==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-09 2WOB . 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 . 459 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 61.4 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 . 162 35.3 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 . 6 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 . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.1 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+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 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 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 . 6 3 3 4 4 4 3 3 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 . 3 0 0 3 3 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 11 A A 0 0 63 0, 0.0 2,-0.3 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0 122.2 13.0 30.9 59.7 2 12 A S - 0 0 39 29,-0.2 26,-1.5 2,-0.0 27,-0.9 -0.993 360.0-175.1-146.9 150.8 15.0 28.6 61.9 3 13 A I E -A 27 0A 4 -2,-0.3 2,-0.3 142,-0.3 24,-0.2 -0.939 7.7-156.7-134.5 157.1 18.1 28.8 64.2 4 14 A S E -A 26 0A 33 22,-2.2 22,-2.8 -2,-0.3 2,-0.4 -0.934 8.4-147.1-127.7 160.6 20.2 26.5 66.2 5 15 A V E -A 25 0A 4 -2,-0.3 2,-0.3 20,-0.2 128,-0.3 -0.991 6.9-164.5-122.3 133.9 22.5 27.2 69.2 6 16 A S E -A 24 0A 34 18,-2.4 18,-1.9 -2,-0.4 2,-0.4 -0.855 14.4-160.3-116.2 159.3 25.7 25.4 70.0 7 17 A Y E -AB 23 131A 1 124,-2.5 124,-2.2 -2,-0.3 2,-0.4 -0.992 19.4-165.6-145.4 136.9 27.3 25.6 73.5 8 18 A K E -A 22 0A 71 14,-2.8 14,-2.2 -2,-0.4 119,-0.2 -0.997 30.1-124.6-128.0 132.8 30.6 25.1 75.4 9 19 A C E -A 21 0A 5 117,-3.2 12,-0.2 -2,-0.4 113,-0.0 -0.478 38.9-103.7 -73.2 135.6 30.7 24.9 79.2 10 20 A G - 0 0 16 10,-1.8 -1,-0.1 -2,-0.2 10,-0.1 -0.178 38.0 -90.5 -68.3 154.1 33.1 27.5 80.6 11 21 A V - 0 0 94 1,-0.2 2,-0.2 116,-0.0 -1,-0.1 0.594 47.0-134.7 -32.8 -37.7 36.6 26.6 82.0 12 22 A K + 0 0 176 3,-0.1 -1,-0.2 6,-0.1 6,-0.1 -0.332 49.7 149.6 107.8 -48.4 35.4 26.0 85.6 13 23 A D - 0 0 95 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 -0.068 52.7 -39.8 64.0-163.7 38.2 27.9 87.5 14 24 A G S S+ 0 0 78 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.114 102.0 73.1 119.2-105.1 39.0 29.5 89.9 15 25 A T > - 0 0 49 1,-0.1 3,-0.9 3,-0.1 -3,-0.1 -0.864 48.2-169.5 -97.3 116.0 36.1 31.9 90.7 16 26 A K T 3 S+ 0 0 113 -2,-0.6 98,-2.0 1,-0.2 -1,-0.1 0.516 82.9 64.4 -77.5 -8.7 33.1 30.2 92.3 17 27 A N T 3 S+ 0 0 59 96,-0.3 93,-2.4 94,-0.1 2,-0.4 0.194 90.6 78.8-102.7 19.3 30.9 33.4 91.9 18 28 A T E < - C 0 109A 11 -3,-0.9 2,-0.5 91,-0.2 91,-0.2 -0.981 59.2-157.4-132.6 125.0 31.0 33.4 88.0 19 29 A I E - C 0 108A 0 89,-3.0 89,-2.2 -2,-0.4 2,-0.4 -0.888 24.2-175.2 -91.0 126.9 29.0 31.4 85.5 20 30 A R E + C 0 107A 80 -2,-0.5 -10,-1.8 87,-0.2 2,-0.3 -0.979 13.5 145.4-126.6 143.1 31.0 31.3 82.2 21 31 A A E -AC 9 106A 3 85,-2.0 85,-2.7 -2,-0.4 2,-0.4 -0.980 33.4-135.9-164.3 166.2 29.9 29.8 78.9 22 32 A T E -AC 8 105A 25 -14,-2.2 -14,-2.8 -2,-0.3 2,-0.3 -1.000 19.0-175.2-133.6 134.6 30.2 30.3 75.2 23 33 A I E -AC 7 104A 2 81,-1.8 81,-2.1 -2,-0.4 2,-0.3 -0.819 10.8-158.6-119.6 167.4 27.3 30.0 72.6 24 34 A N E -A 6 0A 37 -18,-1.9 -18,-2.4 -2,-0.3 2,-0.5 -0.970 12.8-147.8-143.1 128.4 27.3 30.2 68.8 25 35 A I E -A 5 0A 0 77,-0.4 76,-2.5 -2,-0.3 2,-0.4 -0.884 15.3-169.3-107.5 126.7 24.0 31.0 66.9 26 36 A K E -AD 4 100A 94 -22,-2.8 -22,-2.2 -2,-0.5 2,-0.7 -0.938 22.0-135.8-118.5 133.9 23.5 29.5 63.5 27 37 A N E +A 3 0A 0 72,-2.5 71,-2.4 -2,-0.4 -24,-0.3 -0.845 27.6 171.9 -88.2 113.1 20.8 30.3 60.8 28 38 A T + 0 0 69 -26,-1.5 -25,-0.2 -2,-0.7 -1,-0.1 0.142 50.2 84.0-108.9 11.6 19.6 26.8 59.7 29 39 A G S S- 0 0 17 -27,-0.9 69,-0.2 2,-0.2 4,-0.1 -0.228 87.2-106.0-103.4-159.9 16.7 28.1 57.6 30 40 A T S S+ 0 0 116 67,-0.1 -3,-0.0 -2,-0.1 -1,-0.0 0.452 92.9 62.5-111.3 -3.0 16.2 29.5 54.1 31 41 A T S S- 0 0 22 199,-0.1 -29,-0.2 -29,-0.1 -2,-0.2 -0.909 87.0-101.0-124.5 154.2 15.7 33.2 54.9 32 42 A P - 0 0 46 0, 0.0 2,-0.4 0, 0.0 64,-0.2 -0.368 33.9-157.9 -63.9 149.8 17.9 35.9 56.6 33 43 A V E -F 95 0B 8 62,-2.4 62,-3.1 -4,-0.1 2,-0.3 -0.997 14.2-128.3-129.8 132.1 17.1 36.6 60.2 34 44 A N E > -F 94 0B 69 -2,-0.4 3,-1.3 60,-0.3 60,-0.3 -0.649 15.6-133.0 -74.2 136.4 18.0 39.9 62.0 35 45 A L G > S+ 0 0 4 58,-2.3 3,-2.3 -2,-0.3 53,-0.4 0.870 105.6 67.2 -54.5 -34.8 20.0 39.4 65.2 36 46 A S G 3 S+ 0 0 32 57,-0.5 -1,-0.2 1,-0.3 52,-0.2 0.767 97.2 54.7 -63.3 -23.5 17.6 42.0 66.9 37 47 A D G < S+ 0 0 41 -3,-1.3 104,-2.6 52,-0.1 2,-0.4 0.469 94.3 88.7 -78.8 -4.5 14.7 39.3 66.4 38 48 A I E < -G 140 0C 0 -3,-2.3 50,-0.5 102,-0.2 2,-0.3 -0.810 51.5-178.3-104.0 139.3 16.6 36.6 68.2 39 49 A K E -G 139 0C 28 100,-1.9 100,-2.3 -2,-0.4 2,-0.4 -0.977 7.5-162.2-123.2 148.2 16.6 35.9 72.0 40 50 A V E -GH 138 86C 2 46,-2.4 46,-3.3 -2,-0.3 2,-0.5 -0.976 6.7-156.8-125.2 135.6 18.6 33.2 73.9 41 51 A R E -GH 137 85C 41 96,-2.9 96,-1.9 -2,-0.4 2,-0.5 -0.979 7.9-166.1-118.5 134.0 17.7 32.0 77.4 42 52 A Y E - H 0 84C 3 42,-2.4 42,-2.4 -2,-0.5 2,-0.4 -0.963 18.2-151.6-112.3 122.3 20.1 30.4 79.9 43 53 A W E + H 0 83C 15 -2,-0.5 78,-2.4 92,-0.4 79,-0.3 -0.815 29.4 141.0-104.8 131.7 18.1 28.8 82.7 44 54 A F E - H 0 82C 0 38,-2.6 37,-2.1 -2,-0.4 38,-1.8 -0.927 50.9-101.6-156.9 175.5 19.6 28.4 86.3 45 55 A T - 0 0 12 -2,-0.3 70,-0.3 35,-0.3 73,-0.1 -0.962 23.1-151.4-112.3 125.8 19.2 28.5 90.0 46 56 A S > - 0 0 12 -2,-0.5 3,-2.1 1,-0.1 -1,-0.1 0.536 22.7-142.0 -76.8 -8.1 20.6 31.7 91.5 47 57 A D T 3 S- 0 0 43 1,-0.3 3,-0.1 68,-0.1 -1,-0.1 0.782 71.5 -43.8 54.0 40.3 21.4 29.9 94.8 48 58 A G T 3 S+ 0 0 65 1,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.187 100.4 139.0 91.8 -16.4 20.4 32.9 97.0 49 59 A N < - 0 0 8 -3,-2.1 -1,-0.3 1,-0.2 -3,-0.1 -0.515 29.6-176.1 -62.7 113.1 22.2 35.4 94.8 50 60 A E S S+ 0 0 134 -2,-0.5 2,-0.5 1,-0.1 -1,-0.2 0.835 72.5 54.0 -78.9 -36.3 19.8 38.4 94.7 51 61 A Q + 0 0 130 -3,-0.1 60,-0.6 -5,-0.1 2,-0.4 -0.894 62.6 169.5-103.2 131.6 22.1 40.3 92.3 52 62 A N E -E 110 0A 18 -2,-0.5 2,-0.5 58,-0.1 58,-0.2 -0.939 13.7-165.5-140.4 107.7 23.1 38.5 89.0 53 63 A N E -E 109 0A 89 56,-2.7 56,-2.9 -2,-0.4 2,-0.3 -0.842 10.6-141.1-107.8 138.3 24.8 40.6 86.4 54 64 A F E -E 108 0A 34 -2,-0.5 2,-0.3 14,-0.3 54,-0.2 -0.746 19.4-179.9 -90.3 136.7 25.4 39.7 82.8 55 65 A V E -E 107 0A 58 52,-2.2 52,-2.4 -2,-0.3 2,-0.5 -0.995 19.6-144.1-134.1 135.8 28.6 40.6 81.0 56 66 A C E -E 106 0A 21 -2,-0.3 50,-0.2 50,-0.2 3,-0.1 -0.872 9.6-167.0 -99.9 129.0 29.5 39.8 77.3 57 67 A D - 0 0 50 48,-2.4 2,-0.3 -2,-0.5 49,-0.2 0.809 65.7 -16.7 -83.5 -38.1 33.3 38.9 76.9 58 68 A Y + 0 0 131 47,-1.0 -1,-0.3 4,-0.1 2,-0.3 -0.955 53.3 176.9-162.8 145.5 33.5 39.1 73.1 59 69 A A > - 0 0 5 -2,-0.3 3,-1.6 45,-0.1 4,-0.2 -0.914 35.3-126.2-153.3 144.8 31.3 39.2 69.9 60 70 A A T 3 S+ 0 0 69 41,-0.4 3,-0.1 43,-0.3 44,-0.1 0.816 112.7 45.7 -59.3 -33.4 32.5 39.6 66.3 61 71 A F T 3 S- 0 0 47 1,-0.2 -1,-0.3 40,-0.1 3,-0.1 0.409 132.0 -75.9 -93.7 1.2 30.1 42.5 65.7 62 72 A G X - 0 0 21 -3,-1.6 3,-1.7 1,-0.1 -1,-0.2 0.195 28.0-112.8 113.2 135.0 31.0 44.2 69.0 63 73 A T G > S+ 0 0 66 1,-0.3 3,-1.4 -4,-0.2 -7,-0.1 0.730 109.3 71.5 -73.5 -17.1 30.1 43.6 72.7 64 74 A D G 3 S+ 0 0 106 1,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.555 93.6 58.5 -70.5 -7.1 28.1 46.8 72.9 65 75 A K G < S+ 0 0 39 -3,-1.7 24,-1.5 23,-0.1 2,-0.5 0.396 88.7 83.2-101.0 1.8 25.5 45.1 70.7 66 76 A V E < -I 88 0C 7 -3,-1.4 2,-0.3 22,-0.2 22,-0.2 -0.941 59.5-173.4-111.0 127.7 24.8 42.2 73.1 67 77 A K E -I 87 0C 116 20,-2.6 20,-2.4 -2,-0.5 2,-0.4 -0.923 3.0-171.1-117.9 143.1 22.4 42.9 76.0 68 78 A G E -I 86 0C 29 -2,-0.3 2,-0.4 18,-0.2 -14,-0.3 -1.000 4.8-175.5-135.4 135.9 21.6 40.5 78.9 69 79 A I E -I 85 0C 88 16,-1.9 16,-3.2 -2,-0.4 2,-0.5 -0.978 14.7-147.4-125.8 145.7 18.9 40.8 81.5 70 80 A V E -I 84 0C 33 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.960 20.2-174.8-114.0 126.3 18.5 38.4 84.4 71 81 A K E -I 83 0C 87 12,-3.0 12,-2.1 -2,-0.5 2,-0.1 -0.974 24.5-125.1-127.9 135.9 15.0 37.7 85.7 72 82 A K E -I 82 0C 140 -2,-0.4 2,-0.4 10,-0.2 10,-0.3 -0.448 29.0-128.9 -68.4 145.3 13.5 35.7 88.6 73 83 A I E - 0 0 38 8,-2.3 3,-0.3 1,-0.2 -1,-0.0 -0.878 7.7-150.0-100.7 130.9 10.9 33.1 87.6 74 84 A E E S+ 0 0 176 -2,-0.4 2,-1.1 1,-0.3 -1,-0.2 0.974 93.4 36.6 -66.7 -59.8 7.6 33.2 89.5 75 85 A N E S- 0 0 100 233,-0.0 -1,-0.3 264,-0.0 0, 0.0 -0.758 91.2-159.1 -94.9 92.4 6.7 29.5 89.4 76 86 A S E - 0 0 12 -2,-1.1 5,-0.2 -3,-0.3 262,-0.1 -0.220 6.5-162.3 -75.2 159.0 10.1 28.0 89.7 77 87 A V E > -I 80 0C 53 3,-2.3 3,-2.4 262,-0.1 2,-0.2 -0.871 41.8 -65.5-129.7 168.8 10.8 24.5 88.5 78 88 A P T 3 S+ 0 0 69 0, 0.0 261,-0.0 0, 0.0 326,-0.0 -0.381 124.7 12.7 -58.6 123.0 13.6 22.0 89.3 79 89 A G T 3 S+ 0 0 13 -2,-0.2 41,-2.1 39,-0.1 2,-0.4 0.243 119.8 70.6 96.5 -9.1 16.8 23.6 87.8 80 90 A A E < + I 0 77C 0 -3,-2.4 -3,-2.3 39,-0.2 -35,-0.3 -0.828 25.8 137.5-148.4 112.6 15.5 27.0 87.2 81 91 A D E S+ 0 0 52 -37,-2.1 -8,-2.3 -2,-0.4 2,-0.3 0.322 85.3 28.5-113.1 5.7 14.5 29.8 89.5 82 92 A T E -HI 44 72C 3 -38,-1.8 -38,-2.6 -10,-0.3 2,-0.3 -0.971 65.1-160.7-158.3 145.8 16.1 32.5 87.3 83 93 A Y E -HI 43 71C 34 -12,-2.1 -12,-3.0 -2,-0.3 2,-0.5 -0.990 13.1-142.4-136.2 152.5 16.9 33.0 83.6 84 94 A C E -HI 42 70C 0 -42,-2.4 -42,-2.4 -2,-0.3 2,-0.6 -0.960 18.6-157.4-107.2 124.0 19.4 35.2 81.7 85 95 A E E -HI 41 69C 31 -16,-3.2 -16,-1.9 -2,-0.5 2,-0.4 -0.914 3.4-159.7-109.6 122.5 17.9 36.4 78.5 86 96 A I E +HI 40 68C 2 -46,-3.3 -46,-2.4 -2,-0.6 2,-0.3 -0.820 19.0 165.3-104.9 133.5 20.4 37.5 75.8 87 97 A S E - 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