==== 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 16-FEB-00 1EGN . COMPND 2 MOLECULE: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE CEL7A; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR J.STAHLBERG,M.HARRIS,T.A.JONES . 434 1 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 7.8 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 0 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 0 PARALLEL BRIDGES PER LADDER . 5 5 3 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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, 0.0 161,-1.7 0, 0.0 162,-1.5 0.000 360.0 360.0 360.0 152.3 38.2 58.2 66.3 2 2 A S E -a 72 0A 30 69,-1.8 71,-2.4 66,-0.4 2,-0.4 -0.403 360.0-105.8 -99.9-178.0 40.4 61.0 64.9 3 3 A A E -a 73 0A 39 69,-0.3 2,-0.3 -2,-0.1 71,-0.2 -0.918 26.5-162.6-115.8 140.8 40.0 64.7 65.6 4 4 A a - 0 0 15 69,-2.8 71,-0.3 -2,-0.4 3,-0.2 -0.829 12.0-149.8-116.3 158.7 38.7 67.3 63.2 5 5 A T + 0 0 115 -2,-0.3 3,-0.1 69,-0.2 69,-0.1 -0.024 58.6 117.8-120.6 31.3 39.1 71.1 63.3 6 6 A L S S+ 0 0 106 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.803 93.2 33.8 -64.7 -24.1 36.0 72.6 61.7 7 7 A Q S S- 0 0 64 -3,-0.2 68,-1.1 2,-0.0 -1,-0.2 -0.997 98.0-120.0-132.3 125.5 35.6 74.0 65.2 8 8 A S - 0 0 91 -2,-0.4 2,-0.6 67,-0.2 68,-0.2 -0.248 16.7-136.8 -65.5 151.8 38.6 75.0 67.3 9 9 A E + 0 0 23 66,-0.2 2,-0.5 68,-0.1 68,-0.1 -0.925 28.9 166.6-115.5 106.0 39.3 73.4 70.7 10 10 A T - 0 0 106 -2,-0.6 68,-0.2 66,-0.5 -2,-0.0 -0.933 28.6-141.1-122.4 104.9 40.4 75.8 73.4 11 11 A H - 0 0 8 -2,-0.5 22,-0.2 1,-0.1 -2,-0.0 -0.484 23.8-115.5 -68.6 123.2 40.2 74.3 76.9 12 12 A P - 0 0 14 0, 0.0 20,-2.0 0, 0.0 -1,-0.1 -0.385 37.7-116.8 -59.4 125.9 39.0 76.8 79.5 13 13 A P E -D 31 0B 83 0, 0.0 18,-0.3 0, 0.0 2,-0.3 -0.261 35.0-178.7 -64.5 153.1 41.9 77.5 81.9 14 14 A L E -D 30 0B 1 16,-2.0 16,-2.2 97,-0.1 2,-0.2 -0.895 10.8-154.7-156.0 122.1 41.6 76.5 85.5 15 15 A T E +D 29 0B 20 73,-2.0 406,-0.4 -2,-0.3 2,-0.3 -0.635 14.7 176.6 -97.3 157.1 44.1 76.9 88.3 16 16 A W E -D 28 0B 10 12,-1.8 12,-3.4 -2,-0.2 2,-0.4 -0.957 28.0-106.2-150.8 165.1 44.4 74.9 91.5 17 17 A Q E -De 27 422B 13 404,-2.8 406,-2.8 -2,-0.3 2,-0.6 -0.839 15.5-161.9-105.6 134.9 46.6 74.7 94.5 18 18 A K E -De 26 423B 93 8,-2.5 8,-2.8 -2,-0.4 2,-0.3 -0.966 22.3-163.6-110.1 116.3 49.2 72.0 95.2 19 19 A b E -D 25 0B 3 404,-3.1 2,-0.3 -2,-0.6 6,-0.3 -0.695 5.4-147.7-104.3 156.8 50.1 72.1 99.0 20 20 A S > - 0 0 48 4,-2.8 3,-1.9 -2,-0.3 4,-0.1 -0.828 28.2-114.7-121.1 160.0 53.0 70.7 100.8 21 21 A S T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 403,-0.0 0.755 109.2 75.4 -62.8 -22.8 53.5 69.3 104.4 22 22 A G T 3 S- 0 0 70 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.585 118.8-102.3 -66.3 -11.3 55.8 72.2 105.0 23 23 A G S < S+ 0 0 22 -3,-1.9 2,-0.3 1,-0.4 -2,-0.1 0.489 85.7 100.9 105.8 1.5 52.9 74.5 105.2 24 24 A T - 0 0 86 -4,-0.1 -4,-2.8 407,-0.1 -1,-0.4 -0.809 50.8-151.6-119.0 162.7 52.8 76.3 101.9 25 25 A b E -D 19 0B 7 407,-0.7 2,-0.4 -2,-0.3 -6,-0.3 -0.955 6.6-154.6-130.3 147.6 50.8 75.9 98.7 26 26 A T E -D 18 0B 83 -8,-2.8 -8,-2.5 -2,-0.3 2,-0.2 -0.984 23.7-112.7-127.2 136.0 51.8 76.7 95.1 27 27 A Q E -D 17 0B 98 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.427 28.6-163.1 -70.2 136.7 49.4 77.6 92.2 28 28 A Q E -D 16 0B 65 -12,-3.4 -12,-1.8 -2,-0.2 2,-0.5 -0.864 9.8-140.5-115.1 150.6 49.2 75.1 89.4 29 29 A T E +D 15 0B 102 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.954 37.7 136.6-120.3 119.8 47.7 75.9 85.9 30 30 A G E -D 14 0B 9 -16,-2.2 -16,-2.0 -2,-0.5 2,-0.3 -0.442 32.8-138.9-132.1-153.1 45.6 73.5 84.1 31 31 A S E -DF 13 111B 8 80,-0.7 80,-3.5 -18,-0.3 2,-0.4 -0.950 16.5-109.8-164.1 174.8 42.4 73.6 82.1 32 32 A V E - F 0 110B 0 -20,-2.0 2,-0.4 -2,-0.3 78,-0.2 -0.927 21.2-164.8-122.1 147.6 39.2 71.6 81.5 33 33 A V E - F 0 109B 0 76,-1.8 76,-2.1 -2,-0.4 2,-0.3 -0.982 21.4-121.6-129.7 140.8 38.1 69.5 78.5 34 34 A I E - F 0 108B 0 -2,-0.4 74,-0.2 74,-0.2 5,-0.1 -0.588 36.6 -97.9 -85.2 143.3 34.6 68.2 77.8 35 35 A D > - 0 0 4 72,-2.6 3,-1.8 -2,-0.3 4,-0.4 -0.253 31.3-115.8 -58.0 142.0 33.9 64.5 77.3 36 36 A A G > S+ 0 0 10 132,-2.2 3,-1.4 1,-0.3 38,-0.1 0.740 107.7 70.8 -50.2 -32.3 33.8 63.2 73.7 37 37 A N G 3 S+ 0 0 20 131,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.773 95.3 53.5 -61.3 -26.5 30.1 62.2 74.0 38 38 A W G < S+ 0 0 63 -3,-1.8 -1,-0.3 69,-0.1 -2,-0.2 0.613 96.2 93.0 -82.8 -13.0 29.0 65.8 74.1 39 39 A R S < S- 0 0 7 -3,-1.4 2,-0.4 -4,-0.4 36,-0.1 -0.257 85.8-100.0 -80.9 166.8 30.9 66.6 70.9 40 40 A W - 0 0 74 35,-0.3 34,-1.6 34,-0.1 2,-0.6 -0.732 34.5-157.4 -85.2 127.6 29.8 66.6 67.3 41 41 A T E +B 73 0A 2 -2,-0.4 9,-2.8 10,-0.4 10,-1.2 -0.954 27.3 152.7-111.6 116.1 31.0 63.4 65.5 42 42 A H E -BC 72 49A 2 30,-1.8 30,-2.5 -2,-0.6 7,-0.2 -0.840 48.0 -66.6-138.3 174.0 31.2 63.7 61.8 43 43 A A E > -B 71 0A 2 5,-2.8 3,-1.1 -2,-0.3 28,-0.2 -0.310 43.1-124.7 -61.3 143.0 33.0 62.3 58.7 44 44 A T T 3 S+ 0 0 65 26,-2.2 -1,-0.1 1,-0.2 27,-0.1 0.773 109.0 35.6 -61.1 -26.8 36.7 63.1 58.5 45 45 A N T 3 S+ 0 0 142 25,-0.3 2,-0.3 3,-0.1 -1,-0.2 0.243 123.7 22.8-113.9 12.8 36.3 64.7 55.1 46 46 A S S < S- 0 0 45 -3,-1.1 -4,-0.0 2,-0.2 0, 0.0 -0.940 80.0-100.6-160.5 179.8 32.9 66.4 55.3 47 47 A S S S+ 0 0 75 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 0.292 72.9 130.3 -94.0 8.5 30.3 67.8 57.7 48 48 A T - 0 0 80 1,-0.1 -5,-2.8 -6,-0.1 -2,-0.2 -0.483 61.5-119.7 -67.2 124.4 28.1 64.7 57.4 49 49 A N B -C 42 0A 57 -2,-0.3 -7,-0.3 -7,-0.2 11,-0.2 -0.350 20.9-166.9 -66.6 140.6 27.2 63.4 60.9 50 50 A c S S+ 0 0 1 -9,-2.8 7,-2.9 1,-0.4 2,-0.4 0.672 87.6 27.0 -94.3 -24.8 28.3 59.9 62.0 51 51 A Y E S+T 56 0C 13 -10,-1.2 -10,-0.4 5,-0.2 -1,-0.4 -0.999 71.2 167.1-137.4 134.8 25.9 60.2 64.9 52 52 A D E > -T 55 0C 109 3,-2.2 3,-1.9 -2,-0.4 2,-0.7 -0.970 64.5 -19.6-151.0 134.9 22.7 62.3 65.0 53 53 A G T 3 S- 0 0 28 -2,-0.3 -2,-0.0 1,-0.2 3,-0.0 -0.600 125.7 -41.9 68.7-113.8 19.9 62.3 67.5 54 54 A N T 3 S+ 0 0 36 -2,-0.7 2,-0.3 2,-0.1 -1,-0.2 0.019 119.6 83.7-136.7 29.4 20.4 58.8 69.0 55 55 A T E < -T 52 0C 87 -3,-1.9 -3,-2.2 139,-0.1 2,-0.2 -0.956 68.0-124.7-133.5 151.7 21.2 56.8 65.9 56 56 A W E -T 51 0C 19 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.623 32.7 -98.7 -95.4 155.6 24.4 56.1 63.9 57 57 A S > - 0 0 26 -7,-2.9 4,-2.2 -2,-0.2 -1,-0.1 -0.580 29.0-154.6 -69.4 118.4 25.0 56.6 60.2 58 58 A S T 4 S+ 0 0 99 -2,-0.5 -1,-0.2 2,-0.2 -8,-0.0 0.759 91.9 45.3 -69.1 -23.1 24.5 53.1 58.7 59 59 A T T 4 S+ 0 0 115 2,-0.1 -1,-0.2 1,-0.1 -9,-0.1 0.908 120.2 35.2 -85.9 -47.9 26.8 54.0 55.8 60 60 A L T 4 S+ 0 0 34 1,-0.2 10,-0.3 -11,-0.2 -2,-0.2 0.801 129.5 37.4 -75.9 -27.8 29.7 55.7 57.6 61 61 A d < + 0 0 3 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.1 -0.491 61.5 144.3-125.8 63.6 29.4 53.4 60.6 62 62 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.714 82.1 0.8 -69.9 -22.3 28.5 49.8 59.4 63 63 A D S > S- 0 0 48 -3,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.950 85.2 -95.0-156.6 167.9 30.6 48.4 62.2 64 64 A N H > S+ 0 0 5 -2,-0.3 123,-1.8 1,-0.2 4,-1.8 0.883 119.3 45.4 -60.2 -42.2 32.8 49.7 65.1 65 65 A E H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.950 114.3 46.0 -67.5 -50.7 36.1 49.6 63.2 66 66 A T H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 110.9 55.6 -59.6 -38.7 34.9 51.2 60.0 67 67 A d H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.929 106.8 47.7 -60.5 -48.4 33.1 53.9 62.0 68 68 A A H < S+ 0 0 7 -4,-1.8 -66,-0.4 1,-0.2 -1,-0.2 0.817 111.8 52.0 -64.0 -30.9 36.2 55.0 63.9 69 69 A K H < S+ 0 0 156 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.3 38.1 -73.1 -39.2 38.1 55.1 60.7 70 70 A N H < S+ 0 0 54 -4,-2.2 -26,-2.2 -10,-0.3 2,-0.3 0.639 111.2 71.7 -86.4 -14.6 35.6 57.3 58.9 71 71 A c E < - B 0 43A 0 -4,-1.8 -69,-1.8 -28,-0.2 2,-0.3 -0.747 51.6-176.2-114.3 155.4 34.7 59.5 61.9 72 72 A a E -aB 2 42A 0 -30,-2.5 -30,-1.8 -2,-0.3 2,-0.4 -0.936 24.8-123.9-139.2 160.0 36.2 62.3 64.0 73 73 A L E -aB 3 41A 0 -71,-2.4 -69,-2.8 -2,-0.3 -32,-0.2 -0.824 32.6-152.8-100.9 141.9 35.4 64.3 67.1 74 74 A D - 0 0 0 -34,-1.6 -69,-0.2 -2,-0.4 -34,-0.1 -0.591 23.9 -74.5-113.2 177.0 35.4 68.1 66.6 75 75 A G - 0 0 1 -68,-1.1 2,-0.4 -71,-0.3 -35,-0.3 -0.130 40.6-130.1 -67.0 164.3 36.0 71.1 68.8 76 76 A A - 0 0 4 -68,-0.2 2,-1.3 -37,-0.1 -66,-0.5 -0.943 6.8-141.9-122.5 137.8 33.6 72.5 71.4 77 77 A A >> - 0 0 24 -2,-0.4 4,-2.2 1,-0.2 5,-1.4 -0.791 27.0-166.0 -92.9 90.9 32.4 76.1 72.0 78 78 A Y T 45S+ 0 0 12 -2,-1.3 6,-2.9 -68,-0.2 4,-0.3 0.854 75.8 31.5 -49.6 -48.5 32.5 75.8 75.8 79 79 A A T >5S+ 0 0 57 4,-0.3 4,-1.2 3,-0.2 -1,-0.2 0.969 124.6 38.4 -78.6 -56.1 30.4 78.8 76.7 80 80 A S T 45S+ 0 0 79 2,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.816 130.5 26.3 -68.0 -33.1 27.9 79.3 73.9 81 81 A T T <5S+ 0 0 29 -4,-2.2 -3,-0.2 3,-0.1 16,-0.2 0.868 135.4 24.3 -97.1 -43.6 27.2 75.6 73.3 82 82 A Y T 4 -G 90 0B 95 3,-2.2 3,-2.0 -2,-0.3 2,-0.4 -0.817 65.7 -53.6-152.7 106.0 37.6 82.3 85.9 88 88 A G T 3 S- 0 0 49 -2,-0.3 -73,-2.0 1,-0.3 -1,-0.0 -0.465 127.0 -9.6 64.2-115.7 40.8 81.8 87.8 89 89 A N T 3 S+ 0 0 63 -2,-0.4 331,-0.7 -75,-0.2 332,-0.5 0.256 118.6 96.6 -98.1 11.7 40.2 78.8 90.2 90 90 A S E < -GH 87 419B 28 -3,-2.0 -3,-2.2 329,-0.2 2,-0.4 -0.837 49.2-170.2-110.6 142.6 36.5 78.7 89.5 91 91 A L E -GH 86 418B 0 327,-3.2 327,-2.5 -2,-0.4 2,-0.4 -0.996 4.3-169.5-129.0 128.8 34.4 76.5 87.2 92 92 A S E -GH 85 417B 27 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.4 -0.952 3.7-169.9-121.5 139.5 30.7 77.0 86.4 93 93 A I E -GH 84 416B 0 323,-2.3 323,-1.7 -2,-0.4 2,-0.2 -0.984 12.8-147.9-129.5 119.6 28.4 74.6 84.5 94 94 A D E - H 0 415B 59 -11,-2.2 11,-0.3 -2,-0.4 321,-0.2 -0.591 11.8-136.5 -84.4 150.1 24.9 75.6 83.4 95 95 A F S S+ 0 0 0 319,-2.9 10,-3.3 317,-0.3 2,-0.5 0.986 85.8 18.7 -70.7 -61.7 22.2 73.0 83.2 96 96 A V E -U 104 0D 14 316,-2.2 2,-0.5 318,-0.3 -1,-0.2 -0.958 67.0-174.3-118.2 126.6 20.4 73.8 80.0 97 97 A T E -U 103 0D 16 6,-2.4 6,-2.3 -2,-0.5 2,-0.6 -0.977 10.0-154.9-121.6 123.4 22.1 75.9 77.2 98 98 A Q E +U 102 0D 132 -2,-0.5 4,-0.2 4,-0.2 2,-0.1 -0.869 36.0 131.3-101.9 118.7 20.2 76.9 74.1 99 99 A S S S- 0 0 52 2,-2.5 -18,-0.1 -2,-0.6 3,-0.0 -0.115 88.1 -33.0-129.3-130.9 22.2 77.6 71.0 100 100 A A S S+ 0 0 109 -2,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.812 140.1 8.6 -64.9 -26.4 21.5 76.3 67.5 101 101 A Q S S- 0 0 140 -4,-0.1 -2,-2.5 -20,-0.0 2,-0.4 -0.877 94.6 -84.4-143.8 174.1 20.3 73.3 69.6 102 102 A K E -U 98 0D 87 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.725 37.2-171.1 -90.6 129.8 19.6 72.3 73.2 103 103 A N E -U 97 0D 19 -6,-2.3 -6,-2.4 -2,-0.4 2,-0.5 -0.953 8.3-155.2-120.1 140.1 22.5 71.0 75.4 104 104 A V E -U 96 0D 34 -2,-0.4 -8,-0.2 -8,-0.2 -9,-0.1 -0.954 50.2 -56.0-119.2 116.5 22.1 69.5 78.9 105 105 A G - 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