==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING PROTEIN 12-JUN-11 3ZQW . COMPND 2 MOLECULE: CELLULOSOMAL SCAFFOLDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETIVIBRIO CELLULOLYTICUS; . AUTHOR O.YANIV,Y.HALFON,R.LAMED,F.FROLOW . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 61.4 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 . 59 38.6 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 . 1 0.7 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 . 15 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.8 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 . 1 3 2 0 1 2 1 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 . 2 0 0 1 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 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 G 0 0 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.5 -19.1 33.4 -18.3 2 2 A S + 0 0 70 30,-0.0 3,-0.4 31,-0.0 32,-0.3 0.140 360.0 82.4-172.7 -0.8 -16.0 31.5 -17.6 3 3 A H S S+ 0 0 104 1,-0.2 29,-0.0 29,-0.0 0, 0.0 0.357 92.9 44.2-101.8 3.8 -14.1 34.0 -15.5 4 4 A M + 0 0 70 139,-0.1 2,-2.2 32,-0.0 -1,-0.2 -0.125 64.7 144.2-136.8 43.8 -15.8 33.3 -12.1 5 5 A N + 0 0 50 -3,-0.4 26,-2.3 29,-0.1 2,-0.6 -0.363 25.9 135.3 -84.1 59.8 -15.9 29.5 -12.1 6 6 A L E -A 30 0A 6 -2,-2.2 2,-0.3 24,-0.2 24,-0.2 -0.935 38.3-162.5-112.0 107.6 -15.3 29.3 -8.4 7 7 A K E -A 29 0A 74 22,-2.9 22,-2.4 -2,-0.6 2,-0.5 -0.718 9.9-154.2 -84.3 139.7 -17.6 26.8 -6.6 8 8 A V E +A 28 0A 0 -2,-0.3 128,-0.6 20,-0.2 2,-0.3 -0.978 15.1 177.7-123.4 123.7 -17.8 27.3 -2.8 9 9 A E E +AB 27 135A 24 18,-2.5 18,-2.4 -2,-0.5 2,-0.3 -0.877 11.5 179.2-118.7 159.2 -18.6 24.7 -0.3 10 10 A F E +AB 26 134A 0 124,-2.3 124,-1.3 -2,-0.3 2,-0.3 -0.997 17.0 166.3-156.2 150.5 -18.6 25.1 3.4 11 11 A F E -A 25 0A 24 14,-1.9 14,-2.0 -2,-0.3 2,-0.5 -0.953 36.0-111.7-158.6 167.3 -19.2 23.7 6.9 12 12 A N E -A 24 0A 3 115,-0.4 3,-0.1 118,-0.4 -2,-0.0 -0.884 14.8-154.8 -98.6 125.4 -18.5 24.6 10.5 13 13 A A S S+ 0 0 58 10,-2.5 2,-0.4 -2,-0.5 -1,-0.1 0.750 88.0 36.6 -72.6 -25.4 -16.0 22.4 12.3 14 14 A G + 0 0 14 9,-0.2 9,-0.4 2,-0.1 -1,-0.2 -0.999 65.2 179.9-128.2 129.7 -17.5 23.1 15.7 15 15 A T + 0 0 52 -2,-0.4 2,-0.2 7,-0.1 3,-0.1 0.107 29.4 132.1-123.2 20.1 -21.2 23.5 16.0 16 16 A Q - 0 0 130 1,-0.1 104,-0.3 2,-0.0 -2,-0.1 -0.552 53.3-137.7 -73.0 143.9 -22.0 24.3 19.6 17 17 A A S S+ 0 0 44 -2,-0.2 103,-3.1 1,-0.2 2,-0.8 0.957 97.8 48.2 -65.5 -52.7 -24.4 27.2 20.0 18 18 A Q E S+F 119 0B 125 101,-0.2 2,-0.4 102,-0.1 101,-0.2 -0.830 85.3 156.9 -89.9 109.0 -22.6 28.8 22.9 19 19 A S E -F 118 0B 13 99,-2.0 99,-3.0 -2,-0.8 -5,-0.0 -0.999 48.9-148.6-141.6 137.1 -19.0 28.7 21.6 20 20 A N S S+ 0 0 67 -2,-0.4 92,-0.4 97,-0.2 2,-0.3 0.440 89.6 33.6 -83.0 0.5 -15.8 30.7 22.4 21 21 A S - 0 0 3 90,-0.1 2,-0.4 97,-0.1 90,-0.2 -0.987 68.3-138.6-148.4 157.9 -14.8 30.2 18.7 22 22 A I B -C 110 0A 0 88,-2.2 88,-2.2 -2,-0.3 -7,-0.1 -0.954 16.1-158.1-118.7 140.4 -16.2 30.0 15.3 23 23 A Y - 0 0 70 -9,-0.4 -10,-2.5 -2,-0.4 86,-0.2 -0.579 11.0-174.6-126.2 66.6 -14.7 27.4 13.0 24 24 A P E -A 12 0A 2 0, 0.0 84,-2.2 0, 0.0 2,-0.4 -0.433 1.4-173.5 -70.3 135.3 -15.3 28.1 9.3 25 25 A K E -AD 11 107A 31 -14,-2.0 -14,-1.9 82,-0.2 2,-0.3 -0.986 5.1-175.6-128.1 119.8 -14.1 25.6 6.7 26 26 A F E -AD 10 106A 1 80,-2.6 80,-2.6 -2,-0.4 2,-0.5 -0.875 14.9-160.8-111.3 147.2 -14.3 26.4 3.0 27 27 A R E -AD 9 105A 75 -18,-2.4 -18,-2.5 -2,-0.3 2,-0.5 -0.995 12.9-164.7-123.7 122.9 -13.6 24.3 -0.1 28 28 A L E -AD 8 104A 0 76,-3.0 76,-2.3 -2,-0.5 2,-0.4 -0.933 5.0-170.5-110.5 125.7 -13.0 26.3 -3.2 29 29 A T E -AD 7 103A 31 -22,-2.4 -22,-2.9 -2,-0.5 2,-0.9 -0.966 22.0-141.3-122.2 128.7 -13.1 24.5 -6.6 30 30 A N E -A 6 0A 1 72,-2.9 71,-1.1 -2,-0.4 72,-0.4 -0.805 22.1-177.7 -82.2 107.0 -12.1 25.9 -10.0 31 31 A T + 0 0 71 -26,-2.3 2,-0.2 -2,-0.9 -1,-0.1 0.331 55.6 65.8 -92.1 6.5 -14.9 24.4 -12.1 32 32 A G S S- 0 0 10 -27,-0.5 69,-0.8 2,-0.2 -2,-0.1 -0.490 88.5-103.0-120.3-168.6 -13.5 25.8 -15.4 33 33 A S S S+ 0 0 90 67,-0.2 2,-0.4 -2,-0.2 67,-0.3 0.548 91.4 72.9 -98.4 -10.8 -10.6 25.6 -17.7 34 34 A N S S- 0 0 104 -32,-0.3 -2,-0.2 65,-0.1 67,-0.1 -0.854 85.4-105.4-108.5 145.2 -8.7 28.8 -16.9 35 35 A A - 0 0 63 -2,-0.4 2,-0.5 65,-0.1 64,-0.2 -0.220 27.0-137.8 -62.6 151.9 -6.7 29.4 -13.7 36 36 A I E -G 98 0C 25 62,-2.0 62,-2.9 -31,-0.1 2,-0.8 -0.957 12.5-130.6-113.1 130.8 -8.1 31.7 -11.0 37 37 A N E > -G 97 0C 78 -2,-0.5 3,-1.7 60,-0.2 4,-0.2 -0.698 14.5-160.3 -81.9 109.2 -5.8 34.2 -9.3 38 38 A L G > S+ 0 0 1 58,-1.5 3,-2.1 -2,-0.8 53,-0.4 0.770 82.6 74.6 -65.2 -24.5 -6.4 33.7 -5.6 39 39 A A G 3 S+ 0 0 36 57,-0.4 -1,-0.3 1,-0.3 52,-0.2 0.774 99.4 47.4 -59.8 -22.7 -5.0 37.1 -4.7 40 40 A D G < S+ 0 0 73 -3,-1.7 2,-0.4 52,-0.1 -1,-0.3 0.440 92.8 98.9 -95.0 -0.9 -8.2 38.5 -6.0 41 41 A V < + 0 0 2 -3,-2.1 50,-0.6 -4,-0.2 2,-0.3 -0.734 46.8 179.1 -93.5 133.7 -10.5 36.1 -4.2 42 42 A K E -HI 90 142D 79 100,-1.9 100,-2.4 -2,-0.4 2,-0.4 -0.980 10.4-156.7-129.7 148.4 -12.3 37.1 -0.9 43 43 A L E -HI 89 141D 0 46,-2.0 46,-2.6 -2,-0.3 2,-0.4 -0.934 5.0-153.6-121.7 145.0 -14.7 35.1 1.3 44 44 A H E -HI 88 140D 8 96,-2.7 96,-1.5 -2,-0.4 2,-0.4 -0.970 9.7-172.1-121.5 140.2 -17.3 36.3 3.8 45 45 A Y E -H 87 0D 0 42,-1.9 42,-2.6 -2,-0.4 2,-0.4 -0.996 19.7-152.7-124.1 119.3 -18.8 34.7 6.8 46 46 A Y E +H 86 0D 6 92,-0.5 79,-2.3 -2,-0.4 2,-0.3 -0.761 27.3 143.7-101.5 138.1 -21.7 36.6 8.3 47 47 A F E -H 85 0D 0 38,-2.3 37,-2.3 -2,-0.4 38,-2.2 -0.955 50.7-104.7-158.5 167.7 -22.6 36.5 12.0 48 48 A T - 0 0 13 -2,-0.3 71,-0.4 71,-0.3 74,-0.1 -0.952 29.7-146.0-102.9 128.3 -23.9 38.4 15.0 49 49 A V - 0 0 8 -2,-0.5 -1,-0.1 69,-0.1 71,-0.0 0.738 13.3-146.1 -71.3 -26.0 -21.0 39.0 17.4 50 50 A D S S+ 0 0 66 68,-0.1 -1,-0.1 69,-0.1 -2,-0.0 0.954 84.3 6.5 56.7 56.5 -22.9 38.7 20.7 51 51 A G S S- 0 0 41 67,-0.0 2,-0.1 2,-0.0 65,-0.1 0.599 93.7-114.9 101.4 101.7 -20.8 41.4 22.4 52 52 A D + 0 0 85 60,-0.0 2,-0.3 3,-0.0 -2,-0.0 -0.420 48.4 149.8 -69.9 134.7 -18.3 43.2 20.3 53 53 A K - 0 0 80 -2,-0.1 -2,-0.0 63,-0.0 -4,-0.0 -0.951 57.4 -73.1-149.4 161.7 -14.6 42.7 21.1 54 54 A A - 0 0 69 -2,-0.3 59,-2.5 58,-0.1 2,-0.3 -0.395 58.1-159.6 -50.0 137.8 -11.4 42.7 19.2 55 55 A Q E -E 112 0A 25 57,-0.2 2,-0.4 58,-0.1 57,-0.2 -0.940 11.8-157.4-127.6 153.1 -11.4 39.5 17.1 56 56 A T E -E 111 0A 65 55,-2.2 55,-1.6 -2,-0.3 2,-0.4 -0.992 4.1-153.6-129.6 136.3 -8.6 37.5 15.4 57 57 A F E -E 110 0A 18 14,-0.4 2,-0.4 -2,-0.4 14,-0.3 -0.915 10.7-169.8-104.0 137.7 -8.8 35.0 12.6 58 58 A W E -E 109 0A 89 51,-2.8 51,-2.2 -2,-0.4 2,-0.7 -0.995 15.6-148.9-122.8 131.7 -6.3 32.2 12.2 59 59 A C E -E 108 0A 16 10,-0.4 49,-0.3 -2,-0.4 3,-0.1 -0.889 16.0-177.8 -91.4 114.0 -5.9 30.0 9.2 60 60 A D E + 0 0 72 47,-1.9 2,-0.3 -2,-0.7 6,-0.2 0.818 64.6 4.2 -80.4 -31.8 -4.7 26.7 10.6 61 61 A W E +E 107 0A 109 46,-1.7 46,-2.5 5,-0.1 -1,-0.3 -0.949 57.2 147.9-159.7 133.5 -4.4 25.0 7.2 62 62 A S > - 0 0 6 -2,-0.3 3,-2.4 44,-0.2 4,-0.3 -0.907 46.3-124.7-153.9 143.1 -4.7 25.5 3.5 63 63 A P T 3 S+ 0 0 78 0, 0.0 43,-0.1 0, 0.0 3,-0.0 0.751 112.0 62.2 -56.4 -23.5 -2.8 23.8 0.7 64 64 A V T 3 S- 0 0 26 41,-0.3 42,-0.1 1,-0.1 40,-0.0 0.533 130.1 -83.2 -80.0 -2.5 -1.8 27.3 -0.5 65 65 A G X - 0 0 28 -3,-2.4 3,-2.3 2,-0.1 4,-0.2 0.513 30.5-122.9 100.3 114.1 0.0 27.9 2.8 66 66 A S G > S+ 0 0 46 1,-0.3 3,-1.8 -4,-0.3 -7,-0.2 0.798 109.0 64.1 -60.5 -29.6 -1.8 29.1 5.9 67 67 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.668 96.3 60.6 -68.1 -14.4 0.3 32.2 6.3 68 68 A N G < S+ 0 0 29 -3,-2.3 24,-2.3 -6,-0.1 2,-0.5 0.399 93.4 75.7 -88.3 -0.1 -1.1 33.4 2.9 69 69 A V E < +J 91 0D 6 -3,-1.8 -10,-0.4 22,-0.2 2,-0.3 -0.967 61.4 168.5-120.2 119.4 -4.6 33.4 4.2 70 70 A T E -J 90 0D 85 20,-2.3 20,-2.6 -2,-0.5 2,-0.4 -0.863 17.2-148.9-132.2 163.0 -5.7 36.2 6.5 71 71 A G E -J 89 0D 20 -14,-0.3 -14,-0.4 -2,-0.3 2,-0.3 -0.978 9.5-176.8-136.8 146.5 -8.9 37.6 8.0 72 72 A T E -J 88 0D 77 16,-2.0 16,-3.0 -2,-0.4 2,-0.4 -0.896 23.0-125.6-134.1 164.5 -10.4 40.9 9.0 73 73 A F E -J 87 0D 48 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.947 23.7-177.1-119.1 134.7 -13.7 41.9 10.6 74 74 A V E -J 86 0D 50 12,-2.6 12,-2.5 -2,-0.4 2,-0.3 -0.949 25.1-118.4-129.8 144.4 -16.1 44.4 9.3 75 75 A K E -J 85 0D 112 -2,-0.3 10,-0.3 10,-0.2 2,-0.2 -0.636 25.8-121.7 -81.3 140.3 -19.4 45.8 10.6 76 76 A M E - 0 0 28 8,-2.1 3,-0.3 -2,-0.3 -1,-0.0 -0.534 27.7-134.9 -69.1 145.2 -22.6 45.3 8.7 77 77 A N E S+ 0 0 152 1,-0.6 2,-0.1 -2,-0.2 7,-0.0 -0.806 93.0 15.6-152.1 104.6 -24.3 48.6 8.0 78 78 A P E S- 0 0 105 0, 0.0 -1,-0.6 0, 0.0 2,-0.0 0.586 101.3-128.0 -75.5 164.3 -27.1 48.5 8.5 79 79 A T E - 0 0 89 -3,-0.3 2,-0.3 -2,-0.1 5,-0.2 -0.349 32.6-175.6 -70.5 157.8 -27.2 45.4 10.6 80 80 A T E > -J 83 0D 59 3,-2.4 3,-2.3 -2,-0.0 -4,-0.1 -0.853 38.1 -45.8-144.9-178.7 -29.7 42.8 9.5 81 81 A T T 3 S- 0 0 126 1,-0.3 -1,-0.0 -2,-0.3 43,-0.0 -0.284 124.8 -4.2 -56.6 123.9 -31.1 39.4 10.5 82 82 A G T 3 S+ 0 0 13 41,-0.1 42,-2.8 42,-0.1 2,-0.3 0.474 121.8 82.4 77.3 0.7 -28.3 37.1 11.5 83 83 A A E < + J 0 80D 0 -3,-2.3 -3,-2.4 40,-0.2 -35,-0.3 -0.833 21.2 140.3-150.5 106.0 -25.5 39.6 10.6 84 84 A D E S+ 0 0 45 -37,-2.3 -8,-2.1 -2,-0.3 2,-0.3 0.502 85.2 16.2-110.5 -7.0 -24.0 42.5 12.5 85 85 A Q E -HJ 47 75D 4 -38,-2.2 -38,-2.3 -10,-0.3 2,-0.3 -0.955 63.7-150.1-149.3 164.3 -20.5 41.7 11.3 86 86 A Y E -HJ 46 74D 47 -12,-2.5 -12,-2.6 -2,-0.3 2,-0.5 -0.998 14.4-134.9-136.2 146.7 -18.6 39.7 8.7 87 87 A L E -HJ 45 73D 0 -42,-2.6 -42,-1.9 -2,-0.3 2,-0.5 -0.827 22.1-157.6 -81.5 132.2 -15.2 38.0 8.6 88 88 A E E -HJ 44 72D 47 -16,-3.0 -16,-2.0 -2,-0.5 2,-0.4 -0.978 4.5-159.9-115.7 118.9 -13.5 38.7 5.3 89 89 A I E -HJ 43 71D 2 -46,-2.6 -46,-2.0 -2,-0.5 2,-0.3 -0.842 11.9-176.9 -99.4 136.2 -10.8 36.2 4.3 90 90 A A E -HJ 42 70D 29 -20,-2.6 -20,-2.3 -2,-0.4 2,-0.4 -0.884 17.1-138.7-129.8 158.8 -8.1 37.2 1.7 91 91 A F E - 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