==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING MODULE 03-MAR-04 1UYY . COMPND 2 MOLECULE: CELLULASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO MIXTUS; . AUTHOR M.CZJZEK,V.M.R.PIRES,J.HENSHAW,J.A.M.PRATES,D.BOLAM, . 262 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 64.9 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 . 128 48.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 0 0.0 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 4.6 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 . 2 0 6 2 2 4 0 2 0 2 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 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 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 M 0 0 143 0, 0.0 128,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -5.8 37.7 6.2 21.8 2 2 A V E +A 128 0A 63 126,-0.2 126,-0.2 1,-0.2 3,-0.1 -0.624 360.0 179.0 -80.3 124.8 34.4 6.0 23.8 3 3 A I E - 0 0 20 124,-2.8 2,-0.3 -2,-0.4 45,-0.2 0.871 68.6 -17.0 -85.8 -48.6 31.9 3.4 22.5 4 4 A A E -A 127 0A 0 123,-1.5 123,-2.7 43,-0.1 2,-0.5 -0.972 45.0-153.0-157.7 144.3 29.3 4.0 25.1 5 5 A T E -A 126 0A 18 163,-0.4 2,-0.5 -2,-0.3 121,-0.2 -0.996 21.5-170.6-111.4 128.5 28.7 5.5 28.6 6 6 A I E -A 125 0A 13 119,-2.9 119,-2.6 -2,-0.5 2,-0.3 -0.977 20.0-136.1-120.8 116.8 25.8 3.8 30.4 7 7 A Q E > -A 124 0A 46 -2,-0.5 3,-1.8 117,-0.2 117,-0.3 -0.572 21.8-130.6 -66.6 133.0 24.5 5.3 33.6 8 8 A A T 3 S+ 0 0 0 115,-2.1 3,-0.3 1,-0.3 116,-0.2 0.811 105.2 56.3 -61.8 -31.7 24.0 2.3 36.0 9 9 A E T 3 S+ 0 0 28 114,-0.5 2,-0.9 20,-0.3 -1,-0.3 0.634 86.1 83.6 -73.4 -14.8 20.5 3.3 36.9 10 10 A D < + 0 0 40 -3,-1.8 2,-0.2 2,-0.0 -1,-0.2 -0.187 63.5 140.4 -86.9 44.2 19.4 3.3 33.2 11 11 A H - 0 0 48 -2,-0.9 31,-0.2 -3,-0.3 3,-0.1 -0.592 51.6-147.4 -83.6 146.3 18.8 -0.4 33.3 12 12 A S S S+ 0 0 34 29,-1.9 2,-0.3 1,-0.2 30,-0.2 0.721 86.8 9.4 -82.7 -27.4 15.8 -2.0 31.4 13 13 A Q E S+F 41 0B 98 28,-1.3 28,-2.8 2,-0.0 2,-0.3 -0.974 70.9 173.1-143.8 158.7 15.5 -4.8 34.1 14 14 A Q E -F 40 0B 71 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.980 18.3-145.7-155.9 166.2 17.1 -5.4 37.5 15 15 A S E S-F 39 0B 48 24,-2.4 24,-1.6 -2,-0.3 3,-0.1 -0.970 73.6 -7.4-140.3 126.4 17.1 -7.7 40.5 16 16 A G S S+ 0 0 44 -2,-0.3 2,-0.2 1,-0.2 22,-0.1 0.370 100.4 97.7 87.0 -0.9 17.7 -6.8 44.2 17 17 A T - 0 0 20 22,-0.2 2,-0.3 17,-0.1 -1,-0.2 -0.558 49.7-152.3-116.2 175.1 18.9 -3.2 44.0 18 18 A Q E -B 32 0A 106 14,-1.8 14,-2.9 -2,-0.2 2,-0.1 -0.989 20.4-115.4-149.3 149.3 17.6 0.4 44.4 19 19 A Q E +B 31 0A 104 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.422 34.2 173.1 -75.0 149.6 18.5 3.8 43.0 20 20 A E E -B 30 0A 48 10,-2.0 10,-2.8 -2,-0.1 2,-0.1 -0.976 38.4 -87.4-152.8 160.2 19.7 6.6 45.3 21 21 A T E -B 29 0A 93 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.457 41.3-150.4 -70.1 139.7 21.1 10.1 44.8 22 22 A T - 0 0 9 6,-1.9 6,-0.2 -2,-0.1 71,-0.1 -0.884 18.6-157.7-110.2 147.3 24.9 10.4 44.3 23 23 A T + 0 0 115 -2,-0.4 3,-0.1 4,-0.1 -1,-0.1 0.215 58.0 121.7-100.8 9.8 27.2 13.2 45.2 24 24 A D S > S- 0 0 11 1,-0.2 3,-2.5 2,-0.1 -2,-0.1 -0.252 82.9 -65.0 -61.0 159.7 29.8 12.1 42.6 25 25 A T T 3 S+ 0 0 125 1,-0.3 -1,-0.2 70,-0.0 -2,-0.0 -0.236 128.4 22.2 -45.4 129.6 30.8 14.6 39.9 26 26 A G T 3 S- 0 0 84 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.233 101.1-136.7 89.7 -12.7 27.8 15.3 37.7 27 27 A G < + 0 0 30 -3,-2.5 2,-0.4 1,-0.1 -4,-0.1 -0.226 55.7 115.9 61.6-147.9 25.3 14.3 40.4 28 28 A G - 0 0 49 -6,-0.2 -6,-1.9 -5,-0.0 2,-0.3 -0.695 69.3 -39.8 88.8-136.3 22.3 12.2 39.4 29 29 A K E -B 21 0A 70 -2,-0.4 2,-0.3 -8,-0.3 -20,-0.3 -0.888 39.2-161.6-130.4 155.0 21.9 8.7 40.7 30 30 A N E -B 20 0A 0 -10,-2.8 -10,-2.0 -2,-0.3 2,-0.4 -0.919 30.1-108.9-125.2 163.6 23.8 5.5 41.5 31 31 A V E +BC 19 122A 1 91,-3.1 91,-2.1 -2,-0.3 -12,-0.2 -0.781 46.3 171.4 -86.9 133.5 22.7 2.0 42.1 32 32 A G E +B 18 0A 0 -14,-2.9 -14,-1.8 -2,-0.4 89,-0.1 -0.705 43.2 58.0-131.9-175.3 22.9 0.8 45.7 33 33 A Y + 0 0 138 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.923 68.0 172.3 52.1 51.3 22.0 -2.1 48.0 34 34 A I + 0 0 9 86,-0.6 85,-1.4 -3,-0.1 86,-0.3 -0.761 2.0 163.6 -93.5 130.9 24.0 -4.5 45.9 35 35 A D > - 0 0 91 -2,-0.4 3,-2.3 83,-0.2 80,-0.2 -0.919 48.3 -61.9-139.9 165.9 24.4 -8.1 47.2 36 36 A A T 3 S+ 0 0 70 -2,-0.3 80,-0.2 1,-0.3 3,-0.1 -0.266 123.1 22.8 -52.4 127.6 25.4 -11.5 45.9 37 37 A G T 3 S+ 0 0 38 78,-2.5 -1,-0.3 1,-0.4 79,-0.1 0.020 92.6 123.8 100.4 -24.6 22.9 -12.6 43.2 38 38 A D < - 0 0 21 -3,-2.3 77,-2.8 77,-0.1 -1,-0.4 -0.262 38.7-177.0 -66.7 155.7 21.7 -9.1 42.3 39 39 A W E -FG 15 114B 100 -24,-1.6 -24,-2.4 75,-0.2 2,-0.4 -0.985 24.1-146.9-155.2 162.2 21.9 -8.0 38.7 40 40 A L E -FG 14 113B 5 73,-2.4 73,-2.6 -2,-0.3 2,-0.4 -0.999 15.0-157.2-131.9 131.6 21.4 -5.2 36.2 41 41 A S E -FG 13 112B 10 -28,-2.8 -29,-1.9 -2,-0.4 -28,-1.3 -0.947 17.1-178.5-114.6 136.9 20.3 -5.5 32.6 42 42 A Y > + 0 0 5 69,-2.9 3,-1.7 -2,-0.4 69,-0.4 -0.074 45.1 124.9-115.6 28.8 20.9 -3.0 29.8 43 43 A A T 3 + 0 0 21 1,-0.3 -1,-0.1 67,-0.2 69,-0.1 0.791 66.4 64.1 -59.1 -29.2 19.1 -5.1 27.1 44 44 A G T 3 S+ 0 0 24 1,-0.3 107,-0.5 -3,-0.2 -1,-0.3 0.659 105.5 45.8 -70.5 -17.3 16.9 -2.2 26.3 45 45 A T S < S- 0 0 7 -3,-1.7 66,-0.3 105,-0.1 -1,-0.3 -0.698 82.0-162.6-125.6 77.9 19.9 -0.2 25.1 46 46 A P - 0 0 26 0, 0.0 102,-2.9 0, 0.0 2,-0.4 -0.275 9.4-143.0 -60.7 146.7 22.0 -2.4 22.8 47 47 A V E -J 109 0C 0 62,-2.4 62,-2.9 100,-0.3 2,-0.5 -0.934 8.6-132.0-116.0 135.9 25.5 -1.2 22.2 48 48 A N E -J 108 0C 32 -2,-0.4 60,-0.2 60,-0.2 58,-0.1 -0.778 10.7-158.9 -93.4 126.7 27.3 -1.5 18.9 49 49 A I E -J 107 0C 1 58,-2.6 58,-2.8 -2,-0.5 3,-0.1 -0.926 6.6-156.1-102.4 117.8 30.8 -2.9 18.8 50 50 A P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.738 70.5 7.4 -71.7 -24.7 32.4 -1.8 15.5 51 51 A S S S- 0 0 55 54,-0.1 2,-0.1 56,-0.1 53,-0.1 -0.989 81.4 -97.8-157.3 148.0 35.0 -4.6 15.3 52 52 A S S S+ 0 0 81 -2,-0.3 2,-0.3 -3,-0.1 53,-0.2 -0.451 77.0 64.1 -68.6 137.9 36.0 -7.9 17.1 53 53 A G E S-D 104 0A 21 51,-2.2 51,-2.4 -2,-0.1 2,-0.3 -0.979 81.5 -7.2 149.4-158.2 38.7 -7.5 19.7 54 54 A S E +D 103 0A 53 -2,-0.3 76,-0.8 49,-0.2 2,-0.3 -0.553 50.2 179.2 -81.6 131.1 39.9 -6.0 23.0 55 55 A Y E -DE 102 129A 5 47,-2.6 47,-2.1 -2,-0.3 2,-0.6 -0.962 24.7-131.1-128.0 146.0 37.7 -3.4 24.8 56 56 A L E -DE 101 128A 34 72,-2.5 72,-2.6 -2,-0.3 2,-0.5 -0.885 19.8-160.5 -97.3 122.7 38.3 -1.6 28.0 57 57 A I E -DE 100 127A 0 43,-2.9 43,-1.9 -2,-0.6 2,-0.3 -0.931 7.6-166.0-106.7 124.0 35.4 -1.6 30.4 58 58 A E E -DE 99 126A 35 68,-2.9 68,-2.2 -2,-0.5 2,-0.4 -0.867 4.1-163.9-109.7 144.1 35.4 1.0 33.2 59 59 A Y E -DE 98 125A 0 39,-2.6 39,-2.5 -2,-0.3 2,-0.8 -0.997 14.8-144.5-130.1 129.5 33.2 1.1 36.3 60 60 A R E +DE 97 124A 48 64,-2.6 63,-2.8 -2,-0.4 64,-0.6 -0.853 41.3 168.4 -93.8 109.0 32.6 4.2 38.5 61 61 A V E -DE 96 122A 0 35,-2.6 35,-2.3 -2,-0.8 2,-0.3 -0.821 30.6-166.2-129.3 157.2 32.3 2.6 42.0 62 62 A A E + E 0 121A 0 59,-1.5 59,-2.8 -2,-0.3 2,-0.3 -0.988 12.8 174.8-140.2 144.2 32.2 3.4 45.7 63 63 A S E -D 91 0A 0 28,-0.6 26,-2.9 31,-0.5 27,-1.2 -0.926 23.3-160.1-155.8 126.6 32.6 0.9 48.6 64 64 A Q S S+ 0 0 96 55,-0.4 26,-0.2 -2,-0.3 -1,-0.1 0.935 96.3 9.6 -68.9 -47.0 32.8 1.4 52.4 65 65 A N S S- 0 0 126 54,-0.4 23,-0.3 1,-0.3 -1,-0.1 0.466 93.5-137.8-118.4 -6.9 34.5 -1.9 53.3 66 66 A G + 0 0 15 53,-0.5 -1,-0.3 21,-0.3 -2,-0.1 -0.300 58.7 119.8 74.2-167.7 35.5 -3.6 50.0 67 67 A G + 0 0 70 19,-0.4 -1,-0.1 1,-0.3 52,-0.1 0.298 48.4 128.6 94.1 -6.9 35.1 -7.3 49.3 68 68 A G E +H 86 0B 4 18,-0.9 18,-2.5 51,-0.2 2,-0.3 -0.310 30.2 176.9 -82.3 161.0 32.8 -6.9 46.2 69 69 A S E -HI 85 117B 35 48,-1.7 47,-1.8 16,-0.3 48,-1.6 -0.968 6.9-163.5-156.5 153.2 33.0 -8.4 42.7 70 70 A L E -HI 84 115B 0 14,-2.1 14,-1.9 -2,-0.3 2,-0.4 -0.936 14.6-137.3-134.6 162.4 31.0 -8.4 39.5 71 71 A T E -HI 83 114B 14 43,-2.5 43,-2.4 -2,-0.3 2,-0.5 -0.985 14.1-151.1-118.5 127.5 30.7 -10.3 36.2 72 72 A F E +HI 82 113B 4 10,-3.0 9,-2.5 -2,-0.4 10,-1.9 -0.883 39.6 134.8 -99.6 129.8 30.2 -8.3 33.0 73 73 A E E -HI 80 112B 24 39,-2.4 39,-2.5 -2,-0.5 2,-0.3 -0.817 58.3 -65.9-156.7-178.8 28.3 -10.4 30.5 74 74 A E E > - I 0 111B 28 5,-1.7 3,-2.3 37,-0.3 37,-0.3 -0.724 68.8 -88.7 -82.2 142.5 25.5 -10.5 27.9 75 75 A A T 3 S+ 0 0 33 35,-2.9 3,-0.3 -2,-0.3 37,-0.1 -0.283 118.6 39.0 -50.5 131.3 22.0 -9.9 29.4 76 76 A G T 3 S- 0 0 91 1,-0.1 -1,-0.3 -3,-0.0 35,-0.1 0.093 128.0 -80.6 107.1 -22.3 20.7 -13.3 30.4 77 77 A G S < S+ 0 0 26 -3,-2.3 -1,-0.1 2,-0.2 -2,-0.1 0.155 87.7 118.8 119.0 -19.5 24.0 -14.7 31.7 78 78 A A + 0 0 75 -3,-0.3 2,-0.1 1,-0.2 -5,-0.1 -0.999 57.4 25.7-151.6 145.3 26.0 -15.8 28.6 79 79 A P S S- 0 0 84 0, 0.0 -5,-1.7 0, 0.0 2,-0.4 0.522 78.0-147.5 -71.5 153.2 28.5 -15.3 27.1 80 80 A V E -H 73 0B 82 -7,-0.2 -7,-0.3 1,-0.1 3,-0.1 -0.709 13.6-172.0 -84.2 134.0 30.4 -13.9 30.1 81 81 A H E - 0 0 31 -9,-2.5 22,-0.4 -2,-0.4 2,-0.3 0.815 54.7 -43.8 -96.1 -39.3 33.0 -11.3 29.1 82 82 A G E -H 72 0B 15 -10,-1.9 -10,-3.0 20,-0.1 -1,-0.3 -0.987 42.0-122.2-178.8 172.0 34.9 -10.7 32.3 83 83 A T E -H 71 0B 93 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.915 19.4-171.1-128.5 158.2 35.1 -10.3 36.1 84 84 A I E -H 70 0B 22 -14,-1.9 -14,-2.1 -2,-0.3 2,-0.3 -0.989 20.4-129.5-152.5 137.6 36.5 -7.6 38.4 85 85 A A E -H 69 0B 75 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.0 -0.668 22.0-140.2 -81.4 143.8 37.1 -7.0 42.1 86 86 A I E -H 68 0B 3 -18,-2.5 -18,-0.9 -2,-0.3 -19,-0.4 -0.926 18.9-147.2-112.1 113.8 35.8 -3.8 43.6 87 87 A P - 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