==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-07 2RFZ . 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) . 62076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1094 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 442 25.7 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 . 4 0.2 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 . 177 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 2 4 2 1 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 . 4 10 2 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 . 31 26 8 18 6 6 10 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 . 21 3 3 1 1 2 1 1 3 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 1 A X 0 0 4 0, 0.0 162,-0.5 0, 0.0 161,-0.2 0.000 360.0 360.0 360.0 121.6 19.1 -10.3 52.3 2 2 A R E -a 70 0A 94 67,-1.0 69,-2.5 64,-1.0 2,-0.4 0.034 360.0 -93.0 -67.2-179.0 19.8 -8.5 49.0 3 3 A A E -a 71 0A 24 67,-0.3 2,-0.3 159,-0.2 69,-0.2 -0.839 26.9-136.3-104.1 143.4 17.1 -7.0 46.9 4 4 A G E -a 72 0A 0 67,-2.9 69,-0.5 -2,-0.4 3,-0.4 -0.723 5.6-152.4 -91.5 140.5 15.3 -8.7 44.0 5 5 A N S S+ 0 0 127 -2,-0.3 1385,-0.2 1,-0.2 -1,-0.1 0.286 73.2 95.4-106.0 12.2 14.7 -6.7 40.8 6 6 A E S S+ 0 0 50 1,-0.2 1384,-0.5 1383,-0.1 -1,-0.2 0.817 97.0 36.6 -68.1 -23.1 11.6 -8.4 39.4 7 7 A T S S- 0 0 2 -3,-0.4 66,-2.3 1384,-0.1 -1,-0.2 -0.953 79.7-140.8-133.4 124.0 9.8 -5.6 41.2 8 8 A P - 0 0 83 0, 0.0 67,-0.6 0, 0.0 2,-0.6 -0.350 25.7-119.1 -68.7 156.4 10.7 -2.0 41.6 9 9 A E - 0 0 31 64,-0.2 2,-0.5 65,-0.1 64,-0.1 -0.897 29.6-177.6-105.3 116.4 10.0 -0.3 45.0 10 10 A N - 0 0 53 -2,-0.6 67,-0.2 65,-0.3 1362,-0.1 -0.860 11.3-156.7-123.2 100.2 7.6 2.7 44.9 11 11 A H - 0 0 31 -2,-0.5 22,-0.1 1,-0.1 3,-0.1 -0.609 19.4-129.6 -75.8 111.4 7.0 4.5 48.2 12 12 A P - 0 0 20 0, 0.0 20,-1.5 0, 0.0 2,-0.3 -0.289 32.2-112.2 -52.0 138.4 3.7 6.4 48.3 13 13 A P B -D 31 0B 83 0, 0.0 2,-0.4 0, 0.0 18,-0.4 -0.610 31.6-167.8 -80.0 135.2 4.4 9.9 49.5 14 14 A L - 0 0 2 16,-0.5 74,-0.2 -2,-0.3 17,-0.1 -0.830 9.6-148.6-132.7 103.0 3.0 10.9 52.9 15 15 A T + 0 0 29 72,-2.2 404,-0.5 -2,-0.4 2,-0.3 -0.338 24.4 165.1 -65.2 129.5 3.0 14.6 53.9 16 16 A W E -Ef 28 419C 5 12,-1.2 12,-1.1 -2,-0.1 2,-0.4 -0.805 28.5-117.8-130.1-179.0 3.3 15.3 57.6 17 17 A Q E -Ef 27 420C 36 402,-1.0 404,-2.8 -2,-0.3 2,-0.4 -0.955 5.8-151.9-142.4 125.1 4.2 18.6 59.3 18 18 A R E - f 0 421C 108 8,-2.3 8,-0.5 -2,-0.4 404,-0.2 -0.699 28.4-160.5 -72.4 114.3 7.0 19.8 61.6 19 19 A a - 0 0 5 402,-4.1 6,-0.3 -2,-0.4 408,-0.1 -0.630 25.9-178.1-101.9 162.1 5.7 22.5 63.9 20 20 A T S S- 0 0 61 4,-1.5 5,-0.2 1,-0.7 -1,-0.1 0.618 74.3 -9.2-117.9 -43.0 7.4 25.2 65.8 21 21 A A B > S-N 24 0D 8 3,-1.3 -1,-0.7 405,-0.2 3,-0.6 -0.907 94.3 -61.7-148.2 164.6 4.6 27.0 67.7 22 22 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 405,-0.1 0.056 116.0 15.1 -52.6 165.9 0.7 26.9 67.4 23 23 A G T 3 S+ 0 0 74 403,-0.1 2,-0.2 404,-0.0 404,-0.1 0.742 120.9 72.2 39.0 38.7 -1.2 27.8 64.3 24 24 A N B < +N 21 0D 80 -3,-0.6 -4,-1.5 402,-0.5 -3,-1.3 -0.660 51.5 132.2 179.4 114.5 2.1 27.6 62.4 25 25 A a - 0 0 48 -6,-0.3 -6,-0.3 -2,-0.2 2,-0.2 -0.271 46.3-103.4-133.7-137.1 4.3 24.6 61.4 26 26 A Q - 0 0 132 -8,-0.5 -8,-2.3 -2,-0.1 -2,-0.0 -0.786 26.7-124.9-168.2 122.8 6.0 23.3 58.3 27 27 A T E -E 17 0C 77 -10,-0.3 -9,-0.4 -2,-0.2 2,-0.2 0.118 18.8-144.5 -57.8 179.7 5.0 20.5 56.0 28 28 A V E -E 16 0C 15 -12,-1.1 2,-1.8 -11,-0.1 -12,-1.2 -0.745 8.2-140.1-153.5 99.6 7.3 17.6 55.3 29 29 A N + 0 0 154 -2,-0.2 2,-0.2 -14,-0.2 -14,-0.1 -0.414 45.8 159.0 -72.2 97.2 7.4 15.9 51.9 30 30 A A - 0 0 9 -2,-1.8 -16,-0.5 -16,-0.1 2,-0.2 -0.465 29.7-149.3-106.9 179.5 7.7 12.4 53.1 31 31 A E B -D 13 0B 38 -18,-0.4 80,-1.6 80,-0.3 2,-0.3 -0.701 15.8-123.9-133.6-175.6 7.1 9.0 51.6 32 32 A V E -O 110 0E 0 -20,-1.5 2,-0.4 -2,-0.2 78,-0.2 -0.994 13.9-162.5-141.0 152.4 6.0 5.6 53.1 33 33 A V E -O 109 0E 0 76,-1.3 76,-2.9 -2,-0.3 2,-0.3 -0.984 17.6-128.7-134.5 143.0 7.3 2.1 53.1 34 34 A I E -O 108 0E 1 -2,-0.4 74,-0.2 74,-0.2 5,-0.1 -0.692 40.3 -95.4 -87.7 136.8 5.7 -1.3 53.9 35 35 A D > - 0 0 3 72,-1.9 3,-1.1 -2,-0.3 134,-0.2 -0.244 35.2-116.0 -51.9 144.9 7.4 -3.6 56.4 36 36 A A T 3 S+ 0 0 21 132,-2.8 3,-0.5 1,-0.2 -1,-0.1 0.305 102.2 79.2 -67.1 -2.9 9.6 -6.2 54.8 37 37 A N T 3 S+ 0 0 25 1,-0.2 -1,-0.2 131,-0.2 -2,-0.1 0.617 89.2 56.2 -85.3 -6.2 7.6 -9.2 55.9 38 38 A W S < S+ 0 0 45 -3,-1.1 -1,-0.2 69,-0.1 -2,-0.2 0.550 91.0 88.2-102.2 -5.6 5.0 -8.7 53.2 39 39 A R S S- 0 0 6 -3,-0.5 2,-0.4 128,-0.1 34,-0.1 -0.241 82.2 -92.4 -88.7 177.6 7.4 -8.8 50.2 40 40 A W - 0 0 64 33,-0.3 32,-1.0 32,-0.1 2,-0.4 -0.779 29.3-158.8 -97.8 137.8 8.6 -11.7 48.1 41 41 A L E +B 71 0A 6 -2,-0.4 8,-1.9 9,-0.4 9,-0.7 -0.937 29.5 134.8-110.1 129.6 11.7 -13.7 48.7 42 42 A H E -BC 70 48A 6 28,-1.2 28,-1.0 -2,-0.4 6,-0.2 -0.864 42.4-109.6-153.4-173.2 13.4 -15.8 46.0 43 43 A D > - 0 0 23 4,-0.8 3,-1.3 -2,-0.2 4,-0.2 -0.577 48.7 -78.9-117.0-170.8 16.7 -16.6 44.4 44 44 A D T 3 S+ 0 0 97 24,-0.4 2,-0.7 1,-0.3 25,-0.0 0.943 127.2 49.8 -54.4 -56.1 18.3 -15.8 41.0 45 45 A N T 3 S- 0 0 138 1,-0.1 -1,-0.3 2,-0.1 0, 0.0 -0.003 120.3-107.9 -82.7 36.0 16.4 -18.4 39.0 46 46 A M < + 0 0 79 -3,-1.3 2,-0.1 -2,-0.7 -2,-0.1 0.828 68.7 113.1 42.3 126.3 13.1 -17.2 40.5 47 47 A Q - 0 0 113 -4,-0.2 -4,-0.8 3,-0.0 -1,-0.1 -0.357 67.1 -68.2 145.2 139.9 11.1 -19.1 43.1 48 48 A N B -C 42 0A 6 -6,-0.2 10,-0.4 1,-0.1 -6,-0.3 0.079 20.0-169.7 -48.6 133.6 10.3 -18.7 46.8 49 49 A b S S+ 0 0 0 -8,-1.9 7,-2.0 1,-0.4 2,-0.2 0.477 98.8 23.6 -90.3 -12.2 12.9 -18.8 49.5 50 50 A Y E S-T 55 0F 13 -9,-0.7 -9,-0.4 5,-0.3 2,-0.4 -0.842 73.8-178.7-158.8 110.1 9.7 -18.8 51.6 51 51 A D E > -T 54 0F 76 3,-1.7 3,-1.7 -2,-0.2 -11,-0.0 -0.931 63.4 -33.1-109.7 138.7 6.2 -19.8 50.3 52 52 A G T 3 S- 0 0 35 -2,-0.4 148,-0.1 1,-0.3 0, 0.0 -0.193 123.4 -27.0 51.0-135.3 3.2 -19.6 52.6 53 53 A N T 3 S+ 0 0 45 146,-0.2 2,-0.4 142,-0.1 -1,-0.3 0.471 126.8 74.5 -89.1 -2.8 4.1 -20.2 56.2 54 54 A Q E < S-T 51 0F 122 -3,-1.7 -3,-1.7 145,-0.2 139,-0.1 -0.898 75.4-125.1-119.9 148.0 7.1 -22.4 55.3 55 55 A W E -T 50 0F 27 -2,-0.4 -5,-0.3 -5,-0.3 2,-0.2 -0.104 35.1-111.4 -70.8 172.4 10.6 -21.8 54.0 56 56 A T > - 0 0 25 -7,-2.0 3,-1.3 1,-0.1 -1,-0.1 -0.648 16.6-113.6-115.2 167.4 11.8 -23.5 50.9 57 57 A N T 3 S+ 0 0 174 1,-0.3 -1,-0.1 -2,-0.2 -8,-0.1 0.849 112.4 74.1 -64.4 -28.4 14.4 -26.1 49.9 58 58 A A T 3 S+ 0 0 37 -10,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.824 95.9 60.4 -48.6 -35.4 16.2 -23.3 48.1 59 59 A c < + 0 0 9 -3,-1.3 6,-0.1 -10,-0.2 3,-0.1 -0.658 51.2 162.9 -98.3 152.0 17.2 -22.1 51.6 60 60 A S + 0 0 76 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.536 57.8 9.2-136.9 -34.9 19.2 -23.9 54.3 61 61 A T S > S- 0 0 42 1,-0.1 4,-1.3 129,-0.1 -1,-0.4 -0.979 70.9 -96.1-156.0 166.8 20.5 -21.5 57.0 62 62 A A T 4 S+ 0 0 6 -2,-0.3 125,-3.0 1,-0.2 4,-0.3 0.799 120.8 35.9 -47.0 -41.1 20.6 -18.1 58.6 63 63 A T T >> S+ 0 0 74 123,-0.2 3,-1.8 2,-0.2 4,-1.2 0.955 116.4 46.3 -84.1 -58.2 23.6 -17.1 56.6 64 64 A D T 34 S+ 0 0 56 1,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.508 105.1 65.3 -71.6 -1.6 23.3 -18.7 53.2 65 65 A c T 3X S+ 0 0 0 -4,-1.3 4,-1.3 3,-0.2 -1,-0.3 0.707 103.6 46.0 -86.7 -21.9 19.7 -17.5 53.1 66 66 A A T <4 S+ 0 0 3 -3,-1.8 -64,-1.0 -4,-0.3 -2,-0.2 0.716 114.9 44.9 -90.3 -29.8 20.9 -13.8 53.0 67 67 A E T < S+ 0 0 130 -4,-1.2 -1,-0.2 -66,-0.1 -2,-0.1 0.395 122.8 38.1 -90.6 -0.9 23.6 -14.3 50.4 68 68 A K T 4 S+ 0 0 80 -5,-0.2 -24,-0.4 -4,-0.1 -2,-0.2 0.732 111.3 52.1-119.0 -41.5 21.2 -16.4 48.2 69 69 A b < - 0 0 0 -4,-1.3 -67,-1.0 -26,-0.1 2,-0.3 -0.315 59.1-168.8 -93.1 177.0 17.8 -14.8 48.5 70 70 A M E -aB 2 42A 25 -28,-1.0 -28,-1.2 -69,-0.2 -67,-0.3 -0.978 18.4-116.7-158.3 160.3 16.6 -11.2 48.0 71 71 A I E -aB 3 41A 7 -69,-2.5 -67,-2.9 -2,-0.3 2,-0.2 -0.801 26.8-137.3-115.0 159.0 13.5 -9.1 48.6 72 72 A E E -a 4 0A 4 -32,-1.0 -32,-0.1 -2,-0.3 -67,-0.1 -0.683 21.0 -95.5-118.3 154.7 11.3 -7.4 46.1 73 73 A G - 0 0 0 -66,-2.3 1319,-0.3 -69,-0.5 -33,-0.3 -0.249 47.2-110.8 -59.5 160.3 9.4 -4.1 45.5 74 74 A A - 0 0 0 1,-0.3 6,-0.1 1317,-0.1 -1,-0.1 0.230 35.1-137.6 -82.8 14.4 5.8 -4.4 46.6 75 75 A G S S- 0 0 3 -67,-0.6 2,-0.8 1315,-0.1 -65,-0.3 -0.369 74.4 -9.0 61.4-149.7 4.0 -4.3 43.2 76 76 A D > - 0 0 5 1,-0.2 4,-2.2 1296,-0.1 5,-0.5 -0.699 65.4-155.3 -85.3 113.7 0.9 -2.0 43.4 77 77 A Y T 4 S+ 0 0 9 -2,-0.8 6,-3.4 1,-0.2 4,-0.5 0.716 90.4 52.9 -60.6 -18.8 0.5 -1.1 47.0 78 78 A L T > S+ 0 0 18 4,-0.2 4,-0.9 3,-0.2 -1,-0.2 0.910 115.8 31.7 -84.7 -46.8 -3.2 -0.5 46.4 79 79 A G T 4 S+ 0 0 13 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.709 126.2 40.5 -87.2 -24.9 -4.3 -3.7 44.7 80 80 A T T < S+ 0 0 15 -4,-2.2 23,-0.3 -6,-0.1 -3,-0.2 0.690 134.7 10.8 -97.3 -25.9 -2.0 -6.1 46.4 81 81 A Y T 4 S- 0 0 11 -5,-0.5 12,-0.4 -4,-0.5 -3,-0.2 0.290 93.6-108.7-142.3 10.8 -2.1 -4.7 50.0 82 82 A G < + 0 0 0 -4,-0.9 11,-0.4 1,-0.2 2,-0.3 0.650 66.5 154.2 68.0 10.8 -4.8 -2.1 50.4 83 83 A A + 0 0 3 -6,-3.4 -1,-0.2 9,-0.2 2,-0.2 -0.613 8.7 154.0 -78.8 131.5 -2.1 0.5 50.6 84 84 A S E -G 91 0C 36 7,-1.6 7,-3.6 -2,-0.3 2,-0.3 -0.716 20.2-174.5-173.0 114.1 -3.2 4.0 49.6 85 85 A T E -G 90 0C 31 5,-0.3 5,-0.3 -2,-0.2 2,-0.2 -0.732 3.5-170.5 -99.5 143.2 -2.0 7.5 50.4 86 86 A S E > -G 89 0C 90 3,-3.3 2,-1.4 -2,-0.3 3,-1.4 -0.671 64.5 -65.1-142.4 78.2 -3.7 10.7 49.3 87 87 A G T 3 S- 0 0 52 -74,-0.3 -72,-2.2 1,-0.3 -2,-0.0 -0.669 127.7 -3.1 80.0 -95.6 -1.5 13.7 50.1 88 88 A D T 3 S+ 0 0 51 -2,-1.4 2,-0.6 -74,-0.2 -1,-0.3 0.523 118.7 88.4-104.1 -21.4 -1.6 13.6 53.9 89 89 A A E < -G 86 0C 16 -3,-1.4 -3,-3.3 328,-0.2 2,-0.6 -0.796 52.6-169.1 -90.7 125.1 -3.9 10.6 54.3 90 90 A L E -GH 85 416C 0 326,-2.8 326,-2.3 -2,-0.6 -5,-0.3 -0.957 11.7-165.2-103.3 101.2 -2.5 7.1 54.4 91 91 A T E -GH 84 415C 31 -7,-3.6 -7,-1.6 -2,-0.6 2,-0.3 -0.567 2.2-166.5 -78.0 153.3 -5.5 4.6 54.1 92 92 A L E - 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