==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JAN-03 1OA7 . COMPND 2 MOLECULE: CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MELANOCARPUS ALBOMYCES; . AUTHOR M.HIRVONEN,A.C.PAPAGEORGIOU . 207 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.4 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-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 . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 1 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 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 5 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 A 0 0 59 0, 0.0 182,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.5 28.9 10.4 39.9 2 2 A N E +A 182 0A 117 180,-0.2 2,-0.3 178,-0.0 180,-0.2 -0.907 360.0 155.9-115.4 142.7 28.4 8.9 36.5 3 3 A G E -A 181 0A 1 178,-2.5 178,-2.0 -2,-0.4 2,-0.3 -0.932 28.3-129.6-153.0 174.0 27.7 10.7 33.2 4 4 A Q E -b 118 0A 83 113,-2.2 115,-2.4 -2,-0.3 2,-0.3 -0.917 20.7-142.2-129.6 161.5 27.9 10.6 29.5 5 5 A S E +b 119 0A 4 174,-0.3 2,-0.3 -2,-0.3 115,-0.2 -0.811 18.1 176.4-126.7 165.3 29.3 12.9 26.8 6 6 A T E -b 120 0A 40 113,-1.7 115,-2.4 -2,-0.3 2,-0.3 -0.765 27.2-126.2-141.7-177.8 28.8 14.3 23.4 7 7 A R E +b 121 0A 35 -2,-0.3 140,-0.5 113,-0.3 2,-0.3 -0.970 33.0 148.5-137.8 154.5 30.8 17.0 21.5 8 8 A Y E -b 122 0A 27 113,-2.4 115,-3.2 -2,-0.3 120,-0.2 -0.987 28.4-166.8-173.5 167.7 29.9 20.2 19.8 9 9 A W + 0 0 4 118,-2.3 116,-0.3 -2,-0.3 118,-0.2 -0.628 17.4 161.6-167.6 102.1 30.7 23.8 18.7 10 10 A D - 0 0 17 -2,-0.2 123,-2.6 2,-0.1 124,-0.4 0.300 50.0-123.7-110.0 7.2 27.9 26.0 17.5 11 11 A a + 0 0 0 1,-0.2 43,-1.3 122,-0.2 35,-0.2 0.494 62.7 144.8 63.6 5.3 29.6 29.4 17.9 12 12 A b B -H 53 0B 14 41,-0.2 -1,-0.2 1,-0.1 41,-0.2 -0.383 62.2 -94.9 -75.5 152.3 26.6 30.5 20.1 13 13 A K - 0 0 11 39,-0.7 2,-0.2 41,-0.1 41,-0.1 -0.382 52.3-107.6 -59.6 137.3 27.0 32.9 23.1 14 14 A P > - 0 0 6 0, 0.0 3,-2.2 0, 0.0 95,-0.2 -0.480 15.4-129.7 -72.9 143.5 27.3 30.6 26.1 15 15 A S G > S+ 0 0 30 1,-0.3 3,-1.5 2,-0.2 94,-0.2 0.880 112.2 54.6 -56.8 -39.0 24.3 30.5 28.5 16 16 A c G 3 S+ 0 0 2 92,-2.1 12,-2.3 1,-0.3 -1,-0.3 0.390 88.2 84.4 -76.6 6.8 26.6 31.2 31.5 17 17 A G G < S+ 0 0 0 -3,-2.2 2,-0.3 10,-0.2 -1,-0.3 0.514 76.8 81.6 -83.8 -6.6 27.7 34.2 29.5 18 18 A W S X S- 0 0 89 -3,-1.5 3,-0.6 -4,-0.1 10,-0.2 -0.767 87.5-111.8 -99.2 146.7 24.7 36.1 30.9 19 19 A R T 3 S+ 0 0 159 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.345 96.9 41.7 -70.6 156.9 24.7 37.7 34.3 20 20 A G T 3 S+ 0 0 77 2,-0.3 -1,-0.2 4,-0.1 62,-0.1 0.627 75.6 113.6 81.7 14.5 22.4 36.3 36.9 21 21 A K S < S- 0 0 55 -3,-0.6 64,-0.4 1,-0.3 -2,-0.1 0.377 88.8 -31.2 -97.0 3.4 23.1 32.6 36.1 22 22 A G S S- 0 0 24 2,-0.1 2,-1.6 62,-0.1 -2,-0.3 -0.899 83.2 -60.2 162.4 170.9 24.9 32.0 39.5 23 23 A P S S+ 0 0 56 0, 0.0 178,-2.8 0, 0.0 179,-0.3 -0.599 77.6 141.6 -79.5 88.3 27.0 33.5 42.3 24 24 A V B -K 200 0C 30 -2,-1.6 176,-0.2 176,-0.2 -4,-0.1 -0.849 64.1-123.6-128.0 164.4 30.0 34.5 40.2 25 25 A N S S- 0 0 101 174,-1.5 -1,-0.1 1,-0.4 173,-0.1 0.904 98.2 -19.9 -69.7 -42.3 32.5 37.4 40.1 26 26 A Q S S- 0 0 43 173,-0.2 -1,-0.4 171,-0.2 173,-0.3 -0.958 79.1-101.1-159.3 154.8 31.5 37.9 36.4 27 27 A P - 0 0 8 0, 0.0 -10,-0.2 0, 0.0 2,-0.1 -0.154 57.0 -67.5 -75.9 177.4 29.9 35.7 33.8 28 28 A V - 0 0 0 -12,-2.3 169,-0.2 -10,-0.2 168,-0.1 -0.431 60.0-107.1 -65.7 135.6 31.7 33.8 31.0 29 29 A Y - 0 0 54 167,-2.0 26,-0.4 -2,-0.1 2,-0.3 -0.285 30.2-151.5 -61.8 149.3 33.3 36.1 28.4 30 30 A S - 0 0 1 8,-0.4 8,-2.8 24,-0.1 2,-0.3 -0.806 10.1-143.1-114.9 160.2 31.6 36.3 25.0 31 31 A d B -IJ 37 53B 0 22,-3.3 22,-3.5 -2,-0.3 6,-0.2 -0.872 9.3-121.1-125.4 158.6 33.5 37.1 21.8 32 32 A D > - 0 0 44 4,-2.4 3,-2.1 -2,-0.3 4,-0.1 -0.251 51.0 -80.5 -84.3-177.9 32.7 39.1 18.6 33 33 A A T 3 S+ 0 0 39 1,-0.3 -1,-0.1 18,-0.2 19,-0.1 0.734 131.6 56.5 -56.3 -24.1 32.8 37.6 15.1 34 34 A N T 3 S- 0 0 120 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.086 119.4-106.9 -97.6 22.8 36.6 38.0 15.1 35 35 A F S < S+ 0 0 35 -3,-2.1 2,-0.4 1,-0.2 22,-0.2 0.761 75.6 136.8 59.9 29.9 37.1 35.9 18.3 36 36 A Q - 0 0 115 -4,-0.1 -4,-2.4 1,-0.1 -1,-0.2 -0.868 61.8 -95.7-107.9 141.3 37.9 39.0 20.4 37 37 A R B -I 31 0B 113 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.216 34.6-140.1 -58.5 140.7 36.5 39.4 23.9 38 38 A I - 0 0 28 -8,-2.8 -8,-0.4 1,-0.1 -1,-0.1 -0.755 5.6-152.4 -99.8 146.8 33.3 41.5 24.3 39 39 A H S S+ 0 0 182 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.744 77.9 76.1 -90.5 -25.8 32.8 43.9 27.2 40 40 A D > - 0 0 87 1,-0.1 3,-1.3 2,-0.0 -1,-0.1 -0.769 53.8-174.8 -93.9 106.8 29.0 43.7 27.3 41 41 A F T 3 S+ 0 0 20 -2,-0.8 -22,-0.2 1,-0.3 -1,-0.1 0.538 84.2 62.9 -74.8 -5.6 27.7 40.5 28.9 42 42 A D T 3 S+ 0 0 88 -24,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.328 76.8 129.7 -99.4 6.4 24.1 41.5 27.9 43 43 A A < - 0 0 11 -3,-1.3 2,-0.2 1,-0.1 7,-0.1 -0.243 68.1 -98.9 -62.9 147.9 24.9 41.4 24.2 44 44 A V - 0 0 70 1,-0.1 8,-2.7 5,-0.1 -1,-0.1 -0.449 44.3-106.3 -70.0 136.3 22.6 39.5 21.9 45 45 A S B > > -l 52 0D 15 6,-0.2 5,-2.6 -2,-0.2 3,-2.1 -0.263 14.6-125.3 -64.0 148.5 23.8 36.0 21.0 46 46 A G G > 5S+ 0 0 3 6,-3.4 3,-0.6 1,-0.3 7,-0.1 0.654 116.0 57.6 -65.9 -15.3 25.2 35.3 17.5 47 47 A b G 3 5S+ 0 0 39 5,-0.4 -1,-0.3 1,-0.2 85,-0.1 0.345 103.1 52.6 -95.9 5.6 22.6 32.5 17.5 48 48 A E G < 5S- 0 0 153 -3,-2.1 -1,-0.2 4,-0.1 -2,-0.2 -0.044 132.3 -89.6-123.9 22.6 19.8 35.1 18.1 49 49 A G T < 5S+ 0 0 79 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.722 95.3 115.8 75.0 21.8 20.9 37.3 15.1 50 50 A G S - 0 0 0 -26,-0.4 3,-1.7 -2,-0.2 -1,-0.1 -0.514 12.9-140.0 -71.3 132.2 35.3 32.6 22.2 56 56 A A T 3 S+ 0 0 4 1,-0.3 -1,-0.1 -2,-0.3 109,-0.1 0.774 99.6 66.7 -62.7 -27.0 37.8 30.3 20.4 57 57 A D T 3 S+ 0 0 49 1,-0.2 2,-1.1 -22,-0.2 -1,-0.3 0.541 77.0 84.8 -74.1 -4.3 40.0 30.2 23.4 58 58 A H S < S+ 0 0 1 -3,-1.7 -1,-0.2 137,-0.1 13,-0.2 -0.386 72.4 123.1 -91.0 53.6 37.2 28.3 25.2 59 59 A S - 0 0 8 -2,-1.1 64,-0.1 11,-0.1 2,-0.1 -0.795 67.8-103.7-113.5 157.4 38.7 25.2 23.6 60 60 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.437 41.1 176.5 -78.7 154.9 40.1 22.0 25.2 61 61 A W E -C 69 0A 57 8,-2.4 8,-2.4 -2,-0.1 2,-0.3 -0.988 30.8-102.8-157.1 152.9 43.8 21.4 25.4 62 62 A A E -C 68 0A 49 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.607 21.6-178.2 -83.2 134.5 46.3 18.8 26.8 63 63 A I E S- 0 0 69 4,-3.5 2,-0.3 1,-0.5 5,-0.2 0.852 76.1 -28.2 -90.3 -46.4 48.1 19.5 30.1 64 64 A N E > S-C 67 0A 74 3,-2.0 3,-0.6 108,-0.0 -1,-0.5 -0.878 83.9 -72.5-154.1-179.5 50.0 16.2 29.9 65 65 A D T 3 S+ 0 0 131 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.728 132.3 36.2 -56.3 -23.1 49.5 12.7 28.4 66 66 A N T 3 S+ 0 0 108 1,-0.1 36,-3.1 35,-0.1 2,-0.4 0.597 115.4 52.1-105.3 -15.5 46.9 11.9 31.1 67 67 A L E < +Cd 64 102A 35 -3,-0.6 -4,-3.5 34,-0.2 -3,-2.0 -0.979 48.9 174.1-136.9 139.3 45.1 15.3 31.6 68 68 A S E -Cd 62 103A 0 34,-1.3 36,-2.3 -2,-0.4 2,-0.4 -0.928 21.2-138.7-132.9 156.3 43.4 18.0 29.6 69 69 A Y E +Cd 61 104A 37 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.3 -0.883 38.7 139.7-112.0 147.1 41.5 21.1 30.5 70 70 A G E - d 0 105A 0 34,-2.2 36,-2.2 -2,-0.4 2,-0.3 -0.910 39.7-106.5-165.1-167.7 38.3 22.1 28.7 71 71 A F E + d 0 106A 0 51,-0.3 51,-2.7 34,-0.3 2,-0.3 -0.902 26.9 179.7-136.5 161.4 34.8 23.4 28.6 72 72 A A E -Ed 121 107A 0 34,-1.5 36,-2.1 -2,-0.3 37,-1.2 -0.994 35.2-115.6-161.0 160.6 31.3 22.0 28.1 73 73 A A E -Ed 120 109A 5 47,-2.8 47,-3.2 -2,-0.3 2,-0.3 -0.917 50.6-162.8 -98.0 121.9 27.6 22.6 27.9 74 74 A T E -Ed 119 110A 0 35,-2.5 37,-1.2 -2,-0.6 2,-0.3 -0.813 28.9-178.5-118.3 155.5 26.2 20.7 30.9 75 75 A A E -E 118 0A 3 43,-1.7 43,-2.9 -2,-0.3 2,-0.4 -0.949 14.7-163.5-146.0 120.1 23.0 19.3 32.3 76 76 A L > - 0 0 9 -2,-0.3 3,-2.4 41,-0.2 41,-0.3 -0.924 34.5 -94.5-113.2 135.7 22.9 17.6 35.6 77 77 A S T 3 S- 0 0 62 -2,-0.4 3,-0.1 1,-0.3 40,-0.1 -0.174 104.8 -7.4 -50.3 118.2 20.0 15.4 36.8 78 78 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 38,-0.1 2,-0.2 0.685 112.6 109.7 68.9 20.0 17.5 17.3 38.9 79 79 A Q < - 0 0 88 -3,-2.4 2,-0.3 3,-0.0 -1,-0.2 -0.726 55.5-137.2-120.2 171.7 19.7 20.5 39.0 80 80 A T >> - 0 0 92 -2,-0.2 3,-2.2 -3,-0.1 4,-0.6 -0.820 34.3 -97.4-125.7 166.1 19.6 24.0 37.5 81 81 A E H >> S+ 0 0 50 1,-0.3 4,-3.2 -2,-0.3 3,-1.5 0.827 116.2 69.9 -50.1 -39.2 22.1 26.3 35.8 82 82 A E H 34 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.2 -61,-0.0 0.796 101.6 46.4 -51.8 -29.9 22.6 28.2 39.1 83 83 A S H <4 S+ 0 0 36 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.608 123.6 29.0 -91.7 -11.9 24.4 25.1 40.4 84 84 A W H X< S+ 0 0 12 -3,-1.5 3,-2.4 -4,-0.6 23,-0.4 0.624 79.0 120.3-121.9 -17.4 26.7 24.4 37.5 85 85 A c T 3< S- 0 0 2 -4,-3.2 23,-0.2 -64,-0.4 3,-0.1 -0.283 98.3 -7.5 -55.5 122.5 27.4 27.7 35.7 86 86 A e T 3 S+ 0 0 1 21,-3.0 114,-0.4 1,-0.3 -1,-0.3 0.463 101.9 134.9 69.8 3.5 31.2 28.2 35.8 87 87 A A < - 0 0 0 -3,-2.4 20,-2.8 20,-0.2 2,-0.4 -0.542 48.6-135.8 -79.5 149.3 31.6 25.2 38.1 88 88 A f E -FG 106 186A 0 98,-0.7 98,-2.2 18,-0.2 2,-0.4 -0.848 16.9-167.2-109.9 146.1 34.4 22.8 37.2 89 89 A Y E -FG 105 185A 9 16,-2.4 16,-2.4 -2,-0.4 2,-0.6 -0.989 19.0-135.0-132.7 139.6 34.3 19.0 37.2 90 90 A A E -FG 104 184A 25 94,-2.8 94,-1.2 -2,-0.4 2,-0.4 -0.844 27.1-163.1 -93.7 119.0 37.0 16.4 37.0 91 91 A L E -FG 103 183A 0 12,-2.9 12,-2.0 -2,-0.6 2,-0.5 -0.874 11.3-166.4-106.5 136.2 36.0 13.7 34.5 92 92 A T E -FG 102 182A 51 90,-2.4 90,-1.9 -2,-0.4 10,-0.2 -0.952 25.6-129.4-121.9 109.0 37.6 10.3 34.3 93 93 A F E - 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0 0 25 -37,-1.2 -37,-0.1 -2,-0.4 7,-0.0 -0.489 21.1-122.1 -91.1 166.5 22.6 21.3 27.4 112 112 A G S S+ 0 0 86 -2,-0.2 2,-0.3 -39,-0.1 -1,-0.1 0.183 71.4 113.8 -96.9 19.5 19.0 20.4 26.6 113 113 A D - 0 0 70 5,-0.1 2,-0.3 3,-0.0 3,-0.2 -0.674 47.9-159.9 -90.6 141.8 19.0 16.9 28.2 114 114 A L + 0 0 157 -2,-0.3 -37,-0.1 1,-0.2 3,-0.1 -0.921 66.7 21.7-121.8 150.1 16.8 16.3 31.2 115 115 A G S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.756 108.3 82.5 70.8 25.4 17.0 13.5 33.8 116 116 A S S S- 0 0 25 -3,-0.2 2,-0.8 2,-0.1 -1,-0.2 -0.966 80.5-115.0-152.9 166.3 20.7 12.8 33.1 117 117 A N + 0 0 35 -2,-0.3 -113,-2.2 -41,-0.3 2,-0.5 -0.899 50.3 169.0-105.3 98.9 24.3 13.9 33.8 118 118 A H E -bE 4 75A 35 -43,-2.9 -43,-1.7 -2,-0.8 2,-0.6 -0.960 23.7-169.6-122.6 128.4 25.3 15.0 30.3 119 119 A F E -bE 5 74A 0 -115,-2.4 -113,-1.7 -2,-0.5 2,-1.0 -0.948 5.1-165.1-116.0 110.7 28.5 16.9 29.3 120 120 A D E -bE 6 73A 34 -47,-3.2 -47,-2.8 -2,-0.6 -113,-0.3 -0.836 27.0-138.6 -94.9 100.0 28.5 18.2 25.7 121 121 A L E -bE 7 72A 1 -115,-2.4 -113,-2.4 -2,-1.0 2,-0.6 -0.360 11.1-116.7 -66.4 133.4 32.2 19.0 25.3 122 122 A N E +b 8 0A 5 -51,-2.7 -51,-0.3 -115,-0.2 -113,-0.2 -0.569 50.1 157.6 -67.9 114.4 33.3 22.2 23.5 123 123 A I > - 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