==== 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 2RFY . 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) . 62679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1067 62.0 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 . 446 25.9 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 . 155 9.0 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 . 133 7.7 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 8 5 0 4 4 2 1 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 11 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 0 PARALLEL BRIDGES PER LADDER . 29 19 8 19 5 5 10 5 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 1 0 0 1 0 0 0 0 0 0 2 1 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 4 0, 0.0 161,-2.3 0, 0.0 163,-0.2 0.000 360.0 360.0 360.0 148.9 19.8 -9.5 52.4 2 2 A R E -a 70 0A 94 67,-1.4 69,-2.3 64,-0.7 2,-0.3 -0.458 360.0-105.1 -84.3 160.9 20.0 -8.2 48.9 3 3 A A E -a 71 0A 29 159,-0.4 69,-0.2 67,-0.3 -1,-0.1 -0.679 35.1-118.6 -86.7 139.8 17.5 -6.1 47.1 4 4 A G - 0 0 5 67,-3.6 67,-0.1 -2,-0.3 -1,-0.1 0.023 15.1-162.3 -70.8 172.3 15.2 -7.6 44.4 5 5 A N S S+ 0 0 131 65,-0.1 1385,-0.1 3,-0.1 -1,-0.1 0.538 74.1 80.4-140.5 -16.1 15.1 -6.7 40.7 6 6 A E S S+ 0 0 48 1,-0.2 1384,-0.2 1383,-0.1 66,-0.1 0.513 106.0 29.2 -68.3 -11.0 11.8 -8.1 39.4 7 7 A T S S- 0 0 3 1382,-0.1 66,-1.9 1384,-0.1 -1,-0.2 -0.614 79.2-138.4-160.4 98.6 9.9 -5.2 41.0 8 8 A P - 0 0 84 0, 0.0 2,-0.6 0, 0.0 67,-0.4 -0.069 26.9-116.7 -47.6 148.9 11.2 -1.6 41.5 9 9 A E - 0 0 27 64,-0.2 2,-0.5 65,-0.1 64,-0.0 -0.773 30.3-178.7 -98.2 125.0 10.4 0.1 44.8 10 10 A N - 0 0 73 -2,-0.6 64,-0.1 65,-0.2 1362,-0.1 -0.893 15.7-148.6-126.2 109.5 8.2 3.3 44.7 11 11 A H - 0 0 21 -2,-0.5 22,-0.2 1,-0.1 -2,-0.0 -0.591 21.3-118.5 -75.0 126.0 7.5 5.0 48.0 12 12 A P - 0 0 20 0, 0.0 20,-0.8 0, 0.0 2,-0.6 -0.460 32.7-117.0 -64.6 129.6 4.1 6.8 48.2 13 13 A P E -D 31 0B 93 0, 0.0 2,-0.3 0, 0.0 18,-0.2 -0.643 37.7-179.4 -85.7 117.1 4.7 10.5 48.9 14 14 A L E -D 30 0B 3 -2,-0.6 16,-0.6 16,-0.5 2,-0.4 -0.870 15.8-144.5-117.3 137.8 3.3 11.8 52.2 15 15 A T E +D 29 0B 40 72,-2.0 404,-0.4 -2,-0.3 2,-0.3 -0.863 23.1 161.8-110.1 145.3 3.3 15.3 53.8 16 16 A W E -D 28 0B 12 12,-1.2 12,-1.8 -2,-0.4 2,-0.4 -0.899 30.1-117.4-145.2 163.2 3.7 16.1 57.5 17 17 A Q E -e 420 0C 45 402,-2.2 404,-2.6 -2,-0.3 2,-0.7 -0.943 4.1-148.4-129.8 137.3 4.6 19.4 59.2 18 18 A R E -e 421 0C 130 -2,-0.4 404,-0.2 402,-0.2 2,-0.2 -0.807 29.6-163.9 -86.3 106.8 7.4 20.7 61.4 19 19 A a + 0 0 6 402,-4.6 6,-0.3 -2,-0.7 408,-0.1 -0.596 28.6 173.2 -95.7 156.5 5.9 23.4 63.7 20 20 A T S S+ 0 0 59 4,-3.3 -1,-0.1 1,-0.5 5,-0.1 0.680 77.4 18.4-116.1 -41.5 7.7 26.0 65.8 21 21 A A B > S-M 24 0D 3 3,-0.7 3,-2.7 405,-0.1 2,-2.4 -0.847 101.1 -78.6-127.4 156.4 4.6 27.9 67.0 22 22 A P T 3 S+ 0 0 61 0, 0.0 405,-0.2 0, 0.0 407,-0.1 -0.258 130.0 9.6 -63.2 79.8 0.9 27.1 67.2 23 23 A G T 3 S+ 0 0 63 -2,-2.4 2,-0.2 403,-0.8 404,-0.1 0.648 103.6 110.4 110.0 35.9 0.2 27.7 63.6 24 24 A N B < +M 21 0D 44 -3,-2.7 -4,-3.3 402,-0.5 -3,-0.7 -0.722 49.1 104.5-134.5 79.6 3.8 28.0 62.5 25 25 A a - 0 0 33 -6,-0.3 2,-0.2 -2,-0.2 -6,-0.2 -0.721 39.1-179.9-141.7-169.0 4.4 24.9 60.5 26 26 A Q - 0 0 152 -2,-0.2 2,-0.7 2,-0.0 -7,-0.0 -0.842 34.2 -39.0-169.9-151.8 4.8 23.9 56.9 27 27 A T + 0 0 96 -2,-0.2 2,-0.6 -10,-0.1 -10,-0.2 -0.826 34.2 173.2-109.6 113.9 5.4 21.3 54.2 28 28 A V E -D 16 0B 24 -12,-1.8 2,-1.3 -2,-0.7 -12,-1.2 -0.964 20.4-154.1-110.9 119.4 7.9 18.4 54.5 29 29 A N E +D 15 0B 120 -2,-0.6 -14,-0.2 -14,-0.2 84,-0.1 -0.410 36.7 146.4 -98.0 65.4 7.5 16.1 51.5 30 30 A A E -D 14 0B 7 -2,-1.3 -16,-0.5 -16,-0.6 2,-0.2 0.342 32.2-139.2 -77.9-148.7 8.7 12.8 52.9 31 31 A E E -D 13 0B 31 80,-0.4 80,-2.6 -18,-0.2 2,-0.3 -0.879 3.4-119.7-157.6-168.8 7.4 9.3 52.0 32 32 A V B -N 110 0E 0 -20,-0.8 2,-0.3 -2,-0.2 78,-0.2 -1.000 14.5-172.5-146.9 150.6 6.4 5.9 53.3 33 33 A V - 0 0 0 76,-1.0 76,-0.3 -2,-0.3 -22,-0.1 -0.941 23.6-123.2-148.2 125.0 7.5 2.3 52.8 34 34 A I - 0 0 0 -2,-0.3 74,-0.2 74,-0.2 5,-0.0 -0.153 44.2 -79.4 -69.1 158.2 5.9 -1.0 54.1 35 35 A D > - 0 0 0 72,-1.6 3,-0.8 1,-0.1 134,-0.2 -0.063 34.3-113.3 -62.6 157.7 7.8 -3.5 56.2 36 36 A A G > S+ 0 0 17 132,-1.4 3,-2.1 1,-0.3 36,-0.2 0.849 110.8 61.9 -55.0 -47.5 10.3 -6.1 55.0 37 37 A N G 3 S+ 0 0 17 1,-0.3 -1,-0.3 131,-0.2 4,-0.1 0.834 95.4 60.1 -55.0 -32.7 8.1 -9.1 55.8 38 38 A W G < S+ 0 0 48 -3,-0.8 2,-0.3 69,-0.1 -1,-0.3 0.499 94.9 98.2 -75.3 0.5 5.3 -8.0 53.5 39 39 A R S < S- 0 0 8 -3,-2.1 35,-0.1 128,-0.1 34,-0.1 -0.725 81.7-105.1-103.3 136.2 7.9 -8.2 50.7 40 40 A W - 0 0 45 33,-0.3 32,-2.3 -2,-0.3 2,-0.4 -0.379 33.1-168.2 -58.7 133.4 8.7 -10.9 48.1 41 41 A L E +B 71 0A 7 9,-0.3 8,-1.3 30,-0.3 9,-0.8 -0.993 23.8 135.6-127.8 121.1 11.9 -12.9 48.8 42 42 A H E -BC 70 48A 0 28,-1.2 28,-1.8 -2,-0.4 6,-0.2 -0.977 44.1-109.6-159.4 171.0 13.4 -15.2 46.2 43 43 A D - 0 0 18 4,-2.1 26,-0.1 -2,-0.3 27,-0.1 0.015 49.8 -80.7 -93.3-144.8 16.7 -16.1 44.6 44 44 A D S S+ 0 0 107 1,-0.2 -1,-0.1 24,-0.2 25,-0.1 0.350 131.8 53.2 -95.3 1.2 18.1 -15.4 41.2 45 45 A N S S- 0 0 130 2,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.407 113.8-122.7-112.9 -1.8 16.1 -18.3 39.7 46 46 A M + 0 0 61 1,-0.3 2,-0.1 -3,-0.0 3,-0.1 0.380 63.0 142.1 75.0 7.8 13.1 -16.7 41.2 47 47 A Q - 0 0 109 1,-0.1 -4,-2.1 -5,-0.1 -1,-0.3 -0.477 60.9-103.6 -60.8 140.8 12.0 -19.7 43.3 48 48 A N B -C 42 0A 32 -6,-0.2 -6,-0.3 -2,-0.1 3,-0.2 -0.039 22.7-161.0 -58.8 173.9 10.7 -18.3 46.6 49 49 A b S S+ 0 0 0 -8,-1.3 7,-2.4 1,-0.4 2,-0.4 0.336 91.0 40.8-125.5 -18.4 12.7 -18.5 49.8 50 50 A Y E S+O 55 0F 17 -9,-0.8 -1,-0.4 5,-0.3 2,-0.4 -0.994 71.0 172.3-128.9 123.2 9.5 -17.9 51.7 51 51 A D E > -O 54 0F 81 3,-3.0 3,-3.4 -2,-0.4 2,-0.5 -0.996 63.6 -36.2-131.3 137.0 6.3 -19.6 50.6 52 52 A G T 3 S- 0 0 39 -2,-0.4 3,-0.0 1,-0.3 -2,-0.0 -0.331 125.4 -32.8 53.8-103.0 3.0 -19.6 52.6 53 53 A N T 3 S+ 0 0 38 -2,-0.5 2,-0.4 2,-0.1 -1,-0.3 -0.092 125.3 84.4-134.3 32.7 4.4 -19.7 56.2 54 54 A Q E < S-O 51 0F 132 -3,-3.4 -3,-3.0 145,-0.1 135,-0.0 -0.994 74.3-124.9-137.5 132.9 7.4 -21.8 55.4 55 55 A W E -O 50 0F 21 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.1 -0.271 39.1-117.5 -59.3 162.1 10.9 -20.9 54.2 56 56 A T > - 0 0 21 -7,-2.4 3,-0.6 1,-0.1 -1,-0.1 -0.403 15.9-114.4 -94.8 179.3 11.9 -22.9 51.0 57 57 A N T 3 S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.1 -8,-0.1 0.226 107.8 89.1 -87.7 6.9 14.6 -25.4 50.4 58 58 A A T 3 S+ 0 0 8 -10,-0.1 -1,-0.2 -9,-0.0 2,-0.1 0.357 99.6 27.7 -74.8 -2.4 15.6 -22.6 48.1 59 59 A c < - 0 0 12 -3,-0.6 -9,-0.0 -10,-0.1 -11,-0.0 -0.319 59.9-177.8-133.6-153.6 17.5 -21.5 51.3 60 60 A S + 0 0 72 1,-0.4 2,-0.2 -2,-0.1 -1,-0.1 -0.055 54.2 28.2 172.7 -50.1 19.1 -23.2 54.4 61 61 A T S > S- 0 0 48 1,-0.1 4,-1.0 128,-0.1 -1,-0.4 -0.720 74.3 -98.6-130.0-179.7 20.6 -21.0 57.1 62 62 A A T 4 S+ 0 0 9 -2,-0.2 125,-2.0 124,-0.2 4,-0.5 0.868 120.5 31.9 -53.7 -39.4 20.7 -17.6 58.9 63 63 A T T >> S+ 0 0 56 123,-0.2 4,-1.4 2,-0.2 3,-0.9 0.943 115.2 48.1 -92.8 -61.9 23.6 -16.5 56.7 64 64 A D H 3> S+ 0 0 47 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.878 107.0 61.6 -56.3 -37.0 23.5 -18.1 53.3 65 65 A c H 3X S+ 0 0 0 -4,-1.0 4,-2.1 1,-0.2 -1,-0.3 0.913 101.2 52.6 -51.2 -44.9 19.8 -17.0 53.0 66 66 A A H <4 S+ 0 0 3 -3,-0.9 -64,-0.7 -4,-0.5 -1,-0.2 0.841 113.3 44.7 -63.7 -34.9 20.9 -13.4 53.4 67 67 A E H < S+ 0 0 115 -4,-1.4 -65,-0.2 -3,-0.3 -2,-0.2 0.992 119.5 35.6 -68.7 -60.5 23.4 -13.8 50.5 68 68 A K H < S+ 0 0 67 -4,-2.4 2,-0.3 -67,-0.1 -2,-0.2 0.587 106.8 67.9 -79.8 -20.3 21.3 -15.7 47.9 69 69 A b < - 0 0 0 -4,-2.1 -67,-1.4 -5,-0.3 2,-0.4 -0.707 60.2-161.5-102.8 157.7 17.8 -14.2 48.4 70 70 A M E -aB 2 42A 18 -28,-1.8 -28,-1.2 -2,-0.3 -67,-0.3 -0.998 13.0-135.5-137.8 134.3 16.6 -10.7 47.7 71 71 A I E -aB 3 41A 5 -69,-2.3 -67,-3.6 -2,-0.4 -30,-0.3 -0.558 27.8-143.6 -86.0 153.7 13.5 -8.8 48.9 72 72 A E - 0 0 0 -32,-2.3 -1,-0.1 -2,-0.2 -32,-0.0 -0.620 16.8 -95.1-117.8 172.7 11.4 -6.8 46.4 73 73 A G - 0 0 0 -66,-1.9 -33,-0.3 -2,-0.2 -64,-0.2 -0.327 43.5-114.5 -69.5 169.2 9.4 -3.7 46.0 74 74 A A - 0 0 1 1,-0.3 7,-0.1 -35,-0.1 6,-0.1 0.164 33.8-140.7 -96.9 16.6 5.7 -4.1 46.6 75 75 A G S S+ 0 0 10 -67,-0.4 -1,-0.3 -68,-0.1 -65,-0.2 -0.250 75.7 7.5 56.6-155.7 4.4 -3.4 43.1 76 76 A D - 0 0 3 1293,-0.2 5,-0.2 1,-0.1 1316,-0.1 -0.091 69.6-150.5 -31.5 140.1 1.1 -1.4 43.3 77 77 A Y S S+ 0 0 9 3,-0.1 6,-3.0 6,-0.1 4,-0.3 0.529 90.6 42.8-103.6 -6.4 0.5 -0.3 46.9 78 78 A L S > S+ 0 0 22 4,-0.2 4,-1.3 3,-0.1 1290,-0.1 0.838 112.9 45.3-102.0 -44.5 -3.3 -0.3 46.5 79 79 A G T 4 S+ 0 0 11 1,-0.2 -2,-0.1 2,-0.1 1289,-0.1 0.773 125.2 33.7 -71.1 -17.8 -4.1 -3.4 44.6 80 80 A T T 4 S+ 0 0 9 3,-0.1 23,-0.4 -6,-0.1 -1,-0.2 0.899 136.8 10.6-103.2 -44.8 -1.8 -5.5 46.7 81 81 A Y T 4 S- 0 0 15 -4,-0.3 12,-0.4 -5,-0.2 -2,-0.1 0.078 90.6-118.2-126.7 23.0 -1.8 -4.2 50.2 82 82 A G < + 0 0 0 -4,-1.3 11,-1.0 1,-0.2 2,-0.6 0.733 56.9 156.7 49.6 28.8 -4.6 -1.7 50.3 83 83 A A E -F 92 0C 9 -6,-3.0 2,-0.5 9,-0.2 9,-0.2 -0.779 21.1-169.0 -88.9 124.4 -2.3 1.2 51.1 84 84 A S E -F 91 0C 25 7,-3.5 7,-4.6 -2,-0.6 2,-0.4 -0.950 5.0-174.0-118.2 119.5 -3.8 4.5 50.1 85 85 A T E +F 90 0C 49 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.923 12.2 158.8-117.0 138.2 -1.8 7.9 49.9 86 86 A S E > -F 89 0C 81 3,-3.6 3,-1.6 -2,-0.4 2,-0.2 -0.812 63.7 -59.0-158.5 117.6 -3.1 11.4 49.2 87 87 A G T 3 S- 0 0 45 1,-0.3 -72,-2.0 -2,-0.3 -1,-0.1 -0.239 123.4 -15.2 50.4-107.0 -1.4 14.6 50.2 88 88 A D T 3 S+ 0 0 58 -74,-0.2 -1,-0.3 -2,-0.2 331,-0.2 0.818 119.3 98.6 -84.5 -31.3 -1.2 14.4 54.0 89 89 A A E < -F 86 0C 24 -3,-1.6 -3,-3.6 328,-0.1 2,-0.4 -0.431 49.9-172.2 -76.8 133.6 -3.6 11.6 54.2 90 90 A L E -FG 85 416C 2 326,-4.5 326,-3.7 -5,-0.2 2,-0.4 -0.994 9.7-166.1-118.9 114.4 -2.4 8.0 54.6 91 91 A T E -FG 84 415C 23 -7,-4.6 -7,-3.5 -2,-0.4 2,-0.4 -0.892 6.3-162.5-116.1 142.4 -5.0 5.2 54.4 92 92 A L E -FG 83 414C 0 322,-3.1 322,-2.1 -2,-0.4 2,-0.5 -0.981 8.7-147.9-126.9 134.0 -4.8 1.5 55.3 93 93 A K E - 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