==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-11 3RJY . COMPND 2 MOLECULE: ENDOGLUCANASE FNCEL5A; . SOURCE 2 ORGANISM_SCIENTIFIC: FERVIDOBACTERIUM NODOSUM; . AUTHOR B.ZHENG,W.YANG,X.ZHAO,Y.WANG,Z.LOU,Z.RAO,Y.FENG . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.3 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 . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 32.3 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 1 1 0 0 0 0 0 0 2 1 0 1 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 0 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 34 A M 0 0 155 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.8 -1.5 4.2 -30.4 2 35 A S > - 0 0 54 1,-0.1 4,-2.1 185,-0.0 3,-0.3 -0.297 360.0-101.8 -84.6 169.5 -1.0 7.8 -29.7 3 36 A A H > S+ 0 0 8 183,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.787 123.4 55.3 -60.0 -29.0 -2.8 10.0 -27.1 4 37 A F H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 105.6 50.1 -74.2 -37.4 -4.9 11.4 -30.0 5 38 A E H > S+ 0 0 110 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.905 111.9 48.1 -66.4 -41.7 -6.0 8.0 -31.1 6 39 A Y H X S+ 0 0 17 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.847 108.4 55.6 -66.8 -34.8 -7.0 7.2 -27.5 7 40 A N H >X S+ 0 0 4 -4,-1.7 4,-1.4 1,-0.2 3,-0.6 0.893 104.3 52.9 -62.1 -41.6 -8.8 10.5 -27.3 8 41 A K H 3< S+ 0 0 163 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 101.9 60.8 -64.0 -29.3 -10.8 9.5 -30.4 9 42 A M H 3< S+ 0 0 60 -4,-1.3 78,-0.3 1,-0.2 -1,-0.2 0.797 98.4 55.9 -64.7 -31.5 -11.7 6.4 -28.5 10 43 A I H << S+ 0 0 0 -4,-0.9 36,-0.3 -3,-0.6 37,-0.2 0.914 83.3 148.6 -64.4 -42.7 -13.4 8.6 -25.8 11 44 A G < - 0 0 12 -4,-1.4 269,-2.4 35,-0.1 2,-0.6 -0.212 65.8 -8.0 56.6-121.8 -15.4 9.9 -28.7 12 45 A H E S+a 280 0A 37 32,-0.2 34,-2.9 267,-0.2 35,-0.7 -0.958 87.3 163.0-111.9 114.1 -18.9 11.0 -27.5 13 46 A G E -ab 281 47A 1 267,-3.1 269,-2.2 -2,-0.6 2,-0.3 -0.496 27.9-133.3-122.8-173.3 -19.4 9.9 -23.9 14 47 A I E -ab 282 48A 0 33,-1.2 35,-2.4 267,-0.3 2,-0.4 -0.987 18.0-120.2-147.3 147.0 -21.5 10.4 -20.9 15 48 A N E - b 0 49A 0 267,-2.9 270,-2.6 -2,-0.3 2,-1.4 -0.757 13.2-140.3 -88.3 134.5 -21.0 11.0 -17.1 16 49 A M > - 0 0 1 33,-2.6 3,-0.5 -2,-0.4 4,-0.4 -0.683 43.7-174.1 -88.6 78.8 -22.4 8.5 -14.6 17 50 A G T 3 + 0 0 1 -2,-1.4 269,-0.2 1,-0.2 11,-0.0 -0.278 49.8 22.3 -82.8 160.1 -23.3 11.4 -12.3 18 51 A N T 3 S+ 0 0 33 1,-0.1 12,-1.6 11,-0.1 10,-0.4 0.700 105.1 86.5 59.6 29.4 -24.7 11.5 -8.8 19 52 A A S X S+ 0 0 0 -3,-0.5 3,-1.1 32,-0.1 7,-0.5 0.584 94.3 8.1-117.3 -97.0 -23.5 7.9 -8.1 20 53 A L T 3 S+ 0 0 1 -4,-0.4 33,-2.5 31,-0.3 5,-0.1 0.486 121.3 63.7 -76.3 -5.8 -20.0 7.1 -6.7 21 54 A E T 3 S+ 0 0 0 31,-0.3 -1,-0.2 30,-0.1 31,-0.1 0.420 83.9 92.7 -99.8 -2.4 -19.0 10.7 -6.1 22 55 A A S < S- 0 0 0 -3,-1.1 31,-0.3 29,-0.2 34,-0.1 -0.376 101.7 -97.9 -68.8 163.2 -21.7 11.1 -3.4 23 56 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.939 113.5 10.2 -49.9 -47.0 -20.7 10.4 0.2 24 57 A V S > S- 0 0 96 -5,-0.1 3,-1.7 33,-0.0 4,-0.3 -0.960 99.5 -93.2-128.8 148.0 -22.2 6.9 -0.3 25 58 A E T 3 S+ 0 0 33 -2,-0.3 -5,-0.2 1,-0.2 6,-0.1 -0.437 112.1 17.8 -60.0 121.4 -23.4 5.3 -3.6 26 59 A G T > S+ 0 0 33 4,-0.8 3,-0.9 -7,-0.5 -1,-0.2 0.169 93.4 103.6 103.7 -16.0 -27.1 6.0 -4.1 27 60 A S T < S+ 0 0 72 -3,-1.7 -2,-0.1 -8,-0.3 -8,-0.1 0.608 84.3 46.8 -78.3 -10.3 -27.4 8.8 -1.6 28 61 A W T 3 S- 0 0 108 -10,-0.4 -1,-0.2 -4,-0.3 -9,-0.1 0.327 131.8 -89.1-108.0 3.8 -27.5 11.4 -4.4 29 62 A G S < S+ 0 0 44 -3,-0.9 2,-0.5 1,-0.1 -10,-0.1 0.181 96.9 90.2 119.6 -14.8 -30.1 9.4 -6.4 30 63 A V - 0 0 0 -12,-1.6 -4,-0.8 -11,-0.1 2,-0.5 -0.961 40.8-178.3-124.5 124.0 -28.2 7.0 -8.6 31 64 A Y - 0 0 101 -2,-0.5 2,-1.0 -5,-0.2 -12,-0.1 -0.972 39.5-117.8-108.8 129.6 -27.0 3.5 -7.9 32 65 A I - 0 0 1 -2,-0.5 2,-0.2 -16,-0.1 -2,-0.0 -0.603 31.3-163.2 -76.7 103.9 -25.1 2.2 -10.9 33 66 A E > - 0 0 92 -2,-1.0 3,-1.2 1,-0.1 4,-0.4 -0.629 26.7-120.8 -79.6 147.4 -27.0 -0.9 -12.2 34 67 A D T >> S+ 0 0 71 1,-0.2 3,-1.0 -2,-0.2 4,-0.6 0.824 109.8 59.1 -56.8 -38.3 -25.1 -3.2 -14.5 35 68 A E H 3> S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.708 84.3 78.8 -69.3 -23.8 -27.6 -2.7 -17.4 36 69 A Y H <> S+ 0 0 16 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.846 94.3 50.4 -50.1 -39.2 -27.1 1.1 -17.5 37 70 A F H <> S+ 0 0 1 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.2 0.799 110.5 47.5 -71.2 -35.0 -23.8 0.4 -19.4 38 71 A K H X S+ 0 0 125 -4,-0.6 4,-2.7 -3,-0.4 -2,-0.2 0.905 113.7 48.9 -67.7 -42.8 -25.6 -1.9 -21.9 39 72 A I H X S+ 0 0 24 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.906 112.9 47.7 -61.6 -42.8 -28.2 0.9 -22.2 40 73 A I H X>S+ 0 0 0 -4,-2.4 5,-1.6 -5,-0.2 4,-0.9 0.881 113.7 46.2 -66.8 -44.4 -25.5 3.5 -22.7 41 74 A K H ><5S+ 0 0 80 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.958 109.1 55.9 -61.6 -49.9 -23.6 1.5 -25.4 42 75 A E H 3<5S+ 0 0 154 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.826 103.1 54.7 -51.5 -40.9 -26.9 0.6 -27.2 43 76 A R H 3<5S- 0 0 46 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.774 125.8 -99.3 -68.8 -27.1 -27.8 4.3 -27.7 44 77 A G T <<5 + 0 0 14 -3,-1.1 -32,-0.2 -4,-0.9 -3,-0.2 0.430 69.9 145.4 125.7 2.3 -24.4 5.0 -29.3 45 78 A F < - 0 0 2 -5,-1.6 -1,-0.3 1,-0.1 -32,-0.2 -0.386 34.5-157.2 -67.0 146.5 -22.1 6.5 -26.6 46 79 A D + 0 0 55 -34,-2.9 41,-2.2 -36,-0.3 2,-0.3 0.731 68.5 16.1 -93.9 -28.1 -18.4 5.4 -26.9 47 80 A S E -bc 13 87A 0 -35,-0.7 -33,-1.2 39,-0.3 2,-0.4 -0.911 56.7-143.8-145.9 163.3 -17.4 6.0 -23.4 48 81 A V E -bc 14 88A 0 39,-2.1 41,-2.4 -2,-0.3 2,-0.5 -0.999 12.3-149.6-134.1 131.0 -18.5 6.6 -19.8 49 82 A R E -bc 15 89A 0 -35,-2.4 -33,-2.6 -2,-0.4 41,-0.2 -0.887 13.2-158.8 -99.3 130.2 -16.8 8.9 -17.2 50 83 A I E - c 0 90A 2 39,-3.6 41,-1.5 -2,-0.5 2,-0.1 -0.843 3.9-152.5-118.2 94.8 -17.2 7.7 -13.6 51 84 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -31,-0.3 -0.447 18.6-172.3 -60.3 132.2 -16.8 10.3 -10.9 52 85 A I - 0 0 0 -2,-0.1 41,-2.8 -31,-0.1 2,-1.4 -0.994 24.9-151.3-134.6 123.5 -15.5 8.6 -7.7 53 86 A R > + 0 0 15 -33,-2.5 3,-1.6 -2,-0.4 4,-0.1 -0.646 28.0 165.7 -88.6 76.3 -15.2 10.2 -4.2 54 87 A W G > + 0 0 0 -2,-1.4 3,-2.6 1,-0.3 -1,-0.2 0.847 66.6 71.2 -59.0 -34.6 -12.3 7.9 -3.1 55 88 A S G 3 S+ 0 0 19 1,-0.3 3,-0.4 38,-0.2 -1,-0.3 0.629 93.1 54.6 -62.2 -15.6 -11.6 10.3 -0.2 56 89 A A G < S+ 0 0 50 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.366 107.3 53.2 -96.6 5.3 -14.9 9.2 1.6 57 90 A H S < S+ 0 0 33 -3,-2.6 10,-3.3 -4,-0.1 2,-0.3 0.016 93.4 82.2-128.8 28.6 -13.7 5.5 1.4 58 91 A I B S-J 66 0B 32 -3,-0.4 8,-0.2 8,-0.3 7,-0.1 -0.905 86.0 -89.1-127.2 155.4 -10.3 5.6 3.0 59 92 A S - 0 0 37 6,-1.7 -2,-0.1 -2,-0.3 7,-0.0 -0.386 31.1-128.9 -59.5 139.6 -9.0 5.6 6.6 60 93 A E S S+ 0 0 170 4,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.880 91.5 58.7 -49.1 -44.7 -8.6 9.0 8.1 61 94 A K S > S- 0 0 120 1,-0.1 3,-1.9 4,-0.1 4,-0.4 -0.517 98.4 -43.7 -95.9 160.1 -5.1 8.1 9.1 62 95 A Y T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.271 120.1 31.5 -53.2 140.2 -2.0 7.1 7.1 63 96 A P T 3 S- 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.761 89.7-140.7 -93.0 39.1 -1.7 5.1 4.8 64 97 A Y < - 0 0 38 -3,-1.9 -2,-0.2 1,-0.2 2,-0.1 0.879 26.0-159.9 51.2 49.1 -5.2 6.2 3.9 65 98 A E - 0 0 132 -4,-0.4 -6,-1.7 -7,-0.1 2,-0.4 -0.421 13.9-122.0 -68.6 133.4 -6.2 2.6 2.9 66 99 A I B -J 58 0B 6 -8,-0.2 -8,-0.3 -2,-0.1 -1,-0.1 -0.623 35.2 -99.1 -76.2 125.5 -9.2 2.3 0.6 67 100 A D > - 0 0 76 -10,-3.3 4,-2.4 -2,-0.4 5,-0.2 -0.206 28.0-136.6 -40.7 123.3 -12.0 0.2 2.0 68 101 A K H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.839 102.8 51.4 -55.6 -38.5 -11.7 -3.2 0.4 69 102 A F H > S+ 0 0 161 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 110.0 48.0 -70.6 -38.8 -15.5 -3.4 -0.2 70 103 A F H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.929 110.9 51.7 -64.9 -44.7 -15.6 -0.0 -1.9 71 104 A L H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.897 109.9 48.3 -59.4 -42.9 -12.6 -1.0 -4.1 72 105 A D H X S+ 0 0 61 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.842 108.9 54.7 -69.1 -34.5 -14.3 -4.3 -5.2 73 106 A R H X S+ 0 0 41 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.940 110.1 45.7 -56.8 -51.7 -17.5 -2.4 -6.0 74 107 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.922 111.5 53.1 -60.0 -45.6 -15.6 0.0 -8.3 75 108 A K H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.890 110.2 48.2 -52.4 -44.5 -13.8 -3.0 -9.9 76 109 A H H X S+ 0 0 71 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.943 111.3 48.9 -65.1 -49.1 -17.2 -4.6 -10.6 77 110 A V H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.902 114.1 46.4 -53.1 -47.8 -18.6 -1.4 -12.1 78 111 A V H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.930 110.0 54.8 -61.2 -46.3 -15.5 -1.0 -14.3 79 112 A D H X S+ 0 0 70 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.921 111.9 42.4 -52.6 -52.8 -15.7 -4.7 -15.3 80 113 A V H X S+ 0 0 8 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.886 112.7 52.9 -64.1 -46.1 -19.3 -4.4 -16.5 81 114 A A H ><>S+ 0 0 0 -4,-2.3 5,-1.2 -5,-0.2 3,-1.0 0.952 112.7 44.9 -53.6 -50.5 -18.7 -1.1 -18.3 82 115 A L H ><5S+ 0 0 30 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.819 106.6 59.2 -63.3 -36.4 -15.7 -2.6 -20.2 83 116 A K H 3<5S+ 0 0 144 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.675 99.5 59.7 -66.6 -19.8 -17.6 -5.8 -21.0 84 117 A N T <<5S- 0 0 27 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.173 121.6-110.0 -93.3 16.0 -20.2 -3.5 -22.8 85 118 A D T < 5S+ 0 0 119 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.805 71.9 139.0 60.8 35.5 -17.4 -2.3 -25.1 86 119 A L < - 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