==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUL-04 1W3K . COMPND 2 MOLECULE: ENDOGLUCANASE 5A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AGARADHAERENS; . AUTHOR T.M.GLOSTER,J.M.MACDONALD,C.A.TARLING,R.V.STICK,S.W.WITHERS, . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 2 2 0 0 0 0 1 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 2 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 4 A S > 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -43.9 73.4 43.1 7.3 2 5 A V H > + 0 0 29 88,-0.4 4,-2.7 87,-0.3 5,-0.4 0.952 360.0 36.6 -60.2 -56.2 72.8 40.9 10.4 3 6 A V H > S+ 0 0 6 87,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.864 115.9 54.1 -70.1 -33.6 69.5 39.3 9.3 4 7 A E H 4 S+ 0 0 163 86,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.919 115.4 41.5 -63.8 -41.0 70.6 39.1 5.7 5 8 A E H < S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.915 128.0 27.5 -72.1 -46.7 73.8 37.2 6.8 6 9 A H H < S+ 0 0 31 -4,-2.7 13,-2.3 -5,-0.2 -3,-0.2 0.779 86.2 166.6 -90.5 -30.8 72.3 34.9 9.4 7 10 A G < + 0 0 5 -4,-2.1 2,-0.3 -5,-0.4 -1,-0.2 -0.219 52.0 28.7 59.0-133.7 68.8 34.7 8.0 8 11 A Q S S- 0 0 63 -4,-0.1 2,-0.3 10,-0.0 120,-0.1 -0.484 74.5-150.5 -66.2 119.0 66.6 32.0 9.4 9 12 A L + 0 0 3 118,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.694 23.8 162.6 -88.1 150.3 67.4 31.2 13.0 10 13 A S E -A 17 0A 38 7,-2.2 7,-2.7 -2,-0.3 2,-0.5 -0.941 38.6-103.4-152.8 172.3 66.8 27.7 14.4 11 14 A I E +A 16 0A 28 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.917 33.5 177.0-104.2 127.0 67.8 25.4 17.2 12 15 A S E > S-A 15 0A 68 3,-2.5 3,-1.7 -2,-0.5 -2,-0.0 -0.989 73.1 -18.1-130.8 119.1 70.3 22.6 16.5 13 16 A N T 3 S- 0 0 150 -2,-0.4 205,-0.1 1,-0.3 -1,-0.1 0.891 129.1 -50.9 52.6 42.5 71.5 20.4 19.4 14 17 A G T 3 S+ 0 0 11 1,-0.2 2,-0.4 204,-0.1 207,-0.4 0.558 117.0 109.6 77.1 11.4 70.3 22.9 22.0 15 18 A E E < S-A 12 0A 50 -3,-1.7 -3,-2.5 205,-0.1 2,-0.5 -0.925 72.2-117.0-122.3 142.4 72.1 25.9 20.3 16 19 A L E +A 11 0A 4 237,-0.4 8,-1.9 -2,-0.4 2,-0.3 -0.645 45.8 173.6 -74.1 125.6 70.8 28.9 18.5 17 20 A V E -AB 10 23A 8 -7,-2.7 -7,-2.2 -2,-0.5 6,-0.2 -0.903 27.5-118.9-132.2 159.7 72.2 28.7 15.0 18 21 A N > - 0 0 4 4,-2.6 3,-2.0 -2,-0.3 -11,-0.2 -0.191 48.3 -82.4 -88.2-176.8 71.9 30.6 11.7 19 22 A E T 3 S+ 0 0 95 -13,-2.3 -12,-0.1 1,-0.3 -10,-0.1 0.582 130.3 52.9 -70.5 -9.9 70.6 29.2 8.4 20 23 A R T 3 S- 0 0 176 -14,-0.2 -1,-0.3 2,-0.1 -13,-0.1 0.231 121.6-105.6-105.2 12.5 74.0 27.8 7.6 21 24 A G S < S+ 0 0 50 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.531 74.8 138.1 81.1 9.3 74.1 25.9 10.9 22 25 A E - 0 0 112 -16,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.648 60.4-105.1 -88.3 139.5 76.7 28.2 12.6 23 26 A Q B -B 17 0A 115 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.380 40.0-169.8 -58.1 138.8 76.2 29.3 16.2 24 27 A V - 0 0 10 -8,-1.9 2,-0.5 229,-0.2 -8,-0.1 -0.993 11.9-155.0-134.3 141.8 75.0 32.8 16.5 25 28 A Q - 0 0 37 -2,-0.4 2,-0.3 229,-0.1 229,-0.1 -0.976 8.7-154.0-117.9 121.0 74.8 34.9 19.6 26 29 A L - 0 0 0 -2,-0.5 230,-2.4 227,-0.1 2,-0.3 -0.750 13.7-179.7 -91.7 139.9 72.4 37.8 19.8 27 30 A K E +c 256 0B 8 -2,-0.3 29,-2.0 228,-0.2 30,-0.6 -0.974 23.8 112.3-140.6 127.5 73.1 40.8 22.1 28 31 A G E -cd 257 57B 0 228,-1.6 230,-2.3 -2,-0.3 2,-0.3 -0.849 52.3 -68.7-166.4-161.0 70.9 43.8 22.5 29 32 A M E -cd 258 58B 0 28,-1.0 30,-2.6 228,-0.3 2,-0.4 -0.871 24.5-144.1-116.6 147.3 68.5 45.9 24.5 30 33 A S E -cd 259 59B 0 228,-3.0 231,-2.6 -2,-0.3 230,-0.6 -0.860 22.3-125.5 -97.7 141.9 65.0 45.5 25.9 31 34 A S E -c 261 0B 1 28,-2.9 231,-0.1 -2,-0.4 3,-0.1 -0.321 25.4-120.0 -63.8 163.9 62.7 48.4 26.1 32 35 A H S S- 0 0 6 229,-0.7 29,-0.4 5,-0.2 2,-0.2 -0.152 71.6 -36.3 -83.4-164.9 61.2 49.1 29.5 33 36 A G >> - 0 0 0 1,-0.2 4,-2.7 -2,-0.1 3,-1.9 -0.399 55.4-142.2 -61.9 128.6 57.4 48.9 29.6 34 37 A L H 3> S+ 0 0 10 27,-1.9 4,-0.6 1,-0.3 -1,-0.2 0.714 100.0 61.3 -64.9 -21.1 56.0 50.2 26.3 35 38 A Q H 34 S+ 0 0 45 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.599 118.4 27.2 -77.3 -13.3 53.0 51.8 28.2 36 39 A W H <4 S+ 0 0 110 -3,-1.9 -2,-0.2 2,-0.0 3,-0.1 0.698 135.4 21.5-115.3 -37.7 55.5 54.0 30.2 37 40 A Y H >< S+ 0 0 40 -4,-2.7 3,-1.5 1,-0.1 -5,-0.2 -0.116 72.6 131.2-134.6 35.4 58.6 54.5 28.1 38 41 A G G >< + 0 0 10 -4,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.685 59.5 77.5 -63.7 -21.5 57.5 53.9 24.6 39 42 A Q G 3 S+ 0 0 89 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.754 87.3 60.3 -63.9 -21.1 59.1 57.1 23.3 40 43 A F G < S+ 0 0 2 -3,-1.5 2,-0.7 221,-0.2 -1,-0.3 0.485 89.4 82.1 -82.2 -2.4 62.5 55.3 23.4 41 44 A V < + 0 0 0 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.1 -0.891 63.2 110.7-109.2 102.7 61.3 52.7 20.9 42 45 A N S > S- 0 0 22 -2,-0.7 4,-2.4 1,-0.1 5,-0.3 -0.969 77.7 -94.3-162.0 164.0 61.5 54.1 17.4 43 46 A Y H > S+ 0 0 106 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.897 120.2 50.8 -52.1 -46.6 63.5 53.6 14.2 44 47 A E H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 112.4 44.2 -67.0 -43.3 66.0 56.3 15.0 45 48 A S H > S+ 0 0 0 232,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 115.5 49.2 -64.9 -40.2 66.8 55.1 18.5 46 49 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 109.6 51.5 -68.4 -35.6 67.1 51.5 17.3 47 50 A K H X S+ 0 0 70 -4,-2.8 4,-3.0 -5,-0.3 5,-0.3 0.906 109.6 50.0 -64.8 -41.3 69.3 52.6 14.4 48 51 A W H X>S+ 0 0 74 -4,-2.1 4,-3.2 2,-0.2 5,-0.9 0.931 110.7 49.7 -63.3 -43.3 71.6 54.4 16.9 49 52 A L H X>S+ 0 0 0 -4,-2.5 6,-1.8 3,-0.2 5,-1.2 0.924 113.8 46.2 -60.6 -40.7 71.7 51.3 19.1 50 53 A R H <5S+ 0 0 65 -4,-2.4 4,-0.4 4,-0.2 -2,-0.2 0.950 122.3 34.7 -64.2 -48.6 72.6 49.2 16.0 51 54 A D H <5S+ 0 0 82 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.887 130.0 28.6 -80.0 -40.6 75.2 51.6 14.7 52 55 A D H <5S+ 0 0 27 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.823 133.2 29.5 -94.7 -36.4 76.8 52.9 17.9 53 56 A W T < S+ 0 0 24 33,-0.4 3,-1.5 4,-0.1 4,-0.1 -0.114 93.5 70.9 -98.3-162.6 49.0 44.3 33.1 66 69 A S T 3 S- 0 0 48 1,-0.3 -1,-0.1 2,-0.1 -3,-0.1 0.870 137.5 -44.0 56.6 40.3 50.3 47.4 35.0 67 70 A G T 3 S+ 0 0 34 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.539 116.8 121.6 81.6 7.6 48.5 49.7 32.4 68 71 A G S X> S- 0 0 0 -3,-1.5 4,-2.7 3,-0.1 3,-0.7 0.325 78.0 -38.9 -80.8-148.7 49.7 47.6 29.5 69 72 A Y T 34 S+ 0 0 27 -6,-2.7 -5,-0.2 1,-0.3 -4,-0.1 0.764 131.0 51.1 -55.6 -41.0 47.9 45.7 26.7 70 73 A I T 34 S+ 0 0 47 -6,-2.4 -1,-0.3 1,-0.2 -5,-0.1 0.910 118.9 38.9 -65.4 -39.2 45.0 44.3 28.7 71 74 A D T <4 S+ 0 0 108 -3,-0.7 -2,-0.2 -7,-0.7 -1,-0.2 0.826 140.4 7.7 -76.8 -37.4 44.2 47.8 30.1 72 75 A D >< - 0 0 84 -4,-2.7 3,-1.2 -8,-0.2 -1,-0.3 -0.807 64.5-168.5-151.5 97.5 45.0 49.7 26.9 73 76 A P T > + 0 0 68 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.548 68.5 94.7 -73.8 -1.7 45.7 47.6 23.8 74 77 A S T >> + 0 0 71 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.759 68.1 76.8 -60.0 -22.1 47.0 50.5 21.8 75 78 A V H X> S+ 0 0 13 -3,-1.2 4,-1.5 1,-0.3 3,-0.7 0.736 76.7 74.3 -62.3 -22.0 50.5 49.5 22.9 76 79 A K H <> S+ 0 0 50 -3,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.831 89.1 60.3 -58.8 -29.1 50.4 46.6 20.3 77 80 A E H <> S+ 0 0 99 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.2 0.821 100.5 53.4 -69.2 -30.0 50.9 49.3 17.7 78 81 A K H S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.8 0.907 110.7 49.7 -62.4 -40.6 64.0 45.9 13.1 87 90 A I H ><5S+ 0 0 31 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.940 113.1 46.0 -61.2 -45.5 63.0 44.7 9.7 88 91 A D H 3<5S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.852 116.9 44.5 -67.1 -32.4 64.2 48.0 8.1 89 92 A L H 3<5S- 0 0 1 -4,-2.4 -87,-0.3 -5,-0.2 -1,-0.2 0.454 109.5-123.3 -91.7 -3.4 67.4 47.9 10.2 90 93 A D T <<5 + 0 0 36 -4,-0.8 -87,-2.1 -3,-0.7 -88,-0.4 0.870 68.7 122.4 60.0 44.9 68.0 44.2 9.4 91 94 A I < - 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0 0 102 -3,-1.9 3,-0.7 1,-0.1 40,-0.0 -0.972 69.6-145.5-115.4 142.4 60.1 37.5 8.1 127 130 A P T 3 S+ 0 0 34 0, 0.0 -118,-0.4 0, 0.0 -1,-0.1 0.566 87.6 79.0 -80.8 -4.9 63.2 35.8 9.8 128 131 A N T 3 S+ 0 0 6 -5,-0.1 -35,-2.7 -36,-0.1 2,-0.3 0.720 71.5 98.0 -73.1 -25.5 63.6 38.7 12.2 129 132 A V E < +f 93 0B 1 -3,-0.7 2,-0.4 -6,-0.3 38,-0.4 -0.536 41.8 177.3 -84.6 135.3 60.9 37.8 14.6 130 133 A I E -f 94 0B 2 -37,-2.4 -35,-2.7 -2,-0.3 2,-0.5 -0.998 22.0-142.8-125.7 130.6 61.3 35.9 17.9 131 134 A Y E -fg 95 168B 0 36,-2.4 38,-3.0 -2,-0.4 2,-0.7 -0.846 11.9-169.4-101.7 123.7 58.2 35.4 20.0 132 135 A E E -fg 96 169B 0 -37,-3.0 -35,-2.8 -2,-0.5 3,-0.3 -0.913 7.5-174.2-112.2 101.4 58.5 35.6 23.8 133 136 A I + 0 0 0 36,-1.9 37,-0.1 -2,-0.7 2,-0.1 0.585 68.9 13.7 -84.5 -10.3 55.1 34.2 25.0 134 137 A A - 0 0 0 35,-0.4 37,-0.3 1,-0.1 -1,-0.3 -0.537 62.7-160.7-164.9 92.7 55.3 34.8 28.8 135 138 A N S S- 0 0 0 -38,-2.3 37,-0.3 -3,-0.3 -37,-0.1 0.848 77.6 -2.4 -40.1 -69.7 58.0 37.1 30.2 136 139 A E - 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