==== 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 20-JUL-09 2WNX . 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 . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 59.9 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 34.4 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 . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.2 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 6 A T > 0 0 121 0, 0.0 4,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.4 30.4 5.9 17.8 2 7 A P H > + 0 0 108 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.886 360.0 47.3 -50.5 -42.8 28.0 5.4 14.8 3 8 A D H 4 S+ 0 0 83 1,-0.2 3,-0.3 2,-0.2 142,-0.1 0.868 108.5 55.1 -68.1 -37.7 25.4 7.6 16.6 4 9 A A H 4 S+ 0 0 60 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.871 105.9 52.2 -57.9 -39.0 28.0 10.2 17.4 5 10 A N H < S+ 0 0 121 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.743 84.2 103.1 -73.9 -30.0 28.9 10.5 13.6 6 11 A A < - 0 0 11 -4,-1.2 2,-0.3 -3,-0.3 139,-0.1 -0.277 54.2-175.7 -54.7 141.9 25.2 11.1 12.4 7 12 A S + 0 0 37 29,-0.3 26,-1.2 2,-0.0 27,-1.1 -0.998 16.6 173.9-148.2 142.5 24.7 14.8 11.6 8 13 A I E -A 32 0A 5 -2,-0.3 2,-0.3 142,-0.3 24,-0.2 -0.955 9.6-161.8-139.1 156.8 22.0 17.1 10.5 9 14 A S E -A 31 0A 35 22,-2.3 22,-2.7 -2,-0.3 2,-0.4 -0.915 9.0-147.4-130.2 163.3 21.5 20.8 10.0 10 15 A V E -A 30 0A 4 -2,-0.3 2,-0.3 20,-0.2 128,-0.2 -0.995 5.0-161.6-129.9 138.1 18.4 23.0 9.8 11 16 A S E -A 29 0A 34 18,-2.4 18,-1.7 -2,-0.4 2,-0.3 -0.860 15.2-159.2-114.3 157.1 17.8 26.1 7.8 12 17 A Y E -AB 28 136A 2 124,-2.1 124,-2.6 -2,-0.3 2,-0.4 -0.979 18.0-165.8-141.8 144.3 15.0 28.6 8.5 13 18 A K E -A 27 0A 72 14,-2.4 14,-2.2 -2,-0.3 2,-0.3 -0.994 26.8-129.1-132.3 127.8 12.9 31.3 7.0 14 19 A C E -A 26 0A 8 117,-2.6 12,-0.2 -2,-0.4 113,-0.0 -0.595 29.9-142.9 -71.7 129.4 10.9 33.6 9.1 15 20 A G - 0 0 30 10,-2.3 2,-0.2 -2,-0.3 -1,-0.1 0.232 23.3 -77.0 -81.0-166.3 7.3 33.8 7.8 16 21 A V - 0 0 106 10,-0.0 2,-0.3 8,-0.0 9,-0.2 -0.593 34.3-167.0 -93.3 157.4 4.8 36.6 7.5 17 22 A K + 0 0 105 -2,-0.2 7,-0.1 7,-0.1 2,-0.1 -0.972 9.2 172.5-138.1 154.4 2.6 38.3 10.2 18 23 A D - 0 0 120 -2,-0.3 -1,-0.1 5,-0.1 0, 0.0 0.195 50.1 -47.6-118.3-111.0 -0.3 40.7 9.8 19 24 A G S S+ 0 0 50 -2,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.727 122.0 51.0-124.5 -50.1 -2.9 42.3 11.9 20 25 A T S S- 0 0 99 1,-0.1 -3,-0.0 98,-0.0 98,-0.0 0.857 82.6-163.9 -65.5 -33.6 -4.5 39.7 14.2 21 26 A K + 0 0 41 97,-0.1 98,-3.5 1,-0.1 -1,-0.1 0.691 50.1 117.9 61.1 29.7 -0.9 38.8 15.1 22 27 A N + 0 0 38 96,-0.3 93,-2.6 94,-0.1 2,-0.4 0.108 54.4 79.4-113.5 24.0 -1.9 35.4 16.7 23 28 A T E - C 0 114A 10 91,-0.2 2,-0.6 96,-0.2 91,-0.2 -0.982 60.9-153.6-138.2 122.8 0.0 33.1 14.3 24 29 A I E - C 0 113A 0 89,-3.1 89,-2.1 -2,-0.4 2,-0.4 -0.853 21.8-169.5 -91.3 122.8 3.7 32.3 14.4 25 30 A R E + C 0 112A 81 -2,-0.6 -10,-2.3 -9,-0.2 2,-0.3 -0.950 17.8 145.4-115.8 131.2 4.8 31.4 10.8 26 31 A A E -AC 14 111A 3 85,-1.9 85,-2.7 -2,-0.4 2,-0.4 -0.982 32.1-143.0-154.0 162.2 8.1 29.8 9.9 27 32 A T E -AC 13 110A 24 -14,-2.2 -14,-2.4 -2,-0.3 2,-0.3 -0.998 15.4-168.8-128.4 139.0 9.6 27.3 7.5 28 33 A I E -AC 12 109A 1 81,-1.9 81,-2.3 -2,-0.4 2,-0.4 -0.815 8.6-161.2-119.8 162.1 12.4 24.8 8.2 29 34 A N E -A 11 0A 36 -18,-1.7 -18,-2.4 -2,-0.3 2,-0.5 -0.959 12.8-152.7-144.4 115.1 14.5 22.6 5.9 30 35 A I E -A 10 0A 0 77,-0.4 76,-2.3 -2,-0.4 2,-0.4 -0.866 12.3-168.4-101.7 128.1 16.3 19.6 7.5 31 36 A K E -AD 9 105A 98 -22,-2.7 -22,-2.3 -2,-0.5 2,-0.8 -0.949 23.1-134.1-117.8 139.1 19.5 18.3 5.8 32 37 A N E +A 8 0A 0 72,-2.9 71,-2.1 -2,-0.4 -24,-0.3 -0.796 26.6 175.7 -87.4 107.0 21.5 15.2 6.4 33 38 A T + 0 0 66 -26,-1.2 -25,-0.2 -2,-0.8 -1,-0.1 0.319 51.4 85.0 -95.6 2.4 25.1 16.5 6.6 34 39 A G S S- 0 0 12 -27,-1.1 69,-0.4 2,-0.2 -28,-0.1 -0.265 85.4-111.2 -96.5-169.8 26.6 13.1 7.5 35 40 A T S S+ 0 0 128 -30,-0.2 -29,-0.1 67,-0.1 -1,-0.0 0.417 94.2 57.9-110.3 4.5 27.7 10.1 5.5 36 41 A T S S- 0 0 72 65,-0.1 -29,-0.3 -29,-0.1 -2,-0.2 -0.906 93.1 -92.5-127.7 153.9 25.0 7.6 6.5 37 42 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 64,-0.2 -0.241 32.4-149.3 -62.2 158.9 21.3 7.8 6.1 38 43 A V E -F 100 0B 8 62,-2.1 62,-3.1 -4,-0.1 2,-0.5 -0.980 12.1-130.8-126.6 134.4 19.0 9.2 8.9 39 44 A N E > -F 99 0B 78 -2,-0.4 3,-2.0 60,-0.2 60,-0.3 -0.753 11.9-139.8 -81.4 130.5 15.4 8.2 9.5 40 45 A L G > S+ 0 0 3 58,-2.4 3,-2.2 -2,-0.5 53,-0.3 0.853 101.7 68.9 -57.7 -32.3 13.1 11.2 9.9 41 46 A S G 3 S+ 0 0 31 57,-0.5 -1,-0.3 1,-0.3 52,-0.2 0.705 97.5 52.1 -59.6 -22.7 11.4 9.2 12.7 42 47 A D G < S+ 0 0 52 -3,-2.0 104,-2.6 50,-0.1 105,-0.4 0.418 94.8 92.4 -88.8 -3.7 14.6 9.8 14.7 43 48 A I E < +G 145 0C 0 -3,-2.2 50,-0.4 -4,-0.2 2,-0.3 -0.817 47.5 177.0 -99.1 136.0 14.6 13.6 14.2 44 49 A K E -G 144 0C 61 100,-1.8 100,-2.5 -2,-0.4 2,-0.4 -0.959 9.5-162.1-128.7 150.9 13.1 16.2 16.4 45 50 A V E -GH 143 91C 1 46,-2.3 46,-3.3 -2,-0.3 2,-0.4 -0.995 6.3-154.5-128.9 134.4 13.2 20.0 16.0 46 51 A R E -GH 142 90C 50 96,-2.7 96,-1.8 -2,-0.4 2,-0.5 -0.955 6.2-165.7-118.3 132.7 12.5 22.6 18.8 47 52 A Y E - H 0 89C 2 42,-2.4 42,-2.8 -2,-0.4 2,-0.4 -0.973 18.1-152.5-111.5 117.1 11.2 26.2 18.3 48 53 A W E + H 0 88C 12 -2,-0.5 78,-2.5 92,-0.5 2,-0.3 -0.802 28.4 144.1-101.7 131.0 11.6 28.1 21.5 49 54 A F E - H 0 87C 0 38,-2.5 38,-1.8 -2,-0.4 37,-1.7 -0.949 50.9-106.5-156.3 168.7 9.3 31.1 22.3 50 55 A T - 0 0 23 -2,-0.3 70,-0.2 35,-0.3 73,-0.1 -0.955 25.4-152.7-104.3 126.3 7.4 33.1 24.8 51 56 A S > - 0 0 10 -2,-0.5 3,-1.7 3,-0.1 -1,-0.1 0.572 22.9-137.1 -83.2 -5.9 3.6 32.4 24.5 52 57 A D T 3 S- 0 0 54 1,-0.3 3,-0.1 67,-0.1 -1,-0.1 0.859 72.9 -41.7 58.8 39.0 2.6 35.8 25.9 53 58 A G T 3 S+ 0 0 65 1,-0.3 2,-0.6 2,-0.0 -1,-0.3 0.202 99.9 136.3 94.6 -14.5 -0.2 34.4 28.0 54 59 A N < - 0 0 10 -3,-1.7 -1,-0.3 1,-0.2 -3,-0.1 -0.540 30.0-176.0 -68.3 118.9 -1.6 32.0 25.6 55 60 A E S S+ 0 0 134 -2,-0.6 2,-0.5 1,-0.1 -1,-0.2 0.834 75.7 55.7 -79.3 -32.6 -2.3 28.7 27.4 56 61 A Q + 0 0 128 -3,-0.1 60,-0.5 -5,-0.1 2,-0.4 -0.883 62.7 168.4-105.6 128.1 -3.3 27.1 24.2 57 62 A N E -E 115 0A 14 -2,-0.5 2,-0.5 58,-0.1 18,-0.2 -0.963 17.6-158.7-139.3 113.2 -0.8 27.1 21.4 58 63 A N E -E 114 0A 77 56,-2.6 56,-2.7 -2,-0.4 2,-0.4 -0.887 4.9-144.7-108.4 128.8 -1.6 24.8 18.4 59 64 A F E +E 113 0A 36 -2,-0.5 2,-0.4 54,-0.2 54,-0.2 -0.726 18.6 176.5 -87.8 134.4 0.9 23.4 15.8 60 65 A V E -E 112 0A 51 52,-2.5 52,-2.5 -2,-0.4 2,-0.5 -0.998 19.3-150.9-135.5 131.8 -0.0 22.9 12.2 61 66 A C E -E 111 0A 15 -2,-0.4 50,-0.2 50,-0.2 3,-0.1 -0.915 10.5-172.0 -95.3 126.5 2.2 21.7 9.3 62 67 A D + 0 0 77 48,-2.3 2,-0.3 -2,-0.5 49,-0.1 0.586 62.7 6.2 -95.9 -17.5 1.0 23.2 6.0 63 68 A Y + 0 0 120 47,-0.9 -1,-0.3 4,-0.1 2,-0.3 -0.923 52.6 164.3-161.0 144.2 3.2 21.3 3.5 64 69 A A > - 0 0 7 -2,-0.3 3,-1.9 45,-0.1 4,-0.2 -0.911 38.4-128.9-156.1 144.2 5.7 18.6 3.3 65 70 A A T 3 S+ 0 0 72 41,-0.4 3,-0.1 43,-0.3 -1,-0.1 0.847 114.2 44.5 -57.7 -36.0 7.0 16.7 0.2 66 71 A F T 3 S- 0 0 49 1,-0.2 -1,-0.3 40,-0.1 3,-0.0 0.325 132.2 -78.7 -91.5 2.4 6.3 13.4 2.0 67 72 A G X - 0 0 23 -3,-1.9 3,-1.8 2,-0.1 -1,-0.2 0.282 27.1-108.4 108.8 134.7 2.9 14.5 3.3 68 73 A T G > S+ 0 0 69 1,-0.3 3,-2.0 -4,-0.2 -7,-0.1 0.786 113.0 72.0 -57.8 -28.3 1.7 16.7 6.1 69 74 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.593 90.1 60.0 -68.8 -6.3 0.4 13.6 7.8 70 75 A K G < S+ 0 0 36 -3,-1.8 24,-2.2 27,-0.1 2,-0.5 0.504 91.4 82.6 -89.1 -12.6 4.0 12.6 8.5 71 76 A V E < -I 93 0C 16 -3,-2.0 2,-0.3 22,-0.2 22,-0.2 -0.861 57.2-177.0-106.3 132.3 4.7 15.7 10.6 72 77 A K E -I 92 0C 112 20,-2.8 20,-2.5 -2,-0.5 2,-0.3 -0.912 3.0-171.9-121.5 151.6 3.8 16.0 14.2 73 78 A G E -I 91 0C 33 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.997 7.0-176.2-145.9 140.6 4.1 18.8 16.7 74 79 A I E -I 90 0C 83 16,-2.0 16,-3.0 -2,-0.3 2,-0.5 -0.995 15.1-148.2-130.8 144.8 3.6 19.3 20.4 75 80 A V E -I 89 0C 35 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.931 22.2-178.1-116.6 127.8 3.8 22.5 22.4 76 81 A K E -I 88 0C 95 12,-2.6 12,-2.3 -2,-0.5 2,-0.2 -0.958 24.3-118.0-131.6 145.1 5.0 22.3 25.9 77 82 A K E -I 87 0C 125 -2,-0.4 2,-0.6 10,-0.2 10,-0.3 -0.494 21.4-132.1 -76.5 142.9 5.6 24.7 28.8 78 83 A I E - 0 0 23 8,-2.7 3,-0.3 -2,-0.2 -1,-0.0 -0.930 10.6-157.0-102.0 124.3 9.0 25.2 30.3 79 84 A E E S+ 0 0 148 -2,-0.6 2,-0.6 1,-0.3 -1,-0.1 0.830 91.4 36.4 -68.1 -40.8 8.9 25.1 34.1 80 85 A N E S- 0 0 125 77,-0.0 -1,-0.3 0, 0.0 77,-0.2 -0.871 95.3-150.3-116.3 76.4 12.0 27.1 34.7 81 86 A S E - 0 0 78 -2,-0.6 5,-0.2 -3,-0.3 -31,-0.0 -0.256 12.6-164.4 -55.6 153.8 11.7 29.7 31.8 82 87 A V E > -I 85 0C 24 3,-1.9 3,-2.4 75,-0.1 75,-0.1 -0.737 41.9 -48.8-132.8 172.0 14.8 31.1 30.3 83 88 A P T 3 S- 0 0 92 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.279 126.0 -1.1 -57.3 125.2 15.6 34.1 28.1 84 89 A G T 3 S+ 0 0 23 39,-0.1 41,-2.7 40,-0.1 42,-0.3 0.478 120.7 81.1 77.3 6.1 13.3 34.1 25.2 85 90 A A E < + I 0 82C 0 -3,-2.4 -3,-1.9 39,-0.2 -35,-0.3 -0.850 18.0 143.8-156.3 119.3 11.4 30.9 26.1 86 91 A D E S+ 0 0 53 -37,-1.7 -8,-2.7 -2,-0.3 2,-0.3 0.302 88.1 29.3-117.0 6.1 8.6 29.9 28.4 87 92 A T E -HI 49 77C 3 -38,-1.8 -38,-2.5 -10,-0.3 2,-0.3 -0.970 64.4-159.3-155.4 155.0 7.4 27.3 25.8 88 93 A Y E -HI 48 76C 33 -12,-2.3 -12,-2.6 -2,-0.3 2,-0.5 -0.996 13.2-142.2-139.7 152.2 8.7 25.2 23.0 89 94 A C E -HI 47 75C 0 -42,-2.8 -42,-2.4 -2,-0.3 2,-0.6 -0.957 18.6-157.0-105.6 122.3 7.2 23.5 20.0 90 95 A E E -HI 46 74C 23 -16,-3.0 -16,-2.0 -2,-0.5 2,-0.4 -0.911 5.4-161.1-104.7 114.7 8.7 20.1 19.3 91 96 A I E +HI 45 73C 1 -46,-3.3 -46,-2.3 -2,-0.6 2,-0.2 -0.813 19.4 163.1 -96.7 135.9 8.3 18.9 15.7 92 97 A S E - 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