==== 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 01-MAR-04 1UXZ . 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) . 11063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 66.8 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 . 130 49.6 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 . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.3 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+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 0 2 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 0 135 0, 0.0 128,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.8 69.1 27.4 20.9 2 2 A V E +A 128 0A 60 126,-0.2 126,-0.3 1,-0.2 3,-0.1 -0.568 360.0 177.8 -83.9 123.3 65.8 27.6 19.0 3 3 A I E - 0 0 14 124,-2.9 2,-0.3 -2,-0.4 45,-0.2 0.868 69.4 -17.5 -85.2 -47.1 63.3 30.1 20.4 4 4 A A E -A 127 0A 0 123,-1.6 123,-2.8 43,-0.1 2,-0.4 -0.969 44.3-151.3-158.1 146.5 60.6 29.5 17.7 5 5 A T E -A 126 0A 24 163,-0.4 2,-0.5 -2,-0.3 121,-0.2 -0.994 21.8-169.7-112.5 130.9 60.0 28.0 14.3 6 6 A I E -A 125 0A 13 119,-3.0 119,-2.4 -2,-0.4 2,-0.3 -0.977 18.6-136.0-122.8 116.5 57.1 29.8 12.5 7 7 A Q E > -A 124 0A 46 -2,-0.5 3,-2.1 117,-0.2 117,-0.3 -0.558 18.8-131.1 -68.6 134.4 55.7 28.2 9.3 8 8 A A G > S+ 0 0 0 115,-2.0 3,-0.6 1,-0.3 116,-0.2 0.856 105.8 56.8 -59.3 -34.3 55.3 31.0 6.8 9 9 A E G 3 S+ 0 0 25 114,-0.5 -1,-0.3 20,-0.3 21,-0.1 0.526 87.8 79.3 -72.9 -10.5 51.7 29.9 6.0 10 10 A D G < + 0 0 43 -3,-2.1 -1,-0.2 155,-0.0 -2,-0.1 0.017 65.2 140.0 -92.6 29.6 50.7 30.2 9.7 11 11 A H < - 0 0 35 -3,-0.6 31,-0.2 1,-0.1 3,-0.1 -0.331 50.8-147.1 -66.8 148.1 50.3 33.9 9.5 12 12 A S S S+ 0 0 56 29,-2.2 2,-0.3 1,-0.3 30,-0.2 0.642 85.4 7.6 -89.9 -19.7 47.3 35.6 11.2 13 13 A Q E S+F 41 0B 121 28,-1.3 28,-3.0 2,-0.0 -1,-0.3 -0.969 70.3 174.5-152.9 154.9 47.1 38.3 8.5 14 14 A Q E -F 40 0B 68 -2,-0.3 2,-0.4 26,-0.2 26,-0.2 -0.975 17.8-145.7-152.8 166.4 48.7 38.9 5.2 15 15 A S E S-F 39 0B 48 24,-2.5 24,-1.7 -2,-0.3 3,-0.1 -0.964 73.8 -7.7-140.2 125.4 48.6 41.1 2.1 16 16 A G S S+ 0 0 43 -2,-0.4 2,-0.2 1,-0.2 22,-0.1 0.397 99.1 101.6 87.3 1.9 49.3 40.2 -1.5 17 17 A T - 0 0 21 22,-0.2 2,-0.3 17,-0.1 -1,-0.2 -0.587 49.5-150.6-119.1 174.8 50.4 36.6 -1.3 18 18 A Q E -B 32 0A 116 14,-2.0 14,-3.0 -2,-0.2 2,-0.2 -0.994 17.0-124.7-146.1 145.5 49.1 33.1 -1.8 19 19 A Q E +B 31 0A 67 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.547 29.9 171.5 -89.3 155.5 49.9 29.7 -0.3 20 20 A E E -B 30 0A 59 10,-2.1 10,-2.7 -2,-0.2 2,-0.1 -0.978 39.9 -83.8-154.8 161.0 51.0 26.6 -2.2 21 21 A T E -B 29 0A 109 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.470 43.7-149.1 -66.0 139.0 52.3 23.1 -1.6 22 22 A T - 0 0 4 6,-2.0 6,-0.1 -2,-0.1 71,-0.1 -0.887 17.7-156.9-108.8 147.9 56.0 22.9 -1.1 23 23 A T + 0 0 112 -2,-0.4 3,-0.1 4,-0.1 -1,-0.1 0.246 57.7 121.9-100.7 11.1 58.3 20.0 -2.1 24 24 A D S > S- 0 0 13 1,-0.2 3,-2.4 2,-0.1 -2,-0.1 -0.251 82.9 -67.0 -61.6 161.3 60.9 21.2 0.4 25 25 A T T 3 S+ 0 0 121 1,-0.3 -1,-0.2 70,-0.0 -2,-0.0 -0.252 127.7 24.0 -47.6 131.3 62.0 18.7 3.1 26 26 A G T 3 S- 0 0 83 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.231 100.8-137.0 90.5 -12.7 59.1 18.1 5.5 27 27 A G < + 0 0 31 -3,-2.4 2,-0.3 1,-0.1 -4,-0.1 -0.213 55.7 116.5 60.7-147.9 56.5 19.1 2.9 28 28 A G - 0 0 47 -6,-0.1 -6,-2.0 -5,-0.0 2,-0.3 -0.704 69.3 -43.3 88.3-137.2 53.6 21.2 3.9 29 29 A K E -B 21 0A 103 -2,-0.3 2,-0.3 -8,-0.3 -20,-0.3 -0.853 38.1-159.2-132.0 159.0 53.2 24.7 2.4 30 30 A N E -B 20 0A 0 -10,-2.7 -10,-2.1 -2,-0.3 2,-0.4 -0.922 26.1-115.6-129.0 162.1 55.1 27.8 1.4 31 31 A V E +BC 19 122A 0 91,-2.8 91,-2.2 -2,-0.3 -12,-0.2 -0.833 44.1 164.5 -91.9 136.3 54.0 31.4 0.8 32 32 A G E +B 18 0A 0 -14,-3.0 -14,-2.0 -2,-0.4 89,-0.1 -0.724 40.2 68.2-138.3-169.5 54.5 32.6 -2.8 33 33 A Y + 0 0 149 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.918 67.4 172.0 52.8 50.4 53.5 35.4 -5.2 34 34 A I + 0 0 8 86,-0.6 85,-1.5 -3,-0.1 2,-0.3 -0.733 4.4 164.0 -93.8 132.2 55.5 37.8 -3.1 35 35 A D > - 0 0 93 -2,-0.4 3,-2.3 83,-0.2 80,-0.2 -0.918 48.7 -62.7-140.1 165.0 56.0 41.4 -4.5 36 36 A A T 3 S+ 0 0 69 -2,-0.3 80,-0.2 1,-0.3 3,-0.1 -0.269 123.1 24.0 -52.4 126.9 57.1 44.8 -3.2 37 37 A G T 3 S+ 0 0 37 78,-2.5 -1,-0.3 1,-0.4 79,-0.1 0.042 92.3 124.0 101.9 -23.4 54.6 45.9 -0.5 38 38 A D < - 0 0 20 -3,-2.3 77,-3.0 77,-0.1 -1,-0.4 -0.280 38.1-179.0 -69.2 155.9 53.3 42.5 0.4 39 39 A W E -FG 15 114B 81 -24,-1.7 -24,-2.5 75,-0.2 2,-0.4 -0.988 25.1-147.1-157.5 162.0 53.5 41.4 4.0 40 40 A L E -FG 14 113B 5 73,-2.5 73,-2.6 -2,-0.3 2,-0.4 -1.000 14.5-156.7-134.4 128.8 52.9 38.6 6.5 41 41 A S E -FG 13 112B 10 -28,-3.0 -29,-2.2 -2,-0.4 -28,-1.3 -0.947 16.0-178.8-111.7 135.8 51.9 39.1 10.1 42 42 A Y > + 0 0 4 69,-3.0 3,-1.7 -2,-0.4 69,-0.4 -0.074 45.5 124.4-113.3 28.6 52.4 36.6 12.9 43 43 A A T 3 + 0 0 23 1,-0.3 -1,-0.1 67,-0.2 69,-0.1 0.784 64.1 66.0 -62.6 -26.4 50.8 38.8 15.5 44 44 A G T 3 S+ 0 0 24 1,-0.3 107,-0.3 -3,-0.2 -1,-0.3 0.688 104.2 46.4 -68.0 -20.1 48.4 35.9 16.4 45 45 A T S < S- 0 0 8 -3,-1.7 66,-0.3 66,-0.1 -1,-0.3 -0.726 82.5-161.5-123.2 79.1 51.3 33.8 17.7 46 46 A P - 0 0 26 0, 0.0 102,-2.9 0, 0.0 2,-0.4 -0.310 8.9-143.2 -61.3 146.1 53.4 36.0 19.9 47 47 A V E -J 109 0C 0 62,-2.5 62,-2.7 100,-0.3 2,-0.5 -0.923 9.7-130.1-114.5 135.3 56.9 34.7 20.6 48 48 A N E -J 108 0C 18 -2,-0.4 60,-0.2 60,-0.2 58,-0.1 -0.758 12.9-159.5 -91.3 124.6 58.6 35.2 23.9 49 49 A I E -J 107 0C 1 58,-2.8 58,-2.9 -2,-0.5 3,-0.1 -0.917 6.0-157.5-101.7 116.1 62.1 36.6 23.8 50 50 A P + 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.764 68.1 7.5 -72.8 -24.2 63.8 35.6 27.1 51 51 A S S S- 0 0 61 54,-0.1 2,-0.2 56,-0.1 53,-0.2 -0.994 80.8 -98.2-157.2 147.3 66.5 38.3 27.3 52 52 A S S S+ 0 0 82 -2,-0.3 2,-0.3 -3,-0.1 53,-0.2 -0.488 77.2 66.4 -70.3 135.0 67.5 41.4 25.4 53 53 A G E S-D 104 0A 21 51,-2.2 51,-2.5 -2,-0.2 2,-0.3 -0.986 81.0 -9.8 153.0-159.4 70.3 40.9 22.9 54 54 A S E +D 103 0A 39 -2,-0.3 76,-0.9 49,-0.2 77,-0.7 -0.528 49.1 179.9 -81.6 132.4 71.3 39.3 19.7 55 55 A Y E -DE 102 129A 4 47,-2.7 47,-2.3 -2,-0.3 2,-0.6 -0.977 23.6-133.7-128.9 143.1 69.1 36.7 17.9 56 56 A L E -DE 101 128A 50 72,-2.3 72,-2.2 -2,-0.3 2,-0.5 -0.879 20.3-159.6 -97.2 120.7 69.8 34.9 14.7 57 57 A I E -DE 100 127A 0 43,-2.9 43,-1.9 -2,-0.6 2,-0.3 -0.904 6.1-164.3-105.7 126.9 66.9 34.8 12.3 58 58 A E E -DE 99 126A 34 68,-3.0 68,-2.4 -2,-0.5 2,-0.4 -0.872 3.8-164.0-111.0 144.5 66.7 32.2 9.6 59 59 A Y E -DE 98 125A 0 39,-2.5 39,-2.5 -2,-0.3 2,-0.8 -0.996 14.6-144.9-130.1 129.1 64.5 32.1 6.6 60 60 A R E +DE 97 124A 48 64,-2.7 63,-2.9 -2,-0.4 64,-0.6 -0.861 41.4 167.6 -95.7 109.4 63.8 29.1 4.4 61 61 A V E -DE 96 122A 0 35,-2.7 35,-2.3 -2,-0.8 2,-0.3 -0.818 31.0-165.9-131.1 156.6 63.6 30.6 0.9 62 62 A A E +DE 95 121A 0 59,-1.6 59,-2.8 -2,-0.3 2,-0.3 -0.991 12.5 174.8-138.9 145.1 63.5 29.8 -2.8 63 63 A S E -D 91 0A 0 28,-0.6 26,-3.0 31,-0.5 27,-1.4 -0.901 23.4-157.8-156.4 124.0 63.9 32.2 -5.7 64 64 A Q S S+ 0 0 74 55,-0.3 26,-0.3 -2,-0.3 -1,-0.1 0.947 95.9 8.7 -64.7 -48.2 64.1 31.6 -9.4 65 65 A N S S- 0 0 134 54,-0.4 23,-0.3 1,-0.3 -1,-0.1 0.424 94.0-135.3-119.9 -2.1 65.9 34.8 -10.4 66 66 A G + 0 0 17 53,-0.5 -1,-0.3 21,-0.3 3,-0.1 -0.249 60.3 117.6 75.4-169.8 67.0 36.5 -7.2 67 67 A G + 0 0 67 19,-0.4 -1,-0.1 1,-0.3 53,-0.1 0.325 48.9 126.6 94.2 -8.8 66.6 40.2 -6.5 68 68 A G E +H 86 0B 4 18,-0.8 18,-2.6 51,-0.2 2,-0.3 -0.333 31.3 178.8 -81.0 164.8 64.3 40.0 -3.5 69 69 A S E -HI 85 117B 35 48,-1.9 47,-1.9 16,-0.3 48,-1.6 -0.978 6.4-162.2-158.8 154.0 64.6 41.4 -0.0 70 70 A L E -HI 84 115B 0 14,-2.2 14,-2.1 -2,-0.3 2,-0.4 -0.944 14.2-137.5-136.4 162.0 62.6 41.5 3.2 71 71 A T E -HI 83 114B 13 43,-2.5 43,-2.4 -2,-0.3 2,-0.5 -0.975 13.6-150.8-117.2 128.6 62.3 43.4 6.4 72 72 A F E +HI 82 113B 4 10,-2.8 9,-2.3 -2,-0.4 10,-2.1 -0.902 38.6 145.5 -97.6 126.9 61.8 41.6 9.7 73 73 A E E -HI 80 112B 28 39,-2.5 39,-2.7 -2,-0.5 2,-0.3 -0.878 55.1 -75.8-150.5 173.5 59.8 43.8 12.1 74 74 A E E > S- I 0 111B 30 5,-2.6 3,-2.5 -2,-0.3 4,-0.3 -0.675 70.1 -87.9 -75.6 139.3 57.3 44.0 14.8 75 75 A A T 3 S+ 0 0 31 35,-2.9 3,-0.3 -2,-0.3 -1,-0.1 -0.275 120.5 36.1 -51.7 131.3 53.8 43.6 13.3 76 76 A G T 3 S- 0 0 88 1,-0.1 -1,-0.3 -3,-0.1 35,-0.1 0.163 126.1 -85.9 103.0 -16.3 52.6 47.0 12.2 77 77 A G S < S+ 0 0 27 -3,-2.5 -2,-0.2 2,-0.2 -1,-0.1 0.437 86.0 125.6 100.1 0.7 56.1 48.1 11.1 78 78 A A + 0 0 78 -4,-0.3 2,-0.1 1,-0.3 -1,-0.1 -0.972 65.3 22.0-149.0 131.2 57.7 49.5 14.3 79 79 A P S S- 0 0 81 0, 0.0 -5,-2.6 0, 0.0 2,-0.4 0.615 80.8-149.6 -74.7 158.8 60.2 48.8 15.5 80 80 A V E -H 73 0B 78 -7,-0.2 -7,-0.3 1,-0.1 3,-0.1 -0.788 10.0-169.5 -86.1 135.9 62.0 47.3 12.6 81 81 A H E - 0 0 30 -9,-2.3 22,-0.4 -2,-0.4 2,-0.3 0.830 53.3 -43.1 -96.0 -41.3 64.5 44.6 13.5 82 82 A G E -H 72 0B 15 -10,-2.1 -10,-2.8 20,-0.1 -1,-0.3 -0.993 41.5-123.3-177.0 173.9 66.5 43.9 10.3 83 83 A T E -H 71 0B 93 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.930 19.8-172.3-132.6 156.3 66.7 43.5 6.6 84 84 A I E -H 70 0B 22 -14,-2.1 -14,-2.2 -2,-0.3 2,-0.3 -0.988 21.2-128.2-154.1 138.7 68.0 40.7 4.4 85 85 A A E -H 69 0B 76 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.0 -0.656 22.5-139.4 -82.6 143.7 68.7 40.1 0.7 86 86 A I E -H 68 0B 4 -18,-2.6 -18,-0.8 -2,-0.3 -19,-0.4 -0.914 18.4-145.9-112.5 114.0 67.3 36.9 -0.8 87 87 A P - 0 0 58 0, 0.0 -21,-0.3 0, 0.0 2,-0.2 -0.259 25.1 -95.3 -75.4 158.1 69.6 35.2 -3.3 88 88 A A - 0 0 58 -23,-0.3 -24,-0.2 1,-0.1 -23,-0.1 -0.515 32.5-175.4 -63.2 139.5 68.6 33.2 -6.4 89 89 A T - 0 0 28 -26,-3.0 -25,-0.2 -2,-0.2 -1,-0.1 0.379 47.6-109.5-113.0 -8.1 68.4 29.5 -5.6 90 90 A G S S+ 0 0 50 -27,-1.4 2,-0.3 -26,-0.3 -26,-0.2 0.330 88.0 36.9 95.6 -4.4 67.7 28.5 -9.3 91 91 A G E > S-D 63 0A 8 -28,-0.6 3,-1.4 3,-0.4 -28,-0.6 -0.959 77.8-112.8-171.9 158.7 64.1 27.5 -8.8 92 92 A W E 3 S+ 0 0 114 -2,-0.3 -30,-0.1 1,-0.3 -1,-0.1 0.649 122.3 34.0 -69.2 -19.7 60.8 28.2 -7.1 93 93 A Q E 3 S+ 0 0 58 -71,-0.1 2,-0.6 -70,-0.1 -1,-0.3 -0.023 89.6 105.9-125.6 31.1 61.1 24.9 -5.2 94 94 A T E < - 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