==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-09 3II1 . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR K.Y.HWANG,K.H.NAM . 522 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 3 1 1 0 0 0 3 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 3 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 PARALLEL BRIDGES PER LADDER . 7 5 4 0 1 1 2 0 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 . 3 0 1 1 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 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 29 A S 0 0 162 0, 0.0 463,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.8 -7.8 42.3 54.3 2 30 A M - 0 0 129 461,-0.1 462,-2.3 1,-0.1 2,-0.3 -0.089 360.0-167.0 -41.0 136.4 -9.6 40.4 51.4 3 31 A Q B -a 464 0A 135 460,-0.3 462,-0.2 462,-0.1 460,-0.1 -0.989 20.3-152.9-148.5 133.2 -9.1 36.6 51.7 4 32 A N - 0 0 28 460,-3.5 3,-0.1 -2,-0.3 459,-0.0 -0.504 49.3 -71.9 -91.8 164.2 -9.5 33.2 49.8 5 33 A P - 0 0 93 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.272 61.0 -99.6 -52.3 139.4 -10.0 29.8 51.2 6 34 A S - 0 0 90 459,-0.1 2,-0.4 -3,-0.1 461,-0.2 -0.230 38.6-150.9 -50.4 146.4 -7.0 28.3 53.0 7 35 A V E -b 467 0B 10 459,-2.2 461,-3.1 -3,-0.1 2,-0.5 -0.984 8.8-160.3-128.2 139.7 -4.8 25.8 51.0 8 36 A T E -b 468 0B 76 -2,-0.4 2,-0.4 459,-0.2 461,-0.2 -0.974 9.6-168.8-116.4 133.9 -2.6 22.9 52.1 9 37 A I E -b 469 0B 0 459,-2.7 461,-3.1 -2,-0.5 2,-0.6 -0.936 8.7-150.6-123.1 136.0 0.1 21.5 49.9 10 38 A S E -bC 470 432B 53 422,-1.7 422,-2.7 -2,-0.4 2,-0.5 -0.942 10.5-174.5-114.7 120.5 2.0 18.3 50.4 11 39 A V E -bC 471 431B 1 459,-2.3 461,-2.2 -2,-0.6 2,-0.5 -0.967 1.5-173.0-104.3 126.4 5.5 18.0 49.2 12 40 A N E > -bC 472 430B 46 418,-2.4 3,-1.9 -2,-0.5 418,-0.7 -0.931 13.6-158.6-120.9 108.8 7.0 14.6 49.6 13 41 A A T 3 S+ 0 0 3 459,-1.7 460,-0.1 -2,-0.5 -1,-0.1 0.543 91.9 52.1 -64.9 -6.6 10.8 14.5 48.7 14 42 A N T 3 S+ 0 0 97 458,-0.1 3,-0.4 416,-0.1 2,-0.3 0.517 90.9 84.7-103.0 -12.4 10.5 10.7 48.2 15 43 A A S < S+ 0 0 32 -3,-1.9 415,-2.0 1,-0.2 -3,-0.1 -0.734 97.6 0.9 -97.0 147.8 7.5 10.3 45.8 16 44 A G S S- 0 0 48 -2,-0.3 -1,-0.2 413,-0.2 2,-0.2 0.753 79.8-178.9 53.8 40.8 7.6 10.6 42.0 17 45 A R + 0 0 126 -3,-0.4 -1,-0.2 412,-0.1 412,-0.2 -0.501 18.0 130.9 -73.3 136.3 11.4 11.1 41.8 18 46 A H E -F 428 0C 57 410,-0.9 410,-1.9 -2,-0.2 373,-0.1 -0.859 57.4 -84.3-173.2 156.0 12.9 11.6 38.3 19 47 A P E -F 427 0C 105 0, 0.0 2,-0.7 0, 0.0 408,-0.3 -0.296 28.9-138.3 -66.3 148.9 15.3 14.2 36.6 20 48 A I - 0 0 10 406,-3.3 368,-0.1 371,-0.0 373,-0.1 -0.956 21.3-137.1-100.5 111.4 14.1 17.5 35.2 21 49 A N > - 0 0 62 -2,-0.7 3,-2.4 371,-0.4 4,-0.2 -0.545 5.9-140.3 -63.2 121.2 15.9 18.0 31.9 22 50 A P G > S+ 0 0 57 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.637 94.5 82.1 -63.9 -10.1 17.0 21.7 31.8 23 51 A A G > S+ 0 0 8 370,-0.3 372,-2.1 1,-0.2 3,-1.5 0.648 72.0 76.5 -66.0 -12.7 16.1 21.6 28.1 24 52 A V G < S+ 0 0 0 -3,-2.4 -1,-0.2 370,-0.3 370,-0.1 0.758 85.9 64.4 -69.7 -17.5 12.4 22.2 29.2 25 53 A Y G < S+ 0 0 9 -3,-1.5 -1,-0.3 -4,-0.2 17,-0.2 0.267 80.6 140.3 -85.4 17.1 13.5 25.8 29.7 26 54 A G E < -l 396 0D 0 -3,-1.5 371,-1.8 369,-0.8 2,-0.3 0.019 31.0-165.7 -67.5 164.7 14.2 26.3 26.0 27 55 A L E -lm 397 43D 1 15,-1.8 17,-2.6 369,-0.3 2,-0.3 -0.979 15.1-133.9-144.0 155.4 13.4 29.4 24.0 28 56 A A E S+ m 0 44D 0 369,-1.6 372,-0.3 -2,-0.3 371,-0.3 -0.854 82.2 3.3-105.4 150.5 13.2 30.6 20.4 29 57 A Y S S+ 0 0 89 15,-1.3 371,-0.4 -2,-0.3 -1,-0.2 0.861 83.6 146.9 44.0 55.2 14.7 33.9 19.1 30 58 A A - 0 0 15 -3,-0.2 2,-0.3 369,-0.1 -1,-0.1 -0.381 43.1-118.6 -97.2 177.5 16.4 35.1 22.2 31 59 A T > - 0 0 80 -2,-0.1 4,-3.2 1,-0.1 5,-0.3 -0.790 28.2-105.0-113.5 164.3 19.7 37.1 22.3 32 60 A T H > S+ 0 0 41 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.933 122.6 54.0 -50.5 -48.4 23.0 36.2 23.9 33 61 A A H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 113.3 39.4 -56.1 -42.1 22.1 38.8 26.7 34 62 A T H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.833 112.0 56.2 -83.1 -31.2 18.7 37.2 27.5 35 63 A L H <>S+ 0 0 1 -4,-3.2 5,-2.3 2,-0.2 4,-0.5 0.935 113.9 41.4 -61.0 -41.3 19.9 33.7 27.1 36 64 A A H ><5S+ 0 0 35 -4,-2.4 3,-0.7 -5,-0.3 -2,-0.2 0.959 116.6 47.9 -69.5 -46.8 22.5 34.4 29.8 37 65 A D H 3<5S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.835 118.1 39.9 -65.3 -35.4 20.2 36.5 32.0 38 66 A L T 3<5S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.481 105.8-132.2 -85.1 -9.3 17.4 33.8 31.9 39 67 A N T < 5 + 0 0 41 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.953 43.8 169.0 56.4 53.6 20.0 31.1 32.2 40 68 A V < - 0 0 4 -5,-2.3 -1,-0.2 -6,-0.2 -17,-0.1 -0.887 26.2-166.1-106.3 130.0 18.4 29.2 29.4 41 69 A P + 0 0 34 0, 0.0 54,-2.4 0, 0.0 2,-0.4 0.250 68.0 59.4-102.9 11.6 20.4 26.3 27.9 42 70 A L E - n 0 95D 3 52,-0.2 -15,-1.8 -17,-0.2 2,-0.4 -0.997 55.8-176.5-146.0 130.7 18.4 25.6 24.6 43 71 A H E -mn 27 96D 4 52,-2.9 54,-0.9 -2,-0.4 2,-0.5 -0.992 13.4-151.6-135.8 119.0 17.9 28.1 21.8 44 72 A R E -mn 28 97D 0 -17,-2.6 -15,-1.3 -2,-0.4 2,-0.7 -0.852 13.0-165.3-103.4 132.1 15.7 27.2 18.8 45 73 A Y E + n 0 98D 4 52,-2.9 54,-1.0 -2,-0.5 2,-0.2 -0.952 50.9 110.7-105.9 107.6 16.0 28.5 15.2 46 74 A G + 0 0 0 -2,-0.7 2,-0.2 52,-0.1 3,-0.2 -0.892 19.9 100.2-160.5-178.3 12.6 27.4 13.7 47 75 A G S > S- 0 0 1 -2,-0.2 4,-0.6 144,-0.2 3,-0.4 -0.547 78.3 -42.8 112.9-177.1 9.2 28.6 12.3 48 76 A N T >4 S+ 0 0 31 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.871 128.7 45.3 -61.4 -50.0 7.6 29.2 8.9 49 77 A N G >4 S+ 0 0 27 1,-0.2 3,-2.2 -3,-0.2 12,-0.4 0.842 100.7 70.2 -66.1 -24.7 10.2 31.0 7.0 50 78 A T G >4 S+ 0 0 0 -3,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.728 88.1 65.8 -68.5 -18.2 13.0 28.5 8.1 51 79 A S G << S+ 0 0 0 -3,-1.1 52,-0.4 -4,-0.6 -1,-0.3 0.715 107.3 41.2 -68.7 -21.0 11.3 25.8 5.9 52 80 A R G < S+ 0 0 0 -3,-2.2 55,-2.1 -4,-0.3 2,-0.4 0.150 81.1 132.6-112.4 12.4 12.3 28.0 2.9 53 81 A Y < - 0 0 0 -3,-0.8 2,-0.8 7,-0.2 7,-0.3 -0.562 44.6-153.7 -77.3 125.7 15.8 29.0 3.9 54 82 A N B >>> -T 59 0E 4 5,-4.4 4,-1.7 -2,-0.4 5,-1.5 -0.868 6.0-165.6 -95.5 104.1 18.3 28.4 1.1 55 83 A W T 345S+ 0 0 21 -2,-0.8 24,-2.5 1,-0.3 25,-0.2 0.858 85.2 56.5 -68.6 -28.8 21.7 27.9 3.0 56 84 A Q T 345S+ 0 0 94 22,-0.2 -1,-0.3 1,-0.2 22,-0.2 0.808 117.3 31.8 -69.3 -30.0 23.7 28.5 -0.1 57 85 A L T <45S- 0 0 55 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.616 102.4-126.8 -94.8 -14.2 22.2 31.9 -0.9 58 86 A N T <5S+ 0 0 0 -4,-1.7 15,-2.8 1,-0.2 2,-0.3 0.977 72.3 114.3 57.1 62.4 21.7 32.8 2.7 59 87 A A E < -TU 54 72E 0 -5,-1.5 -5,-4.4 13,-0.2 2,-0.3 -0.991 44.5-166.6-156.3 158.3 18.0 33.6 1.8 60 88 A D E - U 0 71E 0 11,-1.8 11,-3.0 -2,-0.3 2,-0.4 -0.924 22.2-119.9-145.0 166.5 14.5 32.5 2.5 61 89 A N E - U 0 70E 0 -12,-0.4 -9,-0.3 -2,-0.3 9,-0.3 -0.951 17.2-145.6-108.0 135.6 10.8 32.8 1.3 62 90 A R > - 0 0 78 7,-2.3 3,-0.9 -2,-0.4 5,-0.1 0.632 26.7-161.3 -76.1 -13.7 8.3 34.2 3.8 63 91 A G G > > - 0 0 0 1,-0.2 5,-2.5 3,-0.2 3,-1.9 -0.273 64.2 -19.6 61.6-149.2 5.4 32.0 2.6 64 92 A A G 3 5S+ 0 0 52 136,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.710 129.5 73.1 -66.3 -21.4 1.8 33.3 3.6 65 93 A D G < 5S+ 0 0 98 -3,-0.9 -1,-0.3 135,-0.2 -2,-0.2 0.700 116.1 12.4 -61.3 -26.9 3.3 35.4 6.5 66 94 A W T X 5S- 0 0 101 -3,-1.9 3,-1.9 3,-0.0 -4,-0.3 -0.401 118.1 -72.9-160.3 68.7 4.7 38.0 3.9 67 95 A Y T 3 5S- 0 0 50 -3,-0.5 52,-0.4 1,-0.3 51,-0.4 0.695 78.0 -80.6 51.9 33.2 3.5 37.8 0.3 68 96 A F T 3 S- 0 0 96 1,-0.1 3,-2.7 -19,-0.1 4,-0.2 -0.604 72.9-106.4 -76.3 119.4 28.1 34.0 2.9 78 106 A A T 3 S+ 0 0 32 -2,-0.5 -22,-0.2 1,-0.3 -23,-0.1 -0.153 99.1 1.1 -42.0 123.0 26.7 30.5 2.7 79 107 A G T 3> S+ 0 0 0 -24,-2.5 4,-2.3 -25,-0.2 3,-0.3 0.504 83.7 137.4 74.5 10.2 25.1 29.5 6.0 80 108 A E H <> + 0 0 44 -3,-2.7 4,-3.0 -25,-0.2 5,-0.3 0.864 67.8 57.6 -62.6 -33.7 25.7 32.8 7.8 81 109 A R H > S+ 0 0 32 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 112.3 43.2 -54.1 -47.9 22.2 33.0 9.5 82 110 A G H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.952 115.0 48.1 -64.3 -49.1 22.9 29.6 11.0 83 111 A D H X S+ 0 0 27 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.905 112.8 48.7 -59.1 -40.9 26.5 30.4 12.0 84 112 A T H X S+ 0 0 64 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.927 111.0 50.7 -64.7 -43.4 25.5 33.6 13.6 85 113 A F H X S+ 0 0 22 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.926 112.2 47.1 -60.1 -48.9 22.7 31.9 15.4 86 114 A I H X S+ 0 0 4 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.956 111.8 49.3 -56.8 -48.2 25.1 29.3 16.8 87 115 A A H X S+ 0 0 43 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.905 112.0 49.2 -59.7 -45.9 27.8 31.8 17.9 88 116 A N H < S+ 0 0 76 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.832 114.2 45.4 -67.1 -32.2 25.2 33.9 19.7 89 117 A S H ><>S+ 0 0 1 -4,-1.8 5,-2.4 -3,-0.3 3,-2.1 0.941 114.0 46.8 -74.1 -51.0 23.8 30.8 21.5 90 118 A Q H ><5S+ 0 0 95 -4,-3.2 3,-2.2 1,-0.3 -2,-0.2 0.869 99.0 69.5 -66.5 -26.5 27.1 29.4 22.4 91 119 A A T 3<5S+ 0 0 70 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.705 108.2 40.0 -56.3 -15.2 28.3 32.9 23.6 92 120 A A T < 5S- 0 0 23 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.220 121.5-103.1-122.4 14.6 25.7 32.3 26.4 93 121 A G T < 5S+ 0 0 64 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.736 77.7 136.3 74.9 18.2 26.3 28.6 27.1 94 122 A A < - 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0 0 90 49,-2.0 2,-0.3 -48,-0.1 8,-0.3 -0.853 17.6-136.1-121.4 170.2 16.3 31.9 -5.0 109 137 A L - 0 0 24 -2,-0.3 6,-0.2 6,-0.1 3,-0.1 -0.792 9.2-122.6-123.0 158.8 17.1 35.5 -5.7 110 138 A G B >> -X 114 0G 20 4,-3.1 3,-1.0 -2,-0.3 4,-0.7 -0.258 63.6 -43.4 -86.0-173.5 17.1 37.7 -8.8 111 139 A A G >4 S+ 0 0 84 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 -0.245 132.5 13.8 -51.0 130.7 20.1 39.7 -10.2 112 140 A N G 34 S- 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.857 131.5 -68.0 68.4 36.6 22.0 41.4 -7.3 113 141 A R G <4 S+ 0 0 71 -3,-1.0 -41,-0.5 1,-0.2 2,-0.2 0.851 86.4 169.3 54.4 32.2 20.2 39.4 -4.5 114 142 A S B << -X 110 0G 54 -4,-0.7 -4,-3.1 -3,-0.5 -1,-0.2 -0.587 39.5 -96.7 -76.5 143.6 17.0 41.3 -5.5 115 143 A K - 0 0 84 -2,-0.2 2,-0.3 -6,-0.2 -44,-0.2 -0.224 35.7-159.4 -58.2 139.1 13.7 40.0 -4.0 116 144 A L E -V 70 0E 33 -46,-1.6 -46,-2.5 -8,-0.3 2,-0.4 -0.836 4.1-148.8-115.3 165.1 11.5 37.6 -6.0 117 145 A A E > -V 69 0E 9 -2,-0.3 3,-0.5 -48,-0.3 -48,-0.2 -0.991 12.1-147.3-135.9 135.9 7.7 37.0 -5.3 118 146 A S T 3 S+ 0 0 0 -50,-1.8 2,-0.4 -51,-0.4 35,-0.2 0.801 96.9 44.5 -76.7 -24.9 5.7 33.8 -6.0 119 147 A F T 3 S- 0 0 0 -52,-0.4 20,-2.2 20,-0.4 22,-0.4 -0.502 77.8-171.1-120.5 64.4 2.5 35.6 -6.9 120 148 A S B X> -Y 138 0H 19 -3,-0.5 4,-2.6 -2,-0.4 3,-0.6 -0.326 18.1-146.7 -51.9 124.3 3.6 38.4 -9.2 121 149 A I H 3> S+ 0 0 44 16,-2.7 4,-1.9 1,-0.2 -1,-0.1 0.911 99.7 53.5 -61.3 -41.8 0.6 40.7 -9.9 122 150 A A H 34 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.655 115.7 40.9 -62.9 -21.1 1.8 41.4 -13.5 123 151 A K H <4 S+ 0 0 114 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.834 129.2 22.8-101.1 -39.9 2.0 37.6 -14.1 124 152 A Y H < S- 0 0 49 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.390 107.9-124.1-107.0 -3.2 -1.1 36.2 -12.5 125 153 A G < - 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