==== 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 1UY0 . 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, . 260 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 66.9 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 . 130 50.0 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 . 19 7.3 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 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 0 179 0, 0.0 128,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -40.5 37.8 6.0 21.8 2 2 A V E +A 128 0A 61 126,-0.2 126,-0.2 1,-0.2 3,-0.1 -0.594 360.0 179.6 -79.7 124.2 34.4 5.8 23.8 3 3 A I E - 0 0 18 124,-2.8 2,-0.3 -2,-0.4 45,-0.2 0.868 68.7 -16.2 -86.2 -48.4 31.9 3.2 22.4 4 4 A A E -A 127 0A 0 123,-1.5 123,-2.8 43,-0.1 2,-0.5 -0.970 45.2-153.2-157.3 143.2 29.2 3.8 25.1 5 5 A T E -A 126 0A 15 162,-0.4 2,-0.5 -2,-0.3 121,-0.2 -0.995 21.6-171.2-111.9 129.0 28.6 5.3 28.4 6 6 A I E -A 125 0A 7 119,-3.0 119,-2.6 -2,-0.5 2,-0.3 -0.973 20.3-135.7-120.4 117.3 25.7 3.7 30.3 7 7 A Q E > -A 124 0A 46 -2,-0.5 3,-1.9 117,-0.2 117,-0.3 -0.584 21.2-131.2 -67.0 134.2 24.4 5.2 33.5 8 8 A A T 3 S+ 0 0 0 115,-1.9 3,-0.3 1,-0.3 116,-0.2 0.803 105.1 56.1 -63.5 -31.0 23.9 2.2 35.8 9 9 A E T 3 S+ 0 0 30 114,-0.5 2,-0.9 20,-0.3 -1,-0.3 0.629 86.7 83.9 -72.6 -14.9 20.4 3.3 36.8 10 10 A D < + 0 0 42 -3,-1.9 2,-0.2 2,-0.0 -1,-0.2 -0.163 63.4 141.2 -88.4 44.0 19.3 3.2 33.1 11 11 A H - 0 0 47 -2,-0.9 31,-0.2 -3,-0.3 3,-0.1 -0.601 52.1-146.7 -83.2 145.6 18.7 -0.5 33.1 12 12 A S S S+ 0 0 56 29,-1.9 2,-0.3 -2,-0.2 30,-0.2 0.724 87.3 6.2 -80.7 -25.7 15.8 -2.1 31.3 13 13 A Q E S+F 41 0B 123 28,-1.3 28,-2.9 2,-0.0 2,-0.3 -0.978 70.4 173.0-148.4 157.8 15.4 -4.7 34.0 14 14 A Q E -F 40 0B 66 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.976 18.0-144.2-154.8 168.9 17.0 -5.4 37.3 15 15 A S E S-F 39 0B 49 24,-2.4 24,-1.5 -2,-0.3 3,-0.1 -0.970 73.6 -6.2-141.4 128.1 16.9 -7.7 40.4 16 16 A G S S+ 0 0 45 -2,-0.3 2,-0.2 1,-0.2 22,-0.1 0.388 99.3 100.9 86.5 -1.2 17.5 -6.9 44.0 17 17 A T - 0 0 21 22,-0.2 2,-0.3 17,-0.1 -1,-0.2 -0.561 49.0-153.6-117.4 173.3 18.7 -3.2 43.8 18 18 A Q E -B 32 0A 112 14,-1.8 14,-2.9 -2,-0.2 2,-0.2 -0.995 19.4-122.9-145.0 143.6 17.5 0.3 44.4 19 19 A Q E +B 31 0A 98 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.486 31.2 176.2 -82.8 157.9 18.6 3.6 42.9 20 20 A E E -B 30 0A 47 10,-2.1 10,-2.8 -2,-0.2 2,-0.1 -0.979 38.0 -82.7-154.3 159.6 19.7 6.5 45.1 21 21 A T E -B 29 0A 90 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.429 43.4-149.3 -66.2 138.2 21.0 10.0 44.7 22 22 A T - 0 0 4 6,-1.9 6,-0.2 -2,-0.1 71,-0.1 -0.881 18.3-159.9-109.3 146.7 24.7 10.2 44.1 23 23 A T + 0 0 112 -2,-0.4 3,-0.1 4,-0.1 -1,-0.1 0.266 57.6 120.3-101.3 8.2 27.1 13.0 45.1 24 24 A D S > S- 0 0 13 1,-0.2 3,-2.4 2,-0.1 -2,-0.1 -0.213 83.7 -65.6 -58.3 160.3 29.7 11.9 42.6 25 25 A T T 3 S+ 0 0 125 1,-0.3 -1,-0.2 70,-0.0 -2,-0.0 -0.277 127.7 23.9 -48.0 128.6 30.7 14.4 39.8 26 26 A G T 3 S- 0 0 81 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.235 100.3-136.0 94.0 -11.9 27.7 15.1 37.5 27 27 A G < + 0 0 31 -3,-2.4 2,-0.4 1,-0.1 -4,-0.1 -0.201 56.5 116.0 59.5-147.6 25.2 14.2 40.2 28 28 A G - 0 0 47 -6,-0.2 -6,-1.9 -5,-0.0 2,-0.3 -0.709 69.6 -44.7 87.8-138.9 22.2 12.1 39.2 29 29 A K E -B 21 0A 70 -2,-0.4 -20,-0.3 -8,-0.3 2,-0.3 -0.914 38.8-159.0-131.4 156.9 21.7 8.6 40.6 30 30 A N E -B 20 0A 0 -10,-2.8 -10,-2.1 -2,-0.3 2,-0.4 -0.902 29.9-107.5-124.8 163.9 23.6 5.4 41.4 31 31 A V E +BC 19 122A 0 91,-2.9 91,-2.0 -2,-0.3 -12,-0.2 -0.767 47.0 171.4 -85.6 132.0 22.6 1.8 41.9 32 32 A G E +B 18 0A 0 -14,-2.9 -14,-1.8 -2,-0.4 89,-0.1 -0.710 43.0 56.9-129.8-174.5 22.8 0.8 45.5 33 33 A Y + 0 0 146 -2,-0.2 2,-0.4 -16,-0.2 -1,-0.2 0.928 68.9 173.0 50.7 53.0 21.8 -2.1 47.8 34 34 A I + 0 0 8 86,-0.6 85,-1.3 -3,-0.1 86,-0.3 -0.756 3.1 163.5 -96.6 132.1 23.8 -4.6 45.7 35 35 A D > - 0 0 90 -2,-0.4 3,-2.4 83,-0.2 80,-0.2 -0.929 48.2 -62.3-141.1 165.9 24.2 -8.1 47.0 36 36 A A T 3 S+ 0 0 69 -2,-0.3 80,-0.2 1,-0.3 3,-0.1 -0.273 122.9 23.1 -52.2 126.9 25.2 -11.6 45.7 37 37 A G T 3 S+ 0 0 39 78,-2.4 -1,-0.3 1,-0.4 79,-0.1 0.029 92.4 123.4 102.4 -25.6 22.7 -12.7 43.1 38 38 A D < - 0 0 20 -3,-2.4 77,-3.1 -22,-0.1 -1,-0.4 -0.284 38.8-176.8 -67.0 155.5 21.5 -9.2 42.1 39 39 A W E -FG 15 114B 77 -24,-1.5 -24,-2.4 75,-0.2 2,-0.4 -0.982 24.4-147.1-155.9 163.1 21.7 -8.0 38.5 40 40 A L E -FG 14 113B 7 73,-2.4 73,-2.7 -2,-0.3 2,-0.4 -1.000 14.7-157.4-133.8 128.9 21.2 -5.2 36.1 41 41 A S E -FG 13 112B 12 -28,-2.9 -29,-1.9 -2,-0.4 -28,-1.3 -0.940 15.8-177.8-111.5 136.8 20.2 -5.6 32.4 42 42 A Y > + 0 0 1 69,-2.8 3,-1.7 -2,-0.4 69,-0.4 -0.092 44.9 125.5-115.8 30.2 20.8 -3.1 29.6 43 43 A A T 3 + 0 0 24 1,-0.3 -1,-0.1 67,-0.2 69,-0.1 0.805 65.4 63.7 -60.6 -29.3 19.0 -5.1 27.0 44 44 A G T 3 S+ 0 0 19 1,-0.3 106,-0.5 -3,-0.2 -1,-0.3 0.666 105.5 46.1 -69.9 -17.2 16.8 -2.2 26.1 45 45 A T S < S- 0 0 7 -3,-1.7 66,-0.3 104,-0.1 -1,-0.3 -0.701 81.9-163.0-125.5 77.6 19.8 -0.2 25.0 46 46 A P - 0 0 26 0, 0.0 101,-2.9 0, 0.0 2,-0.4 -0.297 9.2-142.9 -62.5 147.9 21.9 -2.4 22.7 47 47 A V E -J 109 0C 0 62,-2.5 62,-3.0 99,-0.3 2,-0.5 -0.934 9.1-132.4-116.7 134.6 25.5 -1.2 22.1 48 48 A N E -J 108 0C 15 -2,-0.4 60,-0.2 60,-0.2 58,-0.1 -0.766 11.1-157.5 -92.2 126.0 27.2 -1.7 18.8 49 49 A I E -J 107 0C 1 58,-2.9 58,-2.9 -2,-0.5 3,-0.1 -0.912 6.2-155.0-101.4 120.7 30.7 -3.1 18.8 50 50 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.767 70.2 4.8 -72.3 -28.0 32.4 -2.0 15.5 51 51 A S S S- 0 0 65 54,-0.1 2,-0.2 56,-0.1 53,-0.1 -0.990 81.6 -96.9-154.3 150.9 35.0 -4.8 15.3 52 52 A S S S+ 0 0 81 -2,-0.3 2,-0.3 54,-0.1 53,-0.2 -0.462 76.7 66.2 -70.7 139.2 35.9 -8.0 17.2 53 53 A G E S-D 104 0A 21 51,-2.2 51,-2.5 -2,-0.2 2,-0.3 -0.978 81.1 -8.2 150.2-157.6 38.7 -7.7 19.7 54 54 A S E +D 103 0A 55 -2,-0.3 76,-0.8 49,-0.2 2,-0.3 -0.546 50.8 179.4 -82.9 129.5 39.8 -6.2 23.0 55 55 A Y E -DE 102 129A 6 47,-2.7 47,-2.2 -2,-0.3 2,-0.6 -0.968 24.8-130.7-125.9 148.2 37.6 -3.5 24.7 56 56 A L E -DE 101 128A 33 72,-2.4 72,-2.6 -2,-0.3 2,-0.5 -0.865 20.2-160.2 -98.4 121.4 38.3 -1.7 28.0 57 57 A I E -DE 100 127A 0 43,-3.1 43,-1.9 -2,-0.6 2,-0.4 -0.930 7.5-166.0-106.1 124.3 35.3 -1.8 30.4 58 58 A E E -DE 99 126A 32 68,-3.1 68,-2.4 -2,-0.5 2,-0.4 -0.856 4.3-164.6-110.8 145.0 35.2 0.9 33.1 59 59 A Y E -DE 98 125A 0 39,-2.7 39,-2.5 -2,-0.4 2,-0.8 -0.996 15.3-144.1-131.6 129.3 33.0 1.0 36.2 60 60 A R E +DE 97 124A 48 64,-2.6 63,-3.1 -2,-0.4 64,-0.6 -0.860 41.4 168.5 -93.8 107.9 32.4 4.0 38.4 61 61 A V E -DE 96 122A 0 35,-2.6 35,-2.3 -2,-0.8 2,-0.3 -0.817 30.2-167.5-129.4 156.7 32.1 2.4 41.9 62 62 A A E +DE 95 121A 0 59,-1.5 59,-2.9 -2,-0.3 2,-0.3 -0.985 12.0 174.4-142.0 143.4 32.0 3.2 45.6 63 63 A S E -D 91 0A 0 28,-0.6 26,-2.9 31,-0.5 27,-1.3 -0.898 23.6-158.3-155.6 124.8 32.4 0.8 48.5 64 64 A Q S S+ 0 0 93 55,-0.3 26,-0.3 -2,-0.3 -1,-0.1 0.941 97.1 9.6 -65.9 -48.5 32.6 1.4 52.3 65 65 A N S S- 0 0 126 54,-0.4 23,-0.3 1,-0.3 -1,-0.1 0.421 94.6-138.1-116.7 -2.9 34.3 -1.9 53.2 66 66 A G + 0 0 15 53,-0.5 -1,-0.3 21,-0.3 -2,-0.1 -0.250 58.9 118.3 70.7-168.7 35.3 -3.6 49.9 67 67 A G + 0 0 70 19,-0.5 -1,-0.1 1,-0.3 53,-0.1 0.328 48.2 128.1 90.7 -2.5 34.9 -7.3 49.1 68 68 A G E +H 86 0B 4 18,-0.8 18,-2.5 51,-0.2 2,-0.3 -0.340 30.8 178.1 -81.6 163.3 32.5 -6.9 46.2 69 69 A S E -HI 85 117B 36 48,-1.5 47,-2.1 16,-0.3 48,-1.4 -0.970 6.6-163.3-156.2 157.1 32.8 -8.4 42.7 70 70 A L E -HI 84 115B 0 14,-2.0 14,-2.1 -2,-0.3 2,-0.4 -0.953 14.9-136.5-137.9 161.3 30.8 -8.5 39.4 71 71 A T E -HI 83 114B 14 43,-2.5 43,-2.4 -2,-0.3 2,-0.5 -0.974 14.6-150.7-117.1 129.3 30.5 -10.3 36.2 72 72 A F E +HI 82 113B 0 10,-3.0 9,-2.6 -2,-0.4 10,-1.9 -0.892 40.2 133.4-101.6 127.2 30.1 -8.4 32.9 73 73 A E E -HI 80 112B 19 39,-2.5 39,-2.3 -2,-0.5 2,-0.3 -0.785 58.5 -64.7-154.3-177.3 28.1 -10.5 30.4 74 74 A E E > - I 0 111B 30 5,-1.5 3,-2.6 37,-0.3 37,-0.3 -0.740 67.9 -89.0 -81.6 147.1 25.3 -10.5 27.9 75 75 A A T 3 S+ 0 0 29 35,-3.1 3,-0.3 -2,-0.3 37,-0.1 -0.296 119.1 38.2 -53.6 133.4 21.9 -9.9 29.3 76 76 A G T 3 S- 0 0 90 1,-0.2 -1,-0.3 -3,-0.0 35,-0.1 0.112 127.1 -82.7 103.4 -24.0 20.5 -13.3 30.3 77 77 A G S < S+ 0 0 26 -3,-2.6 -1,-0.2 2,-0.2 -2,-0.1 0.223 85.3 114.6 120.4 -15.4 23.8 -14.6 31.5 78 78 A A + 0 0 79 -3,-0.3 2,-0.1 1,-0.2 -5,-0.1 -0.993 58.8 31.7-152.5 143.1 25.9 -15.9 28.5 79 79 A P S S- 0 0 80 0, 0.0 -5,-1.5 0, 0.0 2,-0.4 0.535 77.9-149.0 -70.2 151.3 28.4 -15.4 27.1 80 80 A V E -H 73 0B 80 -7,-0.2 -7,-0.3 1,-0.1 3,-0.1 -0.719 12.5-171.2 -84.1 136.3 30.3 -14.0 30.0 81 81 A H E - 0 0 32 -9,-2.6 22,-0.4 -2,-0.4 2,-0.3 0.806 54.0 -42.7 -98.4 -40.2 32.8 -11.4 29.1 82 82 A G E -H 72 0B 14 -10,-1.9 -10,-3.0 20,-0.1 -1,-0.3 -0.977 42.3-123.8-179.7 169.2 34.8 -10.8 32.3 83 83 A T E -H 71 0B 93 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.902 20.0-170.6-128.9 156.6 34.9 -10.4 36.1 84 84 A I E -H 70 0B 22 -14,-2.1 -14,-2.0 -2,-0.3 2,-0.3 -0.994 20.3-128.7-152.0 137.4 36.3 -7.7 38.3 85 85 A A E -H 69 0B 76 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.0 -0.689 22.1-139.4 -82.6 140.0 36.9 -7.1 42.0 86 86 A I E -H 68 0B 3 -18,-2.5 -18,-0.8 -2,-0.3 -19,-0.5 -0.908 19.8-144.6-106.1 117.9 35.5 -3.9 43.5 87 87 A P - 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