==== 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 1Z3W . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR W.UBHAYASEKERA,A.VASELLA,J.STAHLBERG,S.L.MOWBRAY . 431 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16531.0 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 . 12 2.8 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 . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 10.0 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 . 1 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 2 0, 0.0 158,-2.9 0, 0.0 159,-0.7 0.000 360.0 360.0 360.0 148.7 24.9 -4.5 39.6 2 2 A Q E -a 72 0A 51 69,-3.1 71,-2.5 66,-0.2 2,-0.6 -0.417 360.0-104.4 -84.9 169.4 26.4 -7.9 40.4 3 3 A A E -a 73 0A 45 69,-0.2 71,-0.2 156,-0.2 2,-0.1 -0.864 35.3-145.0 -98.0 125.1 25.0 -11.2 39.2 4 4 A G - 0 0 3 69,-3.2 69,-0.1 -2,-0.6 40,-0.1 -0.436 15.0-167.1 -88.0 162.4 23.1 -13.2 41.8 5 5 A T + 0 0 126 -2,-0.1 3,-0.1 39,-0.1 -1,-0.1 0.322 63.5 96.1-130.2 1.1 23.0 -17.0 42.1 6 6 A N S S+ 0 0 48 1,-0.2 2,-0.4 40,-0.1 68,-0.1 0.797 94.6 32.2 -66.8 -28.1 20.1 -17.6 44.5 7 7 A T S S- 0 0 54 70,-0.0 68,-1.1 2,-0.0 -1,-0.2 -0.986 89.3-120.9-134.4 119.9 17.8 -18.3 41.6 8 8 A A - 0 0 75 -2,-0.4 2,-0.7 67,-0.1 68,-0.1 -0.300 23.6-135.5 -57.9 140.3 18.8 -19.8 38.3 9 9 A E + 0 0 16 66,-0.2 2,-0.6 68,-0.1 -1,-0.1 -0.888 27.8 174.3-104.2 107.4 18.1 -17.6 35.3 10 10 A N - 0 0 124 -2,-0.7 68,-0.2 66,-0.4 66,-0.1 -0.953 23.3-142.0-114.1 113.6 16.6 -19.5 32.4 11 11 A H - 0 0 14 -2,-0.6 22,-0.2 1,-0.1 100,-0.0 -0.610 22.2-118.8 -78.5 125.0 15.5 -17.4 29.4 12 12 A P - 0 0 27 0, 0.0 20,-2.3 0, 0.0 2,-0.3 -0.332 32.8-112.3 -57.2 141.8 12.3 -18.5 27.8 13 13 A Q B +D 31 0B 122 18,-0.2 75,-0.5 73,-0.1 2,-0.3 -0.620 36.5 175.5 -79.3 136.1 12.8 -19.5 24.2 14 14 A L - 0 0 0 16,-2.4 75,-0.2 -2,-0.3 16,-0.2 -0.781 19.8-148.9-141.2 98.0 11.1 -17.4 21.6 15 15 A Q - 0 0 87 73,-3.7 403,-0.5 -2,-0.3 2,-0.3 -0.306 17.1-176.4 -65.9 141.5 12.0 -18.4 18.0 16 16 A S E -L 28 0C 1 12,-1.7 12,-2.8 401,-0.1 2,-0.4 -0.813 18.9-125.2-126.3 174.2 12.2 -15.7 15.4 17 17 A Q E -Lm 27 419C 51 401,-1.8 403,-2.3 -2,-0.3 2,-0.5 -0.986 7.3-153.4-126.2 136.9 12.8 -16.0 11.6 18 18 A Q E -Lm 26 420C 95 8,-2.9 8,-2.0 -2,-0.4 2,-0.4 -0.925 23.7-164.6-105.2 128.2 15.4 -14.2 9.5 19 19 A a E -Lm 25 421C 2 401,-2.9 403,-1.8 -2,-0.5 2,-0.3 -0.881 15.2-176.6-122.2 141.5 14.4 -13.8 5.9 20 20 A T E > -L 24 0C 57 4,-2.0 4,-1.8 -2,-0.4 401,-0.0 -0.923 35.8-117.5-126.6 161.6 16.1 -12.9 2.6 21 21 A T T 4 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.915 113.3 32.2 -60.8 -43.8 14.6 -12.4 -0.9 22 22 A S T 4 S+ 0 0 122 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.800 127.2 37.5 -85.1 -30.8 16.5 -15.3 -2.4 23 23 A G T 4 S- 0 0 44 1,-0.3 -2,-0.2 3,-0.0 -1,-0.1 0.540 91.9-146.1-105.6 -10.3 16.7 -17.7 0.5 24 24 A G E < -L 20 0C 33 -4,-1.8 -4,-2.0 2,-0.0 2,-0.3 -0.363 47.0 -26.1 74.5-157.5 13.3 -17.2 2.2 25 25 A a E -L 19 0C 38 -6,-0.2 -6,-0.2 -4,-0.1 396,-0.1 -0.721 53.2-176.1-101.9 143.4 12.9 -17.5 5.9 26 26 A K E -L 18 0C 138 -8,-2.0 -8,-2.9 -2,-0.3 2,-0.1 -0.984 27.8-109.3-134.9 143.5 15.0 -19.5 8.4 27 27 A P E -L 17 0C 80 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.426 21.5-159.4 -74.2 143.9 14.6 -19.9 12.2 28 28 A L E -L 16 0C 43 -12,-2.8 2,-1.8 -2,-0.1 -12,-1.7 -0.984 22.4-130.1-116.8 135.9 16.8 -18.4 14.9 29 29 A S + 0 0 90 -2,-0.4 -14,-0.1 -14,-0.2 -12,-0.1 -0.359 50.1 160.7 -78.6 57.4 16.9 -19.9 18.4 30 30 A T - 0 0 2 -2,-1.8 -16,-2.4 -16,-0.2 2,-0.2 -0.295 18.9-165.9 -77.2 165.4 16.3 -16.5 20.1 31 31 A K E -DE 13 108B 42 77,-1.9 77,-3.3 -18,-0.3 2,-0.3 -0.770 14.7-117.2-138.7 178.0 15.1 -16.1 23.6 32 32 A V E - E 0 107B 0 -20,-2.3 2,-0.4 75,-0.2 75,-0.2 -0.949 17.9-160.7-126.4 155.2 13.7 -13.4 25.9 33 33 A V E - E 0 106B 0 73,-1.6 73,-2.1 -2,-0.3 2,-0.2 -0.998 22.3-116.6-136.0 133.7 15.0 -11.9 29.1 34 34 A L E - E 0 105B 0 -2,-0.4 71,-0.3 71,-0.2 5,-0.1 -0.423 39.1-104.0 -68.3 138.1 13.2 -9.9 31.8 35 35 A D > - 0 0 0 69,-2.9 3,-1.9 -2,-0.2 4,-0.4 -0.295 26.9-118.9 -62.9 143.1 14.3 -6.3 32.3 36 36 A S G > S+ 0 0 2 129,-2.7 3,-1.3 1,-0.3 130,-0.1 0.744 106.1 69.6 -59.3 -27.8 16.5 -5.6 35.4 37 37 A N G 3 S+ 0 0 24 128,-0.3 -1,-0.3 1,-0.3 128,-0.1 0.751 97.8 51.6 -64.5 -22.1 14.0 -3.2 37.0 38 38 A W G < S+ 0 0 60 -3,-1.9 -1,-0.3 66,-0.2 -2,-0.2 0.602 93.5 102.5 -88.2 -11.8 11.6 -6.1 37.7 39 39 A R S < S- 0 0 6 -3,-1.3 2,-0.2 -4,-0.4 36,-0.1 -0.309 79.7-102.5 -81.9 155.2 14.2 -8.3 39.4 40 40 A W - 0 0 73 35,-0.3 34,-1.6 34,-0.2 2,-0.5 -0.503 36.3-159.1 -61.2 134.3 14.9 -9.1 43.0 41 41 A V E +B 73 0A 2 10,-0.4 9,-3.1 32,-0.2 10,-1.1 -0.980 23.3 156.2-124.9 119.9 18.0 -7.1 44.1 42 42 A H E -BC 72 49A 3 30,-2.3 30,-3.3 -2,-0.5 7,-0.2 -0.893 46.7 -68.8-142.8 167.4 19.8 -8.4 47.1 43 43 A S E > -B 71 0A 13 5,-3.0 3,-1.7 -2,-0.3 28,-0.2 -0.258 39.3-130.8 -57.4 138.2 23.2 -8.5 49.0 44 44 A T T 3 S+ 0 0 74 26,-2.4 -1,-0.2 1,-0.3 27,-0.1 0.770 107.2 53.1 -60.4 -25.8 25.9 -10.4 47.1 45 45 A S T 3 S- 0 0 111 25,-0.3 -1,-0.3 3,-0.1 2,-0.2 0.250 125.1 -30.7 -98.6 15.6 26.7 -12.2 50.3 46 46 A G S < S- 0 0 24 -3,-1.7 -40,-0.1 2,-0.1 -4,-0.1 -0.819 84.0 -53.4 176.6-135.9 23.2 -13.5 51.1 47 47 A Y S S+ 0 0 155 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.1 0.357 73.9 127.6-124.2 -0.1 19.5 -12.9 50.9 48 48 A T - 0 0 90 1,-0.1 -5,-3.0 -6,-0.1 -2,-0.1 -0.454 62.4-117.4 -67.1 125.0 19.1 -9.4 52.3 49 49 A N B -C 42 0A 55 -2,-0.3 -7,-0.3 -7,-0.2 11,-0.2 -0.329 21.3-167.6 -63.0 139.1 17.1 -7.1 50.0 50 50 A b S S+ 0 0 0 -9,-3.1 7,-2.6 1,-0.3 2,-0.4 0.604 86.2 28.5 -90.6 -20.5 18.9 -4.0 48.6 51 51 A Y E +U 56 0D 16 -10,-1.1 -10,-0.4 5,-0.3 2,-0.4 -0.984 69.0 177.1-143.2 127.7 15.5 -2.7 47.4 52 52 A T E > -U 55 0D 88 3,-2.4 3,-2.1 -2,-0.4 2,-0.8 -0.998 63.8 -35.0-135.7 130.7 12.1 -3.4 48.9 53 53 A G T 3 S- 0 0 32 -2,-0.4 3,-0.0 1,-0.3 141,-0.0 -0.458 126.9 -25.8 62.0-102.2 8.8 -2.0 47.8 54 54 A N T 3 S+ 0 0 29 -2,-0.8 2,-0.3 141,-0.1 -1,-0.3 0.134 121.2 74.2-131.3 21.2 9.8 1.5 46.6 55 55 A E E < -U 52 0D 78 -3,-2.1 -3,-2.4 142,-0.1 2,-0.2 -0.985 66.8-127.2-138.8 149.4 13.0 2.2 48.7 56 56 A W E -U 51 0D 22 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.3 -0.531 33.7-104.8 -86.0 155.3 16.6 1.2 48.8 57 57 A D > - 0 0 60 -7,-2.6 4,-2.5 -2,-0.2 -1,-0.1 -0.736 27.2-155.5 -78.8 116.1 18.5 -0.1 51.8 58 58 A T T 4 S+ 0 0 119 -2,-0.7 -1,-0.2 1,-0.2 -8,-0.0 0.696 90.5 55.7 -71.9 -17.3 20.6 2.9 52.9 59 59 A S T 4 S+ 0 0 100 2,-0.2 -1,-0.2 1,-0.1 -9,-0.1 0.910 117.9 31.0 -76.8 -47.3 23.1 0.6 54.6 60 60 A L T 4 S+ 0 0 28 1,-0.2 10,-0.3 -11,-0.2 -2,-0.2 0.786 132.1 37.4 -78.2 -27.8 23.8 -1.5 51.5 61 61 A c < + 0 0 6 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 -0.458 59.5 144.0-130.8 59.2 23.2 1.4 49.2 62 62 A P S S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.628 82.6 3.2 -70.4 -17.6 24.5 4.6 50.7 63 63 A D S > S- 0 0 65 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.959 85.5 -94.7-159.8 170.3 25.6 5.7 47.2 64 64 A G H > S+ 0 0 13 -2,-0.3 120,-2.1 1,-0.2 4,-1.8 0.840 118.8 42.7 -61.7 -40.8 25.4 4.5 43.6 65 65 A K H > S+ 0 0 139 2,-0.2 4,-1.7 118,-0.2 -1,-0.2 0.928 114.4 48.9 -75.7 -46.4 28.8 2.8 43.4 66 66 A T H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.907 111.7 52.3 -58.2 -41.7 28.7 1.1 46.8 67 67 A c H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.937 108.0 49.1 -58.6 -49.6 25.2 -0.1 46.0 68 68 A A H < S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 -66,-0.2 0.803 113.2 48.3 -64.7 -28.4 26.3 -1.7 42.7 69 69 A A H < S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 117.9 40.0 -78.5 -32.3 29.2 -3.4 44.4 70 70 A N H < S+ 0 0 55 -4,-1.9 -26,-2.4 -10,-0.3 2,-0.4 0.617 107.8 72.2 -89.4 -15.8 27.0 -4.7 47.3 71 71 A b E < - B 0 43A 0 -4,-1.6 -69,-3.1 -28,-0.2 2,-0.4 -0.884 55.4-164.6-124.1 138.0 24.0 -5.7 45.3 72 72 A A E -aB 2 42A 2 -30,-3.3 -30,-2.3 -2,-0.4 2,-0.3 -0.908 17.2-136.4-119.8 139.4 23.1 -8.5 42.9 73 73 A L E -aB 3 41A 0 -71,-2.5 -69,-3.2 -2,-0.4 2,-0.2 -0.728 33.4-154.3 -82.9 141.6 20.2 -9.0 40.4 74 74 A D - 0 0 0 -34,-1.6 -34,-0.2 -2,-0.3 -66,-0.1 -0.671 19.4 -76.7-121.0 175.6 18.9 -12.5 40.5 75 75 A G - 0 0 9 -68,-1.1 2,-0.4 -2,-0.2 -35,-0.3 -0.149 44.8-132.0 -67.1 162.4 17.0 -15.0 38.4 76 76 A A - 0 0 11 -68,-0.1 2,-1.2 -37,-0.1 -66,-0.4 -0.923 12.4-135.9-123.3 140.5 13.3 -14.8 37.7 77 77 A D >> - 0 0 93 -2,-0.4 4,-2.4 1,-0.2 5,-1.1 -0.809 31.2-165.3 -85.5 94.3 10.4 -17.2 37.8 78 78 A Y H >5S+ 0 0 15 -2,-1.2 6,-2.5 -68,-0.2 4,-0.8 0.899 78.8 26.9 -54.6 -50.8 9.0 -15.9 34.5 79 79 A S H >5S+ 0 0 64 4,-0.3 4,-1.4 3,-0.2 -1,-0.2 0.934 123.4 48.8 -78.7 -47.6 5.5 -17.4 34.7 80 80 A G H 45S+ 0 0 46 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.870 126.6 21.2 -64.9 -41.9 5.1 -17.6 38.4 81 81 A T H <5S+ 0 0 64 -4,-2.4 19,-0.2 3,-0.1 -1,-0.2 0.821 137.4 25.2 -96.1 -37.8 6.1 -14.1 39.4 82 82 A Y H < -V 100 0E 30 3,-2.4 3,-2.6 -2,-0.5 2,-0.1 -0.930 68.3 -58.3-132.5 103.9 0.4 -11.4 38.6 98 98 A G T 3 S- 0 0 73 -2,-0.4 -17,-0.1 1,-0.3 -1,-0.0 -0.397 120.5 -18.6 57.2-125.6 0.0 -11.1 42.4 99 99 A S T 3 S+ 0 0 104 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.438 117.6 102.4 -91.2 -0.3 1.6 -7.8 43.3 100 100 A N E < -V 97 0E 25 -3,-2.6 -3,-2.4 -19,-0.2 2,-0.5 -0.699 55.9-160.9 -85.0 133.3 3.5 -7.6 40.1 101 101 A V E -V 96 0E 45 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.957 48.9 -36.0-117.9 119.5 2.2 -5.2 37.4 102 102 A G - 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