==== 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 2RFW . 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) . 61759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1104 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 456 26.5 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 . 29 1.7 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 . 5 0.3 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 . 171 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 183 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 0.9 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 11 6 0 5 0 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 12 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 . 26 19 7 19 8 5 9 6 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 . 17 3 4 0 0 1 0 0 1 0 0 0 0 0 0 3 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 5 0, 0.0 161,-2.1 0, 0.0 69,-0.2 0.000 360.0 360.0 360.0 143.8 19.3 -9.5 52.2 2 2 A R E -a 70 0A 113 67,-2.1 69,-1.5 64,-0.2 2,-0.5 -0.335 360.0-107.8 -72.9 164.3 20.1 -8.3 48.7 3 3 A A E -a 71 0A 29 159,-0.3 69,-0.1 67,-0.2 160,-0.1 -0.889 41.6-114.7 -99.8 126.4 17.9 -5.8 47.0 4 4 A G - 0 0 10 67,-2.0 67,-0.1 -2,-0.5 -1,-0.1 0.057 17.3-159.0 -64.7 163.1 15.7 -7.2 44.2 5 5 A N S S+ 0 0 132 65,-0.1 67,-0.1 3,-0.1 -1,-0.1 -0.359 77.5 70.3-139.5 49.1 15.6 -6.6 40.5 6 6 A E S S+ 0 0 39 1,-0.2 1384,-0.7 1384,-0.0 66,-0.1 0.411 103.9 29.2-132.9 -27.0 12.1 -7.7 39.4 7 7 A T S S- 0 0 13 1382,-0.1 66,-1.5 1384,-0.1 -1,-0.2 -0.892 78.7-134.2-148.1 100.9 9.9 -5.0 40.9 8 8 A P - 0 0 85 0, 0.0 2,-0.6 0, 0.0 67,-0.6 -0.026 23.8-119.3 -46.4 160.4 11.1 -1.4 41.5 9 9 A E + 0 0 33 64,-0.2 2,-0.7 65,-0.1 64,-0.0 -0.911 31.8 179.0-110.5 112.5 10.3 0.2 44.8 10 10 A N - 0 0 64 -2,-0.6 67,-0.2 65,-0.3 1362,-0.1 -0.819 18.3-146.4-119.4 100.6 8.2 3.4 44.6 11 11 A H - 0 0 32 -2,-0.7 22,-0.2 1,-0.1 155,-0.0 -0.259 19.9-119.5 -52.7 143.5 7.4 5.0 47.9 12 12 A P - 0 0 19 0, 0.0 20,-2.3 0, 0.0 -1,-0.1 -0.829 37.0-119.1 -85.3 124.6 3.9 6.7 48.2 13 13 A P E -D 31 0B 86 0, 0.0 18,-0.3 0, 0.0 2,-0.3 0.048 32.5-171.6 -62.7 170.3 4.6 10.3 49.0 14 14 A L E -D 30 0B 5 16,-0.6 16,-3.4 17,-0.1 2,-0.4 -0.871 16.3-140.9-168.5 128.1 3.3 12.1 52.1 15 15 A T E +D 29 0B 40 72,-2.5 404,-0.5 -2,-0.3 2,-0.3 -0.755 32.9 143.7 -95.2 146.5 3.0 15.5 53.6 16 16 A W E -D 28 0B 8 12,-0.8 12,-3.2 -2,-0.4 2,-0.3 -0.902 24.5-152.9-157.0 178.2 3.6 16.4 57.2 17 17 A Q E -De 27 420B 35 402,-2.1 404,-1.0 10,-0.3 2,-0.3 -0.958 16.6-120.7-154.7 173.6 5.1 19.3 59.0 18 18 A R E -De 26 421B 123 8,-1.4 8,-1.0 -2,-0.3 2,-0.5 -0.910 21.7-154.7-115.2 145.8 6.9 20.9 62.0 19 19 A a E -D 25 0B 1 402,-1.6 6,-0.2 -2,-0.3 407,-0.1 -0.939 12.4-175.4-126.1 111.9 5.4 23.7 64.0 20 20 A T E S+ 0 0 56 4,-0.7 -1,-0.1 -2,-0.5 5,-0.1 0.875 78.2 5.8 -74.9 -30.9 7.7 26.1 65.9 21 21 A A E > S-D 24 0B 3 3,-0.8 3,-2.9 405,-0.3 -1,-0.1 -0.934 95.2 -81.5-146.4 165.6 4.8 27.9 67.5 22 22 A P T 3 S+ 0 0 57 0, 0.0 407,-0.3 0, 0.0 404,-0.1 0.574 128.1 27.6 -54.1 -13.4 1.0 27.6 67.7 23 23 A G T 3 S+ 0 0 66 405,-0.1 2,-0.6 1,-0.1 404,-0.1 0.143 104.3 91.6-128.3 18.3 0.3 29.2 64.3 24 24 A N E < +D 21 0B 55 -3,-2.9 -3,-0.8 402,-0.3 -4,-0.7 -0.866 45.5 136.4-121.8 98.2 3.5 28.3 62.7 25 25 A a E +D 19 0B 44 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.914 21.1 179.8-133.4 161.3 3.6 25.1 60.7 26 26 A Q E -D 18 0B 140 -8,-1.0 -8,-1.4 -2,-0.3 -2,-0.0 -0.911 30.5 -90.4-169.1 139.8 5.0 24.2 57.3 27 27 A T E -D 17 0B 63 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.049 16.2-160.3 -66.9 153.2 5.3 21.0 55.1 28 28 A V E -D 16 0B 24 -12,-3.2 -12,-0.8 -14,-0.1 2,-0.6 -0.978 21.5-142.5-121.3 102.2 7.8 18.2 54.9 29 29 A N E +D 15 0B 129 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.1 -0.591 43.5 152.1 -71.2 119.4 7.3 16.5 51.6 30 30 A A E -D 14 0B 10 -16,-3.4 -16,-0.6 -2,-0.6 2,-0.2 -0.044 33.0-143.0-121.4-132.5 8.0 13.0 52.6 31 31 A E E -D 13 0B 38 -18,-0.3 80,-1.9 80,-0.2 2,-0.3 -0.811 13.8-126.9 168.6 152.1 7.0 9.4 51.6 32 32 A V E -M 110 0C 0 -20,-2.3 2,-0.3 -2,-0.2 78,-0.2 -0.790 13.1-156.0-118.8 163.1 6.3 6.1 53.4 33 33 A V E -M 109 0C 0 76,-2.0 76,-2.2 -2,-0.3 2,-0.4 -0.948 18.3-119.0-132.3 155.6 7.6 2.6 53.1 34 34 A I E -M 108 0C 0 -2,-0.3 74,-0.2 74,-0.2 4,-0.1 -0.768 39.1 -98.6 -95.5 139.5 6.2 -0.8 54.0 35 35 A D > - 0 0 1 72,-2.1 3,-1.2 -2,-0.4 134,-0.2 -0.243 34.4-119.1 -46.9 140.7 7.9 -3.1 56.5 36 36 A A G > S+ 0 0 17 132,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.537 101.4 83.4 -68.2 -11.0 10.0 -5.7 54.6 37 37 A N G 3 S+ 0 0 26 131,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.553 87.3 56.6 -73.7 1.3 8.1 -8.6 56.1 38 38 A W G < S+ 0 0 45 -3,-1.2 -1,-0.2 69,-0.1 2,-0.1 0.404 89.7 104.2-106.7 1.1 5.5 -8.1 53.3 39 39 A R S < S- 0 0 4 -3,-1.5 2,-0.4 128,-0.1 35,-0.1 -0.437 75.3-106.8 -92.4 156.0 7.9 -8.4 50.4 40 40 A W - 0 0 69 33,-0.4 32,-1.4 -2,-0.1 2,-0.4 -0.724 32.4-162.2 -76.6 134.3 8.7 -11.1 47.9 41 41 A L E +B 71 0A 4 -2,-0.4 8,-1.3 30,-0.3 9,-0.6 -0.979 22.4 151.0-116.2 120.3 12.0 -12.9 48.6 42 42 A H E -BC 70 48A 2 28,-2.1 28,-0.9 -2,-0.4 6,-0.2 -0.998 37.7-125.9-154.1 150.7 13.7 -14.9 45.8 43 43 A D > - 0 0 23 4,-2.0 3,-0.9 -2,-0.3 26,-0.1 0.135 60.7 -69.8 -73.0-154.2 16.9 -16.1 44.5 44 44 A D T 3 S+ 0 0 135 1,-0.2 -1,-0.1 24,-0.1 25,-0.1 0.157 133.2 53.6 -90.9 17.8 18.1 -15.5 40.9 45 45 A N T 3 S- 0 0 95 2,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.254 113.2-113.2-124.4 -0.2 15.5 -17.9 39.5 46 46 A M < + 0 0 85 -3,-0.9 2,-0.5 1,-0.3 -2,-0.1 0.635 69.3 146.8 71.7 13.1 12.5 -16.3 41.2 47 47 A Q - 0 0 94 1,-0.1 -4,-2.0 11,-0.0 -1,-0.3 -0.715 53.8-110.6 -74.0 126.2 12.2 -19.4 43.3 48 48 A N B -C 42 0A 34 -2,-0.5 10,-0.3 -6,-0.2 -6,-0.2 0.024 21.9-161.6 -54.5 164.5 11.0 -18.2 46.7 49 49 A b S S+ 0 0 0 -8,-1.3 2,-0.3 1,-0.4 7,-0.1 0.275 91.4 24.0-115.0 -5.5 13.0 -18.2 49.8 50 50 A Y + 0 0 20 -9,-0.6 -1,-0.4 5,-0.3 5,-0.2 -0.953 66.1 161.0-157.6 148.2 9.6 -18.0 51.6 51 51 A D B > -S 54 0D 93 3,-1.6 3,-1.7 -2,-0.3 2,-0.8 -0.815 67.0 -5.2-177.2 131.7 6.0 -18.8 50.6 52 52 A G T 3 S- 0 0 32 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 -0.695 131.2 -40.1 76.8-111.2 2.9 -19.3 52.7 53 53 A N T 3 S+ 0 0 33 -2,-0.8 2,-0.4 147,-0.2 -1,-0.2 0.028 122.9 75.1-129.0 25.9 4.4 -19.1 56.2 54 54 A Q B < S-S 51 0D 83 -3,-1.7 -3,-1.6 148,-0.1 2,-0.1 -0.981 74.4-106.4-149.0 154.3 7.6 -21.0 55.5 55 55 A W - 0 0 26 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.1 -0.463 29.8-149.0 -68.9 142.5 11.0 -21.1 53.9 56 56 A T > - 0 0 35 -7,-0.1 3,-1.2 -2,-0.1 -1,-0.1 -0.339 36.6 -91.8 -96.4 173.2 11.8 -23.2 50.8 57 57 A N T 3 S+ 0 0 154 1,-0.2 -8,-0.1 -2,-0.1 -2,-0.0 0.229 107.3 91.5 -84.5 18.4 15.0 -24.9 49.7 58 58 A A T 3 S+ 0 0 13 -10,-0.3 -1,-0.2 2,-0.0 -9,-0.1 0.725 101.4 32.6 -71.2 -18.3 16.2 -21.8 47.9 59 59 A c < + 0 0 10 -3,-1.2 3,-0.1 -10,-0.1 -9,-0.0 -0.168 57.7 164.7-110.9-163.5 17.7 -21.3 51.3 60 60 A S + 0 0 68 1,-0.6 130,-0.2 -2,-0.1 2,-0.2 -0.131 59.4 37.4 175.6 -63.5 19.1 -23.4 54.2 61 61 A T S > S- 0 0 48 128,-0.1 4,-1.4 1,-0.1 -1,-0.6 -0.591 79.3-103.5-110.5 172.8 21.1 -21.6 56.8 62 62 A A H > S+ 0 0 12 -2,-0.2 125,-1.0 2,-0.2 4,-0.9 0.959 115.6 34.9 -52.8 -63.5 21.0 -18.3 58.6 63 63 A T H >> S+ 0 0 61 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.916 113.1 53.7 -62.5 -54.9 23.8 -16.6 56.7 64 64 A D H >> S+ 0 0 34 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.843 100.7 63.4 -61.5 -33.2 23.5 -18.0 53.2 65 65 A c H 3X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.3 3,-0.5 0.922 103.8 47.7 -51.0 -48.9 19.8 -17.0 53.1 66 66 A A H << S+ 0 0 4 -4,-0.9 -1,-0.3 -3,-0.7 -64,-0.2 0.687 115.1 47.2 -67.7 -22.6 21.0 -13.4 53.4 67 67 A E H << S+ 0 0 108 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.610 120.2 36.0 -92.1 -16.9 23.5 -14.1 50.6 68 68 A K H < S+ 0 0 62 -4,-1.7 2,-0.2 -3,-0.5 -2,-0.2 0.747 106.5 63.8-110.9 -25.3 21.1 -15.8 48.3 69 69 A b < - 0 0 0 -4,-2.8 -67,-2.1 -5,-0.3 2,-0.3 -0.599 53.5-165.7 -98.0 158.9 17.8 -14.1 48.6 70 70 A M E -aB 2 42A 23 -28,-0.9 -28,-2.1 -2,-0.2 -67,-0.2 -0.998 15.7-137.5-134.6 143.7 16.6 -10.6 47.8 71 71 A I E -aB 3 41A 4 -69,-1.5 -67,-2.0 -2,-0.3 -30,-0.3 -0.510 29.9-141.5 -86.2 168.4 13.3 -8.9 48.9 72 72 A E - 0 0 3 -32,-1.4 -1,-0.1 -2,-0.2 2,-0.0 -0.681 18.3 -81.3-126.4-177.6 11.4 -6.8 46.3 73 73 A G - 0 0 0 -66,-1.5 -33,-0.4 -2,-0.2 1319,-0.2 -0.343 42.1-124.3 -67.9 161.0 9.4 -3.7 45.6 74 74 A A - 0 0 1 1,-0.3 2,-0.5 -35,-0.1 6,-0.4 0.193 31.0-136.4 -98.1 13.8 5.7 -4.1 46.5 75 75 A G S S- 0 0 5 -67,-0.6 2,-0.5 4,-0.1 -65,-0.3 -0.570 71.9 -3.5 72.3-122.6 4.2 -3.2 43.1 76 76 A D >> - 0 0 6 -2,-0.5 4,-1.1 1296,-0.1 5,-0.6 -0.940 65.7-139.6-113.1 124.1 1.3 -0.8 43.6 77 77 A Y T 45S+ 0 0 7 -2,-0.5 6,-2.2 1,-0.3 -1,-0.1 0.599 102.9 46.4 -70.4 -9.2 0.4 -0.0 47.2 78 78 A L T >5S+ 0 0 21 4,-0.2 4,-1.7 3,-0.2 -1,-0.3 0.866 107.4 61.4 -86.7 -42.2 -3.4 -0.2 46.6 79 79 A G T 45S+ 0 0 15 1,-0.2 -2,-0.2 2,-0.2 1289,-0.1 0.940 125.1 4.3 -45.2 -80.6 -3.1 -3.4 44.6 80 80 A T T <5S+ 0 0 14 -4,-1.1 -1,-0.2 -6,-0.4 23,-0.2 0.712 140.1 37.3 -84.6 -17.4 -1.7 -6.0 47.0 81 81 A Y T 4 -F 89 0B 88 3,-1.7 3,-1.3 -2,-0.4 2,-0.5 -0.840 67.0 -49.2-148.1 108.4 -3.3 11.6 49.0 87 87 A G T 3 S- 0 0 48 -2,-0.3 -72,-2.5 1,-0.3 330,-0.0 -0.491 123.5 -15.8 69.1-114.5 -1.5 14.7 50.3 88 88 A D T 3 S+ 0 0 51 -2,-0.5 2,-0.4 -74,-0.2 -1,-0.3 0.816 116.0 98.8 -89.8 -28.7 -0.9 14.4 54.0 89 89 A A E < -F 86 0B 20 -3,-1.3 -3,-1.7 328,-0.1 2,-0.5 -0.454 53.1-163.6 -73.4 111.5 -3.4 11.5 54.5 90 90 A L E -FG 85 416B 3 326,-1.1 326,-2.9 -2,-0.4 2,-0.2 -0.831 9.8-165.1 -92.0 129.6 -2.3 7.9 54.7 91 91 A T E - G 0 415B 26 -7,-3.5 -7,-0.4 -2,-0.5 2,-0.3 -0.670 3.7-167.1-102.5 158.6 -5.1 5.3 54.2 92 92 A L E - G 0 414B 0 322,-0.8 322,-1.5 -2,-0.2 2,-0.6 -0.843 10.3-150.3-153.4 115.9 -4.8 1.7 55.1 93 93 A K E - G 0 413B 31 -11,-0.8 320,-0.3 -2,-0.3 12,-0.2 -0.823 11.9-145.6 -91.5 116.9 -7.3 -1.1 54.0 94 94 A F S S+ 0 0 0 318,-4.2 11,-3.1 -2,-0.6 2,-0.5 0.922 83.3 20.1 -43.8 -76.7 -7.4 -3.9 56.5 95 95 A V E S-T 104 0E 8 315,-2.3 2,-0.5 317,-0.3 9,-0.2 -0.833 74.7-161.7 -99.4 131.7 -8.0 -6.9 54.2 96 96 A T E -T 103 0E 8 7,-3.9 7,-2.0 -2,-0.5 2,-0.5 -0.961 4.3-161.1-118.3 132.1 -7.1 -6.5 50.6 97 97 A K E +T 102 0E 35 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.957 22.7 165.8-104.7 120.2 -8.5 -8.8 47.9 98 98 A H E > -T 101 0E 24 3,-2.5 3,-3.0 -2,-0.5 -18,-0.1 -0.864 54.1 -90.1-131.9 162.4 -6.4 -8.7 44.7 99 99 A E T 3 S+ 0 0 52 1,-0.3 1242,-0.1 -2,-0.3 3,-0.1 0.748 127.3 32.3 -48.2 -32.7 -6.2 -10.9 41.5 100 100 A Y T 3 S- 0 0 80 1,-0.2 -1,-0.3 1294,-0.0 2,-0.2 0.016 123.6 -28.2-115.1 30.3 -3.5 -13.0 43.2 101 101 A G E < -T 98 0E 32 -3,-3.0 -3,-2.5 2,-0.0 2,-0.5 -0.753 52.0 -89.7 151.0 166.5 -4.4 -12.9 47.0 102 102 A T E -T 97 0E 73 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.953 36.2-174.8-109.3 107.2 -5.8 -11.7 50.3 103 103 A N E -T 96 0E 20 -7,-2.0 -7,-3.9 -2,-0.5 2,-0.4 -0.766 7.7-157.2-102.4 153.1 -3.4 -9.5 52.4 104 104 A V E -T 95 0E 32 -2,-0.3 -9,-0.2 1,-0.3 263,-0.2 -0.975 48.3 -14.0-141.6 126.7 -4.3 -8.3 55.9 105 105 A G - 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