==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-11 3RJX . COMPND 2 MOLECULE: ENDOGLUCANASE FNCEL5A; . SOURCE 2 ORGANISM_SCIENTIFIC: FERVIDOBACTERIUM NODOSUM; . AUTHOR B.S.ZHENG,W.YANG,X.Y.ZHAO,Y.G.WANG,Z.Y.LOU,Z.H.RAO,Y.FENG . 313 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 1 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 . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 0 0 2 0 0 0 0 0 0 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 3 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 31 A V 0 0 162 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.3 -28.7 13.2 0.5 2 32 A D - 0 0 163 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.787 360.0-177.2 -71.9 103.5 -27.9 14.4 -3.0 3 33 A K - 0 0 119 -2,-1.0 2,-0.2 1,-0.0 5,-0.0 -0.809 33.4 -95.3-107.6 151.2 -24.6 16.2 -2.1 4 34 A S > - 0 0 69 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.483 28.3-139.0 -67.4 131.6 -22.3 18.3 -4.4 5 35 A S H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.902 101.4 54.2 -57.7 -52.6 -19.4 16.1 -5.7 6 36 A A H > S+ 0 0 6 183,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.904 109.7 50.3 -45.2 -49.4 -16.8 18.8 -5.3 7 37 A F H > S+ 0 0 69 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.850 109.1 48.9 -63.9 -40.8 -17.8 19.1 -1.7 8 38 A E H X S+ 0 0 72 -4,-1.8 4,-1.1 2,-0.2 3,-0.3 0.918 112.1 49.4 -66.5 -39.4 -17.6 15.4 -1.0 9 39 A Y H X S+ 0 0 57 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.835 107.1 56.2 -65.3 -31.8 -14.1 15.2 -2.7 10 40 A N H >X S+ 0 0 7 -4,-1.9 4,-0.7 -5,-0.2 3,-0.6 0.810 101.0 57.0 -67.7 -33.1 -13.0 18.2 -0.5 11 41 A K H >< S+ 0 0 143 -4,-1.2 3,-0.6 -3,-0.3 -1,-0.2 0.830 98.2 62.5 -65.4 -34.7 -13.9 16.3 2.6 12 42 A M H 3< S+ 0 0 52 -4,-1.1 78,-0.3 1,-0.2 -1,-0.2 0.701 93.7 61.3 -62.7 -26.0 -11.5 13.5 1.5 13 43 A I H << S+ 0 0 0 -3,-0.6 36,-0.3 -4,-0.5 37,-0.2 0.859 79.9 153.5 -65.0 -34.7 -8.6 16.0 1.7 14 44 A G << - 0 0 12 -4,-0.7 269,-2.7 -3,-0.6 2,-0.7 -0.118 65.6 -9.3 42.0-126.1 -9.5 16.3 5.4 15 45 A H E S+a 283 0A 36 32,-0.2 34,-2.8 267,-0.2 35,-0.7 -0.908 88.3 172.9-100.0 113.1 -6.5 17.2 7.5 16 46 A G E -ab 284 50A 3 267,-3.5 269,-2.1 -2,-0.7 2,-0.3 -0.519 24.0-136.0-113.8-178.7 -3.5 17.1 5.1 17 47 A I E -ab 285 51A 0 33,-1.7 35,-2.6 267,-0.3 2,-0.4 -0.998 17.2-123.1-138.2 143.0 0.2 17.9 5.1 18 48 A N E - b 0 52A 0 267,-3.4 270,-1.7 -2,-0.3 2,-1.3 -0.685 11.5-142.4 -81.5 138.5 2.5 19.5 2.5 19 49 A M > - 0 0 0 33,-2.9 3,-0.6 -2,-0.4 4,-0.4 -0.558 44.2-172.3 -91.1 68.4 5.6 17.6 1.3 20 50 A G T 3 + 0 0 0 -2,-1.3 269,-0.2 1,-0.2 33,-0.0 -0.198 44.4 17.0 -82.2 158.2 7.6 20.8 1.2 21 51 A N T 3 S+ 0 0 39 1,-0.1 12,-0.7 269,-0.0 10,-0.4 0.610 104.1 87.5 69.9 17.1 11.1 21.9 -0.0 22 52 A A S X S+ 0 0 0 -3,-0.6 3,-1.5 32,-0.1 7,-0.4 0.705 92.2 12.9-110.8 -89.8 11.4 18.8 -2.2 23 53 A L T 3 S+ 0 0 1 31,-0.4 33,-3.3 -4,-0.4 5,-0.1 0.589 122.1 62.6 -76.2 -7.1 10.2 18.5 -5.8 24 54 A E T 3 S+ 0 0 3 31,-0.4 -1,-0.3 30,-0.2 31,-0.2 0.401 84.9 94.1 -93.8 -0.7 9.6 22.3 -6.0 25 55 A A S < S- 0 0 0 -3,-1.5 31,-0.3 29,-0.2 3,-0.2 -0.450 98.1-104.5 -74.9 163.5 13.3 22.9 -5.5 26 56 A P S S+ 0 0 50 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.947 112.1 11.6 -53.4 -51.9 15.4 23.2 -8.7 27 57 A V S > S- 0 0 98 33,-0.0 3,-2.5 -5,-0.0 4,-0.3 -0.992 102.2 -99.6-124.5 130.3 16.7 19.7 -8.2 28 58 A E T 3 S+ 0 0 27 -2,-0.4 -5,-0.1 1,-0.3 -6,-0.1 -0.315 109.9 18.4 -56.4 118.9 15.0 17.5 -5.6 29 59 A G T > S+ 0 0 29 4,-0.5 3,-1.1 -7,-0.4 -1,-0.3 0.123 89.1 110.5 109.9 -16.2 17.2 17.5 -2.4 30 60 A S T < S+ 0 0 70 -3,-2.5 -2,-0.1 1,-0.3 -8,-0.1 0.700 83.1 45.9 -69.3 -15.2 19.1 20.6 -3.3 31 61 A W T 3 S- 0 0 107 -10,-0.4 -1,-0.3 2,-0.3 -9,-0.1 0.543 131.0 -86.3 -99.8 -11.7 17.2 22.4 -0.4 32 62 A G S < S+ 0 0 49 -3,-1.1 2,-0.4 1,-0.3 -2,-0.1 0.221 97.8 94.0 129.6 -10.5 17.6 19.7 2.2 33 63 A V + 0 0 2 -12,-0.7 -4,-0.5 -11,-0.1 2,-0.4 -0.941 38.9 175.2-122.4 132.4 14.7 17.4 1.6 34 64 A Y - 0 0 97 -2,-0.4 2,-0.2 -5,-0.1 -12,-0.1 -0.983 37.5-117.3-130.6 123.2 14.3 14.3 -0.5 35 65 A I - 0 0 1 -2,-0.4 2,-0.4 -16,-0.1 3,-0.0 -0.407 30.6-163.6 -64.9 121.5 11.0 12.4 -0.5 36 66 A E > - 0 0 108 -2,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.883 26.7-123.6-103.2 142.6 11.5 8.9 1.0 37 67 A D T >> S+ 0 0 71 -2,-0.4 3,-1.2 1,-0.3 4,-0.8 0.866 110.4 63.0 -52.0 -42.0 8.8 6.2 0.4 38 68 A E H 3> S+ 0 0 112 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.755 85.2 76.7 -56.4 -28.0 8.6 5.7 4.1 39 69 A Y H <> S+ 0 0 25 -3,-1.9 4,-2.9 1,-0.2 -1,-0.3 0.884 93.2 49.9 -49.8 -49.8 7.4 9.3 4.5 40 70 A F H <> S+ 0 0 0 -3,-1.2 4,-3.2 -4,-0.5 -1,-0.2 0.905 110.6 48.0 -62.3 -47.2 3.9 8.5 3.2 41 71 A K H X S+ 0 0 127 -4,-0.8 4,-3.3 2,-0.2 5,-0.2 0.952 113.7 49.3 -51.5 -51.7 3.4 5.5 5.6 42 72 A I H X S+ 0 0 26 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.902 112.2 47.3 -56.3 -46.8 4.6 7.7 8.4 43 73 A I H X>S+ 0 0 0 -4,-2.9 5,-1.5 -5,-0.2 4,-0.9 0.958 113.7 48.2 -62.5 -49.9 2.2 10.5 7.4 44 74 A K H ><5S+ 0 0 77 -4,-3.2 3,-1.1 1,-0.2 -2,-0.2 0.931 109.0 52.7 -57.2 -45.7 -0.7 8.0 7.2 45 75 A E H 3<5S+ 0 0 170 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.845 103.5 58.3 -63.8 -27.0 0.1 6.3 10.6 46 76 A R H 3<5S- 0 0 44 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.785 124.2-101.1 -75.6 -20.9 -0.0 9.7 12.3 47 77 A G T <<5 + 0 0 20 -3,-1.1 -32,-0.2 -4,-0.9 2,-0.2 0.500 68.9 146.4 118.1 10.4 -3.6 10.3 11.0 48 78 A F < - 0 0 0 -5,-1.5 -1,-0.3 1,-0.1 -32,-0.2 -0.534 35.2-156.6 -79.6 147.0 -3.3 12.6 8.1 49 79 A D + 0 0 62 -34,-2.8 41,-2.0 -36,-0.3 2,-0.3 0.745 68.4 10.5 -89.7 -26.4 -5.8 12.1 5.3 50 80 A S E -bc 16 90A 1 -35,-0.7 -33,-1.7 39,-0.3 2,-0.4 -0.954 56.4-140.2-154.3 159.2 -3.9 13.7 2.4 51 81 A V E -bc 17 91A 0 39,-2.1 41,-2.5 -2,-0.3 2,-0.5 -0.990 12.5-149.1-129.7 139.5 -0.6 15.0 1.1 52 82 A R E -bc 18 92A 1 -35,-2.6 -33,-2.9 -2,-0.4 41,-0.2 -0.933 14.4-155.8-110.3 127.6 -0.0 18.0 -1.1 53 83 A I E - c 0 93A 1 39,-3.5 41,-1.5 -2,-0.5 2,-0.2 -0.855 5.1-153.0-118.0 99.1 3.0 17.8 -3.3 54 84 A P - 0 0 0 0, 0.0 -31,-0.4 0, 0.0 2,-0.4 -0.450 21.0-176.5 -56.2 129.7 4.8 21.0 -4.7 55 85 A I - 0 0 0 -2,-0.2 41,-2.1 -31,-0.2 2,-1.5 -0.982 25.7-149.0-138.2 118.8 6.5 20.1 -8.0 56 86 A R > + 0 0 20 -33,-3.3 3,-2.2 -2,-0.4 4,-0.2 -0.478 28.0 165.9 -85.3 71.1 8.6 22.5 -10.1 57 87 A W G > + 0 0 0 -2,-1.5 3,-2.4 1,-0.3 -1,-0.2 0.861 67.9 70.4 -47.3 -39.0 7.7 21.0 -13.6 58 88 A S G 3 S+ 0 0 15 38,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.624 92.6 55.3 -63.0 -12.7 9.2 24.1 -15.2 59 89 A A G < S+ 0 0 50 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.443 107.8 51.3 -93.6 -0.4 12.8 23.1 -14.2 60 90 A H S < S+ 0 0 27 -3,-2.4 10,-2.6 -4,-0.2 2,-0.3 -0.231 89.9 97.7-131.9 41.6 12.4 19.7 -15.9 61 91 A I B S-I 69 0B 31 -3,-0.4 8,-0.2 8,-0.3 7,-0.2 -0.889 74.1 -89.4-131.7 163.9 11.2 20.5 -19.4 62 92 A S - 0 0 35 6,-2.4 -2,-0.1 -2,-0.3 7,-0.0 -0.415 25.7-131.9 -72.3 141.8 12.5 20.9 -22.9 63 93 A E S S+ 0 0 169 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 0.774 87.3 66.7 -59.7 -31.4 13.6 24.3 -24.1 64 94 A K S >> S- 0 0 160 4,-0.1 3,-1.8 1,-0.1 4,-0.5 -0.804 94.7 -54.5-113.9 146.8 11.6 23.8 -27.3 65 95 A Y T 34 S+ 0 0 148 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.128 120.8 28.2 -49.1 135.1 7.8 23.6 -28.1 66 96 A P T 34 S- 0 0 45 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.814 96.2-133.1 -94.9 34.3 5.8 21.7 -26.9 67 97 A Y T <4 - 0 0 48 -3,-1.8 -2,-0.2 1,-0.1 -4,-0.1 0.916 25.4-156.9 63.9 50.5 8.0 21.7 -23.7 68 98 A E < - 0 0 115 -4,-0.5 -6,-2.4 -7,-0.2 2,-0.3 -0.277 16.2-114.4 -64.7 145.7 8.2 17.9 -23.1 69 99 A I B -I 61 0B 15 -8,-0.2 -8,-0.3 46,-0.1 2,-0.1 -0.638 32.0-100.8 -87.2 136.3 8.9 16.8 -19.6 70 100 A D > - 0 0 79 -10,-2.6 4,-2.5 -2,-0.3 5,-0.2 -0.396 30.8-137.8 -53.0 123.2 12.1 15.0 -18.8 71 101 A K H > S+ 0 0 153 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.837 101.1 56.9 -60.6 -40.5 11.0 11.4 -18.6 72 102 A F H > S+ 0 0 159 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.940 110.3 45.7 -55.5 -47.0 13.2 10.7 -15.5 73 103 A F H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.944 113.0 47.3 -66.7 -46.2 11.4 13.5 -13.7 74 104 A L H X S+ 0 0 28 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.933 112.2 51.5 -61.1 -45.7 7.9 12.5 -14.8 75 105 A D H X S+ 0 0 69 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.861 109.2 52.4 -50.2 -40.4 8.8 8.8 -13.7 76 106 A R H X S+ 0 0 26 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.961 110.2 45.5 -65.9 -48.1 10.0 10.3 -10.4 77 107 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.932 112.5 52.5 -60.7 -42.4 6.7 12.1 -9.8 78 108 A K H X S+ 0 0 67 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.904 108.7 50.5 -60.3 -39.4 4.8 9.0 -10.9 79 109 A H H X S+ 0 0 67 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.973 110.3 48.2 -58.6 -56.5 6.7 7.0 -8.3 80 110 A V H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.814 113.0 48.2 -54.3 -41.5 6.0 9.4 -5.5 81 111 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.911 109.7 52.3 -66.3 -49.0 2.3 9.5 -6.3 82 112 A D H X S+ 0 0 74 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.956 110.5 48.9 -50.5 -50.4 2.1 5.7 -6.5 83 113 A V H X S+ 0 0 15 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.811 110.9 49.6 -64.8 -32.1 3.7 5.4 -3.1 84 114 A A H ><>S+ 0 0 0 -4,-1.3 5,-1.5 2,-0.2 3,-0.6 0.947 113.5 45.1 -72.9 -45.7 1.3 8.0 -1.5 85 115 A L H ><5S+ 0 0 34 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.756 105.0 62.9 -62.9 -30.0 -1.8 6.2 -2.9 86 116 A K H 3<5S+ 0 0 167 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.818 104.2 49.8 -65.1 -27.9 -0.4 2.9 -1.8 87 117 A N T <<5S- 0 0 30 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.128 120.8-111.6 -98.0 22.6 -0.6 4.4 1.7 88 118 A D T < 5 + 0 0 123 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.853 68.5 142.9 49.5 41.9 -4.3 5.4 1.2 89 119 A L < - 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