==== 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 1Z3T . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR W.UBHAYASEKERA,J.STAHLBERG,S.L.MOWBRAY . 431 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 64.0 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 . 35 8.1 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 . 42 9.7 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 . 7 5 2 4 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 1 0 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,-2.5 0, 0.0 159,-0.7 0.000 360.0 360.0 360.0 148.7 24.8 -4.4 40.2 2 2 A Q E -a 72 0A 55 69,-2.9 71,-2.5 66,-0.3 2,-0.6 -0.421 360.0-105.0 -82.0 167.0 26.2 -7.9 41.0 3 3 A A E -a 73 0A 44 69,-0.2 71,-0.2 156,-0.2 2,-0.1 -0.855 36.6-147.4 -93.7 117.4 24.9 -11.2 39.7 4 4 A G - 0 0 4 69,-3.3 40,-0.1 -2,-0.6 71,-0.1 -0.474 13.8-163.6 -87.8 162.1 23.0 -13.1 42.3 5 5 A T + 0 0 127 -2,-0.1 3,-0.1 39,-0.1 -1,-0.1 0.138 62.3 98.1-131.0 15.3 22.8 -16.9 42.6 6 6 A N S S+ 0 0 48 1,-0.2 2,-0.4 40,-0.1 68,-0.1 0.757 93.9 31.3 -77.2 -22.7 19.9 -17.6 45.0 7 7 A T S S- 0 0 57 70,-0.0 68,-1.0 2,-0.0 -1,-0.2 -0.987 88.6-118.9-138.7 129.0 17.6 -18.3 42.0 8 8 A A - 0 0 72 -2,-0.4 2,-0.7 -3,-0.1 68,-0.1 -0.296 21.7-136.0 -68.8 144.4 18.6 -19.8 38.7 9 9 A E + 0 0 20 66,-0.2 2,-0.6 68,-0.1 -1,-0.1 -0.901 27.7 172.9-102.5 103.9 18.0 -17.6 35.7 10 10 A N - 0 0 128 -2,-0.7 68,-0.2 66,-0.4 66,-0.0 -0.948 23.9-143.3-114.2 108.0 16.5 -19.7 32.9 11 11 A H - 0 0 15 -2,-0.6 22,-0.2 1,-0.1 -2,-0.0 -0.607 20.6-117.3 -74.1 125.2 15.4 -17.5 29.9 12 12 A P - 0 0 25 0, 0.0 20,-2.2 0, 0.0 2,-0.3 -0.254 32.6-113.8 -56.6 143.0 12.2 -18.6 28.1 13 13 A Q B +D 31 0B 132 18,-0.2 75,-0.5 73,-0.2 2,-0.3 -0.648 36.0 174.8 -80.9 137.7 12.7 -19.6 24.5 14 14 A L B -k 88 0C 0 16,-2.5 75,-0.2 -2,-0.3 16,-0.2 -0.753 20.2-148.8-141.9 100.2 11.1 -17.4 21.8 15 15 A Q - 0 0 90 73,-3.5 403,-0.5 -2,-0.3 2,-0.3 -0.277 16.6-175.7 -71.2 143.3 12.1 -18.4 18.3 16 16 A S E -L 28 0D 2 12,-1.8 12,-2.8 401,-0.1 2,-0.4 -0.805 17.6-127.4-127.9 169.8 12.3 -15.8 15.6 17 17 A Q E -Lm 27 419D 46 401,-1.8 403,-2.1 -2,-0.3 2,-0.5 -0.987 5.4-152.8-122.1 140.7 13.0 -16.0 11.9 18 18 A Q E -Lm 26 420D 98 8,-2.7 8,-2.3 -2,-0.4 2,-0.3 -0.909 24.5-162.9-109.5 132.6 15.6 -14.2 9.7 19 19 A a E -Lm 25 421D 2 401,-2.5 403,-1.7 -2,-0.5 2,-0.3 -0.841 14.7-175.8-126.8 142.3 14.4 -13.8 6.0 20 20 A T E > -L 24 0D 60 4,-1.9 4,-1.8 -2,-0.3 401,-0.0 -0.954 36.1-116.3-133.2 156.0 16.1 -13.1 2.7 21 21 A T T 4 S+ 0 0 112 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.960 113.6 29.6 -56.0 -47.3 14.7 -12.6 -0.8 22 22 A S T 4 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.849 125.6 40.8 -82.9 -35.1 16.5 -15.5 -2.2 23 23 A G T 4 S- 0 0 40 1,-0.3 -2,-0.2 3,-0.0 2,-0.2 0.573 91.5-144.0 -93.0 -15.9 16.8 -17.9 0.7 24 24 A G E < -L 20 0D 32 -4,-1.8 -4,-1.9 2,-0.0 2,-0.4 -0.499 48.5 -25.6 82.3-157.7 13.4 -17.6 2.4 25 25 A a E -L 19 0D 36 -6,-0.2 -6,-0.2 -2,-0.2 396,-0.1 -0.786 53.1-172.0-100.7 138.1 13.0 -17.7 6.2 26 26 A K E -L 18 0D 129 -8,-2.3 -8,-2.7 -2,-0.4 -2,-0.0 -0.981 25.5-118.2-126.3 128.1 15.4 -19.5 8.6 27 27 A P E -L 17 0D 81 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.398 19.8-157.7 -69.8 148.7 14.7 -19.9 12.3 28 28 A L E -L 16 0D 41 -12,-2.8 2,-1.9 -2,-0.0 -12,-1.8 -0.986 21.0-129.0-120.6 133.6 16.9 -18.4 15.1 29 29 A S + 0 0 98 -2,-0.4 -14,-0.1 -14,-0.2 2,-0.1 -0.411 47.6 163.6 -80.9 59.8 16.9 -19.9 18.6 30 30 A T - 0 0 3 -2,-1.9 -16,-2.5 -16,-0.2 2,-0.2 -0.363 18.1-162.5 -75.6 164.3 16.3 -16.6 20.4 31 31 A K E -DE 13 108B 43 77,-1.8 77,-3.2 -18,-0.3 2,-0.3 -0.739 12.8-119.9-134.8 173.6 15.2 -16.2 24.0 32 32 A V E - E 0 107B 0 -20,-2.2 2,-0.4 75,-0.2 75,-0.2 -0.975 16.7-161.6-122.6 154.4 13.7 -13.5 26.3 33 33 A V E - E 0 106B 0 73,-1.7 73,-2.4 -2,-0.3 2,-0.2 -0.995 23.0-117.1-135.2 136.1 14.9 -11.9 29.5 34 34 A L E - E 0 105B 0 -2,-0.4 71,-0.2 71,-0.2 5,-0.1 -0.468 39.8-105.5 -69.6 132.9 13.0 -9.9 32.2 35 35 A D > - 0 0 0 69,-2.7 3,-1.9 -2,-0.2 4,-0.3 -0.292 27.5-117.8 -57.1 142.3 14.1 -6.3 32.6 36 36 A S G > S+ 0 0 4 129,-2.5 3,-1.3 1,-0.3 130,-0.1 0.749 105.9 71.0 -59.1 -28.3 16.3 -5.6 35.8 37 37 A N G 3 S+ 0 0 25 128,-0.3 -1,-0.3 1,-0.3 128,-0.1 0.749 97.1 50.9 -62.6 -23.1 13.7 -3.2 37.3 38 38 A W G < S+ 0 0 61 -3,-1.9 -1,-0.3 66,-0.1 -2,-0.2 0.572 94.0 99.0 -90.5 -11.4 11.3 -6.0 38.0 39 39 A R S < S- 0 0 7 -3,-1.3 2,-0.2 -4,-0.3 36,-0.1 -0.409 80.5 -97.5 -81.8 160.1 13.8 -8.3 39.8 40 40 A W - 0 0 75 35,-0.2 34,-1.6 34,-0.1 2,-0.5 -0.489 36.2-158.7 -66.1 130.7 14.6 -9.0 43.4 41 41 A V E +B 73 0A 2 10,-0.4 9,-2.3 32,-0.2 10,-1.0 -0.985 24.1 158.0-117.2 119.8 17.6 -7.0 44.6 42 42 A H E -BC 72 49A 4 30,-2.4 30,-2.9 -2,-0.5 7,-0.2 -0.926 46.0 -71.9-142.1 169.8 19.4 -8.3 47.6 43 43 A S E > -B 71 0A 13 5,-2.8 3,-1.7 -2,-0.3 28,-0.2 -0.227 39.5-128.7 -62.3 140.9 22.7 -8.3 49.5 44 44 A T T 3 S+ 0 0 76 26,-2.5 -1,-0.2 1,-0.3 27,-0.1 0.748 107.6 53.0 -66.1 -16.9 25.6 -10.2 47.7 45 45 A S T 3 S- 0 0 110 25,-0.4 -1,-0.3 3,-0.1 2,-0.3 0.272 124.3 -30.7-103.9 19.0 26.2 -12.1 50.8 46 46 A G S < S- 0 0 23 -3,-1.7 -40,-0.1 2,-0.1 -4,-0.1 -0.844 83.6 -53.1 177.2-135.9 22.7 -13.4 51.6 47 47 A Y S S+ 0 0 150 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 0.414 75.7 124.4-120.3 0.2 18.9 -12.8 51.3 48 48 A T - 0 0 87 1,-0.1 -5,-2.8 -6,-0.1 -2,-0.1 -0.403 63.6-115.5 -69.8 133.6 18.5 -9.3 52.8 49 49 A N B -C 42 0A 61 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.396 21.5-168.2 -70.3 139.9 16.7 -6.9 50.4 50 50 A b S S+ 0 0 0 -9,-2.3 7,-2.5 1,-0.3 2,-0.3 0.570 87.5 27.7 -86.7 -22.9 18.5 -3.8 49.1 51 51 A Y E +U 56 0E 21 -10,-1.0 -10,-0.4 5,-0.3 2,-0.4 -0.977 68.2 174.0-142.3 132.9 15.2 -2.5 47.8 52 52 A T E > -U 55 0E 89 3,-2.4 3,-1.7 -2,-0.3 2,-0.7 -0.995 64.0 -30.2-142.0 128.2 11.7 -3.3 49.2 53 53 A G T 3 S- 0 0 32 -2,-0.4 3,-0.0 1,-0.2 141,-0.0 -0.501 126.6 -27.9 67.7-113.2 8.5 -1.7 48.1 54 54 A N T 3 S+ 0 0 28 -2,-0.7 2,-0.3 2,-0.1 -1,-0.2 0.131 121.8 75.3-125.1 25.3 9.4 1.7 46.9 55 55 A E E < -U 52 0E 73 -3,-1.7 -3,-2.4 142,-0.1 2,-0.2 -0.977 66.6-128.4-141.7 147.8 12.5 2.4 49.0 56 56 A W E -U 51 0E 24 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.3 -0.507 33.2-105.1 -87.7 157.0 16.2 1.4 49.3 57 57 A D > - 0 0 59 -7,-2.5 4,-2.3 -2,-0.2 3,-0.2 -0.775 27.0-155.0 -83.3 114.3 18.0 0.0 52.4 58 58 A T T 4 S+ 0 0 122 -2,-0.7 -1,-0.1 1,-0.2 -8,-0.0 0.740 89.7 56.7 -67.8 -20.5 20.2 3.0 53.6 59 59 A S T 4 S+ 0 0 101 2,-0.2 -1,-0.2 1,-0.2 -9,-0.1 0.917 116.9 31.3 -75.0 -44.3 22.6 0.7 55.3 60 60 A L T 4 S+ 0 0 29 -3,-0.2 10,-0.2 1,-0.2 -2,-0.2 0.739 129.7 40.5 -84.0 -23.7 23.5 -1.4 52.2 61 61 A c < + 0 0 6 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 -0.440 58.5 142.8-132.5 64.2 23.0 1.5 49.8 62 62 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.807 81.2 3.7 -70.4 -35.1 24.3 4.8 51.1 63 63 A D S > S- 0 0 70 -3,-0.2 4,-2.1 124,-0.1 5,-0.2 -0.905 86.0 -97.7-141.0 169.4 25.5 6.0 47.7 64 64 A G H > S+ 0 0 12 -2,-0.3 120,-2.0 1,-0.2 4,-1.7 0.806 118.0 46.4 -60.7 -40.0 25.3 4.6 44.2 65 65 A K H > S+ 0 0 138 118,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 112.8 49.6 -72.0 -47.2 28.7 2.9 43.9 66 66 A T H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.917 111.3 50.3 -55.3 -45.3 28.5 1.3 47.3 67 67 A c H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.909 107.5 52.4 -58.6 -44.9 25.0 -0.1 46.5 68 68 A A H < S+ 0 0 2 -4,-1.7 -66,-0.3 1,-0.2 -1,-0.2 0.825 112.3 46.9 -64.9 -30.3 26.1 -1.6 43.2 69 69 A A H < S+ 0 0 59 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 118.9 39.4 -79.7 -30.7 29.0 -3.3 45.0 70 70 A N H < S+ 0 0 56 -4,-2.1 -26,-2.5 -10,-0.2 2,-0.4 0.568 107.8 72.9 -89.9 -16.4 26.8 -4.6 47.8 71 71 A b E < - B 0 43A 0 -4,-1.5 -69,-2.9 -28,-0.2 2,-0.4 -0.889 55.9-165.4-117.4 139.8 23.7 -5.6 45.8 72 72 A A E -aB 2 42A 2 -30,-2.9 -30,-2.4 -2,-0.4 2,-0.3 -0.930 17.2-134.6-123.6 144.2 22.8 -8.3 43.4 73 73 A L E -aB 3 41A 0 -71,-2.5 -69,-3.3 -2,-0.4 2,-0.2 -0.720 32.4-155.8 -86.5 139.1 20.1 -9.0 40.8 74 74 A D - 0 0 0 -34,-1.6 -34,-0.1 -2,-0.3 -66,-0.1 -0.655 19.6 -80.2-119.9 173.4 18.6 -12.5 41.0 75 75 A G - 0 0 9 -68,-1.0 2,-0.3 -2,-0.2 -35,-0.2 -0.190 43.7-131.8 -64.7 161.6 16.9 -15.0 38.8 76 76 A A - 0 0 11 -68,-0.1 2,-1.1 -37,-0.1 -66,-0.4 -0.934 13.4-134.4-122.1 146.2 13.1 -14.9 38.1 77 77 A D >> - 0 0 93 -2,-0.3 4,-2.4 1,-0.2 5,-1.1 -0.803 32.3-166.0 -88.4 92.1 10.1 -17.3 38.2 78 78 A Y H >5S+ 0 0 16 -2,-1.1 6,-2.3 -68,-0.2 4,-0.8 0.905 78.6 27.3 -53.0 -51.7 8.8 -16.0 34.8 79 79 A S H >5S+ 0 0 65 4,-0.3 4,-1.3 3,-0.2 -1,-0.2 0.930 123.8 47.9 -77.3 -48.4 5.3 -17.6 35.0 80 80 A G H 45S+ 0 0 46 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.855 126.3 21.5 -61.1 -46.9 4.8 -17.7 38.7 81 81 A T H <5S+ 0 0 63 -4,-2.4 19,-0.2 3,-0.1 -1,-0.2 0.796 136.9 26.3 -89.5 -37.1 5.8 -14.2 39.7 82 82 A Y H < -V 100 0F 30 3,-2.3 3,-2.8 -2,-0.4 2,-0.1 -0.951 68.3 -55.1-134.7 105.9 0.1 -11.6 38.9 98 98 A G T 3 S- 0 0 75 -2,-0.4 -17,-0.1 1,-0.3 -16,-0.0 -0.364 122.4 -19.9 58.8-124.0 -0.2 -11.5 42.7 99 99 A S T 3 S+ 0 0 111 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.414 117.4 103.6 -95.9 6.7 1.3 -8.1 43.7 100 100 A N E < -V 97 0F 24 -3,-2.8 -3,-2.3 -19,-0.2 2,-0.5 -0.711 54.0-161.9 -89.3 135.2 3.2 -7.8 40.4 101 101 A V E -V 96 0F 47 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.958 49.7 -34.1-121.6 119.7 1.9 -5.4 37.7 102 102 A G - 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