==== 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 1UYZ . 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) . 11137.0 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 . 129 49.2 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.0 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+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 1 1 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 0 134 0, 0.0 128,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.0 37.9 5.9 21.8 2 2 A V E +A 128 0A 59 126,-0.2 126,-0.3 1,-0.2 3,-0.1 -0.577 360.0 179.6 -79.6 126.2 34.6 5.6 23.6 3 3 A I E - 0 0 13 124,-3.0 2,-0.3 -2,-0.4 125,-0.2 0.852 69.5 -15.6 -85.4 -48.7 32.1 3.1 22.2 4 4 A A E -A 127 0A 0 123,-1.6 123,-2.6 43,-0.1 2,-0.5 -0.979 44.9-152.3-156.6 142.7 29.4 3.7 24.8 5 5 A T E -A 126 0A 19 163,-0.4 2,-0.5 -2,-0.3 121,-0.2 -0.995 21.8-170.4-109.2 128.5 28.6 5.2 28.2 6 6 A I E -A 125 0A 13 119,-2.8 119,-2.6 -2,-0.5 2,-0.2 -0.979 19.3-136.0-119.4 117.5 25.8 3.4 29.9 7 7 A Q E > -A 124 0A 47 -2,-0.5 3,-1.7 117,-0.2 117,-0.3 -0.567 19.8-131.1 -67.9 134.4 24.3 5.0 33.1 8 8 A A T 3 S+ 0 0 0 115,-2.0 3,-0.4 1,-0.3 116,-0.2 0.841 105.6 56.7 -60.4 -34.5 23.9 2.1 35.6 9 9 A E T 3 S+ 0 0 23 114,-0.5 -1,-0.3 20,-0.3 2,-0.1 0.579 87.2 80.6 -71.3 -13.3 20.3 3.2 36.3 10 10 A D < + 0 0 44 -3,-1.7 -1,-0.2 35,-0.0 2,-0.2 -0.089 63.7 140.4 -91.1 35.2 19.3 3.0 32.6 11 11 A H - 0 0 32 -3,-0.4 31,-0.2 1,-0.1 3,-0.1 -0.474 51.4-146.0 -73.4 147.8 18.8 -0.8 32.7 12 12 A S S S+ 0 0 55 29,-2.0 2,-0.3 1,-0.3 30,-0.2 0.681 86.8 9.0 -85.7 -24.5 15.9 -2.3 30.9 13 13 A Q E S+F 41 0B 122 28,-1.3 28,-3.0 2,-0.0 2,-0.3 -0.978 70.6 173.8-147.8 156.6 15.5 -5.0 33.5 14 14 A Q E -F 40 0B 66 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.971 17.1-147.0-152.1 167.1 17.0 -5.6 37.0 15 15 A S E S-F 39 0B 50 24,-2.4 24,-1.6 -2,-0.3 3,-0.1 -0.966 73.3 -7.0-143.2 126.8 16.8 -7.8 40.0 16 16 A G S S+ 0 0 44 -2,-0.3 2,-0.2 1,-0.2 22,-0.1 0.385 99.0 104.0 84.1 2.7 17.4 -7.0 43.7 17 17 A T - 0 0 20 22,-0.2 2,-0.3 17,-0.1 -1,-0.2 -0.556 49.7-150.5-115.8 176.2 18.7 -3.4 43.4 18 18 A Q E -B 32 0A 112 14,-1.8 14,-3.0 -2,-0.2 2,-0.2 -0.996 17.8-122.9-148.2 139.4 17.4 0.1 44.0 19 19 A Q E +B 31 0A 79 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.534 32.1 173.9 -81.1 149.9 18.3 3.5 42.5 20 20 A E E -B 30 0A 56 10,-2.2 10,-2.6 -2,-0.2 2,-0.2 -0.972 38.1 -88.5-149.2 162.1 19.5 6.4 44.7 21 21 A T E -B 29 0A 115 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.522 42.0-149.1 -71.6 137.4 20.8 9.9 44.2 22 22 A T - 0 0 4 6,-1.9 6,-0.1 -2,-0.2 71,-0.1 -0.871 18.7-158.9-108.2 146.8 24.5 10.2 43.7 23 23 A T + 0 0 114 -2,-0.4 3,-0.1 4,-0.1 -1,-0.1 0.293 57.6 121.9 -98.4 6.2 26.8 13.0 44.7 24 24 A D S > S- 0 0 12 1,-0.2 3,-2.4 2,-0.1 -2,-0.1 -0.189 82.7 -66.4 -60.6 159.4 29.4 11.9 42.2 25 25 A T T 3 S+ 0 0 122 1,-0.3 -1,-0.2 70,-0.0 -2,-0.0 -0.274 127.6 23.4 -46.4 125.7 30.6 14.3 39.5 26 26 A G T 3 S- 0 0 83 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.258 100.4-136.1 96.8 -10.4 27.7 14.9 37.1 27 27 A G < + 0 0 30 -3,-2.4 2,-0.3 1,-0.1 -4,-0.1 -0.204 56.5 114.4 60.5-145.4 25.0 14.0 39.7 28 28 A G S S- 0 0 49 -6,-0.1 -6,-1.9 -5,-0.0 2,-0.3 -0.657 70.6 -42.0 82.8-137.4 22.1 11.9 38.6 29 29 A K E -B 21 0A 104 -2,-0.3 2,-0.3 -8,-0.3 -20,-0.3 -0.859 38.2-157.6-130.3 156.2 21.6 8.4 40.1 30 30 A N E -B 20 0A 0 -10,-2.6 -10,-2.2 -2,-0.3 2,-0.5 -0.915 28.1-113.9-123.0 161.5 23.5 5.3 41.0 31 31 A V E +BC 19 122A 0 91,-2.8 91,-2.2 -2,-0.3 -12,-0.2 -0.817 45.0 170.8 -88.4 133.0 22.4 1.8 41.5 32 32 A G E +B 18 0A 0 -14,-3.0 -14,-1.8 -2,-0.5 89,-0.1 -0.682 43.4 60.8-129.6-172.8 22.7 0.6 45.1 33 33 A Y + 0 0 138 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.923 66.6 169.2 54.3 48.0 21.7 -2.3 47.3 34 34 A I + 0 0 7 86,-0.6 85,-1.5 -3,-0.1 86,-0.4 -0.829 1.4 162.4 -97.0 125.4 23.7 -4.7 45.2 35 35 A D > - 0 0 88 -2,-0.5 3,-2.3 83,-0.2 80,-0.3 -0.873 49.0 -60.8-136.1 168.2 24.2 -8.2 46.6 36 36 A A T 3 S+ 0 0 70 -2,-0.3 80,-0.2 1,-0.3 3,-0.1 -0.260 123.8 22.9 -55.1 127.4 25.2 -11.7 45.4 37 37 A G T 3 S+ 0 0 40 78,-2.5 -1,-0.3 1,-0.4 79,-0.1 -0.009 93.5 123.0 103.2 -27.1 22.7 -12.8 42.8 38 38 A D < - 0 0 20 -3,-2.3 77,-2.9 -22,-0.1 -1,-0.4 -0.244 39.3-175.8 -66.9 155.1 21.5 -9.4 41.8 39 39 A W E -FG 15 114B 76 -24,-1.6 -24,-2.4 75,-0.2 2,-0.4 -0.988 24.2-148.2-153.7 161.7 21.8 -8.3 38.2 40 40 A L E -FG 14 113B 5 73,-2.4 73,-2.7 -2,-0.3 2,-0.5 -1.000 14.9-157.6-132.2 126.5 21.3 -5.4 35.7 41 41 A S E -FG 13 112B 11 -28,-3.0 -29,-2.0 -2,-0.4 -28,-1.3 -0.931 16.7-179.9-108.2 133.6 20.3 -5.9 32.1 42 42 A Y > + 0 0 4 69,-2.9 3,-1.6 -2,-0.5 69,-0.4 -0.070 45.7 123.5-111.9 29.6 21.0 -3.4 29.4 43 43 A A T 3 + 0 0 25 1,-0.3 -1,-0.1 67,-0.2 69,-0.1 0.790 64.5 66.1 -62.7 -28.5 19.4 -5.5 26.7 44 44 A G T 3 S+ 0 0 23 1,-0.3 107,-0.3 -3,-0.2 -1,-0.3 0.687 104.2 45.8 -65.0 -22.1 17.0 -2.6 25.8 45 45 A T S < S- 0 0 7 -3,-1.6 66,-0.3 66,-0.1 -1,-0.3 -0.731 82.4-160.8-122.8 78.9 20.0 -0.6 24.6 46 46 A P - 0 0 23 0, 0.0 102,-2.9 0, 0.0 2,-0.4 -0.317 8.6-144.8 -60.9 143.6 22.1 -2.8 22.3 47 47 A V E -J 109 0C 0 62,-2.4 62,-2.9 100,-0.3 2,-0.5 -0.925 9.5-130.1-112.9 136.5 25.7 -1.5 21.8 48 48 A N E -J 108 0C 21 -2,-0.4 60,-0.2 60,-0.2 58,-0.1 -0.753 11.9-159.4 -92.1 126.7 27.6 -1.9 18.5 49 49 A I E -J 107 0C 1 58,-2.7 58,-2.7 -2,-0.5 3,-0.1 -0.925 6.7-156.6-101.7 117.9 31.1 -3.3 18.6 50 50 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.803 69.3 7.2 -71.2 -31.7 32.8 -2.3 15.4 51 51 A S S S- 0 0 68 54,-0.1 2,-0.2 56,-0.1 53,-0.1 -0.992 81.3 -98.5-150.2 149.7 35.5 -5.1 15.2 52 52 A S S S+ 0 0 81 -2,-0.3 2,-0.3 -3,-0.1 53,-0.2 -0.455 77.0 65.2 -68.9 138.5 36.3 -8.2 17.1 53 53 A G E S-D 104 0A 20 51,-2.1 51,-2.5 -2,-0.2 2,-0.3 -0.980 81.5 -7.1 148.9-157.4 39.1 -7.9 19.7 54 54 A S E -D 103 0A 46 -2,-0.3 76,-0.7 49,-0.2 77,-0.4 -0.548 49.7-179.1 -83.1 132.0 40.1 -6.3 23.0 55 55 A Y E -DE 102 129A 5 47,-2.8 47,-2.2 -2,-0.3 2,-0.6 -0.962 23.4-133.0-127.5 144.8 37.9 -3.7 24.7 56 56 A L E -DE 101 128A 51 72,-2.4 72,-2.3 -2,-0.4 2,-0.5 -0.887 20.5-160.8 -97.9 118.8 38.5 -1.8 27.9 57 57 A I E -DE 100 127A 0 43,-2.9 43,-1.9 -2,-0.6 2,-0.4 -0.904 6.2-166.0-103.9 126.7 35.5 -1.8 30.2 58 58 A E E -DE 99 126A 35 68,-3.0 68,-2.4 -2,-0.5 2,-0.4 -0.868 3.6-164.8-110.9 144.8 35.3 0.9 32.9 59 59 A Y E -DE 98 125A 0 39,-2.5 39,-2.5 -2,-0.4 2,-0.8 -0.998 15.8-143.4-130.9 132.1 33.0 1.0 36.0 60 60 A R E +DE 97 124A 50 64,-2.6 63,-3.0 -2,-0.4 64,-0.6 -0.850 41.5 169.8 -94.8 107.4 32.3 4.0 38.2 61 61 A V E -DE 96 122A 0 35,-2.7 35,-2.2 -2,-0.8 2,-0.3 -0.820 30.1-166.7-128.3 156.9 32.0 2.4 41.6 62 62 A A E + E 0 121A 0 59,-1.5 59,-2.9 -2,-0.3 2,-0.3 -0.986 11.9 174.1-139.8 145.5 31.8 3.2 45.3 63 63 A S E -D 91 0A 0 28,-0.7 26,-2.8 31,-0.5 27,-1.0 -0.906 23.2-158.9-157.5 122.0 32.2 0.7 48.2 64 64 A Q S S+ 0 0 92 55,-0.4 26,-0.3 -2,-0.3 -1,-0.1 0.946 97.1 8.8 -64.0 -48.0 32.3 1.3 52.0 65 65 A N S S- 0 0 131 54,-0.4 23,-0.3 1,-0.3 -1,-0.1 0.437 94.3-137.8-120.0 -2.3 34.0 -1.9 52.9 66 66 A G + 0 0 16 53,-0.5 -1,-0.3 21,-0.3 -2,-0.1 -0.237 58.9 119.4 69.9-168.1 35.1 -3.6 49.7 67 67 A G + 0 0 68 19,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.358 49.0 127.6 93.2 -3.6 34.8 -7.3 49.0 68 68 A G E +H 86 0B 5 18,-0.9 18,-2.6 51,-0.2 2,-0.3 -0.352 31.3 178.8 -85.1 162.9 32.5 -7.0 45.9 69 69 A S E -HI 85 117B 35 48,-1.7 47,-1.7 16,-0.3 48,-1.5 -0.977 6.5-162.4-155.9 155.0 32.9 -8.4 42.5 70 70 A L E -HI 84 115B 0 14,-2.0 14,-2.1 -2,-0.3 2,-0.5 -0.944 14.2-136.9-137.2 163.8 30.9 -8.4 39.2 71 71 A T E -HI 83 114B 13 43,-2.6 43,-2.4 -2,-0.3 2,-0.5 -0.987 13.6-150.9-121.3 124.1 30.7 -10.4 36.0 72 72 A F E +HI 82 113B 4 10,-3.0 9,-2.6 -2,-0.5 10,-2.0 -0.852 39.8 135.6 -96.5 128.7 30.3 -8.5 32.7 73 73 A E E -HI 80 112B 22 39,-2.5 39,-2.5 -2,-0.5 2,-0.3 -0.831 58.7 -70.1-155.2 177.8 28.4 -10.6 30.2 74 74 A E E > - I 0 111B 28 5,-1.9 3,-2.3 37,-0.3 37,-0.3 -0.732 68.6 -89.3 -79.8 147.5 25.6 -10.7 27.6 75 75 A A T 3 S+ 0 0 31 35,-2.8 3,-0.3 -2,-0.3 37,-0.1 -0.268 119.0 39.3 -57.0 142.6 22.2 -10.3 29.1 76 76 A G T 3 S- 0 0 93 1,-0.2 -1,-0.3 -3,-0.1 35,-0.1 0.078 127.2 -85.1 94.0 -24.7 20.8 -13.7 30.0 77 77 A G S < S+ 0 0 24 -3,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.331 84.1 123.5 114.7 -5.8 24.3 -14.9 31.2 78 78 A A + 0 0 77 -3,-0.3 2,-0.1 1,-0.2 -1,-0.1 -0.990 60.6 25.3-151.7 140.0 26.2 -16.1 28.2 79 79 A P S S- 0 0 83 0, 0.0 -5,-1.9 0, 0.0 2,-0.4 0.561 78.6-148.7 -72.4 154.2 28.8 -15.5 26.9 80 80 A V E -H 73 0B 80 -7,-0.2 -7,-0.3 1,-0.1 3,-0.1 -0.747 10.8-169.8 -82.6 135.3 30.5 -14.1 29.9 81 81 A H E - 0 0 30 -9,-2.6 22,-0.4 -2,-0.4 2,-0.3 0.822 53.8 -45.7 -96.3 -39.9 33.1 -11.4 29.0 82 82 A G E -H 72 0B 14 -10,-2.0 -10,-3.0 20,-0.1 -1,-0.3 -0.975 42.2-121.0 179.1 168.8 35.0 -10.9 32.2 83 83 A T E -H 71 0B 92 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.892 19.9-169.4-125.5 157.4 35.1 -10.4 36.0 84 84 A I E -H 70 0B 22 -14,-2.1 -14,-2.0 -2,-0.3 2,-0.3 -0.996 20.2-128.5-150.0 140.7 36.4 -7.6 38.1 85 85 A A E -H 69 0B 76 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.0 -0.685 22.0-140.9 -84.3 139.9 37.0 -7.1 41.9 86 86 A I E -H 68 0B 3 -18,-2.6 -18,-0.9 -2,-0.3 -19,-0.5 -0.915 19.3-146.5-107.2 116.9 35.6 -3.9 43.4 87 87 A P - 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