==== 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 02-JUN-12 4FG2 . 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) . 20129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 60.1 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 . 29 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.9 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 2 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 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 6 9 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 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 16 0, 0.0 105,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -72.7 -2.9 -32.6 20.0 2 3 A Y + 0 0 129 1,-0.4 2,-0.4 103,-0.1 104,-0.1 0.976 360.0 2.3 -65.0 -61.3 -1.7 -35.9 18.7 3 4 A D S S+ 0 0 140 102,-0.1 -1,-0.4 2,-0.0 2,-0.3 -0.985 83.9 137.6-126.0 148.5 -0.2 -36.5 22.1 4 5 A D - 0 0 48 -2,-0.4 2,-0.3 -3,-0.2 99,-0.0 -0.935 25.0-159.0-174.4 159.3 -0.4 -34.2 25.1 5 6 A L + 0 0 100 -2,-0.3 2,-0.4 2,-0.0 98,-0.2 -0.929 7.5 179.8-160.0 135.3 -0.9 -34.5 28.8 6 7 A H E -A 102 0A 39 96,-1.8 96,-2.3 -2,-0.3 2,-0.4 -1.000 11.2-156.3-136.1 138.4 -2.0 -32.3 31.7 7 8 A E E +A 101 0A 138 -2,-0.4 2,-0.3 94,-0.2 94,-0.2 -0.899 41.1 98.7-109.7 145.4 -2.5 -33.0 35.4 8 9 A G E -A 100 0A 13 92,-2.0 92,-2.9 -2,-0.4 2,-0.4 -0.964 61.1 -65.6 175.0-158.9 -4.8 -30.9 37.6 9 10 A Y E -A 99 0A 118 -2,-0.3 71,-2.2 90,-0.2 2,-0.4 -0.954 29.7-154.6-125.2 144.0 -8.2 -30.5 39.3 10 11 A A E +Ab 98 80A 1 88,-2.4 88,-2.2 -2,-0.4 2,-0.2 -0.893 13.3 172.5-109.4 146.9 -11.7 -30.2 38.0 11 12 A T E - b 0 81A 38 69,-1.5 71,-2.4 -2,-0.4 2,-0.3 -0.661 31.1-113.0-123.6-169.9 -14.8 -28.6 39.6 12 13 A Y E + b 0 82A 77 84,-0.3 2,-0.3 69,-0.2 71,-0.2 -0.971 28.3 178.3-135.1 151.8 -18.2 -28.0 37.9 13 14 A T - 0 0 33 69,-3.0 68,-0.0 -2,-0.3 -2,-0.0 -0.946 30.8-140.9-144.1 158.4 -20.2 -25.0 36.9 14 15 A G S S+ 0 0 60 -2,-0.3 3,-0.5 69,-0.2 69,-0.1 0.519 78.0 89.4 -98.4 -10.7 -23.5 -24.2 35.1 15 16 A S + 0 0 67 1,-0.2 -2,-0.1 2,-0.1 4,-0.1 -0.145 54.3 65.9 -77.7 177.5 -22.1 -21.3 33.2 16 17 A G S S+ 0 0 5 2,-0.6 4,-0.2 53,-0.1 -1,-0.2 0.223 72.5 94.2 98.5 -15.0 -20.4 -21.3 29.7 17 18 A Y S S+ 0 0 45 -3,-0.5 10,-1.0 1,-0.2 2,-0.3 0.773 99.7 15.1 -77.2 -30.2 -23.4 -22.3 27.6 18 19 A S S S+ 0 0 96 8,-0.1 -2,-0.6 7,-0.1 -1,-0.2 -0.991 130.6 16.6-141.5 144.0 -24.3 -18.8 26.8 19 20 A G S S+ 0 0 63 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 0.581 78.5 160.8 72.4 8.4 -22.3 -15.6 27.2 20 21 A G > - 0 0 2 -4,-0.2 3,-1.6 1,-0.1 5,-0.2 -0.194 53.1-110.0 -58.3 155.1 -19.0 -17.5 27.6 21 22 A A T 3 S+ 0 0 39 1,-0.3 49,-0.2 50,-0.1 -1,-0.1 0.768 113.8 61.3 -62.7 -23.8 -15.8 -15.4 27.0 22 23 A F T 3 S- 0 0 0 47,-1.4 -1,-0.3 135,-0.1 48,-0.1 0.451 100.2-131.4 -88.3 4.6 -15.0 -17.2 23.7 23 24 A L < + 0 0 57 -3,-1.6 -2,-0.1 46,-0.2 47,-0.1 0.894 56.4 146.1 49.1 49.0 -18.3 -16.1 22.0 24 25 A L + 0 0 4 45,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.279 34.5 176.0 -99.4 10.1 -19.0 -19.6 20.8 25 26 A D + 0 0 54 -5,-0.2 -7,-0.1 44,-0.1 2,-0.1 -0.269 46.3 54.5 -61.0 149.5 -22.8 -19.3 21.2 26 27 A P + 0 0 117 0, 0.0 -8,-0.1 0, 0.0 -1,-0.1 0.450 65.3 175.3 -87.0 144.1 -25.1 -20.9 20.6 27 28 A I - 0 0 13 -10,-1.0 -2,-0.1 -2,-0.1 6,-0.0 -0.951 36.4-115.7-107.5 121.3 -24.0 -24.1 22.6 28 29 A P > - 0 0 86 0, 0.0 3,-2.0 0, 0.0 0, 0.0 -0.271 23.7-125.6 -54.4 139.1 -26.6 -26.9 22.7 29 30 A S T 3 S+ 0 0 102 1,-0.3 -12,-0.0 3,-0.0 -2,-0.0 0.678 108.3 53.7 -68.1 -18.0 -27.7 -27.4 26.3 30 31 A D T 3 S+ 0 0 148 2,-0.1 -1,-0.3 55,-0.0 2,-0.2 0.388 83.6 115.9 -93.5 -0.1 -26.8 -31.1 26.2 31 32 A M < - 0 0 48 -3,-2.0 2,-0.6 1,-0.1 54,-0.2 -0.487 69.5-123.8 -73.7 138.9 -23.3 -30.5 25.0 32 33 A E + 0 0 38 -2,-0.2 35,-2.0 33,-0.2 2,-0.2 -0.757 47.4 160.6 -80.9 120.4 -20.4 -31.4 27.3 33 34 A I E -c 67 0A 3 -2,-0.6 50,-1.8 33,-0.3 2,-0.3 -0.677 23.2-163.4-130.4-178.6 -18.3 -28.3 27.9 34 35 A T E -cD 68 82A 2 33,-1.7 35,-1.8 48,-0.2 36,-1.0 -0.974 19.2-128.5-160.6 156.5 -15.6 -26.8 30.2 35 36 A A E -cD 70 81A 6 46,-1.8 46,-1.9 -2,-0.3 2,-0.4 -0.840 32.5-138.3-103.2 153.2 -14.1 -23.5 31.1 36 37 A I E -cD 71 80A 0 34,-2.6 36,-2.5 -2,-0.3 44,-0.2 -0.945 13.2-109.5-125.0 134.2 -10.3 -23.4 31.1 37 38 A N > - 0 0 0 42,-1.7 4,-1.9 -2,-0.4 5,-0.1 -0.111 34.9-117.3 -47.2 146.8 -7.7 -21.8 33.4 38 39 A P H > S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 10,-0.1 0.849 108.2 56.6 -64.2 -40.1 -5.9 -18.8 31.9 39 40 A A H 4 S+ 0 0 39 36,-0.4 38,-0.1 1,-0.2 3,-0.1 0.955 115.2 37.6 -57.0 -50.5 -2.3 -20.3 31.8 40 41 A D H >4 S+ 0 0 7 1,-0.2 3,-0.9 36,-0.2 -1,-0.2 0.798 113.1 59.0 -73.2 -28.0 -3.4 -23.3 29.8 41 42 A L H 3< S+ 0 0 4 -4,-1.9 9,-1.8 1,-0.3 8,-0.9 0.893 104.4 50.1 -65.4 -40.9 -5.8 -21.2 27.7 42 43 A N T >< S+ 0 0 50 -4,-2.1 3,-1.6 6,-0.2 -1,-0.3 -0.200 82.9 172.2 -96.4 41.9 -3.1 -18.9 26.5 43 44 A Y G X + 0 0 124 -3,-0.9 3,-1.7 -2,-0.3 6,-0.1 -0.214 66.3 9.6 -50.2 135.3 -0.7 -21.7 25.4 44 45 A G G 3 S- 0 0 61 1,-0.3 -1,-0.3 5,-0.0 3,-0.1 0.666 129.1 -68.3 68.8 20.1 2.3 -20.5 23.5 45 46 A G G < S+ 0 0 73 -3,-1.6 2,-0.6 1,-0.3 -1,-0.3 0.555 102.1 130.6 75.9 7.3 1.7 -16.9 24.3 46 47 A V X - 0 0 30 -3,-1.7 3,-1.5 -4,-0.2 -1,-0.3 -0.850 61.4-124.0 -95.7 120.8 -1.4 -16.9 22.1 47 48 A K T 3 S+ 0 0 66 -2,-0.6 -5,-0.1 106,-0.5 4,-0.1 -0.395 94.0 2.2 -62.7 135.4 -4.5 -15.4 23.8 48 49 A A T > S+ 0 0 0 -10,-0.1 3,-1.3 1,-0.1 -1,-0.3 0.825 82.3 157.0 53.2 36.8 -7.4 -17.9 23.8 49 50 A A T < S+ 0 0 0 -3,-1.5 88,-0.4 -8,-0.9 -7,-0.2 0.929 75.1 39.7 -52.8 -45.6 -5.1 -20.5 22.0 50 51 A L T > S+ 0 0 4 -9,-1.8 3,-1.8 -4,-0.2 2,-0.3 0.282 82.7 129.5 -94.9 10.3 -7.3 -23.4 23.3 51 52 A A T < S+ 0 0 0 -3,-1.3 86,-0.4 -10,-0.3 18,-0.2 -0.492 82.5 10.1 -64.2 125.9 -10.7 -21.6 22.8 52 53 A G T 3 S+ 0 0 1 16,-2.6 81,-0.3 1,-0.3 -1,-0.3 0.694 100.0 130.2 78.8 16.3 -13.0 -24.0 20.9 53 54 A S < - 0 0 1 -3,-1.8 15,-2.5 15,-0.2 2,-0.4 -0.428 56.0-123.3 -86.9 174.0 -10.6 -26.9 21.3 54 55 A Y E -EF 67 105A 26 51,-0.6 51,-2.7 13,-0.2 2,-0.4 -0.979 22.3-162.0-122.3 139.1 -11.7 -30.2 22.6 55 56 A L E -EF 66 104A 0 11,-2.9 11,-3.2 -2,-0.4 2,-0.5 -0.954 14.8-145.7-119.9 135.5 -10.3 -32.0 25.7 56 57 A E E -EF 65 103A 46 47,-2.4 47,-1.6 -2,-0.4 2,-0.4 -0.890 28.1-164.4 -91.4 129.5 -10.5 -35.6 26.8 57 58 A V E -EF 64 102A 0 7,-3.4 7,-2.1 -2,-0.5 2,-0.5 -0.955 9.5-156.6-124.4 133.8 -10.6 -35.5 30.5 58 59 A E E +EF 63 101A 72 43,-3.9 43,-1.9 -2,-0.4 5,-0.2 -0.926 17.7 168.0-112.9 127.5 -10.0 -38.4 32.9 59 60 A G - 0 0 10 3,-2.8 3,-0.5 -2,-0.5 32,-0.2 -0.552 54.5 -79.1-119.9-172.7 -11.4 -38.6 36.4 60 61 A P S S+ 0 0 97 0, 0.0 31,-0.2 0, 0.0 3,-0.1 0.794 127.7 40.9 -57.4 -29.8 -11.7 -41.3 39.1 61 62 A K S S- 0 0 141 29,-2.5 2,-0.3 1,-0.2 30,-0.2 0.581 123.3 -64.0-102.9 -12.3 -14.7 -42.8 37.4 62 63 A G - 0 0 27 28,-0.6 -3,-2.8 -3,-0.5 2,-0.3 -0.991 56.1 -67.6 160.2-162.4 -13.9 -42.7 33.7 63 64 A K E + E 0 58A 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.905 37.3 169.6-125.8 153.8 -13.1 -40.5 30.8 64 65 A T E - E 0 57A 14 -7,-2.1 -7,-3.4 -2,-0.3 2,-0.4 -0.961 28.5-116.4-152.8 168.7 -15.1 -38.0 28.7 65 66 A T E - E 0 56A 55 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.932 29.1-173.0-115.4 133.6 -14.7 -35.4 26.0 66 67 A V E - E 0 55A 0 -11,-3.2 -11,-2.9 -2,-0.4 2,-0.4 -0.916 21.4-130.0-127.5 155.5 -15.5 -31.7 26.4 67 68 A Y E -cE 33 54A 25 -35,-2.0 -33,-1.7 -2,-0.3 2,-0.8 -0.838 26.3-127.8-100.2 135.5 -15.6 -28.5 24.3 68 69 A V E +c 34 0A 0 -15,-2.5 -16,-2.6 -2,-0.4 -15,-0.2 -0.733 45.6 149.0 -93.6 105.3 -13.8 -25.4 25.6 69 70 A T E + 0 0 1 -35,-1.8 -47,-1.4 -2,-0.8 -45,-0.4 0.561 54.4 33.5-113.4 -12.3 -16.2 -22.5 25.6 70 71 A D E S-c 35 0A 26 -36,-1.0 -34,-2.6 -49,-0.2 2,-0.3 -0.957 71.9-106.3-150.2 158.3 -15.1 -20.2 28.5 71 72 A L E -c 36 0A 57 -2,-0.3 -34,-0.2 -36,-0.3 -50,-0.1 -0.657 19.9-148.8 -85.4 141.9 -12.3 -18.8 30.6 72 73 A Y > - 0 0 30 -36,-2.5 3,-1.8 -2,-0.3 -31,-0.1 -0.827 18.6-173.3-111.5 86.6 -11.9 -20.1 34.1 73 74 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -36,-0.0 0.774 77.8 42.8 -59.6 -37.4 -10.4 -16.9 35.7 74 75 A E T 3 S+ 0 0 148 -37,-0.1 2,-0.3 -36,-0.0 -37,-0.1 0.357 89.1 121.2 -92.7 4.9 -9.6 -18.3 39.2 75 76 A G < - 0 0 10 -3,-1.8 -36,-0.4 4,-0.1 3,-0.1 -0.505 53.6-141.6 -79.7 134.3 -8.1 -21.5 37.9 76 77 A A > - 0 0 71 -2,-0.3 3,-2.1 1,-0.2 -39,-0.2 -0.238 51.1 -57.7 -74.9 173.6 -4.5 -22.6 38.6 77 78 A R T 3 S+ 0 0 170 1,-0.3 -1,-0.2 -38,-0.1 3,-0.1 -0.272 129.0 13.3 -51.8 135.4 -2.4 -24.3 36.0 78 79 A G T 3 S+ 0 0 2 1,-0.2 -1,-0.3 -70,-0.1 2,-0.3 0.307 95.2 135.2 78.6 -9.6 -4.1 -27.5 34.9 79 80 A A < - 0 0 10 -3,-2.1 -42,-1.7 -71,-0.2 2,-0.3 -0.549 31.3-172.9 -82.8 137.5 -7.4 -26.6 36.4 80 81 A L E -bD 10 36A 0 -71,-2.2 -69,-1.5 -2,-0.3 2,-0.4 -0.861 19.2-149.2-121.3 156.9 -10.8 -27.2 34.5 81 82 A D E -bD 11 35A 17 -46,-1.9 -46,-1.8 -2,-0.3 -69,-0.2 -0.849 28.8-162.1-129.2 95.8 -14.4 -26.2 35.3 82 83 A L E -bD 12 34A 0 -71,-2.4 -69,-3.0 -2,-0.4 -48,-0.2 -0.187 21.4-107.9 -78.2 161.1 -16.7 -28.8 33.8 83 84 A S >> - 0 0 0 -50,-1.8 4,-2.2 -71,-0.2 3,-2.0 -0.636 39.3-109.7 -79.7 149.6 -20.4 -28.9 32.9 84 85 A P H 3> S+ 0 0 39 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.868 117.8 56.3 -48.7 -44.4 -22.4 -31.1 35.3 85 86 A N H 34 S+ 0 0 33 1,-0.2 4,-0.3 2,-0.2 -53,-0.1 0.664 112.3 42.4 -66.8 -16.0 -23.1 -33.7 32.5 86 87 A A H X> S+ 0 0 0 -3,-2.0 4,-0.8 2,-0.2 3,-0.8 0.876 113.4 49.3 -91.7 -46.5 -19.3 -34.1 32.0 87 88 A F H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.7 0.855 104.1 63.1 -55.2 -41.0 -18.2 -34.1 35.6 88 89 A R H 3< S+ 0 0 143 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.831 101.7 50.8 -55.1 -37.0 -21.0 -36.7 36.2 89 90 A K H <4 S+ 0 0 118 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.762 122.1 27.8 -75.2 -27.1 -19.2 -39.2 33.9 90 91 A I H << S+ 0 0 0 -4,-0.8 -29,-2.5 -3,-0.7 -28,-0.6 0.451 123.0 28.4-117.0 -4.3 -15.7 -38.9 35.4 91 92 A G S < S- 0 0 2 -4,-1.9 2,-0.6 -31,-0.2 -1,-0.1 -0.974 81.2 -89.4-156.6 165.5 -16.4 -38.1 39.0 92 93 A N > - 0 0 71 -2,-0.3 3,-2.3 1,-0.1 5,-0.2 -0.705 28.0-147.7 -82.8 118.5 -18.8 -38.2 42.1 93 94 A M T 3 S+ 0 0 59 -2,-0.6 -1,-0.1 1,-0.3 -5,-0.1 0.622 96.4 70.1 -62.2 -12.8 -21.1 -35.2 42.0 94 95 A K T 3 S+ 0 0 188 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.582 88.8 78.2 -80.9 -9.4 -21.1 -35.3 45.8 95 96 A D < - 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