==== 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 1PMJ . COMPND 2 MOLECULE: BETA-1,4-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CALDICELLULOSIRUPTOR SACCHAROLYTICUS; . AUTHOR Y.ROSKE,A.SUNNA,U.HEINEMANN . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 69.7 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 . 79 42.7 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 . 26 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 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 1 X E 0 0 226 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.5 26.8 26.2 5.1 2 2 X S + 0 0 121 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.947 360.0 155.4-116.9 104.8 27.2 24.1 8.3 3 3 X S - 0 0 51 -2,-0.5 0, 0.0 2,-0.1 0, 0.0 -0.637 54.9-139.3-121.2 169.9 24.9 25.6 10.9 4 4 X V + 0 0 72 -2,-0.2 3,-0.1 77,-0.1 -2,-0.0 -0.220 51.3 155.2-116.8 43.6 23.0 25.0 14.0 5 5 X N - 0 0 93 1,-0.1 -2,-0.1 176,-0.1 175,-0.1 -0.410 54.6 -95.6 -67.2 142.8 20.1 27.1 12.7 6 6 X P - 0 0 69 0, 0.0 2,-0.7 0, 0.0 175,-0.2 -0.283 32.7-140.6 -51.0 137.1 16.7 26.3 14.2 7 7 X V E -A 180 0A 33 173,-2.4 173,-2.7 -3,-0.1 2,-0.7 -0.948 22.2-169.1-105.2 110.8 14.8 23.9 11.8 8 8 X V E -A 179 0A 53 -2,-0.7 2,-1.2 171,-0.2 171,-0.2 -0.887 16.3-172.9-115.2 105.6 11.2 25.2 11.9 9 9 X L E +A 178 0A 21 169,-3.4 169,-2.3 -2,-0.7 -2,-0.0 -0.753 32.2 142.1 -97.3 85.3 8.5 23.0 10.4 10 10 X D - 0 0 43 -2,-1.2 36,-0.3 167,-0.2 -1,-0.2 0.273 60.5-126.9-108.9 0.3 5.6 25.4 10.7 11 11 X F > + 0 0 0 1,-0.1 3,-2.0 -3,-0.1 4,-0.1 0.568 66.2 136.2 65.1 12.8 3.9 24.6 7.3 12 12 X E T 3 + 0 0 61 1,-0.3 -1,-0.1 2,-0.2 33,-0.1 0.637 60.2 65.5 -76.8 -8.9 4.0 28.3 6.5 13 13 X D T 3 S- 0 0 103 2,-0.2 -1,-0.3 33,-0.0 3,-0.1 0.391 117.4-112.2 -81.3 2.4 5.1 27.6 2.9 14 14 X G S < S+ 0 0 22 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.690 82.2 108.0 71.7 22.3 1.7 26.0 2.4 15 15 X T S S- 0 0 60 -4,-0.1 -1,-0.3 19,-0.1 -2,-0.2 -0.810 81.8-113.0-116.0 169.7 3.1 22.5 2.0 16 16 X V > - 0 0 47 -2,-0.3 3,-2.0 19,-0.1 32,-0.0 0.448 45.2-133.2 -77.4 0.0 3.2 19.4 4.2 17 17 X M T 3 - 0 0 36 1,-0.3 51,-0.2 -6,-0.1 54,-0.1 0.881 67.4 -51.4 48.4 47.8 6.9 19.8 4.6 18 18 X S T 3 S+ 0 0 62 1,-0.2 2,-0.3 49,-0.1 -1,-0.3 0.509 96.8 146.9 69.8 13.1 7.7 16.1 3.8 19 19 X F < + 0 0 9 -3,-2.0 2,-0.3 48,-0.2 -1,-0.2 -0.592 20.8 103.7 -79.0 135.2 5.2 14.7 6.4 20 20 X G E S-G 66 0B 20 46,-2.2 46,-2.9 -2,-0.3 14,-0.0 -0.891 72.0 -10.6-177.7-156.9 3.5 11.5 5.4 21 21 X E E -G 65 0B 103 -2,-0.3 44,-0.2 44,-0.2 3,-0.1 -0.342 49.1-143.7 -60.7 140.8 3.7 7.8 6.3 22 22 X A S S- 0 0 7 42,-1.7 2,-0.3 1,-0.2 -1,-0.1 0.744 84.0 -12.8 -72.0 -30.2 6.7 6.8 8.4 23 23 X W S > S- 0 0 109 41,-0.4 3,-2.4 43,-0.0 4,-0.3 -0.949 106.5 -47.3-158.0 171.9 6.9 3.5 6.4 24 24 X G T 3 S- 0 0 58 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.226 124.3 -6.6 -51.8 125.0 4.7 1.6 4.0 25 25 X D T 3 S+ 0 0 121 1,-0.1 3,-0.3 3,-0.0 -1,-0.3 0.625 95.0 128.4 64.1 19.7 1.1 1.4 5.3 26 26 X S < + 0 0 0 -3,-2.4 38,-2.1 1,-0.2 3,-0.2 0.671 49.4 77.7 -76.8 -18.2 2.1 3.0 8.7 27 27 X L > + 0 0 34 -4,-0.3 3,-2.7 36,-0.2 2,-0.3 0.903 57.6 145.9 -65.8 -43.4 -0.6 5.7 8.8 28 28 X K T 3 S+ 0 0 110 1,-0.3 35,-0.2 -3,-0.3 -1,-0.2 -0.203 73.8 27.1 56.4-103.5 -3.4 3.3 9.9 29 29 X C T 3 S+ 0 0 0 33,-0.9 24,-1.8 -2,-0.3 2,-0.9 0.726 109.8 82.6 -61.1 -25.7 -5.7 5.3 12.2 30 30 X I E < +B 52 0A 5 -3,-2.7 22,-0.2 22,-0.2 3,-0.1 -0.782 60.2 179.9 -81.8 109.8 -4.5 8.5 10.3 31 31 X K E + 0 0 111 20,-3.0 2,-0.3 -2,-0.9 21,-0.2 0.653 63.3 9.8 -89.6 -17.0 -6.8 8.4 7.2 32 32 X K E -B 51 0A 124 19,-0.9 19,-2.5 -5,-0.1 2,-0.4 -0.931 55.2-157.1-163.2 141.5 -5.4 11.5 5.5 33 33 X V E +B 50 0A 32 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.980 31.4 154.3-117.5 126.2 -2.5 14.0 5.9 34 34 X S E -B 49 0A 26 15,-2.0 15,-3.0 -2,-0.4 2,-0.4 -0.990 46.9-110.6-148.9 158.3 -3.0 17.5 4.4 35 35 X V E -B 48 0A 50 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.777 47.5-167.5 -90.5 133.3 -1.9 21.1 4.8 36 36 X S E -B 47 0A 12 11,-2.8 11,-2.1 -2,-0.4 3,-0.2 -0.942 39.3-160.4-135.0 143.1 -4.8 23.1 6.1 37 37 X Q > + 0 0 94 -2,-0.3 3,-2.0 9,-0.2 9,-0.1 0.156 64.9 112.5-100.3 14.1 -5.9 26.7 6.6 38 38 X D T 3 S+ 0 0 63 1,-0.3 -1,-0.1 9,-0.2 8,-0.1 0.822 85.6 37.7 -57.0 -32.1 -8.5 25.7 9.2 39 39 X L T 3 S+ 0 0 2 -3,-0.2 -1,-0.3 6,-0.1 7,-0.1 0.171 83.6 152.5-104.1 13.8 -6.5 27.5 12.0 40 40 X Q < + 0 0 82 -3,-2.0 5,-0.3 5,-0.3 6,-0.1 -0.222 16.7 141.4 -52.0 126.2 -5.5 30.4 9.7 41 41 X R B > -K 44 0C 66 3,-1.8 3,-2.5 91,-0.1 -2,-0.1 -0.928 59.4 -49.3-159.9 167.0 -5.0 33.4 12.0 42 42 X P T 3 S+ 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.276 126.5 4.7 -50.8 130.1 -2.6 36.4 12.3 43 43 X G T 3 S+ 0 0 86 -3,-0.0 2,-0.2 2,-0.0 -3,-0.0 0.386 126.2 66.2 80.1 -1.4 1.0 35.1 12.0 44 44 X N B < +K 41 0C 17 -3,-2.5 -3,-1.8 1,-0.1 -33,-0.0 -0.665 47.4 161.7-159.7 92.3 0.0 31.5 11.4 45 45 X K + 0 0 81 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 0.803 61.1 36.5 -86.3 -36.1 -1.7 30.5 8.1 46 46 X Y + 0 0 48 -36,-0.3 2,-0.3 -7,-0.1 -9,-0.2 -0.888 50.5 174.1-127.1 153.2 -1.2 26.8 7.8 47 47 X A E -B 36 0A 0 -11,-2.1 -11,-2.8 -2,-0.3 2,-0.7 -0.943 40.4 -99.4-145.8 165.0 -1.1 23.6 10.0 48 48 X L E -BC 35 175A 0 127,-2.7 127,-2.4 -2,-0.3 2,-0.5 -0.807 36.1-152.5 -90.9 117.4 -0.9 19.9 9.2 49 49 X R E -BC 34 174A 70 -15,-3.0 -15,-2.0 -2,-0.7 2,-0.6 -0.823 8.7-167.9 -95.9 125.4 -4.3 18.3 9.5 50 50 X L E -BC 33 173A 0 123,-2.7 123,-2.1 -2,-0.5 2,-0.8 -0.947 10.3-152.8-111.8 108.7 -4.4 14.6 10.4 51 51 X D E -BC 32 172A 36 -19,-2.5 -20,-3.0 -2,-0.6 -19,-0.9 -0.797 25.5-175.8 -83.3 113.3 -7.8 13.1 9.9 52 52 X V E -BC 30 171A 1 119,-2.5 119,-1.9 -2,-0.8 2,-0.4 -0.794 23.1-167.5-112.8 154.1 -8.0 10.3 12.4 53 53 X E E - C 0 170A 90 -24,-1.8 2,-0.3 -2,-0.3 117,-0.2 -0.934 14.1-166.2-139.2 110.5 -10.6 7.6 13.2 54 54 X F - 0 0 15 115,-2.4 111,-0.0 -2,-0.4 8,-0.0 -0.779 14.5-137.1 -97.7 150.2 -10.1 5.6 16.3 55 55 X N > - 0 0 75 -2,-0.3 3,-2.0 3,-0.1 112,-0.4 -0.906 8.5-145.2-105.2 122.7 -11.9 2.3 17.3 56 56 X P T 3 S+ 0 0 43 0, 0.0 112,-0.1 0, 0.0 -1,-0.1 0.634 98.0 57.8 -68.9 -12.5 -13.1 2.2 20.9 57 57 X N T 3 S+ 0 0 140 110,-0.1 2,-0.6 1,-0.0 111,-0.1 0.366 90.4 86.2 -86.8 1.2 -12.4 -1.6 21.2 58 58 X N X - 0 0 61 -3,-2.0 108,-2.2 109,-0.2 3,-0.5 -0.921 58.8-166.3-110.8 113.9 -8.7 -1.0 20.4 59 59 X G T 3 S+ 0 0 39 -2,-0.6 -1,-0.1 1,-0.3 104,-0.0 0.538 89.8 25.7 -73.7 -10.9 -6.5 -0.2 23.3 60 60 X W T 3 + 0 0 80 105,-0.1 2,-1.6 2,-0.1 -1,-0.3 -0.492 68.3 174.9-152.8 76.1 -3.7 1.0 21.1 61 61 X D E < - H 0 164B 23 103,-2.8 103,-1.9 -3,-0.5 2,-0.1 -0.628 28.6-171.6 -89.7 82.0 -5.0 2.1 17.7 62 62 X Q E + H 0 163B 62 -2,-1.6 -33,-0.9 101,-0.3 2,-0.3 -0.388 24.5 174.1 -87.8 152.7 -1.7 3.3 16.4 63 63 X G E - H 0 162B 0 99,-2.0 99,-2.6 -35,-0.2 2,-0.5 -0.967 19.5-142.7-149.6 146.7 -0.5 5.3 13.4 64 64 X D E - 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