==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-03 1OCQ . COMPND 2 MOLECULE: ENDOGLUCANASE 5A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AGARADHAERENS; . AUTHOR A.VARROT,J.M.MACDONALD,R.V.STICK,S.G.WITHERS,G.J.DAVIES . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 72.7 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 . 21 7.0 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 0 102 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.8 74.0 43.3 7.4 2 5 A V H > + 0 0 32 88,-0.4 4,-2.7 87,-0.3 5,-0.4 0.943 360.0 38.2 -60.0 -54.6 73.4 41.0 10.5 3 6 A V H > S+ 0 0 5 87,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.876 116.0 52.9 -69.1 -34.5 70.1 39.4 9.4 4 7 A E H 4 S+ 0 0 167 86,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.934 114.7 43.0 -64.0 -41.6 71.3 39.2 5.7 5 8 A E H < S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.903 127.5 26.9 -71.2 -43.8 74.4 37.4 6.9 6 9 A H H < S+ 0 0 42 -4,-2.7 13,-2.4 -5,-0.2 -3,-0.2 0.773 87.0 169.7 -94.2 -29.0 72.9 35.0 9.4 7 10 A G < + 0 0 7 -4,-2.1 2,-0.4 -5,-0.4 -1,-0.2 -0.237 51.8 26.6 61.7-135.7 69.4 34.8 8.0 8 11 A Q S S- 0 0 65 -4,-0.1 2,-0.2 10,-0.1 120,-0.1 -0.503 74.9-149.3 -68.2 118.3 67.1 32.1 9.4 9 12 A L + 0 0 3 -2,-0.4 2,-0.3 118,-0.4 9,-0.2 -0.635 24.5 161.9 -84.0 150.1 67.9 31.2 13.0 10 13 A S E -A 17 0A 39 7,-2.1 7,-2.7 -2,-0.2 2,-0.5 -0.947 38.7-103.1-153.8 174.3 67.3 27.8 14.4 11 14 A I E +A 16 0A 28 -2,-0.3 2,-0.4 179,-0.2 5,-0.2 -0.916 33.6 176.8-106.2 126.9 68.2 25.5 17.2 12 15 A S E > S-A 15 0A 53 3,-2.5 3,-1.6 -2,-0.5 -2,-0.0 -0.989 72.4 -18.4-131.3 120.6 70.7 22.7 16.5 13 16 A N T 3 S- 0 0 156 -2,-0.4 205,-0.1 1,-0.3 -1,-0.1 0.880 129.1 -50.2 50.8 42.9 71.8 20.4 19.3 14 17 A G T 3 S+ 0 0 11 1,-0.2 2,-0.4 204,-0.1 207,-0.3 0.569 117.1 108.5 79.5 10.5 70.7 22.9 21.9 15 18 A E E < S-A 12 0A 51 -3,-1.6 -3,-2.5 205,-0.1 2,-0.4 -0.939 72.6-116.1-123.6 142.2 72.5 25.9 20.3 16 19 A L E +A 11 0A 4 237,-0.4 8,-1.8 -2,-0.4 2,-0.3 -0.635 46.1 174.8 -71.9 124.9 71.4 28.9 18.5 17 20 A V E -AB 10 23A 7 -7,-2.7 -7,-2.1 -2,-0.4 6,-0.2 -0.901 26.7-120.0-131.7 158.9 72.7 28.7 14.9 18 21 A N > - 0 0 2 4,-2.5 3,-2.3 -2,-0.3 -11,-0.2 -0.184 49.7 -80.6 -86.6-173.6 72.4 30.6 11.7 19 22 A E T 3 S+ 0 0 113 -13,-2.4 -12,-0.1 1,-0.3 -10,-0.1 0.583 131.5 53.2 -74.4 -7.9 71.1 29.3 8.3 20 23 A R T 3 S- 0 0 110 -14,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.233 120.9-107.1-101.7 7.7 74.5 27.7 7.6 21 24 A G S < S+ 0 0 48 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.529 74.6 138.2 77.9 15.4 74.4 25.8 11.0 22 25 A E - 0 0 100 1,-0.1 -4,-2.5 -16,-0.1 -1,-0.3 -0.655 60.8-102.0 -93.5 141.9 77.1 28.0 12.6 23 26 A Q B -B 17 0A 117 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.329 41.3-173.3 -59.4 139.2 76.7 29.2 16.2 24 27 A V - 0 0 9 -8,-1.8 2,-0.5 229,-0.2 -8,-0.1 -0.989 12.8-153.8-135.6 145.4 75.6 32.8 16.5 25 28 A Q - 0 0 41 -2,-0.4 2,-0.4 229,-0.1 229,-0.1 -0.980 8.0-153.9-120.1 122.3 75.4 35.0 19.6 26 29 A L - 0 0 0 -2,-0.5 230,-2.4 227,-0.1 2,-0.4 -0.768 13.2-178.9 -92.8 139.2 73.0 37.9 19.8 27 30 A K E +c 256 0B 10 -2,-0.4 29,-2.1 228,-0.2 30,-0.6 -0.983 24.4 113.2-138.8 127.8 73.7 40.8 22.1 28 31 A G E -cd 257 57B 0 228,-1.7 230,-2.2 -2,-0.4 2,-0.3 -0.847 51.7 -69.4-165.5-161.0 71.4 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 -0.878 23.9-144.7-116.3 147.6 69.1 45.9 24.6 30 33 A S E -cd 259 59B 0 228,-2.9 231,-2.5 -2,-0.3 230,-0.6 -0.862 22.1-126.2 -98.2 143.5 65.6 45.6 26.0 31 34 A S E -c 261 0B 0 28,-2.8 231,-0.1 -2,-0.4 3,-0.1 -0.309 25.4-119.1 -63.8 162.9 63.3 48.5 26.2 32 35 A H S S- 0 0 5 229,-0.7 29,-0.4 5,-0.3 2,-0.2 -0.155 71.2 -37.0 -81.3-164.6 61.7 49.2 29.6 33 36 A G >> - 0 0 0 1,-0.2 4,-2.6 -2,-0.1 3,-1.8 -0.408 55.2-141.8 -62.2 130.6 58.0 49.0 29.7 34 37 A L H 3> S+ 0 0 11 27,-1.9 4,-0.6 1,-0.3 -1,-0.2 0.705 99.9 61.2 -67.8 -19.1 56.5 50.3 26.4 35 38 A Q H 34 S+ 0 0 45 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.610 118.4 27.4 -78.9 -11.7 53.6 51.9 28.3 36 39 A W H <4 S+ 0 0 111 -3,-1.8 -2,-0.2 2,-0.0 -1,-0.1 0.712 135.2 21.6-116.0 -39.7 56.1 54.1 30.3 37 40 A Y H >< S+ 0 0 42 -4,-2.6 3,-1.5 1,-0.1 -5,-0.3 -0.113 72.8 130.3-132.0 34.7 59.2 54.6 28.1 38 41 A G G >< + 0 0 11 -4,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.674 59.1 77.8 -66.8 -15.5 58.1 54.0 24.6 39 42 A Q G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.732 87.4 60.5 -66.8 -20.6 59.6 57.2 23.3 40 43 A F G < S+ 0 0 3 -3,-1.5 2,-0.7 221,-0.2 -1,-0.3 0.459 89.7 81.6 -81.8 -2.3 63.0 55.5 23.4 41 44 A V < + 0 0 0 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.1 -0.896 63.2 109.7-111.1 103.5 61.8 52.9 20.9 42 45 A N S > S- 0 0 23 -2,-0.7 4,-2.5 235,-0.1 5,-0.3 -0.968 78.9 -92.2-163.1 164.9 62.0 54.2 17.4 43 46 A Y H > S+ 0 0 85 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.897 120.6 51.0 -54.4 -45.7 64.0 53.7 14.2 44 47 A E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 112.2 43.9 -65.3 -44.7 66.5 56.4 15.1 45 48 A S H > S+ 0 0 0 232,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 115.3 49.6 -65.8 -37.9 67.4 55.2 18.5 46 49 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.884 109.8 51.4 -67.9 -36.4 67.6 51.6 17.3 47 50 A K H X S+ 0 0 72 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.904 109.5 50.0 -65.4 -41.4 69.9 52.7 14.5 48 51 A W H X>S+ 0 0 76 -4,-2.1 4,-3.1 2,-0.2 5,-0.9 0.925 110.8 49.6 -63.0 -44.2 72.1 54.5 16.9 49 52 A L H X>S+ 0 0 0 -4,-2.5 6,-1.8 3,-0.2 5,-1.2 0.921 113.2 47.3 -59.8 -41.7 72.2 51.4 19.1 50 53 A R H <5S+ 0 0 64 -4,-2.4 4,-0.4 4,-0.2 -2,-0.2 0.949 122.2 33.3 -61.1 -50.4 73.1 49.3 16.0 51 54 A D H <5S+ 0 0 92 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.884 129.8 30.1 -81.6 -39.7 75.8 51.6 14.8 52 55 A D H <5S+ 0 0 29 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.825 133.0 28.8 -93.9 -35.7 77.4 53.0 18.0 53 56 A W T < S+ 0 0 24 33,-0.4 3,-1.5 5,-0.1 4,-0.1 -0.117 93.4 70.8 -98.7-162.0 49.5 44.4 33.2 66 69 A S T 3 S- 0 0 48 1,-0.3 -1,-0.1 2,-0.1 -3,-0.1 0.862 137.0 -43.5 56.1 41.0 50.8 47.6 35.1 67 70 A G T 3 S+ 0 0 36 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.536 116.9 121.4 83.8 3.2 49.1 49.8 32.5 68 71 A G S X> S- 0 0 0 -3,-1.5 4,-2.6 3,-0.1 3,-0.7 0.329 78.2 -39.6 -80.9-148.2 50.3 47.7 29.6 69 72 A Y T 34 S+ 0 0 28 -6,-2.7 -5,-0.2 1,-0.3 -4,-0.1 0.791 131.1 51.4 -56.7 -39.6 48.5 45.9 26.9 70 73 A I T 34 S+ 0 0 45 -6,-2.3 -1,-0.3 1,-0.2 -5,-0.1 0.916 118.6 39.4 -65.2 -40.6 45.6 44.5 28.8 71 74 A D T <4 S+ 0 0 97 -3,-0.7 -2,-0.2 -7,-0.7 -1,-0.2 0.819 139.6 7.7 -73.1 -37.9 44.8 48.0 30.2 72 75 A D >< - 0 0 87 -4,-2.6 3,-1.2 1,-0.0 -1,-0.3 -0.812 64.7-167.5-152.1 98.3 45.5 49.9 27.0 73 76 A P T > + 0 0 67 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.549 69.1 93.8 -75.4 -3.9 46.2 47.8 23.9 74 77 A S T >> + 0 0 73 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.762 68.6 76.8 -58.6 -23.3 47.5 50.7 21.8 75 78 A V H X> S+ 0 0 13 -3,-1.2 4,-1.5 1,-0.3 3,-0.8 0.752 76.2 74.9 -60.9 -22.1 51.0 49.7 23.0 76 79 A K H <> S+ 0 0 47 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.846 89.0 60.3 -58.6 -28.2 50.9 46.8 20.5 77 80 A E H <> S+ 0 0 98 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.2 0.821 99.9 53.7 -70.1 -28.2 51.5 49.4 17.8 78 81 A K H S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.8 0.903 110.6 49.6 -62.2 -41.0 64.5 46.0 13.2 87 90 A I H ><5S+ 0 0 31 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.949 113.4 46.0 -60.5 -46.0 63.5 44.8 9.7 88 91 A D H 3<5S+ 0 0 116 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.839 117.1 44.7 -67.1 -29.7 64.7 48.1 8.2 89 92 A L H 3<5S- 0 0 1 -4,-2.3 -87,-0.3 -5,-0.2 -1,-0.2 0.442 109.4-122.4 -94.3 -3.4 67.9 48.0 10.2 90 93 A D T <<5 + 0 0 36 -3,-0.8 -87,-1.9 -4,-0.8 -88,-0.4 0.879 69.1 122.6 61.2 42.7 68.6 44.3 9.5 91 94 A I < - 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