==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-07 2VI0 . COMPND 2 MOLECULE: ENDOGLUCANASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR V.A.MONEY,V.M.DUCROS,G.J.DAVIES . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 1 0 0 0 0 0 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 1 2 0 2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 8 A G 0 0 123 0, 0.0 243,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.1 17.5 14.6 -2.4 2 9 A L - 0 0 27 1,-0.1 2,-0.3 243,-0.1 243,-0.2 -0.170 360.0-133.7 -52.6 122.9 16.9 17.1 0.4 3 10 A K E -a 245 0A 67 241,-2.6 243,-2.7 26,-0.1 2,-0.5 -0.602 15.2-144.1 -79.3 138.1 20.0 17.6 2.6 4 11 A I E +a 246 0A 0 -2,-0.3 25,-2.4 241,-0.2 26,-1.4 -0.903 29.1 160.2-109.0 125.4 19.4 17.6 6.3 5 12 A G E -ab 247 30A 0 241,-2.5 243,-2.0 -2,-0.5 2,-0.3 -0.806 13.8-172.9-132.7 172.4 21.4 19.9 8.5 6 13 A A E -ab 248 31A 0 24,-1.4 26,-2.5 241,-0.3 2,-0.6 -0.948 34.7-130.9-160.1 151.7 21.4 21.5 12.0 7 14 A W E -a 249 0A 21 241,-2.1 243,-2.3 -2,-0.3 26,-0.1 -0.935 38.1-149.7 -82.6 122.4 23.0 23.9 14.4 8 15 A V - 0 0 14 -2,-0.6 3,-0.1 2,-0.5 241,-0.1 0.259 39.3 -95.8 -91.4 15.1 23.1 21.3 17.2 9 16 A G S S+ 0 0 26 1,-0.2 2,-0.3 242,-0.1 243,-0.1 0.218 103.8 41.1 93.6 -11.6 22.8 23.9 20.1 10 17 A T S S- 0 0 81 3,-0.1 -2,-0.5 240,-0.1 -1,-0.2 -0.937 109.1 -61.9-150.9 170.7 26.5 24.1 20.7 11 18 A Q - 0 0 38 -2,-0.3 2,-2.1 1,-0.1 5,-0.1 -0.335 66.5-102.4 -58.5 142.8 29.7 24.2 18.7 12 19 A P + 0 0 0 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 -0.439 53.2 167.4 -83.4 72.1 29.9 21.0 16.6 13 20 A S > - 0 0 47 -2,-2.1 4,-2.5 1,-0.1 5,-0.2 -0.344 54.8 -98.4 -63.0 161.2 32.4 18.8 18.5 14 21 A E H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 127.3 47.2 -45.4 -49.9 32.6 15.2 17.4 15 22 A S H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 109.2 52.5 -68.2 -36.3 30.4 14.3 20.4 16 23 A A H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 112.1 47.0 -66.1 -40.3 27.9 17.0 19.7 17 24 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.957 114.3 45.7 -63.9 -52.5 27.5 15.9 16.1 18 25 A K H X S+ 0 0 104 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.887 110.2 54.7 -60.9 -38.3 27.1 12.2 17.0 19 26 A S H X S+ 0 0 78 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.907 109.7 46.3 -64.7 -40.0 24.6 13.0 19.7 20 27 A F H X S+ 0 0 6 -4,-1.8 4,-3.1 2,-0.2 6,-0.2 0.876 110.8 53.1 -70.3 -37.8 22.4 14.9 17.3 21 28 A Q H X>S+ 0 0 31 -4,-2.2 4,-1.3 2,-0.2 5,-1.3 0.918 111.4 45.8 -60.9 -44.4 22.6 12.1 14.8 22 29 A E H <5S+ 0 0 153 -4,-2.6 3,-0.3 2,-0.2 -2,-0.2 0.944 113.7 51.3 -59.0 -48.9 21.6 9.6 17.4 23 30 A L H <5S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.934 116.7 36.3 -55.4 -53.8 18.8 12.0 18.5 24 31 A Q H <5S- 0 0 1 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.568 104.7-126.5 -80.7 -10.1 17.3 12.5 15.0 25 32 A G T <5S+ 0 0 62 -4,-1.3 2,-0.3 -3,-0.3 -3,-0.2 0.750 78.2 73.7 75.0 25.9 17.9 8.9 13.8 26 33 A R S - c 0 63A 50 -2,-0.3 3,-0.9 26,-0.2 0, 0.0 -0.428 34.2 -94.7-107.7-175.2 32.4 36.1 14.8 37 44 A W T 3 S+ 0 0 2 26,-1.0 43,-0.0 1,-0.2 25,-0.0 0.119 119.5 59.0 -95.6 22.8 35.0 38.4 13.2 38 45 A S T 3 S+ 0 0 85 2,-0.1 2,-0.5 42,-0.0 -1,-0.2 0.036 85.1 101.9-124.0 22.7 37.5 38.1 16.0 39 46 A T < - 0 0 20 -3,-0.9 2,-0.2 3,-0.0 -4,-0.0 -0.936 62.7-145.7-109.1 127.5 37.7 34.3 15.6 40 47 A D >> - 0 0 51 -2,-0.5 3,-1.3 1,-0.1 4,-1.0 -0.484 25.5-113.5 -85.0 155.0 40.7 32.9 13.8 41 48 A F H 3> S+ 0 0 2 1,-0.3 4,-2.9 2,-0.2 3,-0.3 0.822 113.2 69.7 -59.8 -29.5 40.5 29.7 11.6 42 49 A S H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.825 97.6 50.5 -58.9 -30.3 42.6 27.9 14.1 43 50 A W H <4 S+ 0 0 116 -3,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.845 113.9 45.7 -72.3 -34.6 39.7 28.0 16.6 44 51 A V H >X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.3 3,-1.4 0.848 93.9 81.1 -72.2 -38.8 37.4 26.6 13.9 45 52 A R H 3X S+ 0 0 95 -4,-2.9 4,-3.2 1,-0.3 5,-0.2 0.815 88.0 50.7 -44.7 -49.8 39.7 23.9 12.7 46 53 A P H 3> S+ 0 0 79 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.870 116.2 43.5 -60.8 -33.4 39.0 21.3 15.4 47 54 A Y H <> S+ 0 0 59 -3,-1.4 4,-2.3 -4,-0.4 -2,-0.2 0.911 112.5 51.7 -73.9 -45.1 35.3 21.7 14.7 48 55 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.937 108.7 52.8 -55.4 -46.2 35.8 21.7 11.0 49 56 A D H X S+ 0 0 58 -4,-3.2 4,-2.8 -5,-0.2 -1,-0.2 0.900 108.5 49.5 -58.4 -43.3 37.8 18.4 11.3 50 57 A A H X S+ 0 0 13 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.926 111.7 49.3 -60.5 -43.5 35.0 16.7 13.3 51 58 A V H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-0.3 0.925 115.0 42.1 -63.5 -47.8 32.4 17.8 10.7 52 59 A Y H ><5S+ 0 0 42 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.887 110.5 56.7 -72.0 -35.1 34.5 16.5 7.7 53 60 A N H 3<5S+ 0 0 134 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.850 105.5 53.0 -60.0 -33.2 35.5 13.3 9.6 54 61 A N T 3<5S- 0 0 40 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.542 121.0-111.6 -76.0 -11.5 31.7 12.7 10.0 55 62 A G T < 5S+ 0 0 47 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.777 74.5 129.6 82.8 28.4 31.2 13.1 6.2 56 63 A S < - 0 0 7 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.714 61.0-113.5-112.0 161.7 29.3 16.3 6.5 57 64 A I E -c 30 0A 33 -28,-2.6 -26,-2.8 -2,-0.2 2,-0.5 -0.806 29.9-133.9 -90.2 136.4 29.5 19.8 4.9 58 65 A L E -cd 31 95A 0 36,-0.6 38,-2.7 -2,-0.4 2,-0.5 -0.822 18.5-169.1 -92.5 124.8 30.4 22.6 7.2 59 66 A M E -cd 32 96A 0 -28,-2.5 -26,-2.5 -2,-0.5 2,-0.5 -0.987 7.5-165.7-111.0 122.6 28.3 25.8 7.0 60 67 A I E -cd 33 97A 0 36,-2.7 38,-3.1 -2,-0.5 2,-0.6 -0.962 13.6-153.7-112.8 124.1 29.7 28.7 8.9 61 68 A T E -cd 34 98A 0 -28,-2.7 -26,-2.5 -2,-0.5 2,-0.7 -0.888 17.7-157.0 -92.9 120.4 27.7 31.8 9.7 62 69 A W E -cd 35 99A 0 36,-1.7 38,-1.4 -2,-0.6 -26,-0.2 -0.873 7.0-162.8-114.8 101.3 30.3 34.5 10.0 63 70 A E E -c 36 0A 25 -28,-3.1 2,-2.1 -2,-0.7 -26,-1.0 -0.742 12.0-154.2-101.1 108.8 29.0 37.3 12.1 64 71 A P > + 0 0 0 0, 0.0 3,-1.0 0, 0.0 -28,-0.1 -0.380 37.5 147.6 -84.0 65.0 30.8 40.7 12.0 65 72 A W T 3 S+ 0 0 127 -2,-2.1 3,-0.1 1,-0.2 -29,-0.0 0.806 77.4 54.1 -54.4 -28.6 29.8 42.0 15.4 66 73 A E T 3 S+ 0 0 71 -3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.495 112.5 36.0 -91.3 -8.0 33.3 43.7 15.3 67 74 A Y < - 0 0 67 -3,-1.0 -1,-0.2 10,-0.0 2,-0.1 -0.956 67.7-144.7-149.5 130.2 33.0 45.5 11.9 68 75 A N > - 0 0 45 -2,-0.3 4,-2.2 -3,-0.1 5,-0.2 -0.230 40.1 -96.0 -85.1 177.3 30.1 47.3 10.2 69 76 A T H > S+ 0 0 0 40,-0.3 4,-3.0 2,-0.2 5,-0.2 0.850 122.1 54.8 -69.3 -29.6 29.6 47.3 6.4 70 77 A V H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.972 110.8 44.0 -64.9 -50.7 31.3 50.7 6.0 71 78 A D H 4>S+ 0 0 59 1,-0.2 5,-2.3 2,-0.2 6,-0.5 0.885 116.2 48.5 -65.2 -33.6 34.5 49.6 7.7 72 79 A I H ><5S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 5,-0.3 0.972 112.8 45.7 -67.2 -52.8 34.4 46.3 5.8 73 80 A K H 3<5S+ 0 0 76 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.818 110.7 55.8 -62.6 -28.9 33.9 47.8 2.3 74 81 A N T 3<5S- 0 0 95 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.512 117.9-112.8 -80.8 -8.1 36.6 50.4 3.1 75 82 A G T X 5S+ 0 0 20 -3,-1.9 3,-1.6 -4,-0.3 4,-0.3 0.534 74.7 133.2 93.4 11.8 39.1 47.6 3.9 76 83 A K T 3 > S+ 0 0 2 -6,-0.5 4,-2.5 -5,-0.3 3,-0.5 0.245 82.1 113.3-104.6 11.5 39.2 44.4 8.3 78 85 A D H <> S+ 0 0 43 -3,-1.6 4,-2.8 1,-0.3 5,-0.2 0.813 71.5 53.6 -63.7 -33.8 41.3 43.3 5.3 79 86 A A H 3> S+ 0 0 74 -4,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.922 113.2 45.3 -62.3 -42.6 44.2 41.7 7.2 80 87 A Y H <> S+ 0 0 14 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.906 114.4 47.4 -66.3 -44.8 41.7 39.6 9.1 81 88 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.929 112.1 50.4 -61.3 -46.1 39.7 38.6 6.0 82 89 A T H X S+ 0 0 46 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.926 109.6 51.0 -58.7 -45.7 43.0 37.8 4.1 83 90 A R H X S+ 0 0 114 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.906 111.4 47.6 -57.0 -48.0 44.2 35.6 7.0 84 91 A M H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.915 112.1 49.7 -60.7 -45.0 40.9 33.7 7.1 85 92 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.923 112.1 48.6 -60.5 -45.9 41.0 33.2 3.3 86 93 A Q H X S+ 0 0 109 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.898 113.7 46.4 -57.7 -45.5 44.5 31.9 3.5 87 94 A D H X S+ 0 0 39 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.895 113.0 48.1 -70.4 -38.5 43.7 29.5 6.3 88 95 A M H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.891 110.8 51.2 -71.9 -37.5 40.5 28.2 4.6 89 96 A K H < S+ 0 0 114 -4,-2.6 3,-0.2 -5,-0.2 -2,-0.2 0.957 110.3 49.5 -59.1 -50.0 42.4 27.7 1.3 90 97 A A H < S+ 0 0 82 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.857 106.3 55.8 -57.2 -38.4 45.1 25.7 3.1 91 98 A Y H < S- 0 0 32 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 0.884 91.1-166.9 -63.8 -39.3 42.4 23.6 4.8 92 99 A G < + 0 0 43 -4,-1.8 -1,-0.1 -3,-0.2 -3,-0.1 -0.010 38.3 117.1 87.6 -26.4 41.2 22.8 1.3 93 100 A K S S- 0 0 77 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 -0.330 76.4 -88.4 -83.2 159.5 37.8 21.2 2.0 94 101 A E - 0 0 85 -3,-0.1 -36,-0.6 49,-0.1 2,-0.4 -0.519 48.4-179.4 -72.4 120.7 34.5 22.7 0.8 95 102 A I E -de 58 143A 0 47,-1.5 49,-3.0 -2,-0.4 2,-0.6 -0.970 23.3-141.9-121.3 132.7 33.1 25.1 3.3 96 103 A W E -de 59 144A 0 -38,-2.7 -36,-2.7 -2,-0.4 2,-0.5 -0.879 24.7-163.2 -92.6 118.2 29.8 27.0 2.9 97 104 A L E -de 60 145A 0 47,-3.1 49,-2.5 -2,-0.6 -36,-0.2 -0.906 14.2-172.7-117.3 126.1 30.3 30.5 4.3 98 105 A R E +d 61 0A 0 -38,-3.1 -36,-1.7 -2,-0.5 3,-0.4 -0.813 14.3 178.6-122.3 80.5 27.4 32.8 5.2 99 106 A P E +d 62 0A 2 0, 0.0 -36,-0.2 0, 0.0 49,-0.2 -0.593 62.9 10.7 -81.8 149.2 28.8 36.3 6.1 100 107 A L S S- 0 0 0 -38,-1.4 3,-0.5 -2,-0.2 48,-0.2 0.896 87.1-173.4 60.9 46.5 26.6 39.2 7.0 101 108 A H + 0 0 1 -3,-0.4 9,-0.1 1,-0.2 -1,-0.1 -0.177 54.5 20.0 -79.0 164.5 23.4 37.2 7.4 102 109 A E > + 0 0 9 1,-0.1 3,-1.6 2,-0.1 6,-0.3 0.821 69.5 157.7 49.3 41.2 19.8 38.4 8.0 103 110 A A T 3 + 0 0 0 -3,-0.5 9,-2.6 45,-0.5 10,-0.7 0.561 63.4 67.9 -73.5 -9.8 20.7 41.9 6.7 104 111 A N T 3 S+ 0 0 0 7,-0.2 50,-2.5 8,-0.2 -1,-0.3 0.189 93.5 75.1 -91.6 9.5 17.0 42.7 6.0 105 112 A G S < S- 0 0 0 -3,-1.6 8,-1.4 48,-0.2 9,-0.3 -0.411 81.4-129.8 -98.4-168.9 16.3 42.6 9.7 106 113 A D S S+ 0 0 71 7,-0.2 9,-0.5 -2,-0.2 49,-0.1 0.235 85.9 80.8-125.4 12.0 17.2 45.3 12.3 107 114 A W S S+ 0 0 93 -5,-0.3 -4,-0.1 7,-0.1 -5,-0.0 0.659 76.9 69.6 -98.5 -20.7 18.9 43.2 15.0 108 115 A Y S > S- 0 0 34 -6,-0.3 3,-2.1 1,-0.1 6,-0.2 -0.840 79.5-128.8-101.6 144.0 22.5 42.8 13.7 109 116 A P T 3 S+ 0 0 26 0, 0.0 -40,-0.3 0, 0.0 9,-0.1 0.568 109.2 51.1 -71.1 -6.4 24.9 45.8 13.5 110 117 A W T 3 S+ 0 0 0 -42,-0.2 2,-0.1 -9,-0.1 -7,-0.1 0.374 89.2 110.3-101.5 -2.7 25.7 45.0 9.9 111 118 A A S X S- 0 0 0 -3,-2.1 3,-0.9 1,-0.1 8,-0.4 -0.402 73.7-128.2 -80.5 151.3 22.0 44.9 8.8 112 119 A I T 3 S+ 0 0 15 -9,-2.6 7,-0.2 1,-0.2 -8,-0.2 0.880 110.4 51.3 -64.4 -38.0 20.3 47.5 6.7 113 120 A G T 3 S+ 0 0 3 -8,-1.4 43,-0.5 -10,-0.7 -1,-0.2 0.535 79.4 126.2 -77.7 -8.5 17.5 47.9 9.2 114 121 A Y X - 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