==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUN-10 3NCO . COMPND 2 MOLECULE: ENDOGLUCANASE FNCEL5A; . SOURCE 2 ORGANISM_SCIENTIFIC: FERVIDOBACTERIUM NODOSUM; . AUTHOR B.S.ZHENG,W.YANG,Y.WANG,Z.Y.LOU,Z.H.RAO,Y.FENG . 631 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 3 2 2 0 0 3 1 0 0 0 0 0 2 2 2 2 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 5 5 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 1 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 V 0 0 165 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.4 -8.7 29.8 0.0 2 9 A D - 0 0 164 3,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.488 360.0-175.3 -42.9 137.0 -7.4 28.7 3.3 3 10 A K - 0 0 118 -2,-0.2 2,-0.4 0, 0.0 3,-0.0 -0.951 33.2 -90.6-149.0 147.9 -4.2 26.8 2.2 4 11 A S > - 0 0 60 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.549 29.4-144.1 -70.4 127.3 -1.8 24.7 4.3 5 12 A S H > S+ 0 0 59 -2,-0.4 4,-2.6 1,-0.2 5,-0.3 0.900 97.6 53.9 -58.0 -45.9 1.1 26.9 5.5 6 13 A A H > S+ 0 0 4 183,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.882 107.5 51.4 -59.6 -38.9 3.8 24.2 5.2 7 14 A F H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 110.7 48.5 -66.8 -34.8 2.8 23.6 1.6 8 15 A E H X S+ 0 0 72 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.878 111.4 48.4 -70.6 -40.3 3.1 27.3 0.9 9 16 A Y H X S+ 0 0 49 -4,-2.6 4,-0.9 2,-0.2 3,-0.3 0.870 108.0 56.5 -65.1 -36.5 6.5 27.5 2.6 10 17 A N H >X S+ 0 0 5 -4,-2.5 3,-1.0 -5,-0.3 4,-0.9 0.928 102.6 55.0 -61.8 -37.3 7.6 24.5 0.6 11 18 A K H 3< S+ 0 0 142 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 98.8 63.2 -64.6 -28.6 6.7 26.3 -2.6 12 19 A X H 3< S+ 0 0 64 -4,-1.0 78,-0.3 -3,-0.3 -1,-0.3 0.795 93.1 61.4 -65.8 -29.0 9.1 29.1 -1.5 13 20 A I H << S+ 0 0 0 -3,-1.0 36,-0.3 -4,-0.9 -1,-0.2 0.908 80.1 150.4 -59.5 -41.6 12.0 26.6 -1.7 14 21 A G < - 0 0 14 -4,-0.9 269,-2.1 -3,-0.1 2,-0.6 -0.174 64.4 -6.9 53.1-124.5 11.1 26.5 -5.4 15 22 A H E S+a 283 0A 39 32,-0.2 34,-3.2 267,-0.2 35,-0.7 -0.944 87.5 165.0-107.9 113.0 14.2 25.7 -7.4 16 23 A G E -ab 284 50A 0 267,-3.4 269,-2.0 -2,-0.6 2,-0.3 -0.462 26.8-137.9-118.9-178.0 17.2 25.8 -5.2 17 24 A I E -ab 285 51A 0 33,-1.4 35,-2.5 267,-0.3 2,-0.4 -0.991 19.2-118.9-145.2 150.6 20.9 24.8 -5.1 18 25 A N E - b 0 52A 0 267,-2.4 270,-2.8 -2,-0.3 2,-1.1 -0.796 10.5-151.2 -90.1 134.2 23.2 23.3 -2.5 19 26 A X + 0 0 0 33,-2.9 4,-0.4 -2,-0.4 3,-0.3 -0.740 45.9 164.7-104.1 76.2 26.2 25.3 -1.4 20 27 A G + 0 0 0 -2,-1.1 269,-0.2 1,-0.2 33,-0.0 -0.421 35.3 42.3-100.4 170.8 28.2 22.2 -0.7 21 28 A N S S+ 0 0 37 -2,-0.1 12,-0.6 1,-0.1 10,-0.4 0.638 103.6 78.1 66.7 19.9 31.7 21.0 -0.1 22 29 A A S > S+ 0 0 0 -3,-0.3 3,-1.7 32,-0.2 7,-0.3 0.610 96.2 17.5-119.8 -88.9 32.2 24.0 2.2 23 30 A L T 3 S+ 0 0 1 -4,-0.4 33,-2.5 31,-0.3 5,-0.1 0.577 121.8 60.1 -74.4 -8.9 30.9 24.2 5.7 24 31 A E T 3 S+ 0 0 4 31,-0.3 -1,-0.3 30,-0.1 31,-0.1 0.370 84.7 97.4 -93.5 -1.6 30.4 20.4 5.9 25 32 A A S < S- 0 0 0 -3,-1.7 31,-0.3 29,-0.2 3,-0.2 -0.335 98.4-104.1 -66.4 163.7 34.1 19.9 5.4 26 33 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.903 113.1 10.4 -59.4 -38.9 36.1 19.4 8.6 27 34 A V S > S- 0 0 92 -5,-0.1 3,-2.8 33,-0.0 4,-0.3 -0.989 101.3-101.2-133.5 132.9 37.2 23.0 8.2 28 35 A E T 3 S+ 0 0 26 -2,-0.3 -5,-0.1 1,-0.3 6,-0.1 -0.332 110.7 24.7 -59.9 130.5 35.6 25.3 5.5 29 36 A G T > S+ 0 0 30 4,-0.8 3,-1.9 -7,-0.3 -1,-0.3 0.066 89.8 104.8 105.0 -23.0 38.0 25.4 2.6 30 37 A S T < S+ 0 0 69 -3,-2.8 -2,-0.1 1,-0.3 -8,-0.1 0.663 83.0 47.4 -72.5 -11.3 39.7 22.1 3.3 31 38 A W T 3 S- 0 0 110 -10,-0.4 -1,-0.3 2,-0.3 3,-0.1 0.252 128.9 -95.4-104.6 8.5 37.9 20.4 0.4 32 39 A G S < S+ 0 0 50 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.508 94.9 102.1 95.1 4.5 38.6 23.3 -1.9 33 40 A V + 0 0 2 -12,-0.6 -4,-0.8 -11,-0.1 2,-0.4 -0.979 38.5 173.7-123.5 134.2 35.4 25.3 -1.6 34 41 A Y - 0 0 118 -2,-0.4 2,-0.5 -6,-0.1 -12,-0.1 -0.987 36.8-114.7-139.5 127.8 35.1 28.4 0.5 35 42 A I - 0 0 1 -2,-0.4 2,-0.3 -16,-0.1 -2,-0.0 -0.481 29.0-161.4 -73.5 115.6 31.8 30.4 0.4 36 43 A E >> - 0 0 79 -2,-0.5 3,-1.4 1,-0.1 4,-0.5 -0.717 24.9-127.3 -89.8 143.5 32.3 33.9 -1.1 37 44 A D H >> S+ 0 0 75 -2,-0.3 3,-1.1 1,-0.3 4,-0.7 0.859 109.5 63.1 -58.1 -35.3 29.7 36.5 -0.3 38 45 A E H 3> S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.759 85.7 75.3 -61.8 -24.6 29.4 37.1 -4.1 39 46 A Y H <> S+ 0 0 7 -3,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.874 93.4 51.2 -56.9 -37.7 28.2 33.5 -4.6 40 47 A F H S+ 0 0 0 -4,-2.8 5,-1.7 -5,-0.2 4,-0.9 0.922 114.4 45.5 -58.1 -46.9 22.9 32.3 -7.4 44 51 A K H ><5S+ 0 0 76 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.951 110.2 54.2 -66.4 -45.2 20.0 34.8 -7.1 45 52 A E H 3<5S+ 0 0 140 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 103.2 57.0 -56.9 -36.4 20.8 36.5 -10.4 46 53 A R H 3<5S- 0 0 46 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.771 124.5-105.0 -69.5 -23.1 20.7 33.2 -12.2 47 54 A G T <<5 + 0 0 16 -3,-1.3 -3,-0.2 -4,-0.9 -32,-0.2 0.472 67.6 146.4 114.9 8.5 17.2 32.7 -10.9 48 55 A F < - 0 0 1 -5,-1.7 -1,-0.3 1,-0.1 -32,-0.2 -0.408 36.6-152.2 -65.5 150.3 17.4 30.1 -8.1 49 56 A D + 0 0 58 -34,-3.2 41,-2.3 -36,-0.3 2,-0.3 0.661 67.6 11.5 -94.6 -22.7 14.9 30.7 -5.3 50 57 A S E -bc 16 90A 1 -35,-0.7 -33,-1.4 39,-0.3 2,-0.4 -0.956 57.0-139.5-155.4 161.8 16.8 29.2 -2.4 51 58 A V E -bc 17 91A 0 39,-2.5 41,-2.5 -2,-0.3 2,-0.5 -0.998 9.9-150.1-132.3 137.9 20.1 27.8 -1.1 52 59 A R E -bc 18 92A 0 -35,-2.5 -33,-2.9 -2,-0.4 41,-0.2 -0.944 14.3-158.3-108.0 127.8 20.7 24.7 1.0 53 60 A I E - c 0 93A 0 39,-3.2 41,-1.5 -2,-0.5 2,-0.1 -0.885 5.6-149.5-116.5 101.2 23.8 25.0 3.3 54 61 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -31,-0.3 -0.454 21.2-172.4 -61.6 130.4 25.4 21.7 4.6 55 62 A I - 0 0 0 -31,-0.1 41,-2.1 -2,-0.1 2,-1.5 -0.972 25.2-152.4-137.3 123.5 27.1 22.4 8.0 56 63 A R > + 0 0 24 -33,-2.5 3,-2.1 -2,-0.4 4,-0.1 -0.549 27.5 165.5 -94.2 73.1 29.3 20.1 10.1 57 64 A W G > + 0 0 0 -2,-1.5 3,-2.0 1,-0.3 -1,-0.2 0.817 67.4 69.7 -53.5 -33.4 28.4 21.6 13.4 58 65 A S G 3 S+ 0 0 21 38,-0.3 3,-0.5 1,-0.3 -1,-0.3 0.668 90.0 61.1 -68.9 -13.1 29.9 18.6 15.1 59 66 A A G < S+ 0 0 45 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.299 106.1 48.4 -87.1 8.3 33.4 19.7 14.1 60 67 A H S < S+ 0 0 23 -3,-2.0 10,-2.8 -4,-0.1 2,-0.3 -0.200 87.7 99.5-147.1 42.0 33.1 23.0 16.0 61 68 A I B S-J 69 0B 32 -3,-0.5 8,-0.2 8,-0.3 7,-0.2 -0.931 75.0 -89.7-130.9 159.5 31.8 22.2 19.5 62 69 A S - 0 0 38 6,-2.2 -2,-0.1 -2,-0.3 -1,-0.0 -0.207 33.7-125.9 -59.0 151.8 33.2 21.8 23.0 63 70 A E S S+ 0 0 167 2,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.763 88.2 55.7 -79.4 -22.2 34.3 18.3 23.9 64 71 A K S > S- 0 0 124 1,-0.1 3,-2.3 4,-0.1 4,-0.4 -0.820 96.8 -44.6-120.1 155.2 32.2 18.3 27.0 65 72 A Y T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.174 121.2 27.2 -46.4 137.8 28.5 18.8 27.9 66 73 A P T 3 S- 0 0 52 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.859 94.2-138.5 -91.7 28.2 26.6 20.9 26.9 67 74 A Y < - 0 0 38 -3,-2.3 -2,-0.2 1,-0.2 -4,-0.0 0.918 19.0-150.5 63.8 54.2 28.8 21.0 23.8 68 75 A E - 0 0 108 -4,-0.4 -6,-2.2 -7,-0.2 2,-0.3 -0.291 15.8-119.3 -57.5 131.9 29.0 24.8 23.2 69 76 A I B -J 61 0B 13 -8,-0.2 -8,-0.3 1,-0.1 -1,-0.1 -0.559 36.4 -99.4 -70.2 133.2 29.5 25.7 19.6 70 77 A D > - 0 0 80 -10,-2.8 4,-2.3 -2,-0.3 3,-0.5 -0.319 28.9-133.9 -50.5 127.2 32.7 27.6 18.9 71 78 A K H > S+ 0 0 156 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.898 102.9 54.8 -55.6 -44.3 31.8 31.4 18.7 72 79 A F H > S+ 0 0 168 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.895 110.7 46.3 -59.3 -40.0 33.9 32.0 15.6 73 80 A F H > S+ 0 0 8 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.924 111.7 48.6 -72.7 -43.0 32.0 29.2 13.7 74 81 A L H X S+ 0 0 31 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.934 111.7 52.1 -60.0 -41.9 28.6 30.3 14.8 75 82 A D H X S+ 0 0 62 -4,-3.0 4,-2.4 -5,-0.3 -2,-0.2 0.902 108.7 51.1 -60.9 -40.2 29.5 33.8 13.7 76 83 A R H X S+ 0 0 28 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.922 110.5 46.6 -60.9 -51.1 30.6 32.5 10.4 77 84 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.914 112.4 51.4 -60.0 -42.5 27.3 30.6 9.8 78 85 A K H X S+ 0 0 66 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.897 109.9 50.3 -60.5 -42.1 25.4 33.7 10.8 79 86 A H H X S+ 0 0 71 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.951 111.3 47.5 -59.8 -44.9 27.4 35.8 8.4 80 87 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.885 113.3 47.2 -67.8 -41.3 26.7 33.3 5.6 81 88 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.928 110.3 54.7 -61.4 -42.2 22.9 33.2 6.3 82 89 A D H X S+ 0 0 76 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.916 108.9 47.0 -57.2 -48.7 22.8 37.0 6.5 83 90 A V H X S+ 0 0 15 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.887 111.6 49.8 -64.4 -40.0 24.4 37.4 3.1 84 91 A A H <>S+ 0 0 0 -4,-1.9 5,-1.7 1,-0.2 3,-0.5 0.944 112.8 46.7 -68.2 -37.8 22.1 34.8 1.5 85 92 A L H ><5S+ 0 0 30 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.845 106.4 60.0 -67.6 -32.3 19.0 36.5 3.0 86 93 A K H 3<5S+ 0 0 176 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 103.3 51.3 -62.4 -31.8 20.3 39.8 1.9 87 94 A N T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.107 121.5-108.9 -95.8 22.1 20.2 38.5 -1.7 88 95 A D T < 5S+ 0 0 117 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.822 70.2 142.4 59.4 37.3 16.6 37.4 -1.3 89 96 A L < - 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