8 -39.1 -20.1 -15.9 18.6 78 80 A M H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.912 110.1 50.0 -67.0 -44.0 -16.4 -16.7 18.0 79 81 A F H X S+ 0 0 66 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.897 110.8 50.0 -58.1 -40.0 -17.2 -19.5 15.6 80 82 A Q H X S+ 0 0 67 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.891 108.1 53.0 -66.6 -42.8 -19.5 -17.1 13.7 81 83 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.938 108.0 51.1 -56.6 -45.9 -16.8 -14.5 13.6 82 84 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.927 112.2 46.9 -53.4 -45.2 -14.4 -17.0 12.1 83 85 A D H X S+ 0 0 88 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.924 111.7 50.2 -67.0 -41.3 -17.0 -17.9 9.4 84 86 A E H X S+ 0 0 32 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.857 109.2 50.7 -66.9 -36.8 -17.7 -14.3 8.7 85 87 A V H ><>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 3,-0.9 0.950 113.3 46.7 -63.4 -46.6 -14.1 -13.5 8.2 86 88 A H H ><5S+ 0 0 67 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.867 105.0 58.1 -61.1 -42.0 -13.7 -16.4 5.8 87 89 A K H 3<5S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.699 105.9 52.8 -60.4 -27.2 -16.9 -15.6 3.8 88 90 A R T <<5S- 0 0 48 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.203 121.5-109.8 -90.3 6.8 -15.2 -12.2 3.1 89 91 A G T < 5S+ 0 0 67 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.737 79.5 123.9 69.6 28.0 -12.0 -13.9 1.9 90 92 A M < - 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