==== 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 1UYX . 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) . 11067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.0 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 . 125 48.1 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 . 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 1 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 . 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 0 164 0, 0.0 128,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-163.2 37.8 6.3 21.8 2 2 A V E -A 128 0A 36 126,-0.2 126,-0.2 1,-0.2 3,-0.1 -0.644 360.0-179.0 -84.1 127.7 34.5 5.8 23.7 3 3 A I E S- 0 0 21 124,-2.8 2,-0.3 -2,-0.4 45,-0.2 0.867 70.4 -16.2 -85.9 -48.6 32.0 3.3 22.3 4 4 A A E -A 127 0A 0 123,-1.5 123,-2.7 43,-0.1 2,-0.5 -0.976 44.9-153.3-157.0 145.3 29.4 3.9 25.0 5 5 A T E -A 126 0A 15 162,-0.4 2,-0.5 -2,-0.3 121,-0.2 -0.996 21.3-170.5-113.2 128.2 28.7 5.4 28.4 6 6 A I E -A 125 0A 13 119,-2.9 119,-2.5 -2,-0.5 2,-0.3 -0.977 19.8-136.0-119.6 116.2 25.8 3.7 30.2 7 7 A Q E > -A 124 0A 46 -2,-0.5 3,-1.9 117,-0.2 117,-0.3 -0.567 21.4-130.6 -66.7 132.5 24.5 5.2 33.4 8 8 A A T 3 S+ 0 0 0 115,-2.1 3,-0.3 1,-0.3 116,-0.2 0.819 105.1 55.5 -60.3 -34.2 24.0 2.3 35.8 9 9 A E T 3 S+ 0 0 28 114,-0.5 2,-0.5 20,-0.3 -1,-0.3 0.587 86.5 83.6 -72.7 -13.3 20.5 3.3 36.7 10 10 A D < + 0 0 40 -3,-1.9 -1,-0.2 2,-0.0 2,-0.2 -0.162 63.2 140.5 -87.8 40.1 19.4 3.3 33.0 11 11 A H - 0 0 44 -2,-0.5 31,-0.2 -3,-0.3 3,-0.1 -0.543 52.5-145.8 -79.9 146.5 18.8 -0.5 33.1 12 12 A S S S+ 0 0 57 29,-2.0 2,-0.3 1,-0.3 30,-0.2 0.687 87.2 7.2 -83.3 -23.2 15.8 -2.0 31.2 13 13 A Q E S+F 41 0B 123 28,-1.3 28,-2.9 2,-0.0 2,-0.3 -0.977 70.2 174.5-149.3 158.7 15.5 -4.6 34.0 14 14 A Q E -F 40 0B 67 -2,-0.3 2,-0.4 26,-0.2 26,-0.2 -0.980 17.6-145.0-155.1 166.9 17.1 -5.3 37.4 15 15 A S E S-F 39 0B 48 24,-2.4 24,-1.6 -2,-0.3 3,-0.1 -0.973 74.0 -7.0-140.3 125.6 17.0 -7.6 40.4 16 16 A G S S+ 0 0 44 -2,-0.4 2,-0.2 1,-0.2 22,-0.1 0.394 100.6 98.8 87.7 0.2 17.6 -6.7 44.1 17 17 A T - 0 0 19 22,-0.2 2,-0.3 17,-0.1 -1,-0.2 -0.566 50.3-151.2-118.0 176.9 18.8 -3.1 43.8 18 18 A Q E -B 32 0A 111 14,-1.8 14,-2.9 -2,-0.2 2,-0.1 -0.992 20.0-117.2-150.9 144.1 17.6 0.4 44.2 19 19 A Q E +B 31 0A 100 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.463 34.8 173.5 -75.6 150.3 18.5 3.8 42.8 20 20 A E E -B 30 0A 47 10,-2.0 10,-2.9 -2,-0.1 2,-0.1 -0.979 37.9 -86.4-154.2 160.1 19.7 6.7 45.0 21 21 A T E -B 29 0A 92 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.446 41.5-152.1 -69.0 137.6 21.1 10.2 44.6 22 22 A T - 0 0 4 6,-1.9 6,-0.1 -2,-0.1 71,-0.1 -0.904 18.8-159.0-110.7 145.7 24.9 10.4 44.0 23 23 A T + 0 0 112 -2,-0.4 3,-0.1 4,-0.1 -1,-0.1 0.248 57.2 121.8-100.3 8.7 27.2 13.3 44.9 24 24 A D S > S- 0 0 11 1,-0.2 3,-2.5 2,-0.1 -2,-0.1 -0.221 83.3 -64.3 -59.2 159.9 29.8 12.1 42.3 25 25 A T T 3 S+ 0 0 126 1,-0.3 -1,-0.2 70,-0.0 -2,-0.0 -0.250 128.7 21.7 -46.3 126.7 30.9 14.5 39.6 26 26 A G T 3 S- 0 0 83 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.249 100.0-137.3 93.3 -11.3 27.8 15.3 37.4 27 27 A G < + 0 0 30 -3,-2.5 2,-0.3 1,-0.1 -4,-0.1 -0.203 55.5 116.0 58.6-146.1 25.3 14.3 40.0 28 28 A G S S- 0 0 49 -6,-0.1 -6,-1.9 -5,-0.0 2,-0.3 -0.689 70.4 -40.6 85.0-136.5 22.3 12.3 39.0 29 29 A K E -B 21 0A 73 -2,-0.3 -20,-0.3 -8,-0.3 2,-0.3 -0.891 39.6-160.6-130.4 155.0 21.8 8.7 40.5 30 30 A N E -B 20 0A 0 -10,-2.9 -10,-2.0 -2,-0.3 2,-0.4 -0.892 29.9-108.8-124.4 163.6 23.8 5.6 41.3 31 31 A V E +BC 19 122A 1 91,-2.9 91,-2.0 -2,-0.3 -12,-0.2 -0.800 46.7 169.3 -87.1 134.1 22.7 2.0 41.8 32 32 A G E +B 18 0A 0 -14,-2.9 -14,-1.8 -2,-0.4 89,-0.1 -0.714 42.5 60.3-133.0-174.0 22.9 0.9 45.4 33 33 A Y + 0 0 145 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.910 68.1 172.0 53.3 49.1 21.9 -2.0 47.8 34 34 A I + 0 0 10 86,-0.6 85,-1.3 -3,-0.1 86,-0.3 -0.750 2.6 162.4 -92.2 129.6 23.9 -4.4 45.7 35 35 A D > - 0 0 93 -2,-0.4 3,-2.2 83,-0.2 80,-0.2 -0.907 48.9 -61.9-138.6 166.0 24.4 -8.0 47.0 36 36 A A T 3 S+ 0 0 68 -2,-0.3 80,-0.2 1,-0.3 3,-0.1 -0.255 123.0 23.3 -51.2 128.7 25.3 -11.4 45.7 37 37 A G T 3 S+ 0 0 36 78,-2.5 -1,-0.3 1,-0.4 79,-0.1 0.037 92.4 124.5 100.3 -23.5 22.8 -12.5 43.1 38 38 A D < - 0 0 20 -3,-2.2 77,-3.0 77,-0.1 -1,-0.4 -0.279 38.5-176.2 -68.7 154.4 21.7 -9.0 42.2 39 39 A W E -FG 15 114B 85 -24,-1.6 -24,-2.4 75,-0.2 2,-0.4 -0.980 24.5-147.3-154.3 162.4 21.9 -7.9 38.6 40 40 A L E -FG 14 113B 6 73,-2.5 73,-2.6 -2,-0.3 2,-0.4 -1.000 14.7-156.7-133.3 128.9 21.4 -5.2 36.1 41 41 A S E -FG 13 112B 14 -28,-2.9 -29,-2.0 -2,-0.4 -28,-1.3 -0.937 16.3-179.4-111.2 134.2 20.3 -5.6 32.4 42 42 A Y > + 0 0 4 69,-2.8 3,-1.6 -2,-0.4 69,-0.4 -0.060 45.2 124.0-112.9 29.2 21.0 -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 0.789 65.8 64.2 -61.6 -27.9 19.2 -5.2 27.0 44 44 A G T 3 S+ 0 0 24 1,-0.3 106,-0.5 -3,-0.2 -1,-0.3 0.679 105.5 46.3 -70.2 -18.7 16.9 -2.2 26.1 45 45 A T S < S- 0 0 7 -3,-1.6 66,-0.3 104,-0.1 -1,-0.3 -0.701 81.9-162.7-123.6 78.5 19.9 -0.2 24.9 46 46 A P - 0 0 25 0, 0.0 101,-2.8 0, 0.0 2,-0.4 -0.297 9.4-143.3 -61.1 146.9 22.0 -2.5 22.7 47 47 A V E -J 109 0C 0 62,-2.5 62,-2.8 99,-0.3 2,-0.5 -0.933 8.6-131.7-116.1 136.1 25.6 -1.3 22.1 48 48 A N E -J 108 0C 22 -2,-0.4 60,-0.2 60,-0.2 58,-0.1 -0.770 11.3-159.3 -93.4 124.7 27.4 -1.7 18.8 49 49 A I E -J 107 0C 1 58,-2.5 58,-2.5 -2,-0.5 3,-0.1 -0.917 7.0-155.5-101.4 117.8 30.9 -3.1 18.8 50 50 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.753 70.4 5.9 -70.7 -25.3 32.6 -2.1 15.5 51 51 A S S S- 0 0 66 54,-0.1 53,-0.1 56,-0.1 2,-0.1 -0.988 81.3 -97.2-157.5 147.8 35.2 -4.9 15.3 52 52 A S S S+ 0 0 81 -2,-0.3 2,-0.3 -3,-0.1 53,-0.2 -0.445 77.5 66.7 -67.8 138.4 36.1 -8.1 17.2 53 53 A G E S-D 104 0A 20 51,-2.2 51,-2.4 -2,-0.1 2,-0.3 -0.979 81.1 -9.2 150.5-159.9 38.8 -7.7 19.7 54 54 A S E +D 103 0A 54 -2,-0.3 76,-0.7 49,-0.2 2,-0.3 -0.554 50.3 179.4 -81.3 129.5 40.0 -6.1 22.9 55 55 A Y E -DE 102 129A 4 47,-2.6 47,-2.1 -2,-0.3 2,-0.6 -0.961 24.4-131.9-126.2 144.8 37.8 -3.5 24.7 56 56 A L E -DE 101 128A 33 72,-2.4 72,-2.5 -2,-0.3 2,-0.5 -0.888 19.8-160.4 -95.7 121.8 38.4 -1.7 27.9 57 57 A I E -DE 100 127A 0 43,-2.8 43,-1.9 -2,-0.6 2,-0.4 -0.923 7.2-165.4-105.9 126.1 35.4 -1.7 30.3 58 58 A E E -DE 99 126A 34 68,-3.0 68,-2.4 -2,-0.5 2,-0.4 -0.877 4.0-164.1-111.6 143.4 35.4 1.0 33.0 59 59 A Y E -DE 98 125A 0 39,-2.4 39,-2.4 -2,-0.4 2,-0.8 -0.997 15.0-144.1-129.9 129.7 33.2 1.1 36.1 60 60 A R E +DE 97 124A 48 64,-2.5 63,-2.8 -2,-0.4 64,-0.6 -0.848 41.1 168.8 -94.6 110.4 32.6 4.1 38.3 61 61 A V E -DE 96 122A 0 35,-2.7 35,-2.2 -2,-0.8 2,-0.3 -0.831 30.6-166.2-130.8 155.8 32.3 2.6 41.8 62 62 A A E +DE 95 121A 0 59,-1.5 59,-2.7 -2,-0.3 2,-0.3 -0.990 13.4 174.3-139.8 143.3 32.2 3.5 45.5 63 63 A S - 0 0 0 28,-0.6 26,-2.9 31,-0.5 27,-1.2 -0.924 23.7-160.0-155.6 126.0 32.6 1.0 48.4 64 64 A Q S S+ 0 0 82 55,-0.4 26,-0.3 -2,-0.3 -1,-0.1 0.943 96.2 9.8 -67.5 -49.1 32.9 1.5 52.2 65 65 A N S S- 0 0 136 54,-0.4 23,-0.3 1,-0.3 -1,-0.1 0.451 93.4-137.7-117.5 -4.7 34.5 -1.8 53.1 66 66 A G + 0 0 13 53,-0.5 -1,-0.3 21,-0.3 -2,-0.1 -0.300 59.2 119.4 73.4-166.7 35.6 -3.4 49.8 67 67 A G + 0 0 69 19,-0.4 -1,-0.1 1,-0.3 52,-0.1 0.292 48.4 128.2 93.8 -7.5 35.1 -7.1 49.1 68 68 A G E +H 86 0B 4 18,-0.8 18,-2.5 51,-0.2 2,-0.3 -0.293 30.4 177.3 -80.0 161.6 32.8 -6.8 46.1 69 69 A S E -HI 85 117B 35 48,-1.7 47,-2.0 16,-0.3 48,-1.6 -0.972 6.7-163.6-157.5 153.5 33.0 -8.3 42.6 70 70 A L E -HI 84 115B 0 14,-2.0 14,-1.9 -2,-0.3 2,-0.4 -0.943 14.8-137.0-135.8 162.0 31.0 -8.3 39.4 71 71 A T E -HI 83 114B 13 43,-2.6 43,-2.4 -2,-0.3 2,-0.5 -0.982 13.9-151.5-117.2 127.7 30.7 -10.2 36.2 72 72 A F E +HI 82 113B 4 10,-3.0 9,-2.4 -2,-0.4 10,-1.9 -0.891 39.9 134.9 -99.9 128.8 30.2 -8.4 32.9 73 73 A E E -HI 80 112B 25 39,-2.4 39,-2.5 -2,-0.5 2,-0.3 -0.803 58.2 -66.8-155.4-178.4 28.3 -10.5 30.4 74 74 A E E > - I 0 111B 29 5,-1.5 3,-2.4 37,-0.3 37,-0.3 -0.725 68.8 -86.7 -82.5 147.3 25.5 -10.5 27.9 75 75 A A T 3 S+ 0 0 32 35,-2.8 3,-0.3 -2,-0.3 37,-0.1 -0.286 119.6 37.7 -52.2 131.7 22.0 -10.0 29.4 76 76 A G T 3 S- 0 0 90 1,-0.2 -1,-0.3 -3,-0.0 35,-0.1 0.095 127.4 -80.9 104.0 -22.3 20.7 -13.4 30.4 77 77 A G S < S+ 0 0 26 -3,-2.4 -1,-0.2 2,-0.2 -2,-0.1 0.174 86.7 118.0 120.6 -18.3 24.0 -14.6 31.7 78 78 A A + 0 0 76 -3,-0.3 2,-0.1 1,-0.2 -5,-0.1 -0.998 57.8 27.3-152.0 144.1 26.0 -15.9 28.7 79 79 A P S S- 0 0 84 0, 0.0 -5,-1.5 0, 0.0 2,-0.4 0.529 77.8-148.0 -71.8 152.8 28.5 -15.4 27.2 80 80 A V E -H 73 0B 81 -7,-0.2 -7,-0.3 1,-0.1 3,-0.1 -0.708 13.4-171.9 -84.7 133.4 30.5 -14.0 30.1 81 81 A H E - 0 0 31 -9,-2.4 22,-0.4 -2,-0.4 2,-0.3 0.804 55.2 -43.1 -94.6 -39.4 33.0 -11.3 29.1 82 82 A G E -H 72 0B 14 -10,-1.9 -10,-3.0 20,-0.1 -1,-0.3 -0.987 42.1-123.1-179.8 170.1 34.9 -10.8 32.3 83 83 A T E -H 71 0B 95 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.915 19.7-170.7-129.0 156.9 35.1 -10.3 36.1 84 84 A I E -H 70 0B 23 -14,-1.9 -14,-2.0 -2,-0.3 2,-0.3 -0.992 20.5-128.7-151.8 139.2 36.5 -7.5 38.3 85 85 A A E -H 69 0B 78 -2,-0.3 -16,-0.3 -16,-0.2 -17,-0.0 -0.679 22.2-140.0 -83.1 142.0 37.2 -7.0 42.0 86 86 A I E -H 68 0B 3 -18,-2.5 -18,-0.8 -2,-0.3 -19,-0.4 -0.913 19.3-147.1-108.9 114.2 35.8 -3.8 43.5 87 87 A P - 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