==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-03 1PMH . COMPND 2 MOLECULE: BETA-1,4-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDICELLULOSIRUPTOR SACCHAROLYTICUS; . AUTHOR Y.ROSKE,A.SUNNA,U.HEINEMANN . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 71.0 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 . 79 43.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1.1 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 . 28 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 1 4 0 2 1 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 1 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 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 3 X S 0 0 182 0, 0.0 2,-0.4 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 2.8 3.6 55.1 5.1 2 4 X V - 0 0 42 77,-0.2 77,-0.0 0, 0.0 0, 0.0 -0.964 360.0-124.4-118.7 146.9 5.4 52.9 7.6 3 5 X N - 0 0 137 -2,-0.4 175,-0.1 176,-0.1 0, 0.0 -0.687 32.6-117.1 -83.9 126.4 8.9 51.5 7.5 4 6 X P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 175,-0.2 -0.304 18.2-127.7 -60.3 145.8 9.1 47.7 7.9 5 7 X V E -A 178 0A 26 173,-2.3 173,-2.2 2,-0.0 2,-0.6 -0.892 29.7-164.5 -95.4 116.7 11.0 46.4 10.9 6 8 X V E -A 177 0A 61 -2,-0.6 2,-1.1 171,-0.2 171,-0.2 -0.892 16.9-177.0-116.5 105.5 13.4 43.9 9.3 7 9 X L E +A 176 0A 22 169,-3.2 169,-2.4 -2,-0.6 -2,-0.0 -0.753 29.7 142.0-102.4 85.3 15.1 41.4 11.7 8 10 X D - 0 0 43 -2,-1.1 36,-0.3 167,-0.2 -1,-0.2 0.375 58.5-130.0-108.9 -3.0 17.4 39.7 9.2 9 11 X F > + 0 0 0 -3,-0.1 3,-2.0 1,-0.1 4,-0.2 0.549 64.2 136.5 64.5 13.8 20.5 39.2 11.4 10 12 X E T 3 + 0 0 61 1,-0.3 -1,-0.1 2,-0.2 33,-0.1 0.653 59.3 67.0 -76.6 -11.0 22.6 40.8 8.6 11 13 X D T 3 S- 0 0 100 2,-0.2 -1,-0.3 33,-0.0 3,-0.1 0.372 116.9-112.0 -76.8 2.2 24.5 42.9 11.1 12 14 X G S < S+ 0 0 23 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.725 83.0 106.2 71.4 25.8 26.0 39.6 12.4 13 15 X T S S- 0 0 60 -4,-0.2 -1,-0.3 19,-0.1 -2,-0.2 -0.856 82.2-113.1-126.4 166.5 24.2 40.0 15.7 14 16 X V > - 0 0 45 -2,-0.3 3,-2.2 -3,-0.1 32,-0.0 0.427 45.2-131.7 -77.4 -1.5 21.2 38.3 17.4 15 17 X X T 3 - 0 0 39 1,-0.3 54,-0.2 -6,-0.1 3,-0.1 0.890 67.6 -53.5 52.5 44.1 19.3 41.6 17.2 16 18 X S T 3 S+ 0 0 69 1,-0.2 -1,-0.3 49,-0.1 50,-0.2 0.362 95.7 147.1 72.1 2.2 18.2 41.3 20.9 17 19 X F < + 0 0 8 -3,-2.2 2,-0.3 48,-0.1 -1,-0.2 -0.433 23.6 101.2 -68.6 136.9 16.8 37.9 20.6 18 20 X G E S-G 64 0B 19 46,-2.2 46,-3.0 -2,-0.2 14,-0.0 -0.894 74.2 -7.1 178.9-152.8 17.2 35.9 23.8 19 21 X E E -G 63 0B 104 -2,-0.3 44,-0.2 44,-0.2 3,-0.1 -0.320 49.3-147.6 -63.7 146.1 15.0 34.9 26.8 20 22 X A S S- 0 0 12 42,-1.0 2,-0.3 1,-0.3 -1,-0.1 0.713 82.7 -11.5 -82.0 -26.9 11.6 36.6 26.9 21 23 X W S > S- 0 0 104 41,-0.3 3,-2.3 43,-0.0 -1,-0.3 -0.921 108.6 -45.7-160.3 174.1 11.7 36.6 30.7 22 24 X G T 3 S- 0 0 56 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.259 124.7 -6.8 -57.3 127.0 13.9 34.9 33.3 23 25 X D T 3 S+ 0 0 112 1,-0.1 3,-0.3 3,-0.0 -1,-0.3 0.667 92.6 132.7 63.4 24.3 14.5 31.3 32.5 24 26 X S < + 0 0 1 -3,-2.3 38,-2.3 1,-0.2 3,-0.2 0.688 51.6 74.4 -76.4 -20.7 12.1 31.3 29.6 25 27 X L > + 0 0 35 -4,-0.2 3,-2.7 36,-0.2 2,-0.3 0.889 58.7 147.3 -65.9 -46.9 14.3 29.6 27.1 26 28 X K T 3 S+ 0 0 105 1,-0.3 35,-0.2 -3,-0.3 -1,-0.2 -0.214 74.9 25.4 59.6-106.3 13.9 26.1 28.6 27 29 X C T 3 S+ 0 0 3 33,-0.8 24,-1.9 -2,-0.3 2,-0.8 0.730 109.6 83.9 -63.0 -20.2 14.1 23.6 25.7 28 30 X I E < +B 50 0A 4 -3,-2.7 22,-0.3 22,-0.2 3,-0.1 -0.772 60.2 179.5 -83.5 111.1 16.1 26.3 23.8 29 31 X K E + 0 0 116 20,-2.9 2,-0.3 -2,-0.8 21,-0.2 0.647 61.6 11.8 -89.3 -22.1 19.6 25.6 25.1 30 32 X K E -B 49 0A 120 19,-1.0 19,-2.5 -5,-0.1 2,-0.4 -0.957 54.5-158.8-160.2 140.7 21.5 28.3 23.1 31 33 X V E +B 48 0A 29 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.994 32.2 148.8-121.0 125.3 20.7 31.3 21.0 32 34 X S E -B 47 0A 26 15,-2.1 15,-3.0 -2,-0.4 2,-0.4 -0.978 48.0-105.7-150.9 165.2 23.4 32.5 18.6 33 35 X V E -B 46 0A 48 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.822 45.1-168.6 -94.6 137.6 24.0 34.1 15.2 34 36 X S E -B 45 0A 11 11,-3.0 11,-2.3 -2,-0.4 3,-0.3 -0.959 37.1-158.1-132.8 150.0 25.1 31.6 12.6 35 37 X Q > + 0 0 83 -2,-0.3 3,-1.9 9,-0.2 9,-0.1 0.167 66.9 110.4-100.9 12.9 26.5 31.5 9.1 36 38 X D T 3 S+ 0 0 62 1,-0.3 -1,-0.2 9,-0.1 8,-0.1 0.803 83.9 39.6 -59.9 -31.1 25.3 27.9 8.5 37 39 X L T 3 S+ 0 0 2 -3,-0.3 -1,-0.3 6,-0.1 7,-0.1 0.084 83.4 153.2 -99.8 14.0 22.7 29.1 6.0 38 40 X Q < + 0 0 85 -3,-1.9 5,-0.2 5,-0.2 93,-0.1 -0.309 14.1 143.8 -58.9 133.1 25.0 31.6 4.3 39 41 X R B > -K 42 0C 70 3,-2.2 3,-2.5 91,-0.1 -2,-0.1 -0.860 56.4 -37.6-158.2 177.7 23.9 32.2 0.7 40 42 X P T 3 S- 0 0 134 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.222 127.5 -8.1 -56.9 124.6 23.7 35.0 -1.8 41 43 X G T 3 S+ 0 0 83 1,-0.1 2,-0.2 -3,-0.0 -3,-0.0 0.576 124.6 80.8 71.1 12.4 22.6 38.2 -0.1 42 44 X N B < +K 39 0C 18 -3,-2.5 -3,-2.2 1,-0.1 -1,-0.1 -0.724 43.3 158.0-154.4 88.8 21.9 36.4 3.2 43 45 X K + 0 0 97 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 0.809 58.2 43.5 -87.0 -31.1 24.9 35.7 5.4 44 46 X Y + 0 0 49 -36,-0.3 2,-0.3 -7,-0.1 -9,-0.2 -0.883 50.6 174.2-126.8 151.6 23.4 35.2 8.9 45 47 X A E -B 34 0A 1 -11,-2.3 -11,-3.0 -2,-0.3 2,-0.6 -0.951 39.3 -99.9-144.9 161.8 20.5 33.5 10.6 46 48 X L E -BC 33 173A 0 127,-2.7 127,-2.3 -2,-0.3 2,-0.5 -0.769 36.0-155.3 -85.6 120.7 19.4 33.0 14.2 47 49 X R E -BC 32 172A 70 -15,-3.0 -15,-2.1 -2,-0.6 2,-0.6 -0.858 8.9-170.1-101.3 125.6 20.4 29.6 15.4 48 50 X L E -BC 31 171A 0 123,-2.9 123,-2.1 -2,-0.5 2,-0.7 -0.952 11.6-152.8-112.6 111.3 18.3 28.0 18.3 49 51 X D E -BC 30 170A 34 -19,-2.5 -20,-2.9 -2,-0.6 -19,-1.0 -0.825 27.6-176.5 -84.7 113.6 19.9 24.8 19.7 50 52 X V E -BC 28 169A 2 119,-2.7 119,-1.7 -2,-0.7 2,-0.4 -0.816 23.4-164.8-113.9 156.3 16.9 22.9 21.1 51 53 X E E - C 0 168A 87 -24,-1.9 2,-0.4 -2,-0.3 117,-0.2 -0.967 10.3-167.8-137.4 122.0 16.3 19.7 22.9 52 54 X F - 0 0 4 115,-2.3 111,-0.0 -2,-0.4 8,-0.0 -0.879 15.5-137.8-109.2 147.6 12.9 18.1 23.2 53 55 X N > - 0 0 79 -2,-0.4 3,-2.0 1,-0.1 112,-0.4 -0.889 8.5-145.2-104.5 123.3 12.0 15.2 25.5 54 56 X P T 3 S+ 0 0 56 0, 0.0 112,-0.1 0, 0.0 -1,-0.1 0.690 96.3 62.1 -67.4 -15.6 9.8 12.6 23.9 55 57 X N T 3 S+ 0 0 145 110,-0.1 2,-0.5 1,-0.0 111,-0.1 0.491 90.9 81.0 -84.9 1.5 7.8 12.0 27.1 56 58 X N < - 0 0 64 -3,-2.0 108,-2.3 109,-0.2 109,-0.5 -0.938 58.7-165.3-114.1 119.7 6.5 15.6 27.2 57 59 X G S S+ 0 0 36 -2,-0.5 -1,-0.1 106,-0.3 104,-0.0 0.472 91.8 28.7 -78.9 -6.9 3.6 16.5 25.0 58 60 X W + 0 0 80 105,-0.1 2,-1.3 2,-0.1 -1,-0.3 -0.507 68.0 172.6-151.8 79.0 4.3 20.2 25.4 59 61 X D E - H 0 162B 27 103,-2.6 103,-2.2 -3,-0.5 2,-0.2 -0.683 28.3-165.7 -96.0 86.0 8.0 20.9 26.0 60 62 X Q E + H 0 161B 72 -2,-1.3 -33,-0.8 101,-0.3 2,-0.3 -0.440 24.8 168.9 -91.2 147.6 7.9 24.6 25.8 61 63 X G E - H 0 160B 0 99,-2.3 99,-2.5 -35,-0.2 2,-0.4 -0.975 19.3-146.5-147.5 150.7 10.5 27.4 25.4 62 64 X D E - H 0 159B 5 -38,-2.3 -42,-1.0 -2,-0.3 2,-0.4 -0.981 8.5-169.1-131.0 123.0 10.0 31.1 24.7 63 65 X L E -GH 19 158B 0 95,-2.7 95,-2.7 -2,-0.4 2,-0.3 -0.936 15.2-174.3-109.8 128.6 12.3 33.3 22.7 64 66 X G E -GH 18 157B 2 -46,-3.0 -46,-2.2 -2,-0.4 2,-0.3 -0.883 16.1-171.6-125.5 158.1 11.8 37.1 22.8 65 67 X T E - H 0 156B 2 91,-2.2 91,-2.4 -2,-0.3 2,-0.6 -0.991 18.8-138.6-139.4 145.4 13.1 40.3 21.2 66 68 X W E > - H 0 155B 30 -2,-0.3 3,-2.5 -50,-0.2 89,-0.2 -0.875 33.5-112.1 -96.6 126.7 12.4 43.9 22.1 67 69 X I G > S+ 0 0 24 87,-2.7 3,-1.5 -2,-0.6 6,-0.1 -0.349 104.0 4.9 -55.6 128.0 11.9 46.0 19.1 68 70 X G G 3 S- 0 0 75 1,-0.3 -1,-0.3 -53,-0.1 3,-0.1 0.549 119.6 -85.8 70.7 9.6 14.9 48.4 18.9 69 71 X G G < S+ 0 0 32 -3,-2.5 2,-0.9 1,-0.2 -1,-0.3 0.505 87.8 143.6 67.5 8.5 16.4 46.6 21.9 70 72 X V X - 0 0 87 -3,-1.5 3,-2.0 84,-0.1 -1,-0.2 -0.709 47.0-139.4 -88.9 105.6 14.4 48.8 24.3 71 73 X V T 3 S+ 0 0 107 -2,-0.9 3,-0.1 1,-0.3 84,-0.0 -0.445 86.8 4.7 -61.8 131.7 13.3 46.7 27.2 72 74 X E T 3 S+ 0 0 117 1,-0.2 -1,-0.3 -2,-0.1 83,-0.1 0.503 99.4 147.7 66.5 12.0 9.7 47.5 28.2 73 75 X G < - 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