==== 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 13-AUG-13 4M8U . 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) . 21388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 64.0 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 . 33 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 22.2 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 2 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 2 A S 0 0 118 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.8 4.0 -16.8 -2.8 2 3 A E >> - 0 0 74 1,-0.2 3,-1.7 2,-0.1 4,-1.1 -0.252 360.0-127.3 -65.5 136.7 2.8 -17.6 0.8 3 4 A W H 3> S+ 0 0 55 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.769 106.3 59.5 -57.4 -31.4 -0.2 -15.7 1.7 4 5 A W H 34 S+ 0 0 23 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.757 99.9 57.0 -73.7 -24.0 1.3 -14.3 4.9 5 6 A K H <4 S+ 0 0 45 -3,-1.7 -1,-0.2 1,-0.2 357,-0.2 0.819 113.6 40.4 -70.2 -30.1 4.2 -12.7 2.9 6 7 A E H < S+ 0 0 64 -4,-1.1 -2,-0.2 357,-0.1 -1,-0.2 0.424 97.9 108.2-100.9 -1.1 1.6 -10.8 0.8 7 8 A A < - 0 0 0 -4,-0.5 2,-0.4 -3,-0.2 36,-0.1 -0.292 54.9-150.6 -79.6 159.3 -0.8 -9.9 3.6 8 9 A V - 0 0 3 34,-0.2 36,-1.8 355,-0.1 37,-1.6 -0.998 23.9-149.2-122.0 123.7 -1.7 -6.7 5.3 9 10 A V E -ab 45 365A 1 355,-2.7 357,-3.1 -2,-0.4 2,-0.5 -0.809 8.3-156.2-102.2 133.5 -2.8 -7.4 8.9 10 11 A Y E -ab 46 366A 0 35,-2.9 37,-2.2 -2,-0.4 2,-0.6 -0.952 14.5-146.5-105.2 123.5 -5.3 -5.4 10.9 11 12 A Q E -ab 47 367A 2 355,-2.9 357,-2.2 -2,-0.5 2,-0.5 -0.821 11.8-161.7 -93.7 116.9 -4.9 -5.7 14.6 12 13 A I E -a 48 0A 0 35,-2.6 37,-2.5 -2,-0.6 3,-0.1 -0.877 14.2-162.5 -92.6 134.4 -8.1 -5.5 16.6 13 14 A Y > - 0 0 4 -2,-0.5 3,-2.4 35,-0.2 4,-0.2 -0.888 22.1-162.3-109.2 91.0 -8.2 -4.7 20.4 14 15 A P G >> S+ 0 0 3 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.728 76.4 61.0 -66.3 -29.4 -11.6 -6.0 20.7 15 16 A R G 34 S+ 0 0 17 1,-0.3 11,-3.1 2,-0.1 425,-0.2 0.744 117.6 36.3 -65.1 -15.6 -12.7 -4.5 24.1 16 17 A S G <4 S+ 0 0 0 -3,-2.4 408,-2.8 9,-0.2 -1,-0.3 0.139 103.2 76.1-117.1 11.4 -12.1 -1.1 22.4 17 18 A F T <4 S- 0 0 0 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.946 105.8 -20.4 -94.4 -67.0 -13.3 -1.8 18.9 18 19 A Y < - 0 0 52 -4,-0.6 9,-2.0 9,-0.2 2,-0.9 -0.932 48.2-151.2-148.7 131.6 -17.1 -1.9 18.7 19 20 A D + 0 0 4 415,-2.3 3,-0.4 -2,-0.3 417,-0.3 -0.745 19.0 172.2 -99.8 95.0 -19.7 -2.4 21.4 20 21 A A S S+ 0 0 37 -2,-0.9 -1,-0.2 1,-0.2 6,-0.1 0.802 75.2 47.5 -75.6 -24.6 -22.8 -4.0 19.8 21 22 A N S S- 0 0 110 4,-0.3 -1,-0.2 414,-0.0 414,-0.1 0.461 104.4-117.5-105.9 0.9 -24.7 -4.7 23.0 22 23 A G S S+ 0 0 31 -3,-0.4 416,-0.3 3,-0.1 -2,-0.1 0.536 78.7 117.0 90.7 6.0 -24.4 -1.4 24.8 23 24 A D S S- 0 0 70 2,-0.3 3,-0.1 414,-0.2 -1,-0.1 0.396 87.1-110.1 -85.8 1.5 -22.4 -2.5 28.0 24 25 A G S S+ 0 0 1 1,-0.2 416,-2.1 -5,-0.1 2,-0.5 0.478 88.7 106.0 84.5 1.8 -19.5 -0.2 27.1 25 26 A F S S- 0 0 12 414,-0.2 -4,-0.3 415,-0.1 -2,-0.3 -0.968 75.0-118.3-119.5 122.3 -17.3 -3.1 26.3 26 27 A G - 0 0 0 -11,-3.1 -7,-0.3 -2,-0.5 2,-0.2 -0.256 39.7-168.5 -62.0 148.0 -16.4 -4.1 22.7 27 28 A D > - 0 0 9 -9,-2.0 4,-1.8 1,-0.1 -9,-0.2 -0.772 35.7-100.1-138.7 170.4 -17.6 -7.5 21.7 28 29 A L H > S+ 0 0 0 45,-2.5 4,-2.4 -2,-0.2 5,-0.2 0.910 120.8 51.7 -66.8 -34.5 -17.4 -10.3 19.1 29 30 A Q H > S+ 0 0 53 44,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.877 106.9 56.7 -68.1 -34.0 -20.6 -9.4 17.4 30 31 A G H > S+ 0 0 0 -12,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.912 105.8 48.6 -54.8 -48.6 -19.3 -5.9 17.3 31 32 A V H >X S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 4,-0.5 0.947 109.4 53.9 -56.1 -51.4 -16.2 -7.1 15.4 32 33 A I H >< S+ 0 0 12 -4,-2.4 3,-1.2 1,-0.3 4,-0.4 0.895 105.8 52.7 -47.5 -50.5 -18.5 -9.0 13.0 33 34 A Q H 3< S+ 0 0 114 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.722 112.3 45.4 -65.0 -17.5 -20.5 -5.9 12.3 34 35 A K H S+ 0 0 102 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.862 103.5 54.9 -62.0 -35.6 -16.9 -4.9 6.0 37 38 A Y H > S+ 0 0 25 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.930 110.7 45.2 -57.9 -47.5 -15.1 -1.7 7.1 38 39 A I H X>S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 5,-1.1 0.917 112.2 51.0 -65.2 -43.3 -11.8 -3.7 7.5 39 40 A K H <5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.895 110.0 50.2 -60.1 -42.3 -12.3 -5.4 4.1 40 41 A N H <5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.864 105.6 55.4 -67.0 -39.0 -12.9 -2.1 2.4 41 42 A L H <5S- 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.916 119.3-117.6 -54.3 -44.6 -9.7 -0.7 4.0 42 43 A G T <5 + 0 0 7 -4,-1.8 -3,-0.2 1,-0.4 -34,-0.2 0.332 63.5 141.8 126.2 -6.6 -8.0 -3.6 2.3 43 44 A A < - 0 0 1 -5,-1.1 -1,-0.4 1,-0.1 -34,-0.2 -0.422 28.2-170.4 -65.0 142.3 -6.6 -5.7 5.1 44 45 A D + 0 0 48 -36,-1.8 48,-2.0 1,-0.2 2,-0.4 0.468 67.8 52.8-116.6 2.2 -6.9 -9.4 4.4 45 46 A V E -ac 9 92A 1 -37,-1.6 -35,-2.9 46,-0.2 2,-0.4 -0.997 64.4-158.6-134.7 134.9 -5.8 -10.8 7.9 46 47 A I E -ac 10 93A 2 46,-2.6 48,-3.2 -2,-0.4 2,-0.6 -0.964 1.6-161.1-108.6 131.6 -7.2 -9.8 11.3 47 48 A W E -ac 11 94A 2 -37,-2.2 -35,-2.6 -2,-0.4 2,-0.6 -0.973 13.4-157.1-105.8 119.4 -5.2 -10.4 14.5 48 49 A L E -ac 12 95A 1 46,-2.3 48,-0.6 -2,-0.6 -35,-0.2 -0.861 13.8-129.6 -97.1 120.6 -7.5 -10.3 17.4 49 50 A S - 0 0 2 -37,-2.5 47,-0.1 -2,-0.6 11,-0.1 -0.211 59.9 -57.4 -60.5 164.4 -6.1 -9.5 20.9 50 51 A P + 0 0 4 0, 0.0 -1,-0.2 0, 0.0 47,-0.1 -0.212 53.1 168.9 -73.7 134.4 -7.1 -12.2 23.4 51 52 A V + 0 0 0 -3,-0.2 19,-2.9 45,-0.1 22,-0.2 0.261 39.4 121.3-116.2 3.6 -10.8 -12.8 24.0 52 53 A F E S-H 69 0B 3 17,-0.3 17,-0.3 8,-0.2 14,-0.2 -0.217 81.1 -71.3 -66.5 157.8 -10.5 -16.0 26.1 53 54 A D E S+H 65 0B 56 15,-2.2 11,-2.3 12,-0.9 12,-1.3 -0.336 71.6 150.4 -56.7 144.1 -11.9 -16.1 29.6 54 55 A S - 0 0 2 9,-0.3 9,-0.2 10,-0.2 7,-0.0 -0.936 57.5-124.3-173.2 141.9 -9.8 -14.0 31.9 55 56 A P - 0 0 43 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.450 53.3-123.1 -76.4 -1.4 -10.2 -11.9 35.1 56 57 A Q > + 0 0 23 6,-0.5 3,-1.2 2,-0.1 7,-0.1 0.719 65.6 142.0 71.7 22.0 -8.8 -9.0 33.0 57 58 A D T 3 S+ 0 0 52 1,-0.3 330,-0.3 5,-0.2 -1,-0.1 0.873 93.6 19.2 -59.4 -35.4 -5.9 -8.2 35.3 58 59 A D T > S- 0 0 8 107,-0.1 3,-2.0 4,-0.1 -1,-0.3 -0.317 124.8 -95.9-127.4 43.5 -3.9 -7.5 32.1 59 60 A N T < S- 0 0 12 -3,-1.2 -44,-0.1 1,-0.3 -2,-0.1 0.865 93.3 -30.7 48.9 49.9 -6.9 -7.1 29.9 60 61 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -9,-0.1 -8,-0.2 0.192 116.4 99.1 100.6 -17.5 -7.1 -10.6 28.5 61 62 A Y S < S+ 0 0 5 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.452 73.9 71.3 -84.0 11.3 -3.4 -11.5 28.6 62 63 A D S S- 0 0 0 40,-0.0 -6,-0.5 41,-0.0 2,-0.4 -0.886 81.8-162.4-120.3 88.4 -4.1 -13.3 31.9 63 64 A I + 0 0 0 -2,-0.6 40,-2.4 38,-0.3 -9,-0.3 -0.645 26.6 174.7 -87.5 128.6 -6.1 -16.3 30.6 64 65 A S S S+ 0 0 21 -11,-2.3 43,-0.7 -2,-0.4 2,-0.3 0.565 79.3 21.3-103.6 -8.6 -8.2 -18.5 32.9 65 66 A D E > -H 53 0B 51 -12,-1.3 -12,-0.9 3,-0.2 3,-0.8 -0.808 56.0-167.2-159.1 116.4 -9.7 -20.7 30.2 66 67 A Y E 3 S+ 0 0 7 -2,-0.3 -1,-0.1 1,-0.2 -14,-0.0 0.600 89.5 51.4 -76.6 -8.5 -8.2 -21.3 26.8 67 68 A K E 3 S+ 0 0 83 2,-0.1 2,-0.3 119,-0.0 -1,-0.2 0.096 105.3 52.1-118.9 15.3 -11.3 -23.0 25.4 68 69 A N E < S- 0 0 76 -3,-0.8 -15,-2.2 -15,-0.1 2,-0.2 -0.976 78.0-111.7-146.0 155.5 -14.0 -20.5 26.2 69 70 A M E -H 52 0B 12 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.3 -0.567 35.5-101.2 -78.5 150.4 -14.6 -16.7 25.7 70 71 A Y >> - 0 0 35 -19,-2.9 3,-1.8 -2,-0.2 4,-1.3 -0.578 41.7-119.0 -63.3 134.2 -14.7 -14.1 28.4 71 72 A E T 34 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.805 109.9 58.4 -55.8 -36.2 -18.4 -13.5 28.9 72 73 A K T 34 S+ 0 0 70 1,-0.2 -1,-0.3 -45,-0.1 -49,-0.1 0.784 106.0 50.4 -68.0 -23.8 -18.3 -9.8 27.8 73 74 A F T <4 S- 0 0 7 -3,-1.8 -45,-2.5 1,-0.3 -44,-0.5 0.862 118.9-108.9 -74.0 -35.3 -16.9 -10.8 24.5 74 75 A G < - 0 0 15 -4,-1.3 -1,-0.3 -47,-0.2 2,-0.2 -0.971 40.8 -60.7 140.5-157.2 -19.6 -13.4 23.8 75 76 A T >> - 0 0 74 -2,-0.3 4,-1.8 -3,-0.1 3,-0.7 -0.714 53.5 -91.8-113.3 177.3 -19.6 -17.2 23.8 76 77 A N H 3> S+ 0 0 25 1,-0.2 4,-3.2 -2,-0.2 5,-0.2 0.849 125.0 63.3 -55.5 -34.4 -17.7 -19.7 21.7 77 78 A E H 3> S+ 0 0 151 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 103.0 47.1 -58.7 -38.9 -20.7 -19.6 19.3 78 79 A D H <> S+ 0 0 33 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.887 112.0 51.6 -69.7 -37.3 -20.0 -15.9 18.6 79 80 A M H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.932 109.7 48.8 -62.5 -45.6 -16.2 -16.8 18.1 80 81 A F H X S+ 0 0 66 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.886 110.6 51.2 -62.6 -41.0 -17.1 -19.5 15.6 81 82 A Q H X S+ 0 0 67 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.918 107.7 52.7 -59.9 -45.2 -19.4 -17.2 13.8 82 83 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 108.1 50.2 -56.7 -45.1 -16.6 -14.6 13.6 83 84 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.923 112.9 47.2 -57.1 -48.5 -14.2 -17.1 12.1 84 85 A D H X S+ 0 0 96 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.904 111.7 50.0 -61.9 -39.9 -16.9 -18.0 9.5 85 86 A E H X S+ 0 0 31 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.866 109.6 51.3 -67.8 -35.3 -17.6 -14.4 8.7 86 87 A V H ><>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 3,-0.7 0.950 112.1 47.0 -62.8 -47.8 -13.9 -13.6 8.2 87 88 A H H ><5S+ 0 0 66 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.870 104.3 59.7 -64.0 -42.3 -13.7 -16.6 5.8 88 89 A K H 3<5S+ 0 0 157 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.793 105.4 50.6 -57.2 -29.2 -16.8 -15.6 3.9 89 90 A R T <<5S- 0 0 50 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.241 121.5-108.7 -89.4 10.8 -15.0 -12.3 3.1 90 91 A G T < 5S+ 0 0 64 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.769 79.9 125.5 64.4 28.9 -11.9 -14.1 1.9 91 92 A M < - 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