==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELLULOSE-BINDING PROTEIN 01-JUN-12 4FFT . COMPND 2 MOLECULE: EXPANSIN-YOAJ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR N.GEORGELIS,N.H.YENNAWAR,D.J.COSGROVE . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 29.2 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 3 0 0 1 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 2 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 PARALLEL BRIDGES PER LADDER . 0 2 2 7 7 4 0 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 . 0 0 2 2 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 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 2 A A 0 0 17 0, 0.0 105,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -57.8 -26.5 -51.0 -19.8 2 3 A Y + 0 0 127 1,-0.5 2,-0.3 103,-0.1 104,-0.1 0.851 360.0 5.0 -82.4 -55.8 -30.1 -51.7 -18.6 3 4 A D S S+ 0 0 136 102,-0.1 -1,-0.5 2,-0.0 2,-0.3 -0.976 81.8 133.9-127.0 152.7 -31.2 -50.6 -22.0 4 5 A D - 0 0 47 -2,-0.3 2,-0.3 -3,-0.2 0, 0.0 -0.928 25.1-160.8 179.5 158.2 -29.1 -49.5 -25.0 5 6 A L - 0 0 109 -2,-0.3 2,-0.3 98,-0.0 98,-0.2 -0.927 7.4-180.0-164.2 139.1 -29.1 -50.3 -28.7 6 7 A H E -A 102 0A 44 96,-1.8 96,-2.2 -2,-0.3 2,-0.4 -0.997 12.0-154.2-138.1 142.3 -26.6 -50.0 -31.7 7 8 A E E +A 101 0A 136 -2,-0.3 2,-0.3 94,-0.2 94,-0.2 -0.939 41.4 102.1-112.4 143.6 -27.0 -50.8 -35.3 8 9 A G E -A 100 0A 12 92,-2.1 92,-3.1 -2,-0.4 2,-0.3 -0.951 59.9 -67.6-179.6-157.3 -24.0 -51.8 -37.5 9 10 A Y E -A 99 0A 114 -2,-0.3 71,-2.1 90,-0.2 2,-0.4 -0.922 30.2-154.2-123.2 149.3 -22.0 -54.5 -39.2 10 11 A A E +Ab 98 80A 1 88,-2.5 88,-2.0 -2,-0.3 2,-0.2 -0.946 13.3 172.8-117.4 143.3 -19.9 -57.3 -37.9 11 12 A T E - b 0 81A 38 69,-1.9 71,-2.1 -2,-0.4 2,-0.3 -0.586 29.9-117.6-118.1-167.4 -17.0 -59.2 -39.5 12 13 A Y E + b 0 82A 76 84,-0.3 2,-0.3 69,-0.2 71,-0.2 -0.984 27.0 176.1-140.8 155.9 -14.8 -61.8 -37.7 13 14 A T - 0 0 34 69,-2.3 22,-0.0 -2,-0.3 68,-0.0 -0.943 34.0-135.7-149.9 159.9 -11.2 -62.2 -36.6 14 15 A G S S+ 0 0 59 -2,-0.3 3,-0.5 69,-0.2 69,-0.1 0.437 78.2 96.3 -98.6 -3.7 -8.9 -64.6 -34.7 15 16 A S + 0 0 62 1,-0.2 -2,-0.1 2,-0.1 4,-0.1 -0.204 53.7 59.2 -80.5 173.0 -7.1 -61.8 -32.9 16 17 A G S S+ 0 0 5 2,-0.5 4,-0.2 53,-0.1 -1,-0.2 0.299 74.9 93.3 96.0 -8.9 -7.9 -60.4 -29.4 17 18 A Y S S+ 0 0 42 -3,-0.5 10,-0.7 1,-0.3 2,-0.4 0.829 99.2 21.7 -80.0 -33.8 -7.3 -63.5 -27.3 18 19 A S S S+ 0 0 98 8,-0.1 -2,-0.5 7,-0.1 -1,-0.3 -0.999 131.1 9.4-135.4 131.8 -3.7 -62.6 -26.7 19 20 A G S S+ 0 0 64 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.698 78.4 163.6 77.6 17.3 -2.1 -59.2 -26.9 20 21 A G > - 0 0 3 -4,-0.2 3,-1.7 1,-0.1 5,-0.2 -0.277 51.9-107.7 -65.8 156.9 -5.3 -57.2 -27.3 21 22 A A T 3 S+ 0 0 38 1,-0.3 49,-0.2 50,-0.1 -1,-0.1 0.762 113.6 62.3 -61.3 -22.9 -5.2 -53.5 -26.7 22 23 A F T 3 S- 0 0 1 47,-1.2 -1,-0.3 135,-0.0 48,-0.1 0.418 98.6-130.7 -90.9 4.4 -7.0 -53.7 -23.4 23 24 A L < + 0 0 56 -3,-1.7 -2,-0.1 46,-0.2 47,-0.1 0.901 59.2 141.9 50.5 47.9 -4.5 -55.9 -21.6 24 25 A L + 0 0 4 45,-0.3 -1,-0.1 -4,-0.1 -3,-0.1 0.305 36.1 172.6-101.6 7.7 -7.2 -58.3 -20.5 25 26 A D + 0 0 54 -5,-0.2 2,-0.1 44,-0.1 -7,-0.1 -0.240 43.8 57.2 -59.8 152.1 -5.0 -61.5 -20.9 26 27 A P + 0 0 118 0, 0.0 -8,-0.1 0, 0.0 -9,-0.0 0.509 65.1 170.8 -83.7 146.1 -5.3 -64.3 -20.3 27 28 A I - 0 0 17 -10,-0.7 -2,-0.1 -2,-0.1 6,-0.0 -0.977 40.4-110.1-118.0 127.4 -8.5 -65.0 -22.2 28 29 A P > - 0 0 79 0, 0.0 3,-2.3 0, 0.0 -3,-0.0 -0.377 26.4-124.8 -62.2 139.7 -9.6 -68.6 -22.6 29 30 A S T 3 S+ 0 0 102 1,-0.3 -12,-0.0 3,-0.0 -11,-0.0 0.642 108.5 47.1 -64.4 -17.3 -9.3 -69.6 -26.3 30 31 A D T 3 S+ 0 0 125 2,-0.1 -1,-0.3 55,-0.0 2,-0.2 0.162 84.0 119.5-109.9 17.8 -12.9 -70.7 -26.6 31 32 A M S < S- 0 0 45 -3,-2.3 2,-0.7 1,-0.1 54,-0.2 -0.555 71.8-114.8 -73.7 147.2 -14.4 -67.6 -24.9 32 33 A E + 0 0 38 -2,-0.2 35,-2.3 33,-0.1 2,-0.2 -0.778 52.5 160.5 -84.2 117.5 -16.7 -65.5 -27.0 33 34 A I E -c 67 0A 2 -2,-0.7 50,-2.4 33,-0.3 2,-0.3 -0.773 23.4-161.0-133.1 172.0 -15.1 -62.2 -27.6 34 35 A T E -cD 68 82A 2 33,-2.0 35,-1.9 48,-0.2 36,-1.1 -0.989 17.6-133.4-150.8 154.6 -15.1 -59.1 -29.9 35 36 A A E -cD 70 81A 5 46,-2.0 46,-2.4 -2,-0.3 2,-0.4 -0.835 32.0-144.3 -99.7 152.9 -13.0 -56.2 -31.0 36 37 A I E -cD 71 80A 0 34,-2.3 36,-2.4 -2,-0.3 44,-0.2 -0.958 14.7-106.8-129.1 137.8 -14.9 -52.8 -31.0 37 38 A N > - 0 0 0 42,-1.9 4,-1.9 -2,-0.4 5,-0.1 -0.147 34.7-116.3 -53.7 152.1 -14.7 -49.8 -33.2 38 39 A P H > S+ 0 0 42 0, 0.0 4,-2.4 0, 0.0 10,-0.2 0.866 107.8 58.3 -64.5 -41.8 -13.1 -46.7 -31.7 39 40 A A H 4 S+ 0 0 37 36,-0.3 38,-0.1 1,-0.2 37,-0.1 0.936 115.0 36.6 -56.8 -47.8 -16.1 -44.3 -31.7 40 41 A D H >4 S+ 0 0 9 1,-0.2 3,-1.1 36,-0.1 -1,-0.2 0.807 112.6 59.7 -75.6 -30.6 -18.1 -46.7 -29.5 41 42 A L H 3< S+ 0 0 5 -4,-1.9 9,-1.9 1,-0.3 8,-0.6 0.937 106.0 47.8 -56.7 -48.9 -15.1 -47.8 -27.4 42 43 A N T >< S+ 0 0 51 -4,-2.4 3,-1.5 6,-0.2 -1,-0.3 -0.129 84.7 171.3 -91.0 37.4 -14.5 -44.3 -26.3 43 44 A Y G X + 0 0 126 -3,-1.1 3,-2.0 1,-0.3 6,-0.1 -0.080 66.0 10.6 -46.1 140.9 -18.1 -43.6 -25.3 44 45 A G G 3 S- 0 0 65 1,-0.3 -1,-0.3 5,-0.0 3,-0.1 0.700 130.8 -68.1 58.7 21.6 -18.7 -40.3 -23.4 45 46 A G G < S+ 0 0 74 -3,-1.5 2,-0.7 1,-0.2 -1,-0.3 0.595 101.5 131.0 75.8 9.5 -15.2 -39.2 -24.2 46 47 A V X - 0 0 31 -3,-2.0 3,-1.8 -4,-0.2 -1,-0.2 -0.870 60.7-124.9 -97.9 118.8 -13.6 -41.8 -21.9 47 48 A K T 3 S+ 0 0 63 -2,-0.7 -5,-0.1 106,-0.5 4,-0.0 -0.399 94.5 2.2 -60.9 130.9 -10.8 -43.7 -23.6 48 49 A A T > S+ 0 0 0 -10,-0.2 3,-1.3 -2,-0.1 -1,-0.3 0.808 82.7 155.6 59.7 32.1 -11.5 -47.5 -23.5 49 50 A A T < S+ 0 0 0 -3,-1.8 88,-0.4 -8,-0.6 -7,-0.2 0.896 75.7 39.4 -51.2 -43.3 -14.9 -46.8 -21.8 50 51 A L T > S+ 0 0 5 -9,-1.9 3,-1.9 -4,-0.2 -1,-0.3 0.292 83.0 128.5 -97.0 8.1 -16.2 -50.1 -23.1 51 52 A A T < S+ 0 0 0 -3,-1.3 86,-0.4 1,-0.3 18,-0.2 -0.458 82.5 12.8 -62.3 131.5 -13.1 -52.2 -22.6 52 53 A G T 3 S+ 0 0 2 16,-2.4 81,-0.3 1,-0.2 -1,-0.3 0.631 100.1 131.3 74.1 11.8 -14.0 -55.3 -20.7 53 54 A S < - 0 0 2 -3,-1.9 15,-2.7 15,-0.2 2,-0.4 -0.374 54.7-125.9 -82.4 171.0 -17.7 -54.7 -21.2 54 55 A Y E -EF 67 105A 27 51,-0.6 51,-2.6 13,-0.2 2,-0.4 -0.984 22.1-163.4-120.4 137.8 -20.0 -57.4 -22.4 55 56 A L E -EF 66 104A 0 11,-2.9 11,-3.0 -2,-0.4 2,-0.5 -0.935 15.9-142.8-118.1 140.8 -22.3 -57.0 -25.5 56 57 A E E -EF 65 103A 50 47,-2.5 47,-1.5 -2,-0.4 2,-0.5 -0.903 28.1-163.6 -93.7 130.3 -25.3 -58.9 -26.6 57 58 A V E -EF 64 102A 0 7,-3.7 7,-1.8 -2,-0.5 2,-0.5 -0.954 10.0-158.9-123.4 130.5 -25.2 -59.1 -30.4 58 59 A E E +EF 63 101A 79 43,-3.8 43,-1.8 -2,-0.5 5,-0.2 -0.913 17.7 165.7-110.1 127.0 -28.0 -60.0 -32.8 59 60 A G E > -E 62 0A 10 3,-2.7 3,-1.0 -2,-0.5 32,-0.2 -0.613 56.5 -77.2-118.6-175.2 -27.3 -61.2 -36.3 60 61 A P T 3 S+ 0 0 96 0, 0.0 31,-0.2 0, 0.0 3,-0.1 0.778 128.5 41.3 -49.9 -33.7 -29.5 -62.9 -38.9 61 62 A K T 3 S- 0 0 140 29,-2.9 2,-0.3 1,-0.2 30,-0.2 0.459 122.8 -65.0-105.7 -2.3 -29.3 -66.3 -37.2 62 63 A G E < - E 0 59A 28 -3,-1.0 -3,-2.7 28,-0.6 2,-0.3 -0.990 54.8 -67.8 154.6-161.0 -29.7 -65.4 -33.5 63 64 A K E + E 0 58A 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.943 37.1 168.8-130.3 152.0 -28.1 -63.6 -30.5 64 65 A T E - E 0 57A 13 -7,-1.8 -7,-3.7 -2,-0.3 2,-0.4 -0.957 29.1-117.4-154.4 168.1 -25.1 -64.2 -28.4 65 66 A T E - E 0 56A 49 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.922 28.7-169.4-116.5 136.6 -23.0 -62.4 -25.8 66 67 A V E - E 0 55A 0 -11,-3.0 -11,-2.9 -2,-0.4 2,-0.4 -0.953 21.1-129.4-132.7 151.2 -19.4 -61.3 -26.2 67 68 A Y E -cE 33 54A 23 -35,-2.3 -33,-2.0 -2,-0.3 2,-0.8 -0.801 27.2-128.9 -97.3 128.2 -16.6 -60.0 -24.0 68 69 A V E +c 34 0A 0 -15,-2.7 -16,-2.4 -2,-0.4 -15,-0.2 -0.689 44.6 151.0 -86.0 107.6 -14.8 -56.8 -25.4 69 70 A T E + 0 0 2 -35,-1.9 -47,-1.2 -2,-0.8 -45,-0.3 0.569 53.6 31.3-111.9 -12.0 -11.1 -57.5 -25.4 70 71 A D E S-c 35 0A 26 -36,-1.1 -34,-2.3 -49,-0.2 2,-0.3 -0.947 71.8-101.9-151.0 160.7 -9.7 -55.4 -28.2 71 72 A L E -c 36 0A 56 -2,-0.3 -34,-0.2 -36,-0.2 -50,-0.1 -0.681 18.4-152.1 -83.7 137.6 -9.8 -52.3 -30.4 72 73 A Y > - 0 0 30 -36,-2.4 3,-2.1 -2,-0.3 -31,-0.1 -0.789 18.9-172.6-105.7 81.6 -11.2 -52.6 -34.0 73 74 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -36,-0.0 0.716 77.9 40.0 -57.4 -30.7 -9.1 -49.7 -35.4 74 75 A E T 3 S+ 0 0 140 -3,-0.1 2,-0.1 -37,-0.1 -37,-0.1 0.435 87.6 119.6 -98.1 -1.0 -10.7 -49.6 -38.8 75 76 A G < - 0 0 10 -3,-2.1 -36,-0.3 4,-0.1 3,-0.1 -0.378 54.3-138.8 -71.7 140.6 -14.3 -50.1 -37.7 76 77 A A > - 0 0 71 1,-0.2 3,-2.4 -39,-0.1 -39,-0.2 -0.279 51.0 -53.2 -80.4 177.6 -17.0 -47.5 -38.4 77 78 A R T 3 S+ 0 0 182 1,-0.3 -68,-0.2 -38,-0.1 -1,-0.2 -0.246 130.8 12.0 -49.3 134.5 -19.7 -46.4 -35.9 78 79 A G T 3 S+ 0 0 3 1,-0.2 -1,-0.3 -70,-0.1 2,-0.2 0.336 96.5 137.6 78.6 -8.7 -21.6 -49.5 -34.7 79 80 A A < - 0 0 10 -3,-2.4 -42,-1.9 -71,-0.2 2,-0.3 -0.511 29.1-175.2 -82.6 140.1 -19.0 -51.9 -36.2 80 81 A L E -bD 10 36A 0 -71,-2.1 -69,-1.9 -2,-0.2 2,-0.5 -0.935 21.2-149.9-127.2 151.8 -17.8 -55.1 -34.3 81 82 A D E -bD 11 35A 16 -46,-2.4 -46,-2.0 -2,-0.3 -69,-0.2 -0.845 29.8-164.4-123.4 94.4 -15.1 -57.7 -35.1 82 83 A L E -bD 12 34A 0 -71,-2.1 -69,-2.3 -2,-0.5 -48,-0.2 -0.263 24.6-105.3 -80.4 157.6 -16.3 -60.9 -33.5 83 84 A S >> - 0 0 2 -50,-2.4 4,-2.5 -71,-0.2 3,-0.8 -0.517 39.1-113.3 -72.7 154.4 -14.5 -64.1 -32.7 84 85 A P H 3> S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.824 115.3 58.1 -66.1 -28.0 -15.5 -66.9 -35.1 85 86 A N H 3> S+ 0 0 51 2,-0.2 4,-0.6 1,-0.2 -53,-0.1 0.823 112.4 41.8 -67.9 -29.2 -17.3 -69.0 -32.4 86 87 A A H X> S+ 0 0 0 -3,-0.8 4,-0.7 -53,-0.2 3,-0.6 0.890 113.0 51.7 -80.3 -41.8 -19.5 -66.0 -31.7 87 88 A F H >X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-1.1 0.890 103.5 61.7 -60.1 -39.0 -20.1 -65.0 -35.3 88 89 A R H 3< S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 99.9 53.5 -56.3 -37.8 -21.1 -68.6 -36.0 89 90 A K H << S+ 0 0 120 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.719 121.8 26.9 -73.7 -21.1 -24.0 -68.4 -33.6 90 91 A I H << S+ 0 0 0 -3,-1.1 -29,-2.9 -4,-0.7 -28,-0.6 0.495 122.8 26.3-122.4 -6.0 -25.5 -65.3 -35.2 91 92 A G S < S- 0 0 1 -4,-2.1 2,-0.6 -31,-0.2 -1,-0.1 -0.943 81.8 -87.1-152.3 169.9 -24.4 -65.4 -38.8 92 93 A N > - 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