==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-13 4C8X . COMPND 2 MOLECULE: CELLULOSE 1,4-BETA-CELLOBIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR O.YANIV,E.A.BAYER,R.LAMED,F.FROLOW . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 60.6 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 . 215 37.3 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 . 0 0.0 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 . 0 0.0 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 . 54 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.2 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 . 3 12 4 7 8 3 6 0 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 5 3 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 1 A D 0 0 92 0, 0.0 26,-1.9 0, 0.0 27,-0.7 0.000 360.0 360.0 360.0 -40.7 -13.6 16.4 -18.4 2 2 A V E +A 26 0A 6 136,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.993 360.0 177.4-135.9 143.8 -12.8 16.3 -14.7 3 3 A K E -A 25 0A 39 22,-2.2 22,-2.4 -2,-0.3 2,-0.4 -0.907 21.7-125.9-140.6 168.8 -13.4 13.3 -12.3 4 4 A V E -A 24 0A 0 -2,-0.3 122,-2.7 20,-0.2 2,-0.4 -0.969 12.5-163.4-118.2 135.0 -12.9 12.1 -8.7 5 5 A Q E -AB 23 125A 36 18,-2.8 18,-1.8 -2,-0.4 2,-0.3 -0.888 15.5-169.2-107.1 151.3 -11.1 9.0 -7.4 6 6 A Y E -AB 22 124A 2 118,-2.0 118,-1.1 -2,-0.4 2,-0.3 -0.911 15.4-172.5-135.1 153.0 -11.7 7.9 -3.9 7 7 A L E -A 21 0A 21 14,-1.6 14,-2.1 -2,-0.3 2,-0.5 -0.958 23.1-131.5-145.7 143.8 -10.3 5.4 -1.4 8 8 A C E +A 20 0A 6 112,-3.2 12,-0.3 -2,-0.3 3,-0.1 -0.775 25.3 172.2 -94.6 126.4 -11.7 4.5 2.0 9 9 A E S S+ 0 0 74 10,-2.3 2,-0.9 -2,-0.5 11,-0.2 0.838 71.7 50.5-101.2 -46.6 -9.2 4.5 4.9 10 10 A N + 0 0 32 9,-2.5 9,-0.4 1,-0.1 -1,-0.3 -0.827 60.4 171.3 -91.8 107.2 -11.4 4.0 7.9 11 11 A T + 0 0 64 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.1 0.290 34.3 125.3 -95.7 6.9 -13.6 1.0 7.0 12 12 A Q - 0 0 106 1,-0.1 98,-0.2 -3,-0.0 3,-0.1 -0.527 58.3-142.9 -73.8 128.3 -15.0 0.7 10.5 13 13 A T S S+ 0 0 83 -2,-0.3 97,-3.2 1,-0.2 2,-0.5 0.951 92.0 31.6 -57.7 -53.5 -18.8 0.8 10.5 14 14 A S E S+F 109 0B 58 95,-0.2 2,-0.3 96,-0.1 95,-0.2 -0.942 87.5 151.1-109.6 125.4 -19.2 2.8 13.7 15 15 A T E -F 108 0B 4 93,-2.7 93,-2.7 -2,-0.5 3,-0.1 -0.958 55.5-133.5-153.3 156.4 -16.3 5.2 14.2 16 16 A Q S S+ 0 0 61 -2,-0.3 86,-0.5 91,-0.2 2,-0.4 0.478 97.8 50.8 -89.7 -4.8 -15.2 8.6 15.7 17 17 A E - 0 0 44 91,-0.1 2,-0.4 84,-0.1 84,-0.2 -0.949 63.6-156.4-141.8 113.7 -13.5 9.4 12.4 18 18 A I E + C 0 100A 5 82,-2.6 82,-2.2 -2,-0.4 2,-0.3 -0.774 34.5 176.8 -77.1 134.4 -14.6 9.3 8.8 19 19 A K E + C 0 99A 42 -2,-0.4 -9,-2.5 -9,-0.4 -10,-2.3 -0.952 14.1 111.3-152.2 126.7 -11.3 9.0 6.8 20 20 A G E -AC 8 98A 0 78,-1.9 78,-2.7 -2,-0.3 2,-0.3 -0.868 47.3 -99.0-163.2-163.3 -10.3 8.6 3.2 21 21 A K E -AC 7 97A 31 -14,-2.1 -14,-1.6 -2,-0.2 2,-0.3 -0.990 17.8-156.8-137.9 146.0 -8.6 10.2 0.2 22 22 A F E -AC 6 96A 0 74,-2.0 74,-2.4 -2,-0.3 2,-0.3 -0.878 3.2-168.6-112.8 154.8 -9.7 12.1 -2.9 23 23 A N E -A 5 0A 5 -18,-1.8 -18,-2.8 -2,-0.3 2,-0.6 -0.959 10.6-153.0-141.0 121.3 -7.9 12.5 -6.1 24 24 A I E -A 4 0A 0 70,-0.5 69,-2.1 -2,-0.3 2,-0.5 -0.877 15.8-165.8-101.3 122.7 -9.1 15.0 -8.7 25 25 A V E -AD 3 92A 18 -22,-2.4 -22,-2.2 -2,-0.6 2,-0.7 -0.943 17.6-145.0-118.4 124.6 -8.1 14.1 -12.3 26 26 A N E +A 2 0A 1 65,-3.3 -24,-0.2 -2,-0.5 64,-0.2 -0.782 21.2 176.5 -84.8 112.9 -8.3 16.3 -15.4 27 27 A T + 0 0 74 -26,-1.9 -25,-0.2 -2,-0.7 2,-0.1 0.220 52.7 67.2-106.3 13.2 -9.2 14.0 -18.2 28 28 A G S S- 0 0 23 -27,-0.7 62,-0.3 2,-0.2 -2,-0.1 -0.362 90.1 -96.5-120.3-161.8 -9.5 16.5 -21.0 29 29 A N S S+ 0 0 139 60,-0.2 2,-0.4 -2,-0.1 60,-0.2 0.218 88.7 85.6-108.5 13.7 -7.4 18.9 -23.1 30 30 A R S S- 0 0 175 -29,-0.1 -2,-0.2 58,-0.1 60,-0.2 -0.948 72.5-123.3-122.8 138.5 -8.0 22.1 -21.2 31 31 A D - 0 0 115 -2,-0.4 2,-0.3 58,-0.1 -2,-0.1 -0.455 32.1-171.3 -71.4 144.4 -6.2 23.6 -18.1 32 32 A Y E -G 87 0C 51 55,-2.2 55,-3.5 -2,-0.1 2,-0.4 -0.890 22.3-130.4-128.8 161.0 -8.4 24.4 -15.1 33 33 A S E > -G 86 0C 8 -2,-0.3 3,-1.7 53,-0.2 53,-0.2 -0.963 18.0-136.9-105.9 135.4 -8.0 26.1 -11.8 34 34 A L G > S+ 0 0 0 51,-3.3 3,-2.2 -2,-0.4 48,-0.3 0.706 97.6 79.4 -57.8 -20.9 -9.2 24.2 -8.7 35 35 A K G 3 S+ 0 0 104 1,-0.3 -1,-0.3 50,-0.2 47,-0.2 0.776 92.0 51.1 -61.9 -22.3 -10.8 27.5 -7.5 36 36 A D G < S+ 0 0 45 -3,-1.7 98,-1.5 47,-0.1 2,-0.4 0.408 98.1 88.6 -91.5 1.0 -13.6 26.8 -9.9 37 37 A I E < -H 133 0D 1 -3,-2.2 2,-0.4 96,-0.2 45,-0.3 -0.857 53.9-169.6-110.1 135.0 -14.1 23.3 -8.6 38 38 A V E -H 132 0D 9 94,-2.6 94,-2.5 -2,-0.4 2,-0.4 -0.988 6.3-164.0-125.4 124.5 -16.4 22.2 -5.7 39 39 A L E -HI 131 80D 0 41,-2.5 41,-2.3 -2,-0.4 2,-0.4 -0.852 2.8-165.4-108.0 141.0 -16.2 18.7 -4.2 40 40 A R E -HI 130 79D 18 90,-2.1 90,-1.5 -2,-0.4 2,-0.5 -0.984 10.8-170.8-131.3 134.7 -18.9 17.1 -2.0 41 41 A Y E -HI 129 78D 2 37,-2.4 37,-2.4 -2,-0.4 2,-0.4 -0.980 23.8-142.8-115.6 125.2 -18.8 14.0 0.2 42 42 A Y E + I 0 77D 11 86,-0.5 73,-2.2 -2,-0.5 2,-0.3 -0.735 30.6 148.1-102.7 134.4 -22.2 13.0 1.6 43 43 A F E - I 0 76D 2 33,-2.0 33,-2.5 -2,-0.4 2,-0.5 -0.935 45.4-100.2-151.3 169.4 -22.9 11.5 5.1 44 44 A T - 0 0 20 -2,-0.3 2,-0.9 65,-0.2 30,-0.2 -0.851 24.5-150.4 -98.1 127.8 -25.6 11.5 7.8 45 45 A K + 0 0 48 28,-3.1 30,-0.1 -2,-0.5 63,-0.0 -0.798 23.4 168.7 -98.5 98.4 -25.1 13.8 10.8 46 46 A E + 0 0 76 -2,-0.9 2,-0.3 28,-0.1 -1,-0.2 0.703 57.1 58.4 -86.6 -18.0 -26.8 12.0 13.7 47 47 A H S S- 0 0 78 2,-0.1 61,-0.0 26,-0.1 0, 0.0 -0.743 74.9-131.6-110.4 162.7 -25.4 14.2 16.5 48 48 A N S S+ 0 0 167 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.669 70.2 112.6 -84.6 -20.2 -25.8 17.9 17.2 49 49 A S S S- 0 0 22 1,-0.1 -2,-0.1 53,-0.0 2,-0.1 -0.097 78.2-100.9 -48.5 149.2 -22.1 18.5 17.9 50 50 A Q - 0 0 128 1,-0.1 53,-3.0 52,-0.1 54,-0.3 -0.429 38.3-119.9 -71.8 154.8 -20.2 20.7 15.3 51 51 A L E -E 102 0A 21 51,-0.2 2,-0.4 52,-0.1 51,-0.2 -0.658 19.2-150.8 -96.2 152.2 -18.1 18.8 12.8 52 52 A Q E -E 101 0A 30 49,-3.2 49,-2.1 -2,-0.3 2,-0.4 -0.966 2.9-153.2-121.4 140.6 -14.4 19.2 12.3 53 53 A F E -E 100 0A 38 -2,-0.4 2,-0.4 47,-0.2 47,-0.2 -0.913 13.1-178.0-107.0 141.5 -12.4 18.7 9.1 54 54 A I E -E 99 0A 23 45,-2.1 45,-1.6 -2,-0.4 2,-0.7 -0.989 16.8-161.1-137.3 130.4 -8.7 17.8 9.0 55 55 A C - 0 0 9 -2,-0.4 3,-0.2 43,-0.2 43,-0.2 -0.925 7.9-175.2-104.3 107.1 -6.4 17.3 6.1 56 56 A S - 0 0 24 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.805 68.6 -8.2 -69.3 -28.7 -3.5 15.2 7.4 57 57 A Y + 0 0 61 40,-0.2 40,-2.0 -3,-0.1 -1,-0.3 -0.901 57.3 161.6-170.7 131.9 -1.6 15.5 4.1 58 58 A T > - 0 0 1 -2,-0.3 3,-1.6 38,-0.2 4,-0.3 -0.914 34.1-138.4-152.6 135.7 -1.9 16.6 0.5 59 59 A P T 3 S+ 0 0 63 0, 0.0 37,-0.1 0, 0.0 35,-0.1 0.754 104.5 63.8 -57.9 -23.8 0.8 17.3 -2.1 60 60 A I T 3 S- 0 0 27 35,-0.4 36,-0.1 33,-0.1 34,-0.1 0.652 122.0 -99.1 -78.8 -10.4 -1.2 20.4 -3.2 61 61 A G X - 0 0 8 -3,-1.6 3,-2.3 2,-0.1 4,-0.1 0.565 17.7-125.1 95.1 115.3 -0.8 22.0 0.2 62 62 A S G > S+ 0 0 29 1,-0.3 3,-1.8 -4,-0.3 -1,-0.1 0.762 108.1 71.4 -68.9 -20.5 -3.5 21.8 2.8 63 63 A G G 3 S+ 0 0 39 475,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.730 90.5 62.7 -59.5 -21.5 -3.4 25.6 3.1 64 64 A N G < S+ 0 0 51 -3,-2.3 19,-2.0 18,-0.1 2,-0.3 0.429 85.4 94.7 -87.0 -0.1 -5.0 25.6 -0.3 65 65 A L E < -J 82 0D 14 -3,-1.8 17,-0.2 17,-0.2 15,-0.1 -0.719 54.5-164.7 -92.3 144.4 -8.2 23.8 0.9 66 66 A I E -J 81 0D 72 15,-2.7 15,-2.0 -2,-0.3 2,-0.2 -0.818 21.3-172.0-126.8 86.6 -11.3 25.7 1.9 67 67 A P E +J 80 0D 58 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.509 11.9 159.0 -82.6 149.4 -13.5 23.1 3.8 68 68 A S E -J 79 0D 27 11,-2.2 11,-3.4 -2,-0.2 2,-0.3 -0.977 28.6-131.0-156.2 168.5 -17.0 23.5 5.0 69 69 A F E +J 78 0D 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.934 32.7 152.1-122.0 148.1 -20.1 21.5 6.1 70 70 A G E +J 77 0D 3 7,-2.0 7,-2.1 -2,-0.3 2,-0.1 -0.932 20.8 64.4-158.7 177.9 -23.7 21.9 5.0 71 71 A G E S-J 76 0D 12 -2,-0.3 5,-0.2 5,-0.2 6,-0.1 -0.184 78.1 -49.1 92.6 177.9 -27.0 20.2 4.4 72 72 A S - 0 0 34 3,-0.8 -27,-0.3 300,-0.1 -2,-0.1 -0.200 56.3-100.2 -77.0 175.4 -29.6 18.5 6.6 73 73 A G S > S+ 0 0 36 1,-0.2 -28,-3.1 -29,-0.1 3,-0.6 0.940 123.6 48.0 -58.7 -47.4 -28.9 15.9 9.3 74 74 A D T 3 S+ 0 0 123 1,-0.3 2,-0.3 -30,-0.2 -1,-0.2 0.862 126.3 25.7 -69.3 -37.5 -30.1 13.2 6.9 75 75 A E T 3 S+ 0 0 61 -31,-0.1 -3,-0.8 -30,-0.1 -1,-0.3 -0.667 82.4 160.5-127.5 81.3 -28.0 14.3 3.9 76 76 A H E < -IJ 43 71D 17 -33,-2.5 -33,-2.0 -3,-0.6 2,-0.3 -0.458 18.0-160.9 -85.8 164.9 -25.1 16.3 5.3 77 77 A Y E -IJ 42 70D 16 -7,-2.1 -7,-2.0 -35,-0.2 2,-0.5 -0.996 23.4-136.4-148.7 147.9 -22.0 16.9 3.3 78 78 A L E -IJ 41 69D 0 -37,-2.4 -37,-2.4 -2,-0.3 2,-0.4 -0.892 31.8-159.5 -85.5 130.4 -18.3 17.9 3.6 79 79 A Q E -IJ 40 68D 8 -11,-3.4 -11,-2.2 -2,-0.5 2,-0.5 -0.966 6.4-162.0-116.3 132.4 -17.6 20.5 0.9 80 80 A L E +IJ 39 67D 0 -41,-2.3 -41,-2.5 -2,-0.4 2,-0.2 -0.967 12.5 172.1-112.4 123.2 -14.2 21.2 -0.4 81 81 A E E - J 0 66D 52 -15,-2.0 -15,-2.7 -2,-0.5 2,-0.3 -0.685 18.6-146.0-111.3 177.0 -13.4 24.4 -2.3 82 82 A F E - J 0 65D 7 -48,-0.3 -17,-0.2 -45,-0.3 -45,-0.1 -0.973 11.5-118.9-145.4 151.9 -9.9 25.5 -3.3 83 83 A K S S- 0 0 113 -19,-2.0 2,-2.1 -2,-0.3 -49,-0.1 -0.138 70.1 -56.9 -75.9-174.1 -7.6 28.5 -3.8 84 84 A D S S+ 0 0 89 -50,-0.2 2,-0.5 -49,-0.1 -1,-0.1 -0.422 76.1 156.1 -76.4 79.6 -6.1 29.2 -7.2 85 85 A V - 0 0 27 -2,-2.1 -51,-3.3 -21,-0.1 -50,-0.2 -0.907 41.5-120.7-106.7 127.8 -4.3 25.9 -7.8 86 86 A K E -G 33 0C 135 -2,-0.5 -53,-0.2 -53,-0.2 -55,-0.0 -0.438 22.1-171.8 -72.3 134.1 -3.6 24.9 -11.4 87 87 A L E -G 32 0C 4 -55,-3.5 -55,-2.2 -2,-0.2 3,-0.1 -0.828 21.3-152.5-121.3 89.6 -5.0 21.6 -12.7 88 88 A P > - 0 0 67 0, 0.0 3,-2.4 0, 0.0 -62,-0.2 -0.161 33.8 -80.0 -61.0 153.2 -3.3 21.2 -16.1 89 89 A A T 3 S+ 0 0 36 1,-0.3 -60,-0.2 -60,-0.2 -58,-0.1 -0.324 121.5 11.6 -45.1 125.5 -5.0 19.3 -19.0 90 90 A G T 3 S+ 0 0 58 -62,-0.3 -1,-0.3 1,-0.3 -63,-0.1 0.329 107.5 118.3 87.3 -9.3 -4.3 15.6 -18.3 91 91 A G < - 0 0 21 -3,-2.4 -65,-3.3 -66,-0.1 2,-0.3 -0.222 47.4-150.2 -91.0 175.9 -3.1 16.3 -14.8 92 92 A Q B -D 25 0A 121 -67,-0.2 -67,-0.2 -3,-0.1 3,-0.1 -0.972 20.2-131.7-143.5 157.3 -4.2 15.2 -11.2 93 93 A T - 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