==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-05 1Z3V . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR W.UBHAYASEKERA,I.G.MUNOZ,J.STAHLBERG,S.L.MOWBRAY . 431 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 . 38 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 2 1 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 6 3 3 3 1 3 1 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 . 5 1 1 0 0 0 0 1 1 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 X 0 0 1 0, 0.0 158,-2.2 0, 0.0 159,-0.9 0.000 360.0 360.0 360.0 148.3 24.7 -4.6 39.9 2 2 A Q E -a 72 0A 53 69,-3.0 71,-2.6 66,-0.2 2,-0.6 -0.358 360.0-103.4 -85.1 168.2 26.1 -8.0 40.7 3 3 A A E -a 73 0A 45 69,-0.2 71,-0.2 156,-0.2 2,-0.1 -0.873 37.4-145.9 -96.0 115.3 24.8 -11.4 39.4 4 4 A G - 0 0 4 69,-3.4 40,-0.1 -2,-0.6 69,-0.1 -0.399 14.7-165.8 -80.3 158.8 22.8 -13.3 42.0 5 5 A T + 0 0 128 39,-0.1 3,-0.1 -2,-0.1 -1,-0.1 0.261 63.4 95.4-126.9 6.6 22.8 -17.0 42.4 6 6 A N S S+ 0 0 46 1,-0.2 2,-0.4 40,-0.1 68,-0.1 0.774 93.8 32.0 -72.1 -25.7 19.8 -17.7 44.7 7 7 A T S S- 0 0 56 70,-0.0 68,-1.0 2,-0.0 -1,-0.2 -0.988 88.9-119.0-135.8 123.9 17.5 -18.4 41.8 8 8 A A - 0 0 72 -2,-0.4 2,-0.8 67,-0.1 68,-0.1 -0.294 23.2-136.1 -61.5 142.1 18.5 -19.9 38.5 9 9 A E + 0 0 17 66,-0.2 2,-0.6 68,-0.1 -1,-0.1 -0.876 27.7 174.7-103.6 105.6 17.8 -17.7 35.5 10 10 A N - 0 0 122 -2,-0.8 68,-0.2 66,-0.4 66,-0.0 -0.934 22.3-143.3-113.2 109.7 16.3 -19.7 32.7 11 11 A H - 0 0 11 -2,-0.6 22,-0.2 1,-0.1 -2,-0.0 -0.574 20.7-118.5 -73.8 124.3 15.3 -17.6 29.7 12 12 A P - 0 0 27 0, 0.0 20,-2.2 0, 0.0 2,-0.3 -0.335 31.7-114.7 -58.7 142.3 12.1 -18.7 28.0 13 13 A Q B +D 31 0B 86 18,-0.2 75,-0.5 73,-0.2 18,-0.3 -0.593 35.9 174.9 -78.2 137.3 12.6 -19.7 24.4 14 14 A L B -l 88 0C 0 16,-2.6 75,-0.2 -2,-0.3 16,-0.2 -0.746 20.6-148.3-142.6 94.6 11.0 -17.5 21.7 15 15 A Q - 0 0 82 73,-3.2 403,-0.5 -2,-0.3 2,-0.3 -0.273 16.8-175.3 -63.6 142.3 12.0 -18.5 18.2 16 16 A S E -M 28 0D 1 12,-1.7 12,-3.1 401,-0.1 2,-0.4 -0.820 17.1-128.3-127.1 172.0 12.2 -15.9 15.5 17 17 A Q E -Mn 27 419D 51 401,-1.8 403,-2.3 -2,-0.3 2,-0.5 -0.985 6.5-154.6-124.7 138.4 12.8 -16.1 11.8 18 18 A Q E -Mn 26 420D 95 8,-2.6 8,-1.9 -2,-0.4 2,-0.3 -0.937 23.3-163.1-109.2 131.9 15.4 -14.3 9.6 19 19 A a E -Mn 25 421D 2 401,-2.6 403,-1.8 -2,-0.5 2,-0.3 -0.863 15.5-173.2-123.4 145.6 14.3 -14.0 6.0 20 20 A T E > -M 24 0D 62 4,-2.0 4,-1.8 -2,-0.3 404,-0.0 -0.934 34.6-118.1-129.2 157.3 16.0 -13.2 2.6 21 21 A T T 4 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.946 112.9 33.8 -55.8 -49.3 14.5 -12.7 -0.8 22 22 A S T 4 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.846 127.4 34.7 -81.0 -32.3 16.3 -15.6 -2.4 23 23 A G T 4 S- 0 0 49 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.504 92.1-144.6-106.0 -7.3 16.5 -18.0 0.5 24 24 A G E < -M 20 0D 32 -4,-1.8 -4,-2.0 2,-0.0 2,-0.3 -0.387 46.7 -25.5 75.6-152.9 13.2 -17.5 2.3 25 25 A a E -M 19 0D 44 -6,-0.2 -6,-0.2 -2,-0.1 396,-0.1 -0.759 51.6-174.7-109.5 140.6 12.9 -17.7 6.1 26 26 A K E -M 18 0D 150 -8,-1.9 -8,-2.6 -2,-0.3 2,-0.1 -0.985 27.8-110.4-131.6 142.4 15.0 -19.7 8.6 27 27 A P E -M 17 0D 80 0, 0.0 2,-0.4 0, 0.0 -10,-0.3 -0.459 22.0-160.1 -74.5 145.5 14.5 -20.1 12.3 28 28 A L E -M 16 0D 50 -12,-3.1 2,-1.7 -2,-0.1 -12,-1.7 -0.961 23.1-128.2-117.2 140.8 16.8 -18.6 15.0 29 29 A S + 0 0 93 -2,-0.4 -14,-0.1 -14,-0.2 -12,-0.1 -0.350 48.4 163.0 -87.8 61.3 16.8 -20.0 18.5 30 30 A T - 0 0 2 -2,-1.7 -16,-2.6 -16,-0.2 2,-0.2 -0.265 18.7-162.4 -75.3 165.2 16.2 -16.7 20.3 31 31 A K E -DE 13 108B 37 77,-1.9 77,-3.5 -18,-0.3 2,-0.3 -0.773 13.3-121.7-134.6 174.2 15.0 -16.3 23.9 32 32 A V E - E 0 107B 0 -20,-2.2 2,-0.4 -2,-0.2 75,-0.2 -0.956 18.1-160.4-123.4 154.0 13.5 -13.5 26.1 33 33 A V E - E 0 106B 0 73,-1.6 73,-2.0 -2,-0.3 2,-0.2 -0.995 22.3-115.3-134.4 135.0 14.8 -12.0 29.3 34 34 A L E - E 0 105B 0 -2,-0.4 71,-0.2 71,-0.2 5,-0.1 -0.398 39.2-105.8 -66.5 134.6 13.0 -10.0 32.0 35 35 A D > - 0 0 0 69,-2.8 3,-1.8 -2,-0.2 4,-0.3 -0.308 26.3-118.5 -62.0 143.0 14.1 -6.4 32.5 36 36 A S G > S+ 0 0 3 129,-2.6 3,-1.3 1,-0.3 130,-0.1 0.736 105.7 69.5 -58.2 -28.2 16.2 -5.7 35.5 37 37 A N G 3 S+ 0 0 25 128,-0.3 -1,-0.3 1,-0.3 128,-0.1 0.759 98.2 51.5 -63.7 -24.7 13.7 -3.3 37.1 38 38 A W G < S+ 0 0 58 -3,-1.8 -1,-0.3 66,-0.2 -2,-0.2 0.574 94.2 98.7 -86.9 -10.7 11.3 -6.1 37.9 39 39 A R S < S- 0 0 8 -3,-1.3 2,-0.2 -4,-0.3 36,-0.1 -0.376 80.4-100.1 -84.8 157.8 13.8 -8.4 39.6 40 40 A W - 0 0 71 35,-0.3 34,-1.6 34,-0.1 2,-0.5 -0.480 35.8-162.3 -58.3 132.1 14.7 -9.2 43.2 41 41 A V E +B 73 0A 3 10,-0.4 9,-2.7 32,-0.2 10,-1.0 -0.991 22.2 156.5-125.7 122.9 17.8 -7.2 44.3 42 42 A H E -BC 72 49A 3 30,-2.2 30,-3.2 -2,-0.5 7,-0.2 -0.894 47.5 -64.9-141.6 167.1 19.5 -8.5 47.4 43 43 A S E > -B 71 0A 15 5,-2.7 3,-1.8 -2,-0.3 28,-0.3 -0.258 41.6-129.4 -54.3 136.8 22.8 -8.5 49.2 44 44 A T T 3 S+ 0 0 76 26,-2.3 -1,-0.2 1,-0.3 27,-0.1 0.748 107.6 52.1 -57.8 -25.8 25.6 -10.4 47.3 45 45 A S T 3 S- 0 0 108 25,-0.3 -1,-0.3 3,-0.1 2,-0.2 0.360 124.8 -29.0 -99.6 10.4 26.3 -12.4 50.5 46 46 A G S < S- 0 0 22 -3,-1.8 -40,-0.1 2,-0.1 -4,-0.1 -0.753 83.5 -53.4-177.4-136.8 22.8 -13.5 51.2 47 47 A Y S S+ 0 0 155 -2,-0.2 2,-0.2 -5,-0.1 -6,-0.1 0.454 74.7 124.0-117.9 -4.6 19.0 -12.9 51.0 48 48 A T - 0 0 89 1,-0.1 -5,-2.7 -6,-0.1 -2,-0.1 -0.383 63.8-114.7 -67.7 128.5 18.6 -9.5 52.5 49 49 A N B -C 42 0A 53 -7,-0.2 -7,-0.3 -2,-0.2 11,-0.2 -0.268 21.2-167.6 -65.9 142.4 16.8 -7.0 50.2 50 50 A b S S+ 0 0 0 -9,-2.7 7,-2.5 1,-0.3 2,-0.4 0.609 87.5 26.3 -88.0 -20.7 18.6 -4.0 48.8 51 51 A Y E +V 56 0E 15 -10,-1.0 -10,-0.4 5,-0.3 2,-0.4 -0.990 68.1 175.4-144.9 128.3 15.2 -2.7 47.6 52 52 A T E > -V 55 0E 93 3,-2.4 3,-2.0 -2,-0.4 2,-0.8 -0.992 64.7 -30.6-137.2 132.7 11.8 -3.4 49.1 53 53 A G T 3 S- 0 0 34 -2,-0.4 3,-0.0 1,-0.2 141,-0.0 -0.504 126.9 -28.2 67.5-107.5 8.5 -1.9 48.0 54 54 A N T 3 S+ 0 0 28 -2,-0.8 2,-0.3 2,-0.1 -1,-0.2 0.072 120.8 77.4-130.8 22.3 9.6 1.6 46.9 55 55 A E E < -V 52 0E 79 -3,-2.0 -3,-2.4 142,-0.1 2,-0.2 -0.985 65.6-130.9-137.2 150.2 12.7 2.3 49.0 56 56 A W E -V 51 0E 17 -2,-0.3 2,-0.9 -5,-0.2 -5,-0.3 -0.571 31.5-108.8 -89.1 155.2 16.3 1.3 49.0 57 57 A D > - 0 0 57 -7,-2.5 4,-2.5 -2,-0.2 3,-0.3 -0.782 26.5-159.2 -81.1 109.0 18.2 -0.0 52.1 58 58 A T T 4 S+ 0 0 113 -2,-0.9 -1,-0.2 1,-0.2 -8,-0.0 0.634 88.4 61.8 -73.1 -8.3 20.4 2.9 52.9 59 59 A S T 4 S+ 0 0 103 2,-0.2 -1,-0.2 1,-0.1 -9,-0.1 0.933 116.2 28.5 -74.0 -48.9 22.7 0.6 54.9 60 60 A L T 4 S+ 0 0 29 -3,-0.3 10,-0.3 1,-0.2 -2,-0.2 0.746 133.6 38.6 -79.4 -25.0 23.5 -1.5 51.8 61 61 A c < + 0 0 4 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 -0.513 58.5 144.3-133.0 62.7 23.0 1.4 49.4 62 62 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.660 83.3 4.1 -71.6 -19.1 24.4 4.7 50.9 63 63 A D S > S- 0 0 67 -3,-0.1 4,-2.5 124,-0.0 5,-0.2 -0.958 86.0 -97.6-156.4 168.4 25.5 5.7 47.4 64 64 A G H > S+ 0 0 14 -2,-0.3 120,-2.1 1,-0.2 4,-1.7 0.823 118.4 45.4 -63.6 -37.6 25.2 4.3 43.9 65 65 A K H > S+ 0 0 147 118,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 114.2 47.7 -72.8 -47.7 28.6 2.7 43.6 66 66 A T H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.941 112.5 51.5 -56.5 -47.2 28.4 1.1 47.1 67 67 A c H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.920 109.2 48.2 -56.0 -47.6 24.9 -0.2 46.3 68 68 A A H < S+ 0 0 2 -4,-1.7 -66,-0.2 1,-0.2 -1,-0.2 0.801 112.7 49.4 -67.7 -28.5 26.0 -1.8 43.0 69 69 A A H < S+ 0 0 58 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.851 118.1 39.9 -73.8 -33.2 29.0 -3.4 44.7 70 70 A N H < S+ 0 0 55 -4,-2.1 -26,-2.3 -10,-0.3 2,-0.4 0.555 107.4 71.5 -88.2 -14.7 26.7 -4.8 47.5 71 71 A b E < - B 0 43A 0 -4,-1.3 -69,-3.0 -28,-0.3 2,-0.4 -0.912 56.2-162.9-127.8 135.1 23.7 -5.8 45.6 72 72 A A E -aB 2 42A 2 -30,-3.2 -30,-2.2 -2,-0.4 2,-0.3 -0.918 16.4-136.3-116.0 138.9 22.8 -8.6 43.1 73 73 A L E -aB 3 41A 2 -71,-2.6 -69,-3.4 -2,-0.4 2,-0.2 -0.731 33.0-157.2 -81.0 142.5 20.0 -9.1 40.6 74 74 A D - 0 0 0 -34,-1.6 -34,-0.1 -2,-0.3 -66,-0.1 -0.638 19.8 -76.3-123.9 174.9 18.6 -12.6 40.7 75 75 A G - 0 0 10 -68,-1.0 2,-0.4 -2,-0.2 -35,-0.3 -0.160 43.8-131.1 -69.8 164.2 16.7 -15.1 38.5 76 76 A A - 0 0 12 -68,-0.1 2,-1.2 -37,-0.1 -66,-0.4 -0.922 12.4-135.3-123.3 140.6 13.0 -14.9 37.9 77 77 A D >> - 0 0 93 -2,-0.4 4,-2.4 1,-0.2 5,-1.1 -0.796 31.7-165.2 -85.8 94.1 10.0 -17.3 38.0 78 78 A Y H >5S+ 0 0 15 -2,-1.2 6,-2.4 -68,-0.2 4,-0.8 0.916 78.9 27.0 -55.2 -51.5 8.7 -16.1 34.7 79 79 A S H >5S+ 0 0 66 4,-0.3 4,-1.4 3,-0.2 -1,-0.2 0.933 123.9 47.3 -76.1 -46.9 5.2 -17.6 34.9 80 80 A G H 45S+ 0 0 46 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.867 126.8 22.6 -69.2 -39.6 4.7 -17.7 38.6 81 81 A T H <5S+ 0 0 63 -4,-2.4 19,-0.2 3,-0.1 -3,-0.2 0.826 136.9 25.5 -94.5 -36.4 5.9 -14.2 39.6 82 82 A Y H < -W 100 0F 30 3,-2.4 3,-3.0 -2,-0.5 2,-0.1 -0.951 67.9 -55.1-133.0 108.9 0.1 -11.6 38.7 98 98 A G T 3 S- 0 0 74 -2,-0.5 -17,-0.1 1,-0.3 -16,-0.0 -0.367 122.5 -20.6 54.5-124.5 -0.3 -11.5 42.5 99 99 A S T 3 S+ 0 0 104 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.408 116.6 105.4 -95.0 5.3 1.2 -8.1 43.5 100 100 A N E < -W 97 0F 24 -3,-3.0 -3,-2.4 -19,-0.2 2,-0.5 -0.697 54.7-158.8 -86.2 136.3 3.2 -7.8 40.3 101 101 A V E -W 96 0F 41 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.952 49.0 -36.1-118.0 120.2 2.0 -5.4 37.6 102 102 A G - 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