==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-09 2WO4 . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE, FAMILY 9; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR S.PETKUN,S.JINDOU,L.J.W.SHIMON,E.A.BAYER,R.LAMED,F.FROLOW . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 34.0 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 . 2 1.3 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 . 18 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 2 1 1 1 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 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 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 0 168 0, 0.0 2,-3.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.2 35.3 4.5 16.1 2 5 A Q - 0 0 141 4,-0.1 4,-0.1 3,-0.1 3,-0.1 0.053 360.0-114.0 38.1 -42.6 32.0 5.7 17.6 3 6 A T >> - 0 0 95 -2,-3.4 3,-1.7 1,-0.1 4,-0.9 0.167 41.0 -69.8 82.8 152.3 29.4 3.6 15.4 4 7 A P H >> S+ 0 0 74 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.788 126.5 55.9 -40.7 -52.0 26.9 5.2 12.8 5 8 A D H 34 S+ 0 0 84 1,-0.2 -2,-0.1 2,-0.2 142,-0.1 0.631 105.9 52.1 -66.3 -17.5 24.4 6.9 15.3 6 9 A A H <4 S+ 0 0 44 -3,-1.7 -1,-0.2 1,-0.1 -3,-0.1 0.705 112.4 44.3 -88.9 -25.8 27.2 9.0 17.0 7 10 A N H << S+ 0 0 67 -4,-0.9 30,-0.4 -3,-0.8 -2,-0.2 0.527 86.6 113.9 -91.7 -8.0 28.5 10.3 13.6 8 11 A A < + 0 0 7 -4,-1.0 2,-0.3 28,-0.1 139,-0.1 -0.396 46.1 179.4 -59.9 136.0 25.0 11.1 12.2 9 12 A S - 0 0 37 29,-0.3 27,-1.1 -2,-0.1 26,-1.0 -0.994 13.9-178.8-145.0 141.7 24.5 14.9 11.8 10 13 A I E -A 34 0A 5 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.898 7.9-159.8-129.4 162.0 21.8 17.1 10.7 11 14 A S E -A 33 0A 33 22,-2.1 22,-2.9 -2,-0.3 2,-0.4 -0.961 8.7-146.3-136.2 153.2 21.4 20.9 10.2 12 15 A V E -A 32 0A 4 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.967 7.0-161.4-117.2 138.8 18.3 23.0 10.0 13 16 A S E -A 31 0A 33 18,-2.5 18,-1.9 -2,-0.4 2,-0.3 -0.856 14.9-155.2-117.3 153.8 17.9 26.2 7.9 14 17 A Y E -AB 30 138A 1 124,-2.2 124,-2.4 -2,-0.3 2,-0.4 -0.985 18.5-166.0-138.6 143.4 15.2 28.7 8.5 15 18 A K E -A 29 0A 77 14,-2.3 14,-2.2 -2,-0.3 119,-0.2 -1.000 25.5-132.2-128.2 124.6 13.1 31.5 6.9 16 19 A C E -A 28 0A 8 117,-3.1 12,-0.2 -2,-0.4 2,-0.1 -0.552 29.8-140.5 -69.8 137.5 11.0 33.9 8.9 17 20 A G - 0 0 30 10,-2.1 10,-0.1 -2,-0.2 2,-0.1 -0.314 23.9 -75.4 -92.3-173.0 7.5 34.2 7.5 18 21 A V - 0 0 105 -2,-0.1 2,-0.4 8,-0.1 9,-0.2 -0.373 33.6-154.8 -80.8 152.1 5.1 37.2 7.0 19 22 A K - 0 0 127 -2,-0.1 2,-0.1 7,-0.1 7,-0.1 -0.980 12.9-174.8-122.0 143.1 3.1 38.9 9.7 20 23 A D - 0 0 106 -2,-0.4 5,-0.0 5,-0.1 -1,-0.0 -0.016 45.4 -72.1-109.3-141.7 -0.2 40.9 9.0 21 24 A G S S+ 0 0 55 1,-0.1 -2,-0.0 -2,-0.1 0, 0.0 0.527 123.2 56.6-105.8 -12.4 -2.6 43.0 11.1 22 25 A T S S- 0 0 89 97,-0.0 -1,-0.1 3,-0.0 98,-0.0 0.808 81.3-166.7 -79.8 -41.0 -4.2 40.4 13.3 23 26 A K + 0 0 88 97,-0.1 98,-2.8 1,-0.1 96,-0.1 0.611 50.6 115.2 68.5 18.2 -0.7 39.3 14.5 24 27 A N + 0 0 35 96,-0.3 93,-2.6 93,-0.1 2,-0.4 0.018 57.1 81.0-102.5 24.1 -1.9 36.1 16.1 25 28 A T E - C 0 116A 11 91,-0.2 2,-0.6 96,-0.1 91,-0.2 -0.972 60.9-155.5-135.5 122.4 0.0 33.8 13.8 26 29 A I E - C 0 115A 0 89,-3.1 89,-1.8 -2,-0.4 2,-0.4 -0.857 20.5-170.5 -91.2 124.7 3.7 32.8 13.9 27 30 A R E + C 0 114A 79 -2,-0.6 -10,-2.1 -9,-0.2 2,-0.3 -0.959 16.2 148.9-117.6 134.6 4.8 31.7 10.4 28 31 A A E -AC 16 113A 2 85,-1.9 85,-2.6 -2,-0.4 2,-0.4 -0.977 29.9-145.2-155.4 160.5 8.1 30.1 9.7 29 32 A T E -AC 15 112A 17 -14,-2.2 -14,-2.3 -2,-0.3 2,-0.3 -0.989 16.7-171.4-130.1 134.2 9.7 27.7 7.2 30 33 A I E -AC 14 111A 1 81,-1.8 81,-2.1 -2,-0.4 2,-0.3 -0.884 11.0-161.2-120.4 161.6 12.4 25.1 8.0 31 34 A N E -A 13 0A 35 -18,-1.9 -18,-2.5 -2,-0.3 2,-0.5 -0.957 11.9-150.8-141.8 125.9 14.5 22.8 5.9 32 35 A I E -A 12 0A 0 77,-0.4 76,-2.3 -2,-0.3 2,-0.4 -0.818 15.4-169.1-105.3 121.2 16.2 19.8 7.5 33 36 A K E -AD 11 107A 99 -22,-2.9 -22,-2.1 -2,-0.5 2,-0.9 -0.947 23.5-132.9-115.0 144.9 19.5 18.6 5.9 34 37 A N E +A 10 0A 0 72,-3.2 71,-2.3 -2,-0.4 -24,-0.2 -0.782 30.2 170.0 -92.8 101.0 21.6 15.4 6.4 35 38 A T + 0 0 70 -26,-1.0 -25,-0.2 -2,-0.9 -1,-0.1 0.336 50.6 78.4 -97.0 5.4 25.1 16.8 6.7 36 39 A G S S- 0 0 13 -27,-1.1 69,-0.2 2,-0.3 -28,-0.1 -0.146 87.9-103.4-101.1-159.9 26.7 13.4 7.9 37 40 A T S S+ 0 0 109 -30,-0.4 -29,-0.1 -33,-0.1 -3,-0.0 0.442 92.8 62.7-117.8 1.9 27.8 10.3 6.2 38 41 A T S S- 0 0 30 -34,-0.1 -29,-0.3 -31,-0.1 -2,-0.3 -0.929 88.6 -97.0-123.6 154.2 25.0 7.9 7.1 39 42 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 64,-0.2 -0.246 34.6-153.1 -62.1 142.4 21.2 7.9 6.3 40 43 A V E -F 102 0B 9 62,-2.4 62,-2.7 -4,-0.1 2,-0.5 -0.950 11.8-130.8-116.2 147.2 18.9 9.3 8.9 41 44 A N E > -F 101 0B 66 -2,-0.3 3,-1.9 60,-0.2 60,-0.3 -0.846 12.7-139.1 -94.3 130.4 15.3 8.2 9.4 42 45 A L G > S+ 0 0 4 58,-2.5 3,-2.1 -2,-0.5 53,-0.3 0.864 100.8 68.8 -61.4 -25.8 12.9 11.3 9.6 43 46 A S G 3 S+ 0 0 34 57,-0.5 -1,-0.3 1,-0.3 52,-0.2 0.719 96.2 52.1 -67.3 -14.7 11.1 9.4 12.3 44 47 A D G < S+ 0 0 51 -3,-1.9 104,-2.6 52,-0.1 105,-0.4 0.371 94.0 92.6 -93.6 1.7 14.1 9.8 14.6 45 48 A I E < +G 147 0C 1 -3,-2.1 50,-0.5 102,-0.2 2,-0.3 -0.813 48.1 179.5-102.9 133.0 14.3 13.6 14.1 46 49 A K E -G 146 0C 62 100,-1.8 100,-2.4 -2,-0.4 2,-0.4 -0.970 8.5-161.7-125.2 148.9 12.7 16.2 16.3 47 50 A V E -GH 145 93C 2 46,-2.3 46,-3.1 -2,-0.3 2,-0.4 -0.982 5.4-155.4-126.7 138.1 12.8 20.0 15.9 48 51 A R E -GH 144 92C 45 96,-3.0 96,-1.8 -2,-0.4 2,-0.5 -0.980 6.7-166.8-121.0 136.5 12.0 22.6 18.7 49 52 A Y E - H 0 91C 2 42,-2.0 42,-2.5 -2,-0.4 2,-0.4 -0.971 17.8-153.1-119.2 118.3 10.9 26.2 18.2 50 53 A W E + H 0 90C 17 -2,-0.5 78,-2.5 92,-0.5 2,-0.3 -0.859 26.9 143.6-104.6 131.2 11.1 28.2 21.4 51 54 A F E - H 0 89C 0 38,-2.2 37,-1.9 -2,-0.4 38,-1.8 -0.946 49.6-104.4-155.4 168.0 8.9 31.2 22.2 52 55 A T - 0 0 22 35,-0.3 70,-0.3 -2,-0.3 73,-0.1 -0.938 23.6-152.9-102.1 126.7 7.0 33.3 24.6 53 56 A S > - 0 0 2 -2,-0.6 3,-2.0 68,-0.1 -1,-0.1 0.593 22.2-140.5 -82.2 -5.7 3.2 32.7 24.2 54 57 A D T 3 S- 0 0 55 1,-0.3 3,-0.1 67,-0.1 -1,-0.1 0.868 72.9 -40.3 56.8 40.7 2.4 36.2 25.5 55 58 A G T 3 S+ 0 0 65 1,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.185 101.1 134.6 96.3 -16.7 -0.7 35.1 27.5 56 59 A N < - 0 0 6 -3,-2.0 -1,-0.3 1,-0.2 -3,-0.1 -0.502 29.9-177.7 -68.6 120.0 -2.1 32.6 24.9 57 60 A E S S+ 0 0 143 -2,-0.4 2,-0.6 1,-0.1 -1,-0.2 0.760 73.9 59.8 -89.0 -23.7 -3.1 29.5 26.6 58 61 A Q + 0 0 125 -3,-0.1 60,-0.6 -5,-0.1 2,-0.4 -0.895 60.3 165.9-106.3 123.3 -4.0 27.9 23.3 59 62 A N E -E 117 0A 14 -2,-0.6 2,-0.5 58,-0.1 58,-0.2 -0.948 16.5-163.9-133.1 112.1 -1.3 27.7 20.7 60 63 A N E -E 116 0A 83 56,-2.6 56,-2.7 -2,-0.4 2,-0.3 -0.898 5.6-149.7-108.9 130.3 -2.1 25.4 17.8 61 64 A F E +E 115 0A 34 -2,-0.5 2,-0.4 54,-0.2 54,-0.2 -0.706 17.3 175.6 -93.7 138.9 0.5 24.0 15.4 62 65 A V E -E 114 0A 56 52,-2.4 52,-2.4 -2,-0.3 2,-0.5 -0.990 21.7-146.6-141.5 133.2 -0.3 23.3 11.7 63 66 A C E -E 113 0A 15 -2,-0.4 50,-0.2 50,-0.2 3,-0.1 -0.903 11.2-170.1 -96.0 127.4 2.0 22.1 9.0 64 67 A D + 0 0 76 48,-2.1 2,-0.3 -2,-0.5 49,-0.2 0.626 63.5 5.6 -95.9 -17.9 0.9 23.6 5.6 65 68 A Y + 0 0 120 47,-0.9 2,-0.3 4,-0.1 -1,-0.3 -0.920 50.8 166.3-162.9 143.7 3.2 21.6 3.2 66 69 A A > - 0 0 6 -2,-0.3 3,-1.7 45,-0.1 4,-0.2 -0.943 37.9-129.0-156.1 142.0 5.8 18.8 3.1 67 70 A A T 3 S+ 0 0 72 41,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.811 113.4 46.6 -58.6 -34.4 7.1 17.0 0.0 68 71 A F T 3 S- 0 0 50 1,-0.2 -1,-0.3 40,-0.1 40,-0.0 0.319 132.7 -73.9 -91.4 -0.6 6.4 13.7 1.6 69 72 A G X - 0 0 20 -3,-1.7 3,-2.0 2,-0.1 -1,-0.2 0.329 28.9-116.5 115.5 132.2 2.8 14.7 2.8 70 73 A T G > S+ 0 0 65 1,-0.3 3,-1.7 -4,-0.2 -7,-0.1 0.764 111.1 70.9 -61.8 -26.4 1.6 17.1 5.6 71 74 A D G 3 S+ 0 0 113 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.624 91.1 59.5 -67.1 -11.8 -0.0 14.1 7.2 72 75 A K G < S+ 0 0 36 -3,-2.0 24,-2.0 23,-0.1 2,-0.4 0.396 90.9 81.5 -94.8 2.0 3.4 12.8 8.1 73 76 A V E < -I 95 0C 15 -3,-1.7 2,-0.4 22,-0.2 22,-0.2 -0.920 58.9-174.0-111.2 130.1 4.4 15.9 10.2 74 77 A K E -I 94 0C 113 20,-3.0 20,-2.6 -2,-0.4 2,-0.3 -0.958 2.6-173.8-122.0 151.8 3.2 16.2 13.8 75 78 A G E -I 93 0C 30 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.994 6.0-175.2-143.3 144.9 3.6 19.0 16.2 76 79 A I E -I 92 0C 78 16,-1.8 16,-2.7 -2,-0.3 2,-0.5 -0.930 16.2-144.0-130.9 153.9 2.8 19.5 19.9 77 80 A V E -I 91 0C 35 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.996 22.1-175.2-120.7 123.2 3.1 22.7 21.9 78 81 A K E -I 90 0C 95 12,-3.0 12,-2.3 -2,-0.5 2,-0.2 -0.948 22.7-122.8-123.0 141.3 4.3 22.4 25.5 79 82 A K E -I 89 0C 117 -2,-0.4 2,-0.5 10,-0.2 10,-0.3 -0.492 20.8-134.1 -71.2 149.0 4.7 24.8 28.4 80 83 A I E - 0 0 15 8,-2.5 4,-0.1 1,-0.2 -1,-0.0 -0.928 11.1-152.1-107.8 127.1 8.0 25.2 30.1 81 84 A E E S+ 0 0 158 -2,-0.5 -1,-0.2 2,-0.1 -2,-0.0 0.960 75.2 48.6 -66.5 -53.5 7.6 25.1 33.9 82 85 A N E S- 0 0 113 1,-0.1 2,-0.6 0, 0.0 -2,-0.1 -0.089 96.8 -93.0 -83.9-178.0 10.6 27.2 34.9 83 86 A S E + 0 0 112 3,-0.0 5,-0.1 2,-0.0 -1,-0.1 -0.852 42.5 172.1-105.1 120.3 11.6 30.6 33.4 84 87 A V E > -I 87 0C 23 3,-1.1 3,-2.1 -2,-0.6 75,-0.1 -0.975 43.0 -93.6-125.2 150.5 14.0 30.8 30.6 85 88 A P T 3 S- 0 0 94 0, 0.0 73,-0.1 0, 0.0 41,-0.0 -0.315 108.1 -0.1 -57.3 122.5 15.0 33.9 28.5 86 89 A G T 3 S+ 0 0 24 40,-0.1 41,-2.7 39,-0.1 2,-0.3 0.477 120.1 78.3 81.0 3.5 12.8 34.1 25.4 87 90 A A E < + I 0 84C 2 -3,-2.1 -3,-1.1 39,-0.2 -35,-0.3 -0.886 19.7 147.0-152.8 122.5 10.7 31.0 26.1 88 91 A D E S+ 0 0 46 -37,-1.9 -8,-2.5 -2,-0.3 2,-0.3 0.269 85.9 34.6-114.1 5.5 7.9 29.9 28.2 89 92 A T E -HI 51 79C 2 -38,-1.8 -38,-2.2 -10,-0.3 2,-0.3 -0.967 63.7-160.8-151.3 149.2 6.7 27.5 25.5 90 93 A Y E -HI 50 78C 38 -12,-2.3 -12,-3.0 -2,-0.3 2,-0.5 -0.992 12.2-145.2-137.5 151.8 8.1 25.2 22.8 91 94 A C E -HI 49 77C 0 -42,-2.5 -42,-2.0 -2,-0.3 2,-0.6 -0.962 17.5-158.3-108.0 120.1 6.7 23.7 19.7 92 95 A E E -HI 48 76C 22 -16,-2.7 -16,-1.8 -2,-0.5 2,-0.4 -0.940 4.4-161.1-108.0 117.4 8.1 20.2 19.0 93 96 A I E +HI 47 75C 2 -46,-3.1 -46,-2.3 -2,-0.6 2,-0.2 -0.848 17.8 165.5-101.6 132.3 7.9 19.0 15.5 94 97 A S E - 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