==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-11 2YLK . COMPND 2 MOLECULE: CELLULOSE 1,4-BETA-CELLOBIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR O.YANIV,S.PETKUN,L.J.W.SHIMON,E.A.BAYER,R.LAMED,F.FROLOW . 573 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 60.7 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 . 218 38.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0.3 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 . 55 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.9 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 . 2 12 4 7 6 4 6 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 . 8 0 0 6 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 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 0 A M 0 0 62 0, 0.0 2,-0.8 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0 134.9 -29.2 30.4 -26.5 2 1 A D + 0 0 75 29,-0.1 26,-1.4 2,-0.0 27,-0.9 -0.834 360.0 127.1-105.1 102.3 -31.6 33.4 -26.4 3 2 A V E -A 27 0A 4 -2,-0.8 2,-0.3 136,-0.3 24,-0.2 -0.978 30.0-176.0-147.9 147.3 -32.6 33.8 -22.8 4 3 A K E -A 26 0A 43 22,-2.1 22,-2.7 -2,-0.3 2,-0.4 -0.915 18.2-129.2-138.6 167.7 -32.5 36.8 -20.6 5 4 A V E -A 25 0A 0 -2,-0.3 122,-2.6 122,-0.3 2,-0.4 -0.968 11.0-156.1-121.6 139.1 -33.2 37.7 -17.1 6 5 A Q E -AB 24 126A 36 18,-2.7 18,-1.8 -2,-0.4 2,-0.3 -0.868 15.0-157.9-107.1 148.3 -35.4 40.5 -15.7 7 6 A Y E -AB 23 125A 2 118,-2.3 118,-1.6 -2,-0.4 2,-0.3 -0.899 13.5-172.4-129.6 150.6 -34.8 41.8 -12.2 8 7 A L E -A 22 0A 22 14,-1.6 14,-2.4 -2,-0.3 2,-0.7 -0.974 19.7-139.1-141.8 129.2 -36.9 43.7 -9.7 9 8 A C E +A 21 0A 5 112,-3.4 12,-0.2 -2,-0.3 3,-0.1 -0.823 25.5 169.3 -94.6 119.0 -35.5 45.1 -6.5 10 9 A E + 0 0 74 10,-1.6 2,-1.0 -2,-0.7 11,-0.2 0.899 68.7 47.9 -90.7 -57.4 -37.9 44.6 -3.5 11 10 A N + 0 0 32 9,-2.2 9,-0.4 1,-0.1 -1,-0.2 -0.768 60.6 170.4 -90.8 107.4 -35.8 45.5 -0.4 12 11 A T + 0 0 60 -2,-1.0 2,-0.4 -3,-0.1 -1,-0.1 0.337 34.3 122.1 -97.2 5.2 -34.1 48.8 -1.3 13 12 A Q - 0 0 109 1,-0.1 98,-0.2 98,-0.0 3,-0.1 -0.580 58.6-143.1 -75.9 125.3 -32.7 49.5 2.2 14 13 A T S S+ 0 0 77 -2,-0.4 97,-3.3 1,-0.2 2,-0.6 0.940 88.3 34.5 -56.2 -55.6 -29.0 49.9 2.1 15 14 A S E S+E 110 0B 62 95,-0.2 2,-0.3 96,-0.1 95,-0.2 -0.904 87.2 130.0-104.4 117.0 -28.2 48.2 5.4 16 15 A Q E -E 109 0B 3 93,-2.5 93,-2.6 -2,-0.6 3,-0.1 -0.973 64.2-110.4-158.5 176.9 -30.6 45.3 6.3 17 16 A Q S S+ 0 0 64 -2,-0.3 86,-0.5 91,-0.2 2,-0.3 0.495 97.5 42.3 -92.3 -7.9 -31.1 41.8 7.4 18 17 A E E - C 0 102A 41 84,-0.1 2,-0.4 91,-0.1 84,-0.2 -0.956 60.9-147.9-146.1 133.1 -32.4 40.5 4.0 19 18 A I E + C 0 101A 4 82,-2.3 82,-2.5 -2,-0.3 2,-0.3 -0.753 35.0 177.9 -79.5 134.0 -31.6 40.9 0.4 20 19 A K E + C 0 100A 35 -2,-0.4 -9,-2.2 -9,-0.4 -10,-1.6 -0.971 14.3 116.6-146.2 132.2 -35.0 40.6 -1.4 21 20 A G E -AC 9 99A 1 78,-2.3 78,-2.8 -2,-0.3 2,-0.4 -0.918 46.7-101.0-168.4-168.0 -36.0 40.9 -5.1 22 21 A K E -AC 8 98A 30 -14,-2.4 -14,-1.6 -2,-0.3 2,-0.3 -0.997 17.2-160.7-138.2 139.6 -37.4 39.0 -8.0 23 22 A F E -AC 7 97A 0 74,-2.5 74,-2.2 -2,-0.4 2,-0.3 -0.821 2.7-168.4-109.5 154.7 -36.0 37.4 -11.2 24 23 A N E -AC 6 96A 5 -18,-1.8 -18,-2.7 -2,-0.3 2,-0.5 -0.941 11.5-150.7-138.4 121.6 -38.0 36.6 -14.3 25 24 A I E -A 5 0A 0 70,-0.5 69,-2.6 -2,-0.3 2,-0.4 -0.833 16.3-166.9 -98.5 128.1 -36.4 34.3 -16.9 26 25 A V E -AC 4 93A 16 -22,-2.7 -22,-2.1 -2,-0.5 2,-0.8 -0.926 19.9-141.3-120.7 134.6 -37.4 35.0 -20.5 27 26 A N E +A 3 0A 2 65,-3.3 64,-0.3 -2,-0.4 -24,-0.3 -0.806 22.3 175.9 -92.2 110.8 -37.0 32.9 -23.7 28 27 A T + 0 0 75 -26,-1.4 -25,-0.2 -2,-0.8 -1,-0.1 0.376 52.8 70.4 -98.3 1.0 -36.2 35.4 -26.4 29 28 A G S S- 0 0 11 -27,-0.9 62,-0.4 2,-0.2 -2,-0.1 -0.295 88.2-101.3-109.7-168.1 -35.6 33.0 -29.3 30 29 A N S S+ 0 0 167 60,-0.1 2,-0.3 -2,-0.1 60,-0.2 0.400 89.5 82.1 -98.8 0.4 -37.4 30.5 -31.5 31 30 A R S S- 0 0 176 58,-0.1 2,-0.3 -29,-0.1 -2,-0.2 -0.825 76.1-119.1-110.8 147.1 -36.4 27.3 -29.7 32 31 A D - 0 0 110 -2,-0.3 2,-0.2 57,-0.1 -2,-0.1 -0.602 36.2-179.6 -77.1 142.6 -37.9 25.5 -26.6 33 32 A Y E -F 88 0C 35 55,-2.0 55,-2.3 -2,-0.3 2,-0.4 -0.733 22.4-127.3-128.6 179.7 -35.5 25.1 -23.7 34 33 A S E > -F 87 0C 6 53,-0.2 3,-1.6 -2,-0.2 4,-0.2 -0.991 17.6-131.1-130.7 142.6 -35.6 23.6 -20.2 35 34 A L G > S+ 0 0 1 51,-2.8 3,-1.4 -2,-0.4 48,-0.3 0.663 98.8 81.0 -65.5 -13.6 -34.5 25.4 -17.0 36 35 A K G 3 S+ 0 0 101 1,-0.3 -1,-0.3 50,-0.2 47,-0.2 0.815 92.7 49.2 -64.1 -26.8 -32.4 22.4 -16.1 37 36 A D G < S+ 0 0 40 -3,-1.6 98,-1.1 47,-0.1 2,-0.5 0.531 97.2 88.8 -86.8 -8.4 -29.8 23.7 -18.4 38 37 A I E < -G 134 0D 2 -3,-1.4 2,-0.5 -4,-0.2 45,-0.2 -0.810 52.6-169.8-101.7 127.5 -29.8 27.2 -17.0 39 38 A V E -G 133 0D 12 94,-2.8 94,-2.5 -2,-0.5 2,-0.4 -0.957 10.5-161.6-111.2 129.5 -27.7 28.5 -14.1 40 39 A L E -GH 132 81D 0 41,-2.6 41,-2.6 -2,-0.5 2,-0.4 -0.909 3.6-165.7-112.8 139.2 -28.5 31.9 -12.7 41 40 A R E -GH 131 80D 38 90,-2.3 90,-1.8 -2,-0.4 2,-0.5 -0.986 11.0-172.2-129.5 134.0 -26.2 34.0 -10.5 42 41 A Y E -GH 130 79D 1 37,-2.4 37,-2.5 -2,-0.4 2,-0.5 -0.995 25.7-139.0-119.3 121.9 -26.9 37.1 -8.4 43 42 A Y E + H 0 78D 3 86,-0.6 73,-2.5 -2,-0.5 74,-0.3 -0.707 35.2 143.9 -97.2 127.6 -23.7 38.7 -7.0 44 43 A F - 0 0 2 33,-1.5 2,-0.5 -2,-0.5 32,-0.1 -0.948 45.6-106.3-148.3 164.2 -23.3 40.1 -3.5 45 44 A T - 0 0 25 -2,-0.3 2,-0.8 65,-0.2 65,-0.1 -0.831 20.6-145.6-100.7 132.8 -20.5 40.3 -0.9 46 45 A K + 0 0 75 -2,-0.5 28,-0.2 1,-0.1 63,-0.0 -0.848 23.4 171.1 -95.1 108.0 -20.6 38.1 2.1 47 46 A E + 0 0 80 -2,-0.8 2,-0.3 63,-0.0 -1,-0.1 0.637 57.8 59.2 -94.8 -13.3 -19.1 40.1 5.0 48 47 A H S S- 0 0 75 2,-0.1 61,-0.0 1,-0.1 59,-0.0 -0.849 75.7-131.0-116.1 152.9 -19.9 37.7 7.9 49 48 A N + 0 0 167 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.576 69.6 120.0 -74.5 -10.4 -18.9 34.1 8.5 50 49 A S S S- 0 0 23 1,-0.1 -2,-0.1 53,-0.0 2,-0.0 -0.189 76.2 -98.1 -55.6 145.3 -22.5 33.2 9.3 51 50 A Q - 0 0 142 52,-0.1 53,-3.2 1,-0.1 54,-0.4 -0.364 41.4-127.5 -57.4 143.7 -24.2 30.5 7.2 52 51 A L E -D 103 0A 14 51,-0.2 2,-0.4 52,-0.1 51,-0.2 -0.705 17.9-153.3 -99.2 148.6 -26.4 32.1 4.5 53 52 A Q E -D 102 0A 38 49,-2.7 49,-2.2 -2,-0.3 2,-0.5 -0.980 3.4-157.2-122.6 137.3 -30.0 31.1 3.8 54 53 A F E -D 101 0A 36 -2,-0.4 2,-0.4 47,-0.2 47,-0.2 -0.953 14.3-177.7-108.0 132.7 -32.0 31.3 0.6 55 54 A I E -D 100 0A 19 45,-2.5 45,-1.7 -2,-0.5 2,-0.6 -0.996 15.1-158.8-130.5 128.9 -35.8 31.6 0.9 56 55 A C - 0 0 15 -2,-0.4 43,-0.1 43,-0.2 7,-0.1 -0.926 6.2-174.0-105.7 113.2 -38.3 31.6 -2.0 57 56 A Y 0 0 19 -2,-0.6 -1,-0.2 1,-0.3 6,-0.1 0.868 360.0 360.0 -73.0 -41.4 -41.6 33.1 -0.8 58 57 A Y 0 0 70 40,-0.1 40,-1.7 4,-0.1 -1,-0.3 -0.945 360.0 360.0-156.6 360.0 -43.5 32.5 -4.0 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 59 A P 0 0 65 0, 0.0 37,-0.1 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 -34.8 -45.4 30.1 -10.3 61 60 A I - 0 0 32 35,-0.4 36,-0.1 33,-0.1 34,-0.1 0.663 360.0-107.6 -70.9 -14.3 -42.9 27.5 -11.4 62 61 A G > - 0 0 12 2,-0.1 3,-1.6 1,-0.1 188,-0.1 0.470 15.2-114.4 90.4 136.0 -43.2 26.1 -7.9 63 62 A S G > S+ 0 0 33 1,-0.3 3,-1.9 186,-0.3 -1,-0.1 0.751 109.6 71.8 -78.1 -22.4 -40.5 26.5 -5.3 64 63 A G G 3 S+ 0 0 48 1,-0.3 -1,-0.3 185,-0.2 -2,-0.1 0.653 91.7 64.1 -61.2 -14.6 -39.7 22.8 -5.1 65 64 A N G < S+ 0 0 47 -3,-1.6 19,-1.6 18,-0.1 2,-0.3 0.406 83.1 94.2 -91.5 1.4 -38.2 23.3 -8.6 66 65 A L E < -I 83 0D 13 -3,-1.9 17,-0.2 17,-0.2 15,-0.1 -0.741 54.2-165.4 -92.9 143.3 -35.5 25.7 -7.4 67 66 A I E -I 82 0D 25 15,-2.4 15,-1.7 -2,-0.3 2,-0.2 -0.818 21.4-173.4-126.8 83.9 -32.0 24.3 -6.6 68 67 A P E +I 81 0D 56 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.510 13.3 152.2 -80.7 150.0 -30.3 27.2 -4.6 69 68 A S E -I 80 0D 46 11,-2.0 11,-2.9 -2,-0.2 2,-0.3 -0.954 32.1-125.7-157.3 175.8 -26.7 27.4 -3.4 70 69 A F E +I 79 0D 57 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.885 34.5 150.6-124.3 159.8 -24.0 30.0 -2.6 71 70 A G E +I 78 0D 18 7,-1.8 7,-2.5 -2,-0.3 5,-0.1 -0.969 21.6 61.3-169.6 177.8 -20.5 30.3 -4.0 72 71 A G S S- 0 0 44 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 0.006 71.6 -86.6 80.8 174.1 -17.5 32.4 -4.9 73 72 A S S S- 0 0 103 4,-0.1 3,-0.1 -28,-0.0 -1,-0.1 -0.963 75.5 -49.9-128.8 117.0 -15.3 34.7 -2.8 74 73 A G S S+ 0 0 53 -2,-0.4 -29,-0.1 1,-0.3 -2,-0.1 0.147 128.5 7.4 -54.3 136.5 -16.5 38.3 -2.4 75 74 A D S S+ 0 0 36 2,-0.1 -1,-0.3 -31,-0.1 -30,-0.1 -0.266 127.1 58.0-107.5 88.9 -17.3 39.8 -4.5 76 75 A E S S+ 0 0 85 -32,-0.1 -2,-0.2 -3,-0.1 -31,-0.1 -0.013 92.7 121.0-105.8 0.2 -17.1 37.1 -6.9 77 76 A H + 0 0 13 -5,-0.2 -33,-1.5 -34,-0.1 2,-0.3 -0.272 40.1 157.3 -67.5 145.6 -19.6 35.8 -4.3 78 77 A Y E -HI 43 71D 33 -7,-2.5 -7,-1.8 -35,-0.3 2,-0.5 -0.983 46.7-110.7-156.6 163.3 -23.1 34.9 -5.3 79 78 A L E -HI 42 70D 0 -37,-2.5 -37,-2.4 -2,-0.3 2,-0.5 -0.914 38.2-156.5 -91.1 131.7 -26.4 33.2 -4.9 80 79 A Q E -HI 41 69D 8 -11,-2.9 -11,-2.0 -2,-0.5 2,-0.5 -0.953 6.4-162.9-110.9 131.8 -26.8 30.6 -7.6 81 80 A L E +HI 40 68D 0 -41,-2.6 -41,-2.6 -2,-0.5 2,-0.2 -0.958 12.4 172.8-110.8 125.8 -30.2 29.3 -8.8 82 81 A E E - I 0 67D 11 -15,-1.7 -15,-2.4 -2,-0.5 2,-0.3 -0.672 17.0-142.4-115.7-179.6 -30.5 26.0 -10.7 83 82 A F E - I 0 66D 6 -48,-0.3 -17,-0.2 -45,-0.2 280,-0.1 -0.984 11.8-123.1-148.4 151.2 -33.6 24.2 -11.7 84 83 A K S S- 0 0 91 -19,-1.6 2,-1.1 -2,-0.3 -49,-0.1 -0.119 71.1 -58.7 -75.5-170.8 -35.3 20.8 -12.1 85 84 A D S S+ 0 0 90 -50,-0.1 2,-0.4 -49,-0.1 -1,-0.1 -0.593 74.8 156.4 -85.7 105.9 -36.7 20.1 -15.6 86 85 A V - 0 0 25 -2,-1.1 -51,-2.8 -21,-0.1 -50,-0.2 -0.995 40.7-120.3-131.5 122.3 -39.2 22.9 -16.1 87 86 A K E -F 34 0C 142 -2,-0.4 -53,-0.2 -53,-0.2 -55,-0.0 -0.402 21.5-171.6 -72.4 135.8 -40.1 23.8 -19.7 88 87 A L E -F 33 0C 4 -55,-2.3 -55,-2.0 -2,-0.2 3,-0.1 -0.820 21.9-150.9-121.7 88.2 -39.5 27.3 -21.0 89 88 A P > - 0 0 71 0, 0.0 3,-2.7 0, 0.0 -62,-0.2 -0.144 35.9 -77.4 -54.0 152.1 -41.2 27.3 -24.4 90 89 A A T 3 S+ 0 0 35 1,-0.3 -60,-0.1 -60,-0.2 -58,-0.1 -0.258 122.0 11.2 -51.2 130.9 -39.8 29.6 -27.2 91 90 A G T 3 S+ 0 0 58 -62,-0.4 -1,-0.3 -64,-0.3 -63,-0.1 0.348 108.9 120.0 81.4 -7.8 -40.9 33.1 -26.5 92 91 A G < - 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