==== 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 1UZ0 . 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, . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 69.5 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 . 63 48.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 13 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 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 . 1 0 3 1 1 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 0 172 0, 0.0 128,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 171.9 5.2 -2.2 -0.5 2 2 A V E -A 128 0A 64 126,-0.2 126,-0.2 1,-0.2 3,-0.1 -0.646 360.0-175.1 -79.6 124.6 3.1 0.0 1.8 3 3 A I E - 0 0 56 124,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.899 67.1 -23.9 -81.7 -47.4 4.0 -0.6 5.5 4 4 A A E -A 127 0A 27 123,-1.4 123,-2.7 43,-0.1 2,-0.5 -0.990 42.5-142.5-162.8 147.0 1.3 1.7 6.8 5 5 A T E -A 126 0A 64 -2,-0.3 2,-0.6 121,-0.2 121,-0.2 -0.991 27.2-163.5-106.0 119.1 -0.9 4.7 6.0 6 6 A I E -A 125 0A 18 119,-2.9 119,-2.4 -2,-0.5 2,-0.3 -0.913 14.2-137.3-108.7 116.5 -1.3 6.8 9.1 7 7 A Q E > -A 124 0A 60 -2,-0.6 3,-1.9 117,-0.2 117,-0.3 -0.569 17.2-132.7 -66.9 130.0 -4.2 9.3 9.2 8 8 A A G > S+ 0 0 0 115,-2.0 3,-0.7 1,-0.3 116,-0.2 0.832 104.0 60.1 -54.5 -37.7 -2.7 12.5 10.7 9 9 A E G 3 S+ 0 0 28 114,-0.5 -1,-0.3 20,-0.3 21,-0.1 0.480 85.6 81.4 -72.6 -4.5 -5.7 12.8 13.1 10 10 A D G < + 0 0 96 -3,-1.9 -1,-0.2 35,-0.0 -2,-0.1 0.089 62.9 140.4 -93.5 28.4 -5.0 9.4 14.7 11 11 A H < - 0 0 37 -3,-0.7 31,-0.2 1,-0.1 3,-0.1 -0.343 49.0-150.2 -65.7 149.8 -2.4 10.7 17.0 12 12 A S S S+ 0 0 46 29,-2.3 2,-0.3 1,-0.3 30,-0.2 0.715 84.9 6.3 -89.2 -29.3 -2.1 9.5 20.5 13 13 A Q E S+F 41 0B 104 28,-1.2 28,-2.9 2,-0.0 -1,-0.3 -0.973 70.4 169.3-148.1 150.2 -0.7 12.8 21.8 14 14 A Q E -F 40 0B 68 -2,-0.3 2,-0.4 26,-0.2 26,-0.2 -0.982 21.1-140.7-152.2 166.8 -0.2 16.2 20.2 15 15 A S E S-F 39 0B 49 24,-2.5 24,-1.8 -2,-0.3 3,-0.1 -0.978 74.2 -9.8-137.6 123.0 0.7 19.8 21.1 16 16 A G S S+ 0 0 43 -2,-0.4 2,-0.2 1,-0.2 22,-0.1 0.356 97.8 103.7 86.6 2.9 -0.8 22.9 19.6 17 17 A T - 0 0 12 22,-0.3 2,-0.3 17,-0.1 -1,-0.2 -0.488 48.7-150.4-108.8 175.2 -2.8 21.7 16.7 18 18 A Q E -B 32 0A 119 14,-1.9 14,-3.2 -2,-0.2 2,-0.2 -0.993 14.6-123.0-145.6 151.0 -6.4 21.1 15.9 19 19 A Q E +B 31 0A 61 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.534 30.0 171.7 -89.9 151.1 -8.5 18.8 13.7 20 20 A E E -B 30 0A 51 10,-2.0 10,-2.6 -2,-0.2 2,-0.2 -0.960 40.6 -83.9-150.6 160.8 -10.9 19.9 11.0 21 21 A T E -B 29 0A 102 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.502 43.8-145.2 -65.8 135.8 -12.9 18.3 8.2 22 22 A T - 0 0 4 6,-2.4 6,-0.1 -2,-0.2 71,-0.1 -0.874 17.6-161.2-103.5 148.3 -11.0 17.8 5.0 23 23 A T + 0 0 112 -2,-0.4 3,-0.1 4,-0.1 -1,-0.1 0.295 56.8 120.8-102.8 5.6 -12.4 18.1 1.5 24 24 A D S > S- 0 0 13 1,-0.2 3,-2.0 3,-0.1 -2,-0.1 -0.191 84.0 -67.1 -56.4 162.2 -9.5 16.1 0.1 25 25 A T T 3 S+ 0 0 123 1,-0.3 -1,-0.2 70,-0.0 -2,-0.0 -0.334 126.2 23.5 -53.7 130.0 -10.3 12.9 -1.7 26 26 A G T 3 S- 0 0 84 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.145 99.9-136.9 94.1 -15.3 -11.7 10.3 0.7 27 27 A G < + 0 0 30 -3,-2.0 2,-0.3 1,-0.1 -4,-0.1 -0.260 56.1 114.0 67.1-154.3 -12.9 12.9 3.2 28 28 A G S S- 0 0 49 -6,-0.1 -6,-2.4 -5,-0.0 2,-0.3 -0.638 71.9 -42.8 82.1-134.8 -12.5 12.5 7.0 29 29 A K E -B 21 0A 89 -2,-0.3 2,-0.3 -8,-0.3 -20,-0.3 -0.841 38.2-154.3-131.1 162.7 -10.3 15.0 8.7 30 30 A N E -B 20 0A 0 -10,-2.6 -10,-2.0 -2,-0.3 2,-0.5 -0.893 27.0-114.9-126.4 160.1 -6.9 16.8 8.6 31 31 A V E +BC 19 122A 0 91,-2.8 91,-2.4 -2,-0.3 -12,-0.2 -0.864 47.5 161.4 -87.4 128.3 -4.7 18.3 11.2 32 32 A G E +B 18 0A 0 -14,-3.2 -14,-1.9 -2,-0.5 89,-0.1 -0.688 39.0 67.3-128.0-164.8 -4.4 22.0 10.9 33 33 A Y + 0 0 147 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.890 66.7 171.2 52.5 45.2 -3.4 25.1 12.8 34 34 A I + 0 0 9 86,-0.6 85,-1.6 -3,-0.1 86,-0.5 -0.780 6.2 175.5 -93.8 123.7 0.2 23.9 12.8 35 35 A D > - 0 0 93 -2,-0.5 3,-2.8 83,-0.2 80,-0.3 -0.834 44.4 -69.9-120.7 157.2 2.8 26.4 14.0 36 36 A A T 3 S+ 0 0 65 -2,-0.3 80,-0.2 1,-0.3 81,-0.1 -0.249 122.9 20.7 -43.8 128.7 6.6 26.2 14.6 37 37 A G T 3 S+ 0 0 44 78,-3.2 -1,-0.3 1,-0.3 79,-0.1 0.155 92.1 127.1 86.3 -16.2 7.2 23.9 17.6 38 38 A D < - 0 0 22 -3,-2.8 77,-2.7 77,-0.2 -1,-0.3 -0.324 38.8-172.8 -63.8 159.1 3.9 22.1 17.4 39 39 A W E -FG 15 114B 96 -24,-1.8 -24,-2.5 75,-0.2 2,-0.4 -0.986 22.7-149.8-158.3 157.5 4.0 18.3 17.2 40 40 A L E -FG 14 113B 5 73,-2.4 73,-2.4 -2,-0.3 2,-0.4 -0.998 13.6-155.0-130.6 139.6 2.1 15.1 16.7 41 41 A S E -FG 13 112B 11 -28,-2.9 -29,-2.3 -2,-0.4 -28,-1.2 -0.952 18.1-178.2-119.2 138.5 2.8 11.7 18.2 42 42 A Y > + 0 0 4 69,-3.0 3,-2.1 -2,-0.4 69,-0.3 0.003 46.2 124.0-116.1 30.3 1.9 8.3 16.9 43 43 A A T 3 + 0 0 19 1,-0.3 -1,-0.1 67,-0.2 69,-0.1 0.796 67.0 64.8 -62.8 -27.3 3.4 6.3 19.9 44 44 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.597 104.6 46.5 -71.2 -15.0 -0.0 4.7 20.5 45 45 A T S < S- 0 0 68 -3,-2.1 66,-0.3 66,-0.1 -1,-0.2 -0.785 83.8-159.2-131.2 81.0 0.2 2.9 17.1 46 46 A P - 0 0 69 0, 0.0 2,-0.5 0, 0.0 64,-0.2 -0.314 5.5-146.6 -56.8 146.6 3.7 1.4 16.8 47 47 A V E -J 109 0C 12 62,-2.6 62,-2.6 60,-0.1 2,-0.5 -0.994 8.8-136.9-121.8 122.6 4.8 0.6 13.2 48 48 A N E -J 108 0C 110 -2,-0.5 60,-0.2 60,-0.2 58,-0.1 -0.673 9.9-154.5 -80.1 125.1 7.1 -2.4 12.6 49 49 A I E -J 107 0C 3 58,-2.9 58,-2.9 -2,-0.5 3,-0.1 -0.915 5.6-157.4-100.4 115.5 9.9 -1.7 10.2 50 50 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.763 66.5 11.7 -71.6 -29.5 10.8 -5.1 8.7 51 51 A S S S- 0 0 30 56,-0.1 2,-0.3 54,-0.1 53,-0.2 -0.990 79.0-103.0-151.8 149.8 14.4 -4.4 7.6 52 52 A S S S+ 0 0 79 -2,-0.3 2,-0.3 53,-0.1 53,-0.2 -0.619 79.4 69.8 -76.8 126.2 17.1 -1.8 8.1 53 53 A G E S-D 104 0A 21 51,-2.0 51,-2.4 -2,-0.3 2,-0.2 -0.987 81.3 -13.2 157.5-163.5 17.2 0.4 4.9 54 54 A S E -D 103 0A 31 -2,-0.3 76,-1.9 49,-0.2 2,-0.4 -0.473 46.9-178.1 -82.2 135.2 15.5 3.0 2.8 55 55 A Y E -DE 102 129A 0 47,-3.2 47,-2.8 -2,-0.2 2,-0.6 -0.999 22.2-137.2-128.1 135.4 11.8 4.0 3.3 56 56 A L E -DE 101 128A 33 72,-2.1 72,-2.4 -2,-0.4 2,-0.5 -0.843 20.3-159.8 -89.4 120.7 9.9 6.5 1.2 57 57 A I E -DE 100 127A 0 43,-2.8 43,-1.7 -2,-0.6 2,-0.4 -0.891 5.6-164.4-106.6 125.7 7.7 8.6 3.4 58 58 A E E -DE 99 126A 22 68,-3.0 68,-2.7 -2,-0.5 2,-0.4 -0.919 2.9-164.6-112.5 137.4 4.8 10.4 1.8 59 59 A Y E -DE 98 125A 0 39,-2.4 39,-2.5 -2,-0.4 2,-0.8 -0.990 14.9-144.0-126.5 127.4 2.8 13.3 3.3 60 60 A R E +DE 97 124A 46 64,-2.4 63,-3.2 -2,-0.4 64,-0.6 -0.856 41.5 170.3 -94.1 108.8 -0.5 14.5 2.1 61 61 A V E -DE 96 122A 0 35,-2.8 35,-2.2 -2,-0.8 2,-0.3 -0.868 30.5-167.8-130.8 156.8 -0.3 18.2 2.6 62 62 A A E +DE 95 121A 0 59,-1.4 59,-3.0 -2,-0.3 2,-0.3 -0.990 10.1 175.3-142.0 143.5 -1.9 21.6 1.9 63 63 A S - 0 0 0 28,-0.6 26,-3.1 31,-0.5 27,-1.8 -0.878 20.9-160.3-153.1 120.4 -0.6 25.1 2.4 64 64 A Q S S+ 0 0 81 -2,-0.3 26,-0.3 26,-0.2 -1,-0.1 0.956 95.5 7.9 -57.1 -52.0 -2.1 28.5 1.5 65 65 A N S S- 0 0 123 54,-0.3 23,-0.2 1,-0.3 -1,-0.2 0.380 96.3-133.4-120.4 -4.3 1.2 30.6 1.5 66 66 A G + 0 0 16 53,-0.5 -1,-0.3 21,-0.3 -2,-0.1 -0.267 60.9 120.3 77.8-171.3 4.1 28.1 1.8 67 67 A G + 0 0 66 19,-0.4 2,-0.1 1,-0.3 53,-0.1 0.424 46.6 137.8 92.6 1.0 7.0 28.4 4.2 68 68 A G E -H 86 0B 5 18,-0.9 18,-2.6 51,-0.2 2,-0.3 -0.442 27.5-178.5 -85.5 156.3 6.4 25.1 6.1 69 69 A S E -HI 85 117B 31 48,-1.7 47,-2.2 16,-0.3 48,-1.6 -0.982 2.7-170.4-150.8 138.6 8.8 22.5 7.3 70 70 A L E -HI 84 115B 0 14,-2.4 14,-2.4 -2,-0.3 2,-0.5 -0.968 13.5-146.8-130.2 152.1 8.5 19.2 9.2 71 71 A T E -HI 83 114B 10 43,-2.7 43,-2.4 -2,-0.3 2,-0.5 -0.976 11.5-147.9-113.8 131.4 10.8 16.7 10.8 72 72 A F E +HI 82 113B 3 10,-3.0 9,-2.8 -2,-0.5 10,-1.8 -0.842 39.8 149.4 -94.8 122.3 9.9 13.0 10.8 73 73 A E E -HI 80 112B 15 39,-2.5 39,-2.4 -2,-0.5 2,-0.3 -0.842 52.2 -78.8-143.8 176.1 11.3 11.5 13.9 74 74 A E E > - I 0 111B 30 5,-2.4 3,-2.4 -2,-0.2 4,-0.3 -0.713 68.1 -89.1 -81.1 138.0 10.9 8.8 16.7 75 75 A A T 3 S+ 0 0 27 35,-2.9 3,-0.2 -2,-0.3 -1,-0.1 -0.257 119.1 38.3 -51.9 126.2 8.2 9.9 19.1 76 76 A G T 3 S- 0 0 89 1,-0.1 -1,-0.3 -3,-0.0 35,-0.1 0.152 126.3 -84.4 112.8 -19.5 9.9 11.9 21.8 77 77 A G S < S+ 0 0 26 -3,-2.4 -2,-0.2 2,-0.2 -1,-0.1 0.353 86.6 118.2 105.1 -1.0 12.2 13.6 19.5 78 78 A A + 0 0 77 -4,-0.3 2,-0.2 -3,-0.2 -5,-0.1 -0.972 60.9 28.1-157.3 138.5 15.2 11.3 19.0 79 79 A P S S- 0 0 79 0, 0.0 -5,-2.4 0, 0.0 2,-0.4 0.635 79.4-146.6 -69.3 163.4 16.4 9.9 16.8 80 80 A V E -H 73 0B 83 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.797 11.2-169.0 -90.9 141.2 15.4 12.2 13.9 81 81 A H E - 0 0 33 -9,-2.8 22,-0.4 1,-0.4 2,-0.3 0.800 55.1 -42.8-103.1 -40.7 14.8 10.6 10.6 82 82 A G E -H 72 0B 17 -10,-1.8 -10,-3.0 20,-0.1 -1,-0.4 -0.941 43.2-127.3-177.9 167.2 14.5 13.4 8.1 83 83 A T E -H 71 0B 86 -2,-0.3 2,-0.3 -12,-0.3 -12,-0.2 -0.941 21.1-174.6-125.5 152.3 13.2 16.9 7.3 84 84 A I E -H 70 0B 22 -14,-2.4 -14,-2.4 -2,-0.3 2,-0.3 -0.999 22.2-125.1-149.2 140.9 11.2 18.1 4.4 85 85 A A E -H 69 0B 75 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.0 -0.608 20.3-137.2 -82.6 143.4 9.9 21.4 3.1 86 86 A I E -H 68 0B 4 -18,-2.6 -18,-0.9 -2,-0.3 -19,-0.4 -0.859 20.7-144.4-102.0 120.2 6.2 21.9 2.5 87 87 A P - 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