==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 03-SEP-12 4B97 . COMPND 2 MOLECULE: CELLULOSE BINDING DOMAIN-CONTAINING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR O.YANIV,G.FICHMAN,L.J.W.SHIMON,E.A.BAYER,R.LAMED,F.FROLOW . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 40.4 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 . 2 1.3 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 . 17 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.3 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 0 2 1 1 1 1 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 . 1 0 0 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 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 M 0 0 112 0, 0.0 2,-0.3 0, 0.0 141,-0.1 0.000 360.0 360.0 360.0 -4.9 24.2 50.4 15.7 2 2 A G - 0 0 26 139,-0.1 2,-0.3 32,-0.1 139,-0.1 -0.974 360.0 -79.0 168.4-147.1 26.5 47.6 17.3 3 3 A S + 0 0 46 -2,-0.3 26,-1.3 29,-0.3 27,-1.2 -0.981 40.1 165.9-149.0 138.3 28.6 44.5 16.3 4 4 A V E -A 28 0A 3 -2,-0.3 2,-0.4 142,-0.3 24,-0.2 -0.958 21.3-148.0-142.7 162.8 27.6 40.9 15.5 5 5 A K E -A 27 0A 60 22,-1.8 22,-2.3 -2,-0.3 2,-0.5 -0.997 15.8-140.8-132.5 139.7 29.0 37.8 13.9 6 6 A V E -A 26 0A 0 -2,-0.4 128,-2.4 20,-0.2 2,-0.4 -0.885 13.7-169.3-102.8 127.2 27.1 35.2 12.0 7 7 A R E -AB 25 133A 60 18,-3.0 18,-2.5 -2,-0.5 2,-0.4 -0.919 8.2-158.3-111.4 141.1 27.8 31.5 12.4 8 8 A F E -AB 24 132A 0 124,-2.7 124,-1.9 -2,-0.4 2,-0.6 -0.961 9.9-161.7-125.8 136.2 26.2 29.0 10.0 9 9 A Y E -A 23 0A 62 14,-2.7 2,-0.8 -2,-0.4 14,-0.8 -0.967 15.2-153.5-117.5 113.7 25.6 25.3 10.5 10 10 A N B +e 128 0B 0 117,-0.7 119,-2.1 -2,-0.6 120,-0.2 -0.763 30.0 157.8 -95.4 109.3 25.0 23.5 7.2 11 11 A N + 0 0 41 -2,-0.8 -1,-0.1 117,-0.2 2,-0.1 0.119 39.4 120.6-112.2 21.1 22.9 20.4 7.4 12 12 A N - 0 0 3 9,-0.2 2,-0.2 1,-0.1 8,-0.1 -0.435 59.9-126.2 -74.7 153.5 21.8 20.4 3.8 13 13 A T - 0 0 69 2,-0.2 105,-0.1 -2,-0.1 4,-0.1 -0.560 14.1-129.9 -85.2 164.9 22.5 17.6 1.2 14 14 A L S S+ 0 0 104 -2,-0.2 105,-0.4 2,-0.1 104,-0.3 0.737 81.9 97.2 -83.6 -26.9 24.2 18.4 -2.1 15 15 A S S S- 0 0 72 1,-0.1 103,-0.2 102,-0.1 -2,-0.2 -0.219 95.1 -88.7 -59.4 151.9 21.5 16.6 -4.0 16 16 A E + 0 0 139 101,-0.1 2,-0.3 99,-0.1 101,-0.2 -0.444 59.6 171.3 -63.6 132.4 18.6 18.7 -5.5 17 17 A T B -F 116 0C 33 99,-1.2 99,-3.1 -2,-0.1 -5,-0.0 -0.939 45.1-121.9-140.0 166.8 15.9 19.0 -2.9 18 18 A G S S+ 0 0 19 -2,-0.3 92,-0.8 97,-0.2 2,-0.4 0.561 93.6 57.3 -84.7 -8.0 12.8 21.0 -2.5 19 19 A V E - C 0 109A 32 90,-0.2 2,-0.5 97,-0.1 90,-0.2 -0.971 60.9-156.8-132.5 134.2 14.0 22.7 0.7 20 20 A I E - C 0 108A 0 88,-2.5 88,-2.0 -2,-0.4 2,-0.3 -0.963 21.2-152.0-105.8 125.0 17.0 24.8 1.7 21 21 A Y E - C 0 107A 94 -2,-0.5 2,-0.4 86,-0.2 86,-0.3 -0.743 10.3-169.5 -95.8 145.7 17.8 24.6 5.4 22 22 A M E - C 0 106A 0 84,-3.0 84,-3.1 -2,-0.3 2,-0.6 -0.968 7.7-178.5-135.3 117.6 19.4 27.4 7.4 23 23 A R E +AC 9 105A 90 -14,-0.8 -14,-2.7 -2,-0.4 2,-0.4 -0.974 21.3 177.5-115.8 115.2 20.7 27.0 10.9 24 24 A I E -AC 8 104A 1 80,-2.4 80,-2.3 -2,-0.6 2,-0.4 -0.959 22.7-169.8-127.9 139.0 22.1 30.3 12.1 25 25 A N E -AC 7 103A 10 -18,-2.5 -18,-3.0 -2,-0.4 2,-0.5 -0.994 9.5-167.2-127.3 121.5 23.6 31.6 15.3 26 26 A V E -AC 6 102A 0 76,-2.6 76,-2.3 -2,-0.4 2,-0.4 -0.951 6.6-162.1-112.7 122.7 24.2 35.4 15.6 27 27 A I E -AC 5 101A 36 -22,-2.3 -22,-1.8 -2,-0.5 2,-0.9 -0.881 21.9-125.4-107.0 138.1 26.4 36.5 18.5 28 28 A N E +A 4 0A 4 72,-2.7 71,-2.7 -2,-0.4 -24,-0.3 -0.731 34.8 169.9 -79.0 105.9 26.6 40.1 19.9 29 29 A T + 0 0 67 -26,-1.3 -25,-0.2 -2,-0.9 -1,-0.2 0.292 49.1 81.1-100.0 2.9 30.3 40.8 19.7 30 30 A G S S- 0 0 14 -27,-1.2 69,-0.1 2,-0.2 4,-0.1 -0.123 86.5-107.9 -98.9-162.9 30.1 44.5 20.4 31 31 A N S S+ 0 0 166 67,-0.1 -29,-0.0 2,-0.1 -3,-0.0 0.331 90.7 77.1-106.7 -0.9 29.7 46.7 23.5 32 32 A A S S- 0 0 35 -29,-0.1 -29,-0.3 65,-0.1 -2,-0.2 -0.867 83.7-110.0-114.2 145.7 26.1 47.7 23.0 33 33 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 64,-0.2 -0.409 33.8-144.3 -65.1 153.2 22.9 45.9 23.6 34 34 A L E -G 96 0D 7 62,-2.2 62,-2.7 -4,-0.1 2,-0.6 -0.991 6.1-141.8-123.5 129.1 21.1 44.9 20.4 35 35 A D E > -G 95 0D 52 -2,-0.4 3,-2.1 60,-0.2 4,-0.3 -0.820 17.7-142.1 -84.0 122.2 17.3 44.9 19.9 36 36 A L G > S+ 0 0 1 58,-2.8 3,-2.0 -2,-0.6 53,-0.3 0.783 96.4 70.7 -60.4 -27.4 16.7 41.8 17.7 37 37 A S G 3 S+ 0 0 31 57,-0.3 -1,-0.3 1,-0.3 52,-0.3 0.778 96.1 54.7 -59.7 -22.7 14.0 43.7 15.8 38 38 A D G < S+ 0 0 50 -3,-2.1 104,-2.4 52,-0.1 105,-0.5 0.533 91.9 94.2 -82.2 -8.0 16.8 45.8 14.4 39 39 A L E < +H 141 0E 0 -3,-2.0 50,-0.4 -4,-0.3 2,-0.4 -0.739 47.8 176.0 -97.4 128.4 18.7 42.8 13.1 40 40 A K E -H 140 0E 66 100,-2.3 100,-2.7 -2,-0.4 2,-0.4 -0.982 8.6-164.9-123.4 145.8 18.3 41.4 9.5 41 41 A L E -HI 139 87E 1 46,-2.5 46,-2.7 -2,-0.4 2,-0.4 -0.970 5.2-155.0-126.2 147.6 20.2 38.6 7.9 42 42 A R E -HI 138 86E 61 96,-2.1 96,-1.5 -2,-0.4 2,-0.5 -0.982 7.8-168.5-128.4 132.8 20.4 37.7 4.2 43 43 A Y E -HI 137 85E 2 42,-2.3 42,-2.1 -2,-0.4 2,-0.3 -0.984 19.4-152.4-115.2 121.8 21.1 34.4 2.5 44 44 A Y E + I 0 84E 8 92,-0.5 79,-2.4 -2,-0.5 2,-0.3 -0.759 27.5 139.2-105.2 141.9 21.8 34.7 -1.2 45 45 A Y E - I 0 83E 0 38,-2.7 38,-2.2 -2,-0.3 37,-2.1 -0.924 52.0 -93.5-162.0 173.9 21.2 32.0 -3.8 46 46 A T - 0 0 14 71,-0.3 71,-0.3 -2,-0.3 74,-0.1 -0.958 26.1-148.1-103.0 128.5 20.0 31.2 -7.3 47 47 A I - 0 0 3 -2,-0.5 2,-1.4 1,-0.1 -1,-0.1 0.763 19.5-157.8 -67.6 -25.7 16.4 30.2 -7.3 48 48 A D S S+ 0 0 67 68,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.144 71.6 26.0 76.6 -41.1 17.0 27.8 -10.2 49 49 A S S S- 0 0 40 -2,-1.4 2,-0.4 2,-0.1 65,-0.0 -0.963 95.1-105.1-144.4 149.7 13.4 27.7 -11.4 50 50 A E + 0 0 141 -2,-0.3 2,-0.3 60,-0.0 -2,-0.0 -0.642 57.0 131.5 -84.5 127.4 10.9 30.4 -10.9 51 51 A S - 0 0 25 -2,-0.4 -2,-0.1 63,-0.0 2,-0.1 -0.980 61.0 -89.0-160.9 155.3 8.2 29.9 -8.3 52 52 A E - 0 0 149 -2,-0.3 59,-2.4 58,-0.1 60,-0.5 -0.418 51.6-145.3 -57.2 150.2 6.6 31.6 -5.4 53 53 A Q E -D 110 0A 25 57,-0.3 2,-0.4 58,-0.1 57,-0.2 -0.847 10.4-150.2-125.6 159.0 8.5 30.7 -2.2 54 54 A R E -D 109 0A 142 55,-2.6 55,-1.9 -2,-0.3 2,-0.4 -0.994 6.5-152.8-130.3 136.1 7.6 30.1 1.4 55 55 A F E -D 108 0A 31 -2,-0.4 2,-0.4 53,-0.2 53,-0.2 -0.852 14.0-179.3-104.7 140.4 9.7 30.7 4.5 56 56 A N E -D 107 0A 26 51,-2.5 51,-2.2 -2,-0.4 2,-0.6 -0.993 18.0-157.5-136.3 139.4 9.4 28.7 7.8 57 57 A C E -D 106 0A 21 -2,-0.4 49,-0.3 49,-0.2 3,-0.1 -0.958 9.8-177.4-109.2 119.4 11.2 29.0 11.1 58 58 A D E + 0 0 92 47,-2.3 2,-0.3 -2,-0.6 6,-0.2 0.732 66.9 0.9 -87.1 -24.0 10.9 25.7 13.0 59 59 A W E +D 105 0A 115 46,-1.4 46,-2.8 5,-0.1 2,-0.3 -0.969 57.8 174.6-161.4 141.7 12.7 26.7 16.1 60 60 A S E > -D 104 0A 5 -2,-0.3 3,-1.8 44,-0.2 4,-0.3 -0.975 39.3-125.5-146.5 152.8 14.4 29.7 17.7 61 61 A S T 3 S+ 0 0 62 42,-2.4 43,-0.1 -2,-0.3 -1,-0.1 0.706 119.3 43.7 -61.1 -21.2 16.0 30.5 21.0 62 62 A I T 3 S- 0 0 40 41,-0.4 -1,-0.3 1,-0.1 42,-0.1 0.272 136.7 -74.5-107.7 11.5 13.6 33.5 21.1 63 63 A G X - 0 0 30 -3,-1.8 3,-2.3 2,-0.1 4,-0.2 0.488 35.0-115.0 99.0 121.4 10.6 31.6 19.8 64 64 A A G > S+ 0 0 24 -4,-0.3 3,-1.7 1,-0.3 -5,-0.1 0.835 114.2 59.9 -55.0 -35.1 10.1 30.4 16.2 65 65 A H G 3 S+ 0 0 185 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.619 96.5 63.3 -74.2 -8.1 7.0 32.7 15.7 66 66 A N G < S+ 0 0 41 -3,-2.3 24,-2.3 24,-0.1 2,-0.4 0.346 86.6 87.9 -95.2 6.4 9.3 35.8 16.5 67 67 A V E < -J 89 0E 13 -3,-1.7 2,-0.3 22,-0.2 22,-0.3 -0.878 63.4-162.3-106.4 132.1 11.4 35.1 13.4 68 68 A T E -J 88 0E 55 20,-2.7 20,-2.0 -2,-0.4 2,-0.4 -0.805 5.1-164.5-113.1 155.3 10.3 36.6 10.1 69 69 A G E +J 87 0E 30 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -1.000 13.9 158.9-136.9 144.9 11.2 35.9 6.5 70 70 A S E -J 86 0E 57 16,-1.7 16,-3.1 -2,-0.4 2,-0.3 -0.929 27.3-122.6-151.3 175.1 10.8 37.7 3.3 71 71 A F E -J 85 0E 70 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.852 20.0-179.3-126.5 152.8 12.4 37.6 -0.2 72 72 A G E -J 84 0E 14 12,-2.3 12,-2.5 -2,-0.3 2,-0.4 -0.971 23.9-120.1-144.8 161.7 14.2 39.9 -2.5 73 73 A K E -J 83 0E 114 -2,-0.3 2,-0.7 10,-0.2 10,-0.3 -0.811 18.8-133.8 -98.6 145.0 15.8 39.9 -5.9 74 74 A V E - 0 0 20 8,-1.9 4,-0.1 -2,-0.4 7,-0.0 -0.903 32.7-142.5 -96.1 120.3 19.4 40.7 -6.6 75 75 A N E S+ 0 0 137 -2,-0.7 2,-0.2 1,-0.2 7,-0.0 -0.991 86.2 23.2-141.1 126.4 19.5 43.0 -9.5 76 76 A P E S- 0 0 90 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.643 110.5-121.6 -61.0 150.7 21.5 43.0 -11.7 77 77 A S E - 0 0 83 -2,-0.2 2,-0.3 1,-0.0 5,-0.2 -0.309 27.6-154.5 -65.7 153.7 22.0 39.4 -10.7 78 78 A R E > -J 81 0E 113 3,-2.6 3,-2.3 -4,-0.1 2,-0.3 -0.746 37.6 -64.6-119.1 172.4 25.5 38.2 -9.5 79 79 A N T 3 S- 0 0 158 1,-0.3 -1,-0.0 -2,-0.3 -33,-0.0 -0.393 122.7 -1.4 -64.6 120.8 27.2 34.9 -9.6 80 80 A G T 3 S+ 0 0 14 -2,-0.3 42,-2.7 41,-0.1 43,-0.3 0.487 122.8 85.6 79.4 6.8 25.4 32.5 -7.3 81 81 A A E < + J 0 78E 0 -3,-2.3 -3,-2.6 40,-0.2 -35,-0.3 -0.749 23.3 128.7-149.8 94.6 22.9 35.2 -6.3 82 82 A D E S+ 0 0 40 -37,-2.1 -8,-1.9 -2,-0.3 2,-0.3 0.453 84.8 25.4-110.0 -6.3 19.7 36.2 -8.2 83 83 A T E -IJ 45 73E 1 -38,-2.2 -38,-2.7 -10,-0.3 2,-0.3 -0.961 63.0-165.2-147.3 156.7 17.6 36.0 -5.0 84 84 A Y E -IJ 44 72E 44 -12,-2.5 -12,-2.3 -2,-0.3 2,-0.4 -0.990 16.2-138.6-141.9 158.9 17.9 36.2 -1.2 85 85 A V E -IJ 43 71E 0 -42,-2.1 -42,-2.3 -2,-0.3 2,-0.5 -0.942 19.8-151.2-105.3 136.5 15.9 35.4 1.8 86 86 A E E -IJ 42 70E 29 -16,-3.1 -16,-1.7 -2,-0.4 2,-0.5 -0.952 6.3-158.9-112.7 120.9 15.9 38.0 4.6 87 87 A I E +IJ 41 69E 1 -46,-2.7 -46,-2.5 -2,-0.5 -18,-0.2 -0.877 21.5 162.8-101.6 130.2 15.5 36.8 8.1 88 88 A G E - 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