==== 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 03-JUN-12 4FG4 . 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) . 20014.0 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 . 33 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.2 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 0 145 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-119.6 -1.3 38.3 0.8 2 3 A Y + 0 0 207 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.866 360.0 158.0 -78.0 112.9 1.8 36.8 -0.7 3 4 A D - 0 0 72 -2,-0.8 -1,-0.1 100,-0.0 0, 0.0 -0.431 24.7-159.3-152.7 60.2 0.1 36.1 -4.0 4 5 A D - 0 0 93 1,-0.1 2,-0.1 99,-0.0 -2,-0.0 -0.045 14.9-125.2 -57.4 141.0 2.4 35.7 -7.0 5 6 A L - 0 0 74 98,-0.1 2,-0.5 96,-0.0 98,-0.2 -0.465 20.5-134.5 -72.3 153.7 1.3 36.0 -10.6 6 7 A H E -A 102 0A 84 96,-3.0 96,-2.8 -2,-0.1 2,-0.3 -0.966 13.7-148.9-116.7 121.5 2.0 33.2 -13.0 7 8 A E E +A 101 0A 135 -2,-0.5 2,-0.3 94,-0.2 94,-0.2 -0.642 39.8 111.1 -85.7 141.4 3.4 34.0 -16.5 8 9 A G E -A 100 0A 8 92,-2.0 92,-3.2 -2,-0.3 2,-0.4 -0.965 59.0 -67.5-178.4-165.9 2.6 31.8 -19.5 9 10 A Y E -A 99 0A 105 -2,-0.3 71,-1.9 90,-0.2 2,-0.4 -0.879 32.5-153.3-112.4 142.8 0.8 31.5 -22.8 10 11 A A E +Ab 98 80A 0 88,-2.6 88,-2.1 -2,-0.4 2,-0.2 -0.944 13.9 175.2-110.6 137.8 -2.9 31.4 -23.5 11 12 A T E - b 0 81A 30 69,-2.2 71,-2.3 -2,-0.4 2,-0.3 -0.704 26.1-118.7-116.9 178.8 -4.6 29.7 -26.5 12 13 A Y E + b 0 82A 86 84,-0.4 2,-0.3 -2,-0.2 71,-0.2 -0.904 31.8 162.7-125.1 160.9 -8.3 29.4 -27.1 13 14 A T - 0 0 35 69,-2.0 22,-0.0 -2,-0.3 -2,-0.0 -0.939 35.8-135.8-166.5 164.6 -10.6 26.3 -27.5 14 15 A G S S+ 0 0 58 -2,-0.3 3,-0.5 69,-0.2 69,-0.1 0.397 75.1 90.6-122.5 -3.4 -14.3 25.4 -27.5 15 16 A S + 0 0 65 1,-0.2 -2,-0.1 2,-0.1 4,-0.1 -0.239 56.2 68.8 -78.7 178.9 -14.2 22.2 -25.4 16 17 A G S S+ 0 0 3 2,-0.9 4,-0.2 53,-0.1 -1,-0.2 0.204 75.6 90.3 92.2 -17.3 -14.6 22.2 -21.7 17 18 A Y S S+ 0 0 43 -3,-0.5 10,-0.8 1,-0.2 2,-0.3 0.709 103.1 18.2 -74.8 -21.8 -18.2 23.2 -21.8 18 19 A S S S+ 0 0 95 8,-0.1 -2,-0.9 7,-0.1 -1,-0.2 -0.996 128.4 8.0-149.6 144.2 -18.9 19.5 -21.9 19 20 A G S S+ 0 0 64 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 0.578 76.9 159.8 64.4 12.9 -17.1 16.3 -21.0 20 21 A G > - 0 0 3 -4,-0.2 3,-1.6 1,-0.1 5,-0.2 -0.243 53.2-104.6 -63.7 159.1 -14.1 18.1 -19.5 21 22 A A T 3 S+ 0 0 38 1,-0.3 49,-0.2 50,-0.1 -1,-0.1 0.718 112.8 61.2 -58.4 -29.2 -11.8 16.1 -17.1 22 23 A F T 3 S- 0 0 1 47,-1.1 -1,-0.3 1,-0.0 48,-0.1 0.419 99.6-129.0 -90.9 3.4 -13.0 17.6 -13.8 23 24 A L < + 0 0 68 -3,-1.6 -2,-0.1 46,-0.2 47,-0.1 0.902 58.8 142.9 56.9 48.8 -16.6 16.4 -14.3 24 25 A L + 0 0 4 45,-0.4 -1,-0.1 -4,-0.2 -3,-0.1 0.256 35.1 177.8-106.0 13.3 -18.1 19.8 -13.6 25 26 A D + 0 0 46 -5,-0.2 2,-0.1 44,-0.1 -7,-0.1 -0.252 44.1 54.9 -72.7 155.2 -21.0 19.7 -16.2 26 27 A P - 0 0 119 0, 0.0 -8,-0.1 0, 0.0 -9,-0.0 0.502 65.5-172.4 -76.2 154.0 -23.3 21.4 -17.1 27 28 A I - 0 0 14 -10,-0.8 -2,-0.1 -2,-0.1 6,-0.0 -0.962 27.2-120.6-113.3 121.3 -21.5 24.6 -18.0 28 29 A P > - 0 0 70 0, 0.0 3,-2.0 0, 0.0 0, 0.0 -0.362 22.4-129.9 -54.9 136.2 -23.6 27.7 -19.0 29 30 A S T 3 S+ 0 0 105 1,-0.3 -12,-0.0 3,-0.0 -2,-0.0 0.683 107.6 55.7 -71.3 -15.2 -22.5 28.7 -22.5 30 31 A D T 3 S+ 0 0 132 2,-0.1 -1,-0.3 55,-0.0 2,-0.1 0.497 84.8 116.0 -87.7 -6.7 -22.0 32.3 -21.4 31 32 A M < - 0 0 48 -3,-2.0 2,-0.6 1,-0.1 55,-0.2 -0.381 68.0-130.8 -67.4 136.0 -19.6 31.1 -18.8 32 33 A E + 0 0 48 33,-0.2 35,-2.6 53,-0.1 2,-0.2 -0.801 44.1 165.8 -84.8 120.3 -15.9 32.2 -19.1 33 34 A I E -c 67 0A 3 -2,-0.6 50,-1.8 33,-0.3 2,-0.3 -0.716 22.2-159.3-131.3 177.6 -13.8 29.0 -18.7 34 35 A T E -cD 68 82A 2 33,-1.7 35,-2.2 48,-0.2 36,-1.1 -0.993 18.4-135.0-157.5 153.6 -10.4 27.4 -19.1 35 36 A A E -cD 70 81A 6 46,-1.4 46,-2.6 -2,-0.3 2,-0.4 -0.864 32.0-145.7 -98.7 143.2 -8.4 24.3 -19.4 36 37 A I E -cD 71 80A 0 34,-2.5 36,-2.9 -2,-0.4 44,-0.2 -0.924 14.9-110.9-117.7 139.7 -5.2 24.2 -17.3 37 38 A N > - 0 0 0 42,-1.8 4,-1.9 -2,-0.4 3,-0.2 -0.238 33.5-115.0 -58.2 150.2 -1.8 22.6 -17.9 38 39 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 10,-0.2 0.860 108.5 56.5 -62.2 -40.4 -1.0 19.6 -15.8 39 40 A A H 4 S+ 0 0 55 36,-0.3 38,-0.1 1,-0.2 37,-0.1 0.909 114.9 37.2 -61.6 -43.9 2.0 21.0 -13.8 40 41 A D H >4 S+ 0 0 39 -3,-0.2 3,-0.9 1,-0.2 -1,-0.2 0.803 114.7 57.1 -78.9 -27.0 -0.0 24.0 -12.5 41 42 A L H 3< S+ 0 0 5 -4,-1.9 9,-1.7 1,-0.2 8,-0.3 0.930 104.9 49.5 -66.5 -46.3 -3.2 21.9 -12.0 42 43 A N T >X S+ 0 0 49 -4,-2.5 3,-1.7 6,-0.2 4,-0.6 0.100 82.0 164.4 -89.1 25.0 -1.6 19.3 -9.8 43 44 A Y G X4 + 0 0 123 -3,-0.9 3,-1.3 1,-0.3 6,-0.1 -0.023 64.4 17.1 -38.7 137.1 -0.0 22.0 -7.4 44 45 A G G 34 S- 0 0 63 1,-0.3 -1,-0.3 5,-0.0 3,-0.1 0.511 130.4 -70.7 75.0 5.0 1.2 20.6 -4.1 45 46 A G G <4 S+ 0 0 75 -3,-1.7 2,-0.6 1,-0.3 -1,-0.3 0.639 100.5 131.9 85.0 14.7 1.1 17.0 -5.3 46 47 A V X< - 0 0 28 -3,-1.3 3,-2.0 -4,-0.6 -1,-0.3 -0.905 60.2-127.4-105.1 117.2 -2.7 17.0 -5.4 47 48 A K T 3 S+ 0 0 63 -2,-0.6 -5,-0.1 106,-0.5 4,-0.0 -0.442 97.4 4.4 -58.2 126.4 -4.2 15.7 -8.5 48 49 A A T > S+ 0 0 0 -2,-0.2 3,-1.6 -10,-0.2 -1,-0.3 0.777 82.4 156.1 63.8 28.5 -6.7 18.3 -9.7 49 50 A A T < S+ 0 0 0 -3,-2.0 -7,-0.2 -8,-0.3 88,-0.2 0.876 77.5 37.3 -45.8 -42.2 -5.6 20.7 -6.9 50 51 A L T > S+ 0 0 7 -9,-1.7 3,-1.5 -4,-0.2 -1,-0.3 0.289 85.6 128.7-102.2 7.6 -6.8 23.6 -9.1 51 52 A A T < S+ 0 0 0 -3,-1.6 86,-0.4 1,-0.3 18,-0.1 -0.429 77.8 15.4 -63.5 135.3 -9.9 22.0 -10.6 52 53 A G T 3 S+ 0 0 2 16,-2.1 81,-0.3 1,-0.2 -1,-0.3 0.684 99.7 128.9 74.9 17.3 -13.0 24.1 -10.1 53 54 A S < - 0 0 2 -3,-1.5 15,-2.8 15,-0.2 2,-0.4 -0.313 55.4-123.9 -90.2-179.1 -10.9 27.2 -9.3 54 55 A Y E -EF 67 105A 28 51,-0.5 51,-2.1 13,-0.2 2,-0.4 -0.988 21.5-160.9-125.3 142.0 -11.2 30.6 -10.7 55 56 A L E -EF 66 104A 0 11,-2.5 11,-2.4 -2,-0.4 2,-0.5 -0.949 15.0-140.5-121.5 142.0 -8.3 32.5 -12.3 56 57 A E E -EF 65 103A 54 47,-2.8 47,-1.6 -2,-0.4 2,-0.5 -0.893 27.6-164.4 -94.7 131.3 -7.7 36.1 -13.0 57 58 A V E -EF 64 102A 0 7,-3.4 7,-2.2 -2,-0.5 2,-0.5 -0.965 12.4-161.8-128.2 116.4 -6.0 36.5 -16.4 58 59 A E E +EF 63 101A 81 43,-2.9 43,-1.5 -2,-0.5 5,-0.2 -0.866 16.9 174.6 -93.5 124.6 -4.2 39.5 -17.8 59 60 A G E > -E 62 0A 4 3,-2.9 3,-0.6 -2,-0.5 32,-0.2 -0.537 52.5 -85.8-110.7-173.5 -3.6 39.5 -21.6 60 61 A P T 3 S+ 0 0 87 0, 0.0 31,-0.2 0, 0.0 3,-0.1 0.507 127.2 39.0 -71.6 1.7 -2.2 42.3 -23.8 61 62 A K T 3 S- 0 0 123 29,-1.8 2,-0.3 1,-0.3 30,-0.2 0.401 124.4 -39.8-132.7 -0.8 -5.7 43.8 -24.0 62 63 A G E < - E 0 59A 24 -3,-0.6 -3,-2.9 28,-0.5 -1,-0.3 -0.982 58.7 -86.7 162.5-169.5 -7.3 43.5 -20.7 63 64 A K E + E 0 58A 75 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.966 38.9 172.3-133.8 145.1 -7.9 41.3 -17.6 64 65 A T E - E 0 57A 11 -7,-2.2 -7,-3.4 -2,-0.3 2,-0.5 -0.996 27.1-122.1-155.5 163.1 -10.6 38.6 -17.0 65 66 A T E - E 0 56A 53 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.902 26.5-172.5-113.0 129.2 -11.8 35.8 -14.7 66 67 A V E - E 0 55A 0 -11,-2.4 -11,-2.5 -2,-0.5 2,-0.4 -0.962 23.4-130.2-127.2 141.2 -12.3 32.1 -15.7 67 68 A Y E -cE 33 54A 25 -35,-2.6 -33,-1.7 -2,-0.4 2,-0.7 -0.691 30.2-128.3 -77.6 128.0 -13.7 29.0 -14.1 68 69 A V E +c 34 0A 0 -15,-2.8 -16,-2.1 -2,-0.4 -15,-0.2 -0.748 44.9 152.9 -88.0 111.8 -11.3 26.1 -14.5 69 70 A T E + 0 0 1 -35,-2.2 -47,-1.1 -2,-0.7 -45,-0.4 0.490 51.3 30.0-116.8 -8.5 -13.2 23.1 -16.0 70 71 A D E S-c 35 0A 27 -36,-1.1 -34,-2.5 -49,-0.2 2,-0.3 -0.989 71.4-102.0-158.1 152.8 -10.8 20.9 -17.9 71 72 A L E -c 36 0A 54 -2,-0.3 -34,-0.2 -36,-0.2 -50,-0.1 -0.650 19.9-150.7 -79.2 137.2 -7.2 19.5 -18.2 72 73 A Y > - 0 0 28 -36,-2.9 3,-1.6 -2,-0.3 7,-0.1 -0.837 19.2-173.4-106.9 86.8 -5.0 21.0 -20.9 73 74 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -36,-0.0 0.759 76.6 39.6 -57.9 -38.2 -2.9 17.8 -21.6 74 75 A E T 3 S+ 0 0 144 -37,-0.1 2,-0.3 -36,-0.0 -37,-0.1 0.082 89.6 123.5-105.6 22.1 -0.2 19.2 -23.9 75 76 A G < - 0 0 12 -3,-1.6 -36,-0.3 -39,-0.1 3,-0.1 -0.683 55.0-133.8 -91.3 138.4 0.2 22.5 -22.1 76 77 A A > - 0 0 73 -2,-0.3 3,-2.2 1,-0.2 -39,-0.2 -0.246 50.1 -65.1 -72.8 169.4 3.5 23.8 -20.8 77 78 A R T 3 S+ 0 0 205 1,-0.3 -1,-0.2 -38,-0.1 -68,-0.2 -0.396 128.1 21.2 -57.4 126.9 3.9 25.3 -17.3 78 79 A G T 3 S+ 0 0 4 1,-0.3 2,-0.3 -70,-0.1 -1,-0.3 0.302 93.3 138.2 97.7 -8.2 1.9 28.5 -17.2 79 80 A A < - 0 0 10 -3,-2.2 -42,-1.8 -71,-0.2 2,-0.4 -0.558 29.1-175.5 -83.4 128.7 -0.4 27.5 -20.1 80 81 A L E -bD 10 36A 0 -71,-1.9 -69,-2.2 -2,-0.3 2,-0.7 -0.943 17.8-151.1-117.7 142.5 -4.1 28.2 -20.1 81 82 A D E -bD 11 35A 22 -46,-2.6 -46,-1.4 -2,-0.4 -69,-0.2 -0.804 29.6-165.1-113.6 90.5 -6.6 27.1 -22.8 82 83 A L E -bD 12 34A 0 -71,-2.3 -69,-2.0 -2,-0.7 -48,-0.2 -0.299 25.0-107.5 -80.6 152.6 -9.4 29.7 -22.7 83 84 A S >> - 0 0 0 -50,-1.8 4,-3.5 -71,-0.2 3,-0.6 -0.498 36.4-119.5 -68.5 146.6 -12.9 29.8 -24.1 84 85 A P H 3> S+ 0 0 48 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.845 113.4 59.4 -66.5 -30.2 -13.0 32.3 -27.0 85 86 A N H 34 S+ 0 0 47 1,-0.2 4,-0.2 2,-0.2 -53,-0.1 0.865 115.0 37.6 -63.6 -34.6 -15.6 34.5 -25.2 86 87 A A H X4 S+ 0 0 0 -3,-0.6 3,-1.6 -55,-0.2 4,-0.4 0.924 115.5 53.3 -74.6 -49.1 -13.0 34.8 -22.4 87 88 A F H >X S+ 0 0 0 -4,-3.5 3,-2.2 1,-0.3 4,-1.5 0.898 100.3 61.6 -54.9 -44.2 -10.0 35.0 -24.7 88 89 A R T 3< S+ 0 0 179 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.1 0.655 96.4 60.9 -61.4 -17.3 -11.4 37.8 -26.8 89 90 A K T <4 S+ 0 0 112 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.640 116.1 29.4 -83.6 -15.6 -11.5 40.1 -23.8 90 91 A I T <4 S+ 0 0 0 -3,-2.2 -29,-1.8 -4,-0.4 -28,-0.5 0.491 125.7 12.7-125.6 -8.4 -7.7 40.0 -23.3 91 92 A G S < S- 0 0 2 -4,-1.5 2,-0.5 -30,-0.2 -1,-0.3 -0.989 76.9 -90.2-161.1 165.1 -6.2 39.4 -26.7 92 93 A N > - 0 0 48 -2,-0.3 3,-0.9 1,-0.1 -3,-0.1 -0.735 25.2-147.2 -81.2 129.5 -6.8 39.3 -30.5 93 94 A M T 3 S+ 0 0 71 -2,-0.5 -1,-0.1 1,-0.2 -81,-0.1 0.577 95.2 76.2 -73.6 -8.8 -7.9 35.9 -31.7 94 95 A K T 3 S+ 0 0 176 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.870 91.2 60.7 -64.2 -41.9 -5.9 36.7 -34.9 95 96 A D S < S- 0 0 77 -3,-0.9 3,-0.1 1,-0.1 -4,-0.0 -0.677 81.4-158.0 -73.9 141.7 -2.9 35.9 -32.8 96 97 A G S S+ 0 0 41 -2,-0.3 -84,-0.4 1,-0.3 2,-0.4 0.705 75.7 37.4 -97.2 -20.2 -3.5 32.3 -31.7 97 98 A K - 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