==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-07 2RG0 . COMPND 2 MOLECULE: CELLULOSE 1,4-BETA-CELLOBIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MELANOCARPUS ALBOMYCES; . AUTHOR T.PARKKINEN,A.KOIVULA,J.VEHMAANPER,J.ROUVINEN . 1720 4 36 36 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1035 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 406 23.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 27 1.6 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 . 2 0.1 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 . 185 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 0.8 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 9 5 0 4 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 11 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 . 40 21 17 11 5 4 8 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 . 15 5 4 1 2 1 1 1 2 0 1 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 1 A X 0 0 0 0, 0.0 161,-1.1 0, 0.0 162,-0.5 0.000 360.0 360.0 360.0-177.0 19.7 -10.3 52.4 2 2 A R E -a 70 0A 70 67,-1.2 69,-1.8 64,-0.3 2,-0.3 -0.291 360.0 -93.5 -82.7 176.7 20.1 -8.8 49.0 3 3 A A E -a 71 0A 24 67,-0.3 2,-0.5 159,-0.2 69,-0.2 -0.711 34.2-117.9 -91.3 137.7 17.7 -6.7 47.0 4 4 A G - 0 0 2 67,-4.1 3,-0.3 -2,-0.3 69,-0.2 -0.736 19.3-163.7 -84.7 120.7 15.3 -8.3 44.4 5 5 A N S S+ 0 0 129 -2,-0.5 -1,-0.1 1,-0.2 67,-0.1 0.360 75.6 74.6 -85.5 -8.2 15.9 -7.0 40.9 6 6 A E S S+ 0 0 75 1,-0.1 1384,-0.4 1383,-0.0 -1,-0.2 0.899 98.5 43.8 -77.5 -39.6 12.6 -8.1 39.3 7 7 A T S S- 0 0 10 -3,-0.3 2,-0.6 1382,-0.1 1384,-0.1 -0.848 74.5-136.4-109.1 141.0 10.5 -5.4 40.9 8 8 A P - 0 0 91 0, 0.0 2,-0.6 0, 0.0 1384,-0.1 -0.865 31.2-123.6 -89.6 124.1 11.2 -1.7 41.4 9 9 A E - 0 0 19 -2,-0.6 2,-0.4 64,-0.1 1382,-0.0 -0.582 22.8-154.0 -76.4 113.0 10.2 -0.6 44.9 10 10 A N - 0 0 43 -2,-0.6 65,-0.4 1361,-0.0 64,-0.2 -0.743 4.3-161.4 -91.8 131.5 7.6 2.2 45.0 11 11 A H - 0 0 32 -2,-0.4 22,-0.2 22,-0.1 156,-0.0 -0.907 15.2-140.6-114.6 99.4 7.5 4.5 48.0 12 12 A P - 0 0 30 0, 0.0 20,-2.8 0, 0.0 2,-0.1 -0.231 22.2-116.0 -64.8 153.4 4.2 6.5 48.3 13 13 A P B -D 31 0B 83 0, 0.0 18,-0.3 0, 0.0 74,-0.2 -0.342 30.0-179.0 -84.9 165.9 4.5 10.1 49.5 14 14 A L - 0 0 8 16,-1.6 16,-0.4 97,-0.1 74,-0.2 -0.337 18.0-143.6-169.9 83.0 3.0 11.5 52.7 15 15 A T + 0 0 43 72,-1.5 404,-0.3 14,-0.2 2,-0.2 -0.185 31.1 157.3 -58.2 134.3 3.2 15.1 53.8 16 16 A W E -L 28 0C 7 12,-1.7 12,-4.3 402,-0.1 2,-0.3 -0.737 25.3-134.8-138.2-177.5 3.6 15.7 57.6 17 17 A Q E -Lm 27 420C 26 402,-1.1 404,-1.4 10,-0.3 10,-0.3 -0.874 13.9-130.0-163.9 132.1 5.1 18.7 59.3 18 18 A R E -Lm 26 421C 105 8,-0.9 8,-1.9 -2,-0.3 2,-0.5 -0.407 34.5-140.8 -60.0 152.0 7.3 20.0 61.9 19 19 A a E +L 25 0C 2 402,-1.6 6,-0.3 6,-0.3 409,-0.1 -0.894 25.6 174.5-127.5 97.0 5.5 22.6 64.1 20 20 A T E S+ 0 0 63 4,-1.4 5,-0.2 -2,-0.5 -1,-0.2 1.000 74.6 0.8 -68.0 -66.1 7.3 25.7 65.2 21 21 A A E > S-L 24 0C 7 3,-1.0 2,-3.5 406,-0.1 3,-1.1 -0.842 91.6 -88.0-118.4 159.2 4.4 27.6 66.9 22 22 A P T 3 S+ 0 0 42 0, 0.0 405,-0.1 0, 0.0 404,-0.1 -0.314 130.1 19.5 -67.2 67.9 0.7 26.5 67.4 23 23 A G T 3 S+ 0 0 67 -2,-3.5 2,-0.9 403,-0.3 404,-0.0 -0.061 111.2 77.0 157.3 -32.1 -0.1 28.0 64.0 24 24 A N E < +L 21 0C 67 -3,-1.1 -4,-1.4 402,-0.1 -3,-1.0 -0.611 60.1 147.8-106.0 74.9 3.3 28.2 62.3 25 25 A a E -L 19 0C 33 -2,-0.9 2,-0.4 -6,-0.3 -6,-0.3 -0.861 33.5-147.8-106.7 139.8 3.9 24.6 61.3 26 26 A Q E -L 18 0C 101 -8,-1.9 -8,-0.9 -2,-0.4 2,-0.2 -0.927 15.8-120.4-118.7 141.5 5.8 23.7 58.1 27 27 A T E -L 17 0C 70 -2,-0.4 2,-0.5 -10,-0.3 -10,-0.3 -0.464 12.0-152.2 -83.3 138.8 5.2 20.6 55.9 28 28 A V E -L 16 0C 17 -12,-4.3 2,-2.1 -2,-0.2 -12,-1.7 -0.951 13.3-143.0-115.5 122.3 7.6 17.8 55.0 29 29 A N + 0 0 129 -2,-0.5 -14,-0.2 -14,-0.2 -12,-0.1 -0.205 44.5 164.1 -82.9 52.4 7.1 16.0 51.7 30 30 A A - 0 0 6 -2,-2.1 -16,-1.6 -16,-0.4 2,-0.3 0.344 25.0-144.9 -58.9-168.3 8.0 12.6 53.2 31 31 A E E -DE 13 111B 40 80,-0.8 80,-1.2 -18,-0.3 2,-0.3 -0.885 7.7-132.5-148.8 176.2 7.3 9.1 51.8 32 32 A V E - E 0 110B 1 -20,-2.8 2,-0.3 -2,-0.3 78,-0.2 -0.991 13.6-173.3-142.0 155.3 6.5 5.7 53.1 33 33 A V E - E 0 109B 0 76,-1.3 76,-1.4 -2,-0.3 2,-0.3 -0.958 22.7-117.3-140.5 160.9 7.6 2.1 52.8 34 34 A I E - E 0 108B 0 -2,-0.3 74,-0.2 74,-0.2 40,-0.1 -0.680 35.1 -93.6-101.2 152.0 6.3 -1.3 54.1 35 35 A D > - 0 0 2 72,-1.9 3,-1.6 -2,-0.3 134,-0.2 -0.302 35.3-119.3 -60.2 145.1 8.0 -3.8 56.4 36 36 A A G > S+ 0 0 8 132,-3.4 3,-2.2 1,-0.3 36,-0.1 0.655 102.6 80.7 -61.0 -22.3 9.9 -6.6 54.5 37 37 A N G 3 S+ 0 0 28 131,-0.3 -1,-0.3 1,-0.3 131,-0.1 0.746 90.1 54.7 -63.3 -19.2 7.7 -9.3 56.0 38 38 A W G < S+ 0 0 43 -3,-1.6 2,-0.3 69,-0.1 -1,-0.3 0.146 94.2 97.5 -95.7 18.1 5.1 -8.5 53.3 39 39 A R S < S- 0 0 4 -3,-2.2 2,-0.1 128,-0.0 34,-0.1 -0.825 78.6-101.5-116.8 150.9 7.6 -8.9 50.5 40 40 A W - 0 0 112 -2,-0.3 32,-1.3 33,-0.1 2,-0.4 -0.418 30.8-150.8 -75.6 141.2 8.4 -11.9 48.1 41 41 A L E +B 71 0A 4 9,-0.2 8,-0.6 30,-0.2 9,-0.5 -0.902 25.9 152.6-113.5 131.1 11.4 -14.1 48.7 42 42 A H E -BC 70 48A 14 28,-1.2 28,-0.6 6,-0.4 6,-0.3 -0.997 39.3-121.7-163.1 158.5 13.4 -15.9 46.1 43 43 A D > - 0 0 30 4,-4.4 3,-0.7 -2,-0.3 26,-0.1 -0.328 62.0 -77.2 -87.2 176.8 16.5 -17.5 44.6 44 44 A D T 3 S+ 0 0 116 24,-0.3 4,-0.1 1,-0.3 25,-0.1 0.331 123.2 50.1 -68.3 9.4 18.0 -16.4 41.3 45 45 A N T 3 S- 0 0 128 2,-0.4 2,-1.6 3,-0.0 -1,-0.3 -0.227 121.0 -83.8-146.8 58.0 15.4 -18.2 39.2 46 46 A M S < S+ 0 0 117 -3,-0.7 -2,-0.1 1,-0.2 0, 0.0 -0.168 92.3 122.1 77.0 -41.7 11.9 -17.4 40.3 47 47 A Q - 0 0 134 -2,-1.6 -4,-4.4 -5,-0.1 -2,-0.4 -0.267 63.3-122.2 -57.6 133.5 12.0 -20.1 43.0 48 48 A N B -C 42 0A 30 -6,-0.3 -6,-0.4 1,-0.1 10,-0.3 -0.087 4.9-140.1 -70.2 170.8 11.3 -18.6 46.4 49 49 A b S S+ 0 0 0 -8,-0.6 7,-0.9 1,-0.2 2,-0.2 0.149 91.9 2.7-112.1 12.0 13.5 -18.7 49.5 50 50 A Y E S-S 55 0D 13 -9,-0.5 5,-0.3 5,-0.4 2,-0.3 -0.917 72.9-169.8 176.9 164.5 10.5 -19.3 51.7 51 51 A D E > -S 54 0D 98 3,-2.4 3,-4.5 -2,-0.2 2,-1.4 -0.960 57.2 -4.1-175.0 156.0 6.7 -19.7 51.1 52 52 A G T 3 S- 0 0 35 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.432 130.3 -47.9 55.8 -93.5 3.3 -19.9 52.7 53 53 A N T 3 S+ 0 0 27 -2,-1.4 2,-0.5 2,-0.1 -1,-0.3 0.032 124.1 99.0-150.6 20.7 4.9 -19.7 56.1 54 54 A Q E < S-S 51 0D 131 -3,-4.5 -3,-2.4 145,-0.1 135,-0.1 -0.958 70.9-130.6-112.5 122.2 7.5 -22.3 55.4 55 55 A W E -S 50 0D 16 -2,-0.5 -5,-0.4 -5,-0.3 -2,-0.1 -0.196 38.1-120.2 -62.0 169.6 11.1 -21.5 54.4 56 56 A T - 0 0 37 -7,-0.9 -1,-0.1 2,-0.3 3,-0.1 -0.304 17.6-109.4-111.3-173.0 12.3 -23.4 51.3 57 57 A N S S+ 0 0 166 1,-0.2 2,-1.3 -9,-0.1 -8,-0.1 0.658 111.2 75.8 -83.5 -26.3 14.8 -25.8 49.8 58 58 A A S S+ 0 0 10 -10,-0.3 -2,-0.3 2,-0.1 -1,-0.2 -0.760 102.0 38.8 -87.0 83.3 16.0 -22.7 47.9 59 59 A c - 0 0 8 -2,-1.3 3,-0.1 -4,-0.1 -16,-0.0 -0.420 61.8-177.4 137.5 150.1 17.7 -21.6 51.2 60 60 A S + 0 0 80 1,-0.5 2,-0.2 -2,-0.2 3,-0.1 0.498 60.9 10.2-135.6 -59.5 19.5 -23.8 53.8 61 61 A T S >> S- 0 0 44 1,-0.1 4,-2.2 129,-0.1 3,-0.6 -0.740 72.3-105.1-125.6 171.9 20.8 -21.8 56.8 62 62 A A H 3> S+ 0 0 16 1,-0.2 4,-1.5 -2,-0.2 125,-0.9 0.981 120.6 44.5 -57.3 -59.5 20.4 -18.4 58.3 63 63 A T H 34 S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.445 115.7 49.6 -65.9 -7.0 23.8 -17.2 57.3 64 64 A D H X> S+ 0 0 49 -3,-0.6 4,-2.1 2,-0.1 3,-1.0 0.756 104.0 56.2-102.9 -34.9 23.4 -18.7 53.8 65 65 A c H 3X S+ 0 0 0 -4,-2.2 4,-1.6 -3,-0.3 -2,-0.2 0.856 96.6 65.3 -63.5 -37.9 19.9 -17.2 53.0 66 66 A A H 3< S+ 0 0 1 -4,-1.5 -64,-0.3 1,-0.2 -1,-0.2 0.741 115.1 30.7 -55.8 -24.4 21.2 -13.7 53.7 67 67 A E H <4 S+ 0 0 134 -3,-1.0 -2,-0.2 -66,-0.2 -1,-0.2 0.754 119.4 48.9-106.8 -35.4 23.5 -14.1 50.6 68 68 A K H < S+ 0 0 46 -4,-2.1 -24,-0.3 -19,-0.0 -3,-0.2 0.552 108.3 56.2 -83.9 -15.2 21.5 -16.5 48.3 69 69 A b < - 0 0 0 -4,-1.6 -67,-1.2 -5,-0.2 2,-0.3 -0.491 58.8-162.6-115.4-177.4 18.2 -14.6 48.4 70 70 A M E -aB 2 42A 11 -28,-0.6 -28,-1.2 -69,-0.2 2,-0.3 -0.969 16.7-125.5-166.0 153.8 16.7 -11.2 47.8 71 71 A I E -aB 3 41A 0 -69,-1.8 -67,-4.1 -2,-0.3 -30,-0.2 -0.749 23.2-148.0-103.8 142.7 13.6 -9.2 48.6 72 72 A E - 0 0 8 -32,-1.3 2,-0.2 -2,-0.3 -67,-0.1 -0.490 18.0-104.6-107.1-179.3 11.4 -7.5 46.1 73 73 A G - 0 0 0 -69,-0.2 -33,-0.1 -2,-0.1 -64,-0.1 -0.676 17.6-137.8-102.2 158.6 9.3 -4.3 46.1 74 74 A A + 0 0 1 -2,-0.2 2,-1.3 -64,-0.2 1318,-1.2 0.957 27.7 171.9 -82.5 -56.6 5.5 -4.2 46.4 75 75 A G + 0 0 3 -65,-0.4 2,-2.7 1316,-0.1 3,-0.3 -0.662 63.6 64.7 84.0 -94.6 4.4 -1.6 43.8 76 76 A D >> + 0 0 2 -2,-1.3 4,-2.5 1,-0.2 5,-1.3 -0.365 54.9 160.7 -64.8 77.1 0.6 -1.8 43.8 77 77 A Y T 45S+ 0 0 6 -2,-2.7 6,-2.9 3,-0.2 -1,-0.2 0.769 79.9 47.3 -68.4 -23.8 0.2 -0.7 47.4 78 78 A L T >5S+ 0 0 24 4,-0.3 4,-1.2 -3,-0.3 -1,-0.1 0.974 122.5 29.6 -72.5 -72.0 -3.4 0.0 46.4 79 79 A G T 45S+ 0 0 18 2,-0.1 20,-0.2 1,-0.1 -2,-0.2 0.611 136.8 25.7 -66.1 -17.7 -4.2 -3.3 44.6 80 80 A T T <5S+ 0 0 6 -4,-2.5 23,-0.3 3,-0.1 -3,-0.2 0.780 134.4 22.4-115.1 -51.8 -1.9 -5.4 46.7 81 81 A Y T 4 - 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