==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING MODULE 10-OCT-01 1GNY . COMPND 2 MOLECULE: XYLANASE 10C; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS CELLULOSA; . AUTHOR S.SZABO,S.JAMAL,H.XIE,S.J.CHARNOCK,D.N.BOLAM,H.J.GILBERT, . 153 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 66.7 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 41.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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-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 . 22 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 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 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 1 2 3 0 2 0 2 0 0 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 0 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 91 A G 0 0 102 0, 0.0 152,-2.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-166.7 28.5 29.5 26.1 2 92 A N E -A 152 0A 85 150,-0.2 150,-0.2 1,-0.1 2,-0.2 -0.356 360.0 -83.1 -80.1 161.5 28.0 27.5 22.9 3 93 A V E - 0 0 36 148,-2.5 146,-2.3 146,-0.1 2,-0.5 -0.478 44.5-161.6 -65.5 127.6 24.8 25.7 21.8 4 94 A V E -A 148 0A 78 144,-0.2 2,-0.5 -2,-0.2 144,-0.2 -0.978 4.5-161.8-117.4 123.4 24.4 22.2 23.4 5 95 A I E -A 147 0A 54 142,-2.9 142,-2.8 -2,-0.5 2,-0.6 -0.926 3.0-160.0-104.1 122.4 22.1 19.6 21.9 6 96 A E E -A 146 0A 163 -2,-0.5 2,-0.2 140,-0.2 140,-0.2 -0.922 21.6-133.8-101.7 116.3 21.1 16.7 24.3 7 97 A V - 0 0 20 138,-2.4 138,-0.4 -2,-0.6 2,-0.2 -0.495 17.3-112.0 -78.4 134.9 20.0 13.8 22.2 8 98 A D - 0 0 90 -2,-0.2 -1,-0.1 1,-0.1 136,-0.0 -0.482 27.0-170.9 -63.8 124.7 16.8 11.9 23.1 9 99 A M S S+ 0 0 29 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.309 79.8 54.7-100.8 1.9 17.7 8.4 24.3 10 100 A A S S+ 0 0 60 1,-0.2 2,-0.3 18,-0.1 -1,-0.1 0.457 113.3 25.7-112.0 -8.0 14.1 7.0 24.3 11 101 A N S S+ 0 0 102 -3,-0.0 -1,-0.2 1,-0.0 -3,-0.0 -0.974 100.1 38.9-149.3 158.3 13.0 7.8 20.7 12 102 A G S S+ 0 0 51 -2,-0.3 35,-0.4 1,-0.3 2,-0.2 0.398 75.5 124.5 84.5 0.2 14.4 8.3 17.3 13 103 A W + 0 0 14 33,-0.1 2,-0.3 31,-0.0 -1,-0.3 -0.619 32.1 180.0 -93.9 156.9 17.1 5.7 17.3 14 104 A R E -F 45 0B 81 31,-2.4 31,-2.5 -2,-0.2 2,-0.1 -0.971 32.3-104.3-144.1 154.8 17.6 2.9 14.7 15 105 A G E -F 44 0B 7 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.397 41.4-159.3 -69.5 159.3 20.0 0.0 14.0 16 106 A N E -F 43 0B 24 27,-1.9 27,-2.7 9,-0.2 2,-0.4 -0.998 19.1-166.2-146.5 143.9 22.5 0.6 11.2 17 107 A A E +F 42 0B 40 -2,-0.3 25,-0.2 25,-0.2 24,-0.1 -0.983 15.7 163.5-130.5 119.7 24.7 -1.4 8.8 18 108 A S + 0 0 61 23,-2.0 23,-0.1 -2,-0.4 2,-0.1 0.405 69.2 37.6-108.9 -3.7 27.4 0.3 6.8 19 109 A G S S- 0 0 42 2,-0.4 22,-0.1 21,-0.3 -2,-0.0 -0.251 110.0 -59.7-123.9-148.1 29.4 -2.8 5.9 20 110 A S S S+ 0 0 120 -2,-0.1 2,-0.4 20,-0.1 21,-0.1 0.219 103.5 80.8 -96.1 10.1 28.7 -6.5 4.9 21 111 A T S S- 0 0 46 19,-0.6 -2,-0.4 18,-0.1 18,-0.1 -0.981 75.2-128.7-120.4 129.7 26.9 -7.6 8.0 22 112 A S - 0 0 100 -2,-0.4 2,-0.2 16,-0.1 20,-0.1 -0.370 23.7-127.1 -72.9 150.1 23.2 -6.9 8.6 23 113 A H - 0 0 83 -2,-0.1 -6,-0.1 18,-0.1 3,-0.1 -0.555 3.7-142.3 -96.0 163.3 22.0 -5.4 11.9 24 114 A S - 0 0 79 1,-0.4 -1,-0.1 12,-0.4 2,-0.1 -0.064 47.4-114.9-111.3 31.1 19.3 -6.5 14.4 25 115 A G - 0 0 23 18,-0.1 -1,-0.4 11,-0.1 11,-0.3 -0.338 40.8 -72.2 73.0-157.3 17.9 -3.1 15.3 26 116 A I - 0 0 35 -13,-0.1 2,-0.4 -11,-0.1 9,-0.2 -0.887 29.4-139.5-131.6 164.8 18.2 -1.5 18.8 27 117 A T E -B 34 0A 99 7,-2.4 7,-2.3 -2,-0.3 2,-0.3 -0.996 14.3-144.4-130.1 127.6 16.6 -2.1 22.2 28 118 A Y E +B 33 0A 96 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.641 27.5 159.9 -86.6 143.3 15.6 0.7 24.5 29 119 A S E > -B 32 0A 64 3,-2.4 3,-1.7 -2,-0.3 -2,-0.0 -0.934 58.5 -89.1-146.5 175.7 15.9 0.4 28.3 30 120 A A T 3 S+ 0 0 112 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.806 126.8 57.4 -57.9 -29.1 16.1 2.8 31.3 31 121 A D T 3 S- 0 0 103 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.620 118.1-107.3 -78.2 -10.0 19.9 2.9 30.7 32 122 A G E < -B 29 0A 5 -3,-1.7 -3,-2.4 -23,-0.0 2,-0.4 -0.985 64.6 -10.0 130.4-127.9 19.5 4.2 27.1 33 123 A V E -BC 28 142A 0 109,-2.4 109,-3.5 -2,-0.4 2,-0.4 -0.977 54.6-174.7-121.8 129.7 20.1 2.4 23.7 34 124 A T E -BC 27 141A 31 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.3 -0.956 1.4-176.8-127.5 140.1 21.7 -1.1 23.3 35 125 A F E - C 0 140A 6 105,-2.2 105,-2.0 -2,-0.4 2,-0.6 -0.972 31.3-115.4-132.1 153.6 22.7 -3.0 20.1 36 126 A A E - C 0 139A 32 -11,-0.3 2,-2.0 -2,-0.3 -12,-0.4 -0.755 26.9-139.0 -82.1 117.7 24.1 -6.4 19.4 37 127 A A + 0 0 2 101,-2.5 3,-0.1 -2,-0.6 -1,-0.1 -0.532 37.8 163.3 -81.8 75.1 27.5 -5.9 17.7 38 128 A L - 0 0 92 -2,-2.0 2,-0.3 1,-0.1 -1,-0.2 0.754 55.4 -29.7 -71.1 -30.0 27.1 -8.6 15.1 39 129 A G S > S- 0 0 7 -3,-0.2 3,-2.0 -18,-0.1 93,-0.3 -0.981 87.0 -42.2-171.6 177.6 29.8 -7.6 12.7 40 130 A D T 3 S+ 0 0 50 94,-0.4 -19,-0.6 -2,-0.3 -21,-0.3 -0.344 123.2 18.3 -56.7 131.5 32.0 -4.9 11.1 41 131 A G T 3 S+ 0 0 0 91,-2.6 -23,-2.0 1,-0.3 2,-0.4 0.410 88.5 132.3 83.9 2.9 29.8 -1.8 10.3 42 132 A V E < +F 17 0B 1 -3,-2.0 90,-2.7 90,-0.3 -1,-0.3 -0.716 31.8 127.7 -87.0 133.1 26.9 -2.7 12.7 43 133 A G E -FG 16 131B 0 -27,-2.7 -27,-1.9 -2,-0.4 2,-0.3 -0.807 53.1 -92.5-157.2-161.4 25.9 0.2 14.8 44 134 A A E +FG 15 130B 0 86,-2.2 86,-2.0 -29,-0.2 2,-0.3 -0.994 37.7 178.8-138.0 136.6 23.2 2.6 16.2 45 135 A V E -FG 14 129B 0 -31,-2.5 -31,-2.4 -2,-0.3 2,-0.3 -0.903 15.2-175.4-138.6 162.6 22.1 5.9 14.7 46 136 A F E - G 0 128B 8 82,-2.3 82,-2.9 -2,-0.3 2,-0.4 -0.908 29.5-108.6-145.9 170.8 19.8 8.9 15.1 47 137 A D E - G 0 127B 47 -35,-0.4 2,-0.6 -2,-0.3 80,-0.2 -0.869 7.6-148.6-112.2 138.6 19.1 12.0 13.0 48 138 A I E - G 0 126B 23 78,-3.0 78,-2.2 -2,-0.4 2,-0.2 -0.914 37.6-120.2 -92.9 121.8 20.0 15.6 13.6 49 139 A A - 0 0 73 -2,-0.6 76,-0.1 76,-0.2 75,-0.1 -0.403 45.1 -70.8 -67.7 133.6 17.2 17.6 11.9 50 140 A R S S+ 0 0 136 -2,-0.2 2,-0.1 73,-0.1 75,-0.1 -0.179 98.5 56.9 -61.0 154.2 18.1 20.0 9.1 51 141 A P S S- 0 0 92 0, 0.0 2,-0.4 0, 0.0 71,-0.2 0.656 72.2-168.3 -82.6 168.1 19.5 22.5 8.7 52 142 A T E -K 121 0C 5 69,-2.8 69,-2.3 -2,-0.1 2,-0.2 -0.956 33.8-177.8-127.3 145.2 22.9 22.0 10.3 53 143 A T E +K 120 0C 65 -2,-0.4 97,-0.3 67,-0.2 67,-0.3 -0.727 38.7 141.9-127.5 72.1 25.9 24.0 11.3 54 144 A L > + 0 0 3 65,-2.3 3,-2.0 -2,-0.2 58,-0.2 0.475 21.0 120.0 -97.8 -4.2 27.9 21.0 12.5 55 145 A E T 3 S+ 0 0 6 1,-0.3 95,-0.5 62,-0.1 58,-0.2 -0.427 88.9 10.2 -65.8 134.9 31.5 21.9 11.3 56 146 A D T 3 S+ 0 0 92 56,-2.5 -1,-0.3 1,-0.3 57,-0.1 0.516 97.4 143.2 69.3 12.6 33.8 22.1 14.4 57 147 A A < - 0 0 0 -3,-2.0 55,-2.7 55,-0.2 2,-0.5 -0.469 45.1-137.1 -77.9 150.9 31.1 20.5 16.5 58 148 A V E -DE 111 148A 54 90,-2.1 90,-2.5 53,-0.2 2,-0.5 -0.965 10.2-158.3-113.6 120.3 32.1 18.0 19.3 59 149 A I E -DE 110 147A 1 51,-3.1 51,-2.2 -2,-0.5 2,-0.5 -0.861 10.4-172.1 -94.3 125.6 30.0 14.8 19.8 60 150 A A E -DE 109 146A 23 86,-2.7 86,-2.7 -2,-0.5 2,-0.4 -0.987 1.1-172.8-121.7 123.4 30.4 13.3 23.2 61 151 A M E -DE 108 145A 0 47,-3.2 47,-2.7 -2,-0.5 2,-0.6 -0.957 16.8-150.1-115.3 130.8 28.9 9.8 23.9 62 152 A V E +DE 107 144A 38 82,-2.2 81,-2.8 -2,-0.4 82,-1.2 -0.903 35.6 173.2 -94.3 122.6 28.8 8.1 27.4 63 153 A V E -DE 106 142A 0 43,-3.0 43,-2.5 -2,-0.6 2,-0.4 -0.843 31.9-150.7-129.3 159.8 28.9 4.3 26.6 64 154 A N E - E 0 141A 48 77,-2.5 77,-2.8 -2,-0.3 2,-0.4 -0.993 16.9-157.2-129.7 127.3 29.2 1.0 28.3 65 155 A V E - E 0 140A 0 36,-0.6 75,-0.2 39,-0.4 39,-0.1 -0.849 16.8-122.8-106.8 136.5 30.9 -1.9 26.5 66 156 A S > - 0 0 24 73,-2.3 4,-2.4 -2,-0.4 5,-0.2 -0.329 22.7-113.2 -75.1 161.0 30.2 -5.6 27.3 67 157 A A H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 118.0 53.5 -58.9 -42.4 32.9 -8.1 28.3 68 158 A E H > S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.864 108.0 51.1 -62.3 -36.6 32.4 -10.1 25.0 69 159 A F H >>S+ 0 0 0 70,-0.2 5,-0.8 2,-0.2 4,-0.5 0.934 110.7 47.5 -65.5 -47.9 32.9 -6.9 23.0 70 160 A K H ><5S+ 0 0 70 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.935 111.6 51.9 -58.2 -42.9 36.1 -6.1 24.8 71 161 A A H 3<5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 100.5 62.8 -62.5 -29.1 37.3 -9.7 24.3 72 162 A S H 3<5S- 0 0 31 -4,-1.5 63,-0.3 -3,-0.2 -1,-0.2 0.608 99.8-135.5 -72.1 -17.5 36.6 -9.5 20.5 73 163 A E T <<5 + 0 0 153 -3,-1.3 24,-0.3 -4,-0.5 25,-0.1 0.611 50.2 151.5 68.5 17.6 39.2 -6.8 20.1 74 164 A A < - 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