==== 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 CRYSTALLINE CELLULOSE-BINDING PROTEIN 18-JUL-11 3ZUC . 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) . 7090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 62.1 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 . 60 39.2 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 . 16 10.5 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 0 3 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 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.7 -19.2 33.5 -18.3 2 2 A S + 0 0 70 30,-0.0 3,-0.3 31,-0.0 32,-0.3 0.129 360.0 80.5-172.0 1.5 -16.0 31.6 -17.6 3 3 A H S S+ 0 0 105 1,-0.2 29,-0.0 29,-0.1 0, 0.0 0.390 93.5 44.8-104.6 2.3 -14.1 34.1 -15.5 4 4 A M + 0 0 68 139,-0.1 2,-2.2 32,-0.0 -1,-0.2 -0.132 65.5 143.2-135.2 42.6 -15.9 33.4 -12.2 5 5 A N + 0 0 45 -3,-0.3 26,-2.4 29,-0.1 2,-0.6 -0.358 25.0 134.2 -85.0 59.1 -16.0 29.7 -12.1 6 6 A L E -A 30 0A 7 -2,-2.2 2,-0.3 24,-0.2 24,-0.2 -0.941 38.5-162.1-112.0 109.7 -15.4 29.4 -8.4 7 7 A K E -A 29 0A 74 22,-2.8 22,-2.3 -2,-0.6 2,-0.5 -0.712 9.7-153.8 -84.8 143.1 -17.7 27.0 -6.6 8 8 A V E +A 28 0A 0 -2,-0.3 128,-0.9 20,-0.2 2,-0.3 -0.982 15.2 177.5-125.4 122.5 -17.8 27.5 -2.8 9 9 A E E +AB 27 135A 24 18,-2.6 18,-2.4 -2,-0.5 2,-0.3 -0.871 12.0 178.9-117.2 161.0 -18.7 24.8 -0.3 10 10 A F E +AB 26 134A 0 124,-2.3 124,-1.3 -2,-0.3 2,-0.3 -0.996 17.3 167.1-157.2 150.7 -18.7 25.2 3.5 11 11 A F E -A 25 0A 25 14,-1.9 14,-1.9 -2,-0.3 2,-0.5 -0.951 35.7-112.1-158.4 167.3 -19.3 23.8 6.9 12 12 A N E -A 24 0A 3 115,-0.4 3,-0.1 118,-0.4 -2,-0.0 -0.879 15.0-154.7 -98.3 125.7 -18.6 24.7 10.5 13 13 A A S S+ 0 0 59 10,-2.6 2,-0.4 -2,-0.5 -1,-0.1 0.755 87.7 36.7 -72.8 -25.0 -16.0 22.5 12.3 14 14 A G - 0 0 14 9,-0.2 9,-0.4 2,-0.1 -1,-0.2 -1.000 64.9-179.7-127.9 129.9 -17.5 23.2 15.7 15 15 A T + 0 0 54 -2,-0.4 2,-0.2 7,-0.1 3,-0.1 0.130 29.5 132.7-122.3 19.5 -21.3 23.6 16.1 16 16 A Q - 0 0 131 1,-0.1 104,-0.3 2,-0.0 -2,-0.1 -0.525 52.6-138.6 -71.6 143.3 -22.0 24.4 19.7 17 17 A A S S+ 0 0 44 -2,-0.2 103,-3.0 1,-0.2 2,-0.9 0.957 97.5 48.0 -66.3 -52.0 -24.4 27.3 20.0 18 18 A Q E S+F 119 0B 124 101,-0.2 2,-0.4 102,-0.1 101,-0.2 -0.836 85.6 156.7 -91.0 107.8 -22.6 28.9 23.0 19 19 A S E -F 118 0B 12 99,-2.0 99,-3.0 -2,-0.9 -5,-0.0 -0.998 49.1-148.4-140.7 138.1 -19.0 28.8 21.7 20 20 A N S S+ 0 0 66 -2,-0.4 92,-0.5 97,-0.2 2,-0.3 0.458 89.7 33.8 -83.7 0.6 -15.8 30.8 22.4 21 21 A S - 0 0 4 90,-0.1 2,-0.4 97,-0.1 90,-0.2 -0.987 68.3-138.8-148.5 157.6 -14.8 30.4 18.8 22 22 A I B -C 110 0A 0 88,-2.2 88,-2.0 -2,-0.3 -7,-0.1 -0.950 16.0-158.3-118.7 140.6 -16.2 30.1 15.3 23 23 A Y - 0 0 70 -9,-0.4 -10,-2.6 -2,-0.4 -9,-0.2 -0.585 10.9-174.8-126.2 67.2 -14.7 27.5 13.0 24 24 A P E -A 12 0A 1 0, 0.0 84,-2.4 0, 0.0 2,-0.4 -0.444 1.7-173.0 -71.1 135.8 -15.3 28.2 9.3 25 25 A K E -AD 11 107A 32 -14,-1.9 -14,-1.9 82,-0.2 2,-0.4 -0.986 5.2-175.5-127.7 120.7 -14.2 25.7 6.7 26 26 A F E -AD 10 106A 1 80,-2.6 80,-2.6 -2,-0.4 2,-0.5 -0.877 14.7-161.0-112.0 146.8 -14.4 26.5 3.0 27 27 A R E -AD 9 105A 75 -18,-2.4 -18,-2.6 -2,-0.4 2,-0.5 -0.994 13.2-164.3-123.4 122.9 -13.7 24.4 -0.0 28 28 A L E -AD 8 104A 0 76,-2.9 76,-2.3 -2,-0.5 2,-0.4 -0.930 4.9-170.3-110.0 127.0 -13.1 26.4 -3.2 29 29 A T E -AD 7 103A 30 -22,-2.3 -22,-2.8 -2,-0.5 2,-0.9 -0.966 21.2-141.6-122.5 128.6 -13.2 24.6 -6.6 30 30 A N E +AD 6 102A 1 72,-2.8 71,-1.4 -2,-0.4 72,-0.5 -0.810 21.9 179.8 -82.9 106.6 -12.2 26.1 -9.9 31 31 A T + 0 0 72 -26,-2.4 2,-0.1 -2,-0.9 -1,-0.1 0.313 55.1 74.9 -92.3 6.3 -14.9 24.6 -12.2 32 32 A G S S- 0 0 8 -27,-0.6 69,-0.7 2,-0.2 4,-0.1 -0.430 86.4-111.4-110.4-171.9 -13.6 26.2 -15.3 33 33 A S S S+ 0 0 91 67,-0.2 2,-0.4 -2,-0.1 67,-0.3 0.533 91.2 73.6-101.1 -8.9 -10.7 25.7 -17.7 34 34 A N S S- 0 0 102 -32,-0.3 -2,-0.2 65,-0.1 67,-0.1 -0.853 87.1-105.3-109.6 143.8 -8.7 28.9 -16.9 35 35 A A - 0 0 63 -2,-0.4 2,-0.5 65,-0.1 64,-0.2 -0.248 28.5-135.6 -63.5 151.0 -6.7 29.4 -13.7 36 36 A I E -G 98 0C 25 62,-2.1 62,-2.7 -4,-0.1 2,-0.9 -0.938 11.2-130.8-110.3 130.5 -8.0 31.7 -11.0 37 37 A N E > -G 97 0C 80 -2,-0.5 3,-1.7 60,-0.2 4,-0.2 -0.694 15.2-160.5 -80.5 108.2 -5.8 34.2 -9.3 38 38 A L G > S+ 0 0 0 58,-1.6 3,-2.1 -2,-0.9 53,-0.4 0.769 81.9 74.5 -65.3 -24.6 -6.4 33.7 -5.6 39 39 A A G 3 S+ 0 0 35 57,-0.4 -1,-0.3 1,-0.3 52,-0.2 0.765 98.5 48.3 -59.7 -22.7 -5.0 37.1 -4.7 40 40 A D G < S+ 0 0 74 -3,-1.7 2,-0.4 52,-0.1 -1,-0.3 0.449 92.9 98.6 -94.7 -0.6 -8.2 38.6 -6.0 41 41 A V < + 0 0 4 -3,-2.1 50,-0.6 -4,-0.2 2,-0.3 -0.730 47.0 179.3 -93.9 134.5 -10.5 36.2 -4.2 42 42 A K E -HI 90 142D 80 100,-1.9 100,-2.4 -2,-0.4 2,-0.4 -0.980 10.3-156.7-130.3 148.6 -12.3 37.2 -0.9 43 43 A L E -HI 89 141D 0 46,-1.9 46,-2.6 -2,-0.3 2,-0.4 -0.932 4.9-153.9-122.2 144.2 -14.7 35.2 1.3 44 44 A H E -HI 88 140D 9 96,-2.7 96,-1.5 -2,-0.4 2,-0.4 -0.970 9.4-171.8-120.8 140.9 -17.3 36.5 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 19.6-152.3-124.2 119.2 -18.8 34.8 6.9 46 46 A Y E +H 86 0D 6 92,-0.5 79,-2.3 -2,-0.4 2,-0.3 -0.758 27.3 143.7-101.4 138.2 -21.7 36.8 8.4 47 47 A F E -H 85 0D 0 38,-2.3 37,-2.2 -2,-0.4 38,-2.2 -0.956 50.6-104.4-158.0 168.8 -22.6 36.7 12.0 48 48 A T - 0 0 14 -2,-0.3 71,-0.4 71,-0.3 74,-0.1 -0.952 29.5-146.4-103.7 126.9 -23.9 38.5 15.1 49 49 A V - 0 0 8 -2,-0.5 -1,-0.1 69,-0.1 71,-0.0 0.746 12.9-147.9 -70.4 -26.5 -21.0 39.2 17.4 50 50 A D S S+ 0 0 66 68,-0.1 -1,-0.1 69,-0.0 -2,-0.0 0.956 84.2 8.5 56.3 56.9 -23.0 38.9 20.7 51 51 A G S S- 0 0 41 67,-0.0 2,-0.2 2,-0.0 65,-0.1 0.601 94.0-117.0 102.0 99.4 -20.8 41.4 22.5 52 52 A D + 0 0 83 60,-0.0 2,-0.3 3,-0.0 -2,-0.0 -0.450 47.9 150.4 -71.3 132.6 -18.4 43.3 20.3 53 53 A K - 0 0 79 -2,-0.2 -2,-0.0 63,-0.0 -4,-0.0 -0.955 57.2 -74.2-148.2 159.8 -14.7 42.8 21.1 54 54 A A - 0 0 70 -2,-0.3 59,-2.6 58,-0.1 2,-0.3 -0.396 57.8-158.4 -49.1 136.3 -11.4 42.9 19.1 55 55 A Q E -E 112 0A 25 57,-0.2 2,-0.4 58,-0.1 57,-0.2 -0.930 11.7-157.3-125.6 153.3 -11.4 39.6 17.1 56 56 A T E -E 111 0A 66 55,-2.1 55,-1.6 -2,-0.3 2,-0.4 -0.992 4.2-153.5-129.2 136.2 -8.6 37.6 15.5 57 57 A F E -E 110 0A 18 14,-0.4 2,-0.4 -2,-0.4 14,-0.3 -0.919 10.4-170.1-103.8 137.5 -8.8 35.1 12.6 58 58 A W E -E 109 0A 89 51,-2.7 51,-2.2 -2,-0.4 2,-0.7 -0.993 15.9-148.5-122.9 131.7 -6.3 32.3 12.2 59 59 A C E -E 108 0A 16 -2,-0.4 49,-0.3 10,-0.4 3,-0.1 -0.898 15.9-177.3 -91.4 115.2 -6.0 30.1 9.2 60 60 A D E + 0 0 71 47,-1.9 2,-0.3 -2,-0.7 6,-0.2 0.817 64.7 2.7 -81.5 -31.9 -4.8 26.8 10.6 61 61 A W E +E 107 0A 111 46,-1.7 46,-2.5 -3,-0.1 -1,-0.3 -0.949 57.4 148.9-160.1 134.6 -4.4 25.1 7.3 62 62 A S > - 0 0 6 -2,-0.3 3,-2.4 44,-0.2 4,-0.3 -0.907 46.3-124.1-153.7 145.0 -4.8 25.6 3.6 63 63 A P T 3 S+ 0 0 79 0, 0.0 43,-0.1 0, 0.0 3,-0.0 0.763 111.9 62.4 -56.1 -25.3 -2.8 23.9 0.8 64 64 A V T 3 S- 0 0 23 41,-0.3 42,-0.1 1,-0.1 40,-0.0 0.540 130.1 -82.8 -79.0 -4.1 -1.8 27.4 -0.4 65 65 A G X - 0 0 28 -3,-2.4 3,-2.3 2,-0.1 4,-0.2 0.509 31.0-122.6 101.6 112.8 0.0 28.0 2.9 66 66 A S G > S+ 0 0 47 -4,-0.3 3,-1.8 1,-0.3 -7,-0.2 0.801 109.3 63.5 -58.5 -31.1 -1.9 29.2 5.9 67 67 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.679 96.4 60.7 -67.6 -14.7 0.3 32.3 6.3 68 68 A N G < S+ 0 0 29 -3,-2.3 24,-2.3 -6,-0.1 2,-0.5 0.405 93.4 75.9 -88.4 0.4 -1.1 33.5 2.9 69 69 A V E < +J 91 0D 6 -3,-1.8 -10,-0.4 22,-0.2 2,-0.3 -0.966 61.6 169.1-119.8 118.0 -4.7 33.5 4.2 70 70 A T E -J 90 0D 84 20,-2.3 20,-2.6 -2,-0.5 2,-0.4 -0.868 17.0-149.1-130.4 162.3 -5.7 36.3 6.5 71 71 A G E -J 89 0D 20 -14,-0.3 -14,-0.4 -2,-0.3 2,-0.3 -0.979 9.7-177.4-136.0 146.8 -8.9 37.7 8.0 72 72 A T E -J 88 0D 78 16,-2.1 16,-2.9 -2,-0.4 2,-0.4 -0.891 23.1-125.5-134.3 164.4 -10.4 41.0 9.1 73 73 A F E -J 87 0D 49 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.948 23.4-176.7-119.3 135.6 -13.7 42.0 10.6 74 74 A V E -J 86 0D 50 12,-2.6 12,-2.5 -2,-0.4 2,-0.3 -0.956 24.9-119.3-130.7 142.9 -16.1 44.6 9.3 75 75 A K E -J 85 0D 116 -2,-0.3 10,-0.3 10,-0.2 2,-0.2 -0.641 26.2-121.8 -80.5 139.5 -19.4 45.9 10.7 76 76 A M E - 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