==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSYLTRANSFERASE 13-JUL-95 1BPL . COMPND 2 MOLECULE: ALPHA-1,4-GLUCAN-4-GLUCANOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR M.MACHIUS,G.WIEGAND,R.HUBER . 469 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 43 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 1 1 0 0 2 0 1 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 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 . 6 5 1 2 0 3 0 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 0 0 1 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 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 L 0 0 142 0, 0.0 2,-0.1 0, 0.0 379,-0.1 0.000 360.0 360.0 360.0 166.8 -9.6 23.8 4.5 2 4 A N - 0 0 31 377,-0.4 2,-0.4 378,-0.3 344,-0.0 -0.441 360.0-124.7 -70.9 141.9 -13.3 24.0 3.9 3 5 A G - 0 0 27 -2,-0.1 2,-0.4 32,-0.1 32,-0.1 -0.744 28.9-174.0 -89.4 140.3 -15.3 21.1 5.3 4 6 A T - 0 0 4 -2,-0.4 32,-2.9 30,-0.3 33,-1.4 -0.998 6.7-157.9-139.4 131.2 -17.6 19.3 2.8 5 7 A L E -ab 37 348A 1 342,-2.5 344,-3.1 -2,-0.4 2,-0.4 -0.747 2.9-161.1-106.6 151.7 -20.1 16.6 3.5 6 8 A M E -ab 38 349A 0 31,-1.3 33,-2.4 -2,-0.3 2,-0.9 -0.993 19.3-137.1-137.4 130.4 -21.5 14.0 1.2 7 9 A Q E -ab 39 350A 0 342,-2.7 344,-1.7 -2,-0.4 2,-0.9 -0.793 24.6-156.8 -82.5 111.8 -24.7 11.9 1.6 8 10 A Y + 0 0 6 31,-2.3 2,-0.3 -2,-0.9 -1,-0.1 -0.341 59.0 55.2 -92.6 53.2 -23.3 8.5 0.4 9 11 A F - 0 0 0 -2,-0.9 343,-0.5 31,-0.1 342,-0.4 -0.955 56.9-152.9-171.8 159.6 -26.4 6.8 -0.7 10 12 A E > - 0 0 0 -2,-0.3 3,-1.1 341,-0.2 305,-0.1 -0.939 32.0-113.5-137.4 152.5 -29.4 7.1 -3.0 11 13 A W T 3 S+ 0 0 67 -2,-0.3 -1,-0.1 1,-0.2 304,-0.0 0.915 109.3 44.3 -55.1 -50.7 -32.8 5.5 -2.7 12 14 A Y T 3 S+ 0 0 69 -3,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.063 76.5 137.5 -88.9 26.0 -32.7 3.2 -5.7 13 15 A M < - 0 0 10 -3,-1.1 2,-0.0 1,-0.1 344,-0.0 -0.330 64.4 -86.8 -68.7 152.5 -29.2 1.7 -5.3 14 16 A P - 0 0 49 0, 0.0 2,-1.7 0, 0.0 4,-0.2 -0.325 26.5-130.7 -65.8 140.9 -28.9 -2.1 -6.0 15 17 A N + 0 0 56 1,-0.2 60,-0.1 2,-0.1 35,-0.1 -0.654 67.6 122.0 -87.5 76.4 -29.5 -4.5 -3.1 16 18 A D S S- 0 0 57 -2,-1.7 -1,-0.2 58,-0.3 59,-0.1 0.207 77.9-118.4-122.2 11.4 -26.3 -6.5 -3.8 17 19 A G S S+ 0 0 2 57,-1.6 60,-0.3 -3,-0.2 4,-0.2 0.622 87.8 106.4 59.4 20.2 -24.6 -6.1 -0.4 18 20 A Q > + 0 0 74 -4,-0.2 4,-2.3 56,-0.2 5,-0.1 0.305 40.3 99.6-109.5 4.5 -21.7 -4.3 -2.0 19 21 A H H > S+ 0 0 5 55,-0.3 4,-2.5 56,-0.3 5,-0.2 0.898 82.4 50.8 -61.0 -42.2 -22.3 -0.7 -0.9 20 22 A W H > S+ 0 0 0 55,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.912 111.6 48.3 -63.3 -40.4 -19.8 -0.8 2.0 21 23 A K H > S+ 0 0 59 54,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.889 109.4 53.9 -64.6 -41.5 -17.1 -2.1 -0.3 22 24 A R H X S+ 0 0 83 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.945 110.3 46.3 -57.7 -49.4 -18.0 0.6 -2.8 23 25 A L H < S+ 0 0 0 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.914 111.3 51.6 -59.6 -45.5 -17.5 3.2 -0.1 24 26 A Q H >< S+ 0 0 59 -4,-2.5 3,-0.9 1,-0.2 4,-0.2 0.909 112.3 46.9 -58.7 -40.0 -14.2 1.7 1.0 25 27 A N H 3< S+ 0 0 128 -4,-2.6 3,-0.4 1,-0.2 4,-0.3 0.785 107.8 58.2 -72.8 -24.9 -13.1 1.8 -2.6 26 28 A D T 3X S+ 0 0 35 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.450 76.0 97.6 -86.3 0.4 -14.2 5.3 -3.0 27 29 A S H <> S+ 0 0 4 -3,-0.9 4,-2.4 -4,-0.5 -1,-0.2 0.875 81.1 49.5 -58.6 -42.1 -12.1 6.8 -0.2 28 30 A A H > S+ 0 0 45 -3,-0.4 4,-2.6 -4,-0.2 -1,-0.2 0.941 112.8 47.1 -63.0 -47.7 -9.2 8.1 -2.3 29 31 A Y H > S+ 0 0 30 -4,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.933 112.5 49.8 -57.1 -50.4 -11.6 9.8 -4.8 30 32 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-0.3 0.914 111.9 49.0 -55.3 -47.5 -13.6 11.4 -2.0 31 33 A A H ><5S+ 0 0 33 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.900 109.5 50.1 -62.3 -44.3 -10.4 12.7 -0.3 32 34 A E H 3<5S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 110.1 52.2 -69.4 -22.2 -8.9 14.2 -3.4 33 35 A H T 3<5S- 0 0 32 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.273 120.8-104.0 -96.4 12.1 -12.2 16.1 -4.1 34 36 A G T < 5 + 0 0 6 -3,-1.4 2,-0.4 1,-0.3 -30,-0.3 0.571 64.4 151.9 82.5 8.7 -12.4 17.6 -0.6 35 37 A I < + 0 0 4 -5,-2.5 -1,-0.3 -6,-0.2 -30,-0.2 -0.648 13.0 173.6 -74.9 125.9 -15.0 15.5 1.0 36 38 A T + 0 0 31 -32,-2.9 58,-2.9 -2,-0.4 2,-0.3 0.475 63.9 25.9-108.4 -10.5 -14.2 15.6 4.8 37 39 A A E -ac 5 94A 0 -33,-1.4 -31,-1.3 56,-0.3 2,-0.4 -0.986 60.9-159.6-154.1 143.6 -17.3 13.8 6.0 38 40 A V E -ac 6 95A 0 56,-2.5 58,-2.6 -2,-0.3 2,-0.6 -0.993 11.7-146.8-128.9 136.1 -19.8 11.2 4.7 39 41 A W E -ac 7 96A 2 -33,-2.4 -31,-2.3 -2,-0.4 58,-0.2 -0.937 24.2-155.7 -98.7 118.8 -23.3 10.5 6.1 40 42 A I - 0 0 0 56,-1.9 58,-0.3 -2,-0.6 3,-0.1 -0.626 20.1-102.2 -95.3 155.1 -23.9 6.8 5.6 41 43 A P - 0 0 0 0, 0.0 57,-0.3 0, 0.0 -1,-0.1 -0.207 63.4 -60.2 -70.2 165.4 -27.4 5.2 5.3 42 44 A P - 0 0 1 0, 0.0 4,-0.1 0, 0.0 57,-0.1 -0.282 51.2-165.8 -50.4 120.0 -29.0 3.3 8.2 43 45 A A + 0 0 0 55,-0.3 2,-0.2 -3,-0.1 30,-0.1 0.570 56.1 89.3 -86.3 -12.9 -26.5 0.5 9.0 44 46 A Y S S- 0 0 2 18,-0.1 18,-0.3 9,-0.1 12,-0.2 -0.542 91.9 -74.3 -89.2 157.5 -28.8 -1.6 11.2 45 47 A K B -I 58 0B 0 16,-3.3 12,-2.1 13,-0.8 13,-2.1 -0.167 48.7-164.7 -52.3 125.6 -31.3 -4.4 10.2 46 48 A G - 0 0 5 2,-0.4 -1,-0.1 10,-0.2 3,-0.1 -0.095 45.3 -76.4 -94.4-161.5 -34.5 -3.2 8.5 47 49 A T S S+ 0 0 36 1,-0.1 2,-0.3 10,-0.1 -2,-0.1 0.514 114.7 0.6 -80.0 -5.4 -37.7 -5.1 7.9 48 50 A S S > S- 0 0 52 1,-0.1 3,-1.0 19,-0.0 -2,-0.4 -0.940 84.9 -94.6-166.6 168.6 -36.1 -7.0 5.0 49 51 A Q T 3 S+ 0 0 59 19,-0.5 -32,-0.1 -2,-0.3 -1,-0.1 0.857 123.0 53.1 -61.7 -34.7 -32.7 -7.1 3.3 50 52 A A T 3 S+ 0 0 55 23,-0.1 -1,-0.2 24,-0.1 23,-0.1 0.512 77.5 124.0 -79.2 -11.8 -33.9 -4.6 0.7 51 53 A D < - 0 0 25 -3,-1.0 23,-0.4 1,-0.2 -5,-0.1 -0.291 64.4-137.5 -50.7 131.4 -35.1 -2.0 3.3 52 54 A V - 0 0 9 22,-0.1 -1,-0.2 1,-0.1 23,-0.1 0.768 57.0 -93.5 -64.7 -22.3 -33.3 1.3 2.6 53 55 A G S S+ 0 0 3 -12,-0.1 3,-0.3 -10,-0.1 -9,-0.1 0.300 107.1 97.4 128.8 -6.7 -32.9 1.5 6.3 54 56 A Y + 0 0 27 1,-0.2 -3,-0.0 2,-0.1 -8,-0.0 0.486 66.7 76.8 -91.7 0.3 -35.8 3.4 7.5 55 57 A G S S- 0 0 1 -7,-0.1 50,-0.3 50,-0.0 -1,-0.2 0.889 80.8-167.1 -71.5 -37.8 -37.9 0.4 8.4 56 58 A A + 0 0 2 -3,-0.3 49,-2.3 -12,-0.2 -10,-0.2 0.959 25.7 156.0 46.3 86.3 -35.7 0.1 11.5 57 59 A Y + 0 0 2 -12,-2.1 2,-0.5 47,-0.2 -11,-0.2 0.855 68.3 17.8 -98.1 -57.1 -36.2 -3.3 13.1 58 60 A D B > -I 45 0B 1 -13,-2.1 3,-1.4 3,-0.2 -13,-0.8 -0.872 52.6-173.2-131.0 108.9 -33.0 -3.9 15.1 59 61 A L T 3 S+ 0 0 11 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.630 89.6 52.1 -67.1 -22.0 -30.6 -1.2 16.0 60 62 A Y T 3 S+ 0 0 10 1,-0.1 2,-0.8 -15,-0.1 -1,-0.3 0.346 91.6 82.6 -97.6 5.0 -28.0 -3.6 17.4 61 63 A D < + 0 0 0 -3,-1.4 -16,-3.3 -16,-0.1 2,-0.4 -0.841 51.2 174.0-111.8 91.2 -28.0 -5.7 14.3 62 64 A L S S- 0 0 0 -2,-0.8 11,-0.2 -18,-0.3 19,-0.2 -0.173 82.3 -59.1 -88.9 43.4 -25.6 -3.9 11.9 63 65 A G S S+ 0 0 2 -2,-0.4 15,-1.5 9,-0.2 16,-0.3 0.894 116.6 110.1 78.4 49.2 -25.8 -6.8 9.4 64 66 A E + 0 0 63 1,-0.2 2,-0.3 13,-0.2 8,-0.1 0.681 61.6 47.9-124.5 -35.0 -24.5 -9.3 11.9 65 67 A F S S- 0 0 27 6,-0.3 2,-1.1 5,-0.1 -1,-0.2 -0.776 88.2-101.4-112.1 158.8 -27.2 -11.7 13.0 66 68 A H + 0 0 121 77,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.696 66.1 136.9 -83.2 100.7 -29.6 -13.7 10.9 67 69 A Q B > +J 70 0C 6 3,-2.2 3,-1.5 -2,-1.1 -9,-0.0 -0.965 58.9 21.7-142.3 152.7 -32.8 -11.7 11.2 68 70 A K T 3 S- 0 0 66 -2,-0.3 -19,-0.5 1,-0.3 -1,-0.1 0.807 132.2 -63.6 57.1 29.7 -35.4 -10.7 8.6 69 71 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -21,-0.1 -1,-0.3 0.650 120.6 70.6 71.8 23.0 -34.1 -13.6 6.5 70 72 A T B < -J 67 0C 10 -3,-1.5 -3,-2.2 1,-0.1 -1,-0.2 -0.984 61.4-148.6-162.1 153.3 -30.6 -12.2 6.0 71 73 A V S S+ 0 0 63 -2,-0.3 -6,-0.3 -5,-0.2 -1,-0.1 0.856 87.0 54.6 -89.3 -55.0 -27.4 -11.6 7.9 72 74 A R S S- 0 0 49 -8,-0.1 5,-0.2 -9,-0.1 -9,-0.2 -0.312 83.3-125.7 -75.3 160.0 -26.2 -8.6 6.0 73 75 A T - 0 0 6 3,-2.5 -24,-0.1 -11,-0.2 3,-0.1 -0.145 47.5 -81.0 -87.0-170.5 -28.3 -5.4 5.5 74 76 A K S S+ 0 0 15 -23,-0.4 -57,-1.6 -26,-0.2 -55,-0.3 0.879 133.0 45.0 -59.9 -36.8 -28.9 -4.1 2.0 75 77 A Y S S- 0 0 2 1,-0.2 -55,-2.1 -58,-0.2 -54,-0.3 0.680 120.8 -87.4 -82.7 -26.3 -25.5 -2.4 2.1 76 78 A G - 0 0 0 -57,-0.2 -3,-2.5 -58,-0.1 -1,-0.2 -0.960 54.1 -44.3 148.5-163.8 -23.4 -5.2 3.5 77 79 A T > - 0 0 42 -2,-0.3 4,-2.1 -60,-0.3 -14,-0.2 -0.535 52.1-104.4 -99.4 169.4 -22.2 -6.8 6.7 78 80 A K H > S+ 0 0 21 -15,-1.5 4,-2.6 1,-0.2 5,-0.1 0.875 120.3 55.0 -59.9 -37.5 -20.9 -5.2 9.9 79 81 A G H > S+ 0 0 37 -16,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.915 107.6 47.4 -62.7 -44.8 -17.3 -6.2 9.0 80 82 A E H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 111.5 52.2 -63.3 -40.0 -17.5 -4.5 5.6 81 83 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.946 110.2 48.4 -60.9 -46.7 -18.9 -1.4 7.2 82 84 A Q H X S+ 0 0 77 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.893 111.5 48.8 -62.5 -40.7 -16.0 -1.4 9.7 83 85 A S H X S+ 0 0 57 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.862 111.3 51.0 -64.7 -39.6 -13.4 -1.8 6.9 84 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.952 110.1 48.6 -62.8 -48.0 -15.0 1.0 5.0 85 87 A I H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.838 108.3 54.8 -62.2 -35.5 -14.9 3.3 8.0 86 88 A K H X S+ 0 0 159 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.902 107.4 49.7 -66.1 -41.1 -11.3 2.5 8.7 87 89 A S H X S+ 0 0 26 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.936 111.8 49.0 -60.9 -46.9 -10.4 3.5 5.1 88 90 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-1.1 0.946 111.2 49.5 -58.6 -46.5 -12.3 6.7 5.5 89 91 A H H ><5S+ 0 0 45 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.893 103.4 59.3 -61.9 -38.1 -10.5 7.4 8.8 90 92 A S H 3<5S+ 0 0 91 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.725 110.0 45.1 -63.4 -21.2 -7.1 6.7 7.4 91 93 A R T <<5S- 0 0 115 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.265 120.4-109.2-105.0 11.6 -7.8 9.6 5.0 92 94 A D T < 5S+ 0 0 144 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.725 70.3 142.6 69.0 24.1 -9.2 11.9 7.6 93 95 A I < - 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