==== 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 24-SEP-97 7CEL . COMPND 2 MOLECULE: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR C.DIVNE,J.STAHLBERG,T.A.JONES . 434 1 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 62.0 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 . 27 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 8.5 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 1 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,-1.8 0, 0.0 162,-1.6 0.000 360.0 360.0 360.0 152.0 38.5 58.9 67.2 2 2 A S E -a 72 0A 29 69,-1.7 71,-2.5 66,-0.4 2,-0.4 -0.399 360.0-109.3 -96.9-179.7 40.7 61.5 65.6 3 3 A A E -a 73 0A 39 69,-0.3 2,-0.3 -2,-0.1 71,-0.2 -0.927 27.7-165.4-115.7 137.6 40.5 65.2 66.3 4 4 A a - 0 0 17 69,-3.0 71,-0.2 -2,-0.4 3,-0.1 -0.760 13.0-148.0-114.4 166.8 39.3 67.8 63.8 5 5 A T + 0 0 117 -2,-0.3 3,-0.1 69,-0.1 69,-0.1 -0.099 57.3 118.2-130.8 38.2 39.7 71.6 63.9 6 6 A L S S+ 0 0 108 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.813 91.8 33.0 -69.8 -29.1 36.7 73.2 62.3 7 7 A Q S S- 0 0 90 -3,-0.1 68,-1.1 2,-0.0 -1,-0.2 -0.993 98.6-115.6-127.8 130.5 36.1 74.8 65.8 8 8 A S - 0 0 97 -2,-0.4 2,-0.7 67,-0.1 68,-0.1 -0.388 17.7-138.7 -68.1 144.7 39.1 75.7 68.0 9 9 A E + 0 0 17 66,-0.2 2,-0.6 -2,-0.1 68,-0.1 -0.903 28.3 169.9-107.8 102.8 39.6 73.9 71.3 10 10 A T - 0 0 103 -2,-0.7 68,-0.2 66,-0.5 -2,-0.0 -0.940 26.0-141.4-118.4 108.1 40.6 76.4 74.0 11 11 A H - 0 0 14 -2,-0.6 22,-0.2 1,-0.1 -2,-0.0 -0.514 21.7-118.4 -71.4 124.0 40.6 74.9 77.5 12 12 A P - 0 0 17 0, 0.0 20,-2.1 0, 0.0 -1,-0.1 -0.438 35.3-117.3 -63.0 129.7 39.4 77.4 80.2 13 13 A P E -D 31 0B 82 0, 0.0 18,-0.3 0, 0.0 2,-0.3 -0.326 33.9-179.2 -68.7 151.6 42.2 78.1 82.7 14 14 A L E -D 30 0B 1 16,-2.1 16,-2.4 72,-0.1 2,-0.2 -0.920 12.1-151.9-154.7 123.3 41.8 77.1 86.3 15 15 A T E +D 29 0B 24 73,-2.0 406,-0.4 -2,-0.3 2,-0.3 -0.619 17.5 171.1 -96.2 156.4 44.3 77.6 89.2 16 16 A W E -D 28 0B 8 12,-1.7 12,-3.2 -2,-0.2 2,-0.4 -0.920 28.1-109.1-150.6 171.8 44.6 75.5 92.3 17 17 A Q E -De 27 422B 16 404,-2.4 406,-2.2 -2,-0.3 2,-0.5 -0.912 12.9-159.8-117.5 139.6 47.0 75.1 95.2 18 18 A K E -De 26 423B 98 8,-2.6 8,-2.8 -2,-0.4 2,-0.2 -0.976 21.1-163.5-113.8 122.4 49.5 72.4 96.1 19 19 A b E -D 25 0B 7 404,-3.0 2,-0.3 -2,-0.5 6,-0.2 -0.684 4.1-147.2-107.4 159.8 50.5 72.5 99.8 20 20 A S > - 0 0 49 4,-2.2 3,-2.1 -2,-0.2 4,-0.3 -0.859 30.1-110.9-124.8 161.5 53.3 70.9 101.7 21 21 A S T 3 S+ 0 0 111 -2,-0.3 -1,-0.1 1,-0.3 403,-0.0 0.750 111.7 73.0 -59.8 -23.8 53.9 69.5 105.1 22 22 A G T 3 S- 0 0 67 2,-0.1 -1,-0.3 1,-0.1 406,-0.0 0.519 118.8-103.7 -70.0 -8.9 56.2 72.5 105.7 23 23 A G S < S+ 0 0 26 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.616 82.8 107.6 98.8 13.9 53.1 74.8 105.9 24 24 A T - 0 0 90 -4,-0.3 -4,-2.2 407,-0.1 2,-0.4 -0.915 47.7-154.5-126.2 152.1 53.1 76.6 102.6 25 25 A b E -D 19 0B 3 407,-0.9 2,-0.4 -2,-0.3 409,-0.3 -0.966 8.1-158.7-124.3 142.7 50.9 76.3 99.5 26 26 A T E -D 18 0B 78 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.2 -0.949 23.5-109.6-123.9 142.6 51.9 77.2 96.0 27 27 A Q E -D 17 0B 106 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.434 29.1-166.3 -71.5 138.5 49.7 78.1 93.0 28 28 A Q E -D 16 0B 58 -12,-3.2 -12,-1.7 -2,-0.2 2,-0.5 -0.887 12.2-139.9-119.5 149.2 49.4 75.6 90.1 29 29 A T E +D 15 0B 100 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.966 36.1 143.9-118.6 121.5 48.0 76.5 86.8 30 30 A G E -D 14 0B 9 -16,-2.4 -16,-2.1 -2,-0.5 2,-0.3 -0.507 29.5-140.8-129.7-157.4 45.8 74.0 85.0 31 31 A S E -DF 13 111B 13 80,-0.8 80,-3.2 -18,-0.3 2,-0.4 -0.951 15.5-112.4-162.0 171.5 42.7 74.1 82.8 32 32 A V E - F 0 110B 0 -20,-2.1 2,-0.4 -2,-0.3 78,-0.2 -0.925 19.0-164.6-122.1 148.5 39.5 72.2 82.2 33 33 A V E - F 0 109B 0 76,-1.7 76,-2.1 -2,-0.4 2,-0.2 -0.978 20.8-123.1-129.3 139.6 38.3 70.1 79.2 34 34 A I E - F 0 108B 0 -2,-0.4 74,-0.2 74,-0.2 5,-0.1 -0.587 37.0 -97.6 -84.1 144.4 34.7 68.9 78.4 35 35 A D > - 0 0 4 72,-2.4 3,-1.6 -2,-0.2 4,-0.3 -0.246 31.8-114.6 -58.9 146.2 34.0 65.2 78.0 36 36 A A G > S+ 0 0 9 132,-2.2 3,-1.4 1,-0.3 38,-0.1 0.743 108.1 70.3 -53.7 -32.2 33.9 63.8 74.4 37 37 A N G 3 S+ 0 0 28 1,-0.3 -1,-0.3 131,-0.2 4,-0.1 0.761 94.5 55.3 -60.2 -28.1 30.1 63.0 74.6 38 38 A W G < S+ 0 0 57 -3,-1.6 -1,-0.3 69,-0.1 -2,-0.2 0.598 95.8 95.3 -80.4 -12.8 29.2 66.7 74.6 39 39 A R S < S- 0 0 10 -3,-1.4 2,-0.4 -4,-0.3 36,-0.1 -0.260 83.6-100.9 -82.6 167.5 31.1 67.3 71.4 40 40 A W - 0 0 62 35,-0.3 34,-1.4 34,-0.1 2,-0.5 -0.684 35.9-162.0 -82.1 126.4 30.3 67.5 67.7 41 41 A T E +B 73 0A 4 -2,-0.4 9,-2.7 10,-0.4 10,-1.0 -0.982 24.1 154.3-115.6 118.2 31.4 64.2 66.1 42 42 A H E -BC 72 49A 2 30,-1.9 30,-2.6 -2,-0.5 7,-0.3 -0.872 47.3 -69.8-139.6 171.5 31.7 64.4 62.3 43 43 A A E > -B 71 0A 0 5,-2.7 3,-0.7 -2,-0.3 28,-0.2 -0.281 40.5-126.6 -60.1 144.9 33.4 62.9 59.2 44 44 A T T 3 S+ 0 0 67 26,-2.2 -1,-0.1 1,-0.2 27,-0.1 0.812 109.1 41.7 -64.1 -26.9 37.1 63.7 59.0 45 45 A N T 3 S+ 0 0 137 25,-0.3 2,-0.3 3,-0.1 -1,-0.2 0.394 123.2 14.1-102.9 -1.0 36.6 65.0 55.5 46 46 A S S < S- 0 0 48 -3,-0.7 -4,-0.0 2,-0.2 0, 0.0 -0.903 80.2 -96.4-156.2-176.5 33.4 67.0 55.8 47 47 A S S S+ 0 0 78 -2,-0.3 2,-0.3 -5,-0.1 -6,-0.1 0.241 74.2 130.0 -95.1 12.9 31.0 68.6 58.3 48 48 A T - 0 0 81 1,-0.1 -5,-2.7 -6,-0.1 -2,-0.2 -0.534 61.4-119.3 -71.9 125.4 28.6 65.6 58.1 49 49 A N B -C 42 0A 52 -2,-0.3 -7,-0.3 -7,-0.3 11,-0.1 -0.313 17.6-163.2 -65.2 143.6 27.7 64.3 61.6 50 50 A c S S+ 0 0 0 -9,-2.7 7,-2.8 1,-0.3 2,-0.4 0.625 87.8 30.6 -95.2 -22.6 28.6 60.8 62.6 51 51 A Y E S+T 56 0C 15 -10,-1.0 -10,-0.4 5,-0.2 2,-0.3 -0.998 70.6 169.5-137.7 136.2 26.1 61.0 65.4 52 52 A D E > -T 55 0C 108 3,-2.5 3,-2.2 -2,-0.4 2,-0.6 -0.977 62.5 -22.2-150.7 135.9 23.0 63.1 65.5 53 53 A G T 3 S- 0 0 32 -2,-0.3 -2,-0.0 1,-0.2 3,-0.0 -0.550 126.7 -37.1 64.5-114.4 20.1 63.2 67.9 54 54 A N T 3 S+ 0 0 35 -2,-0.6 2,-0.3 2,-0.1 -1,-0.2 0.053 121.2 79.0-130.7 28.1 20.4 59.8 69.5 55 55 A T E < -T 52 0C 73 -3,-2.2 -3,-2.5 139,-0.1 2,-0.2 -0.947 68.8-121.5-136.6 156.9 21.5 57.7 66.5 56 56 A W E -T 51 0C 24 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.596 36.0 -99.1 -94.7 155.1 24.6 57.0 64.5 57 57 A S > - 0 0 26 -7,-2.8 4,-2.2 -2,-0.2 -1,-0.1 -0.616 31.0-152.3 -71.6 119.4 25.2 57.5 60.8 58 58 A S T 4 S+ 0 0 100 -2,-0.5 -1,-0.2 1,-0.2 -8,-0.0 0.756 92.3 43.9 -68.0 -24.2 24.7 54.0 59.4 59 59 A T T 4 S+ 0 0 117 2,-0.1 -1,-0.2 1,-0.1 -9,-0.1 0.845 119.9 38.0 -88.1 -41.4 27.0 54.7 56.4 60 60 A L T 4 S+ 0 0 33 1,-0.2 10,-0.3 -11,-0.1 -2,-0.2 0.820 129.1 35.8 -77.8 -29.9 29.8 56.4 58.3 61 61 A d < + 0 0 3 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.1 -0.511 61.7 144.1-126.7 67.1 29.5 54.1 61.2 62 62 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.716 81.2 0.4 -74.1 -20.8 28.6 50.6 60.1 63 63 A D S > S- 0 0 51 -3,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.955 84.9 -91.2-157.7 169.6 30.7 49.1 62.9 64 64 A N H > S+ 0 0 5 -2,-0.3 123,-1.9 1,-0.2 4,-1.6 0.875 118.9 42.9 -56.7 -45.1 32.9 50.2 65.8 65 65 A E H > S+ 0 0 98 2,-0.2 4,-1.8 121,-0.2 -1,-0.2 0.945 114.2 46.4 -69.1 -53.4 36.2 50.3 63.9 66 66 A T H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 111.0 55.0 -57.0 -40.8 35.1 51.9 60.7 67 67 A d H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.936 107.2 49.2 -59.4 -46.2 33.3 54.6 62.7 68 68 A A H < S+ 0 0 3 -4,-1.6 -66,-0.4 1,-0.2 -1,-0.2 0.846 112.7 47.9 -63.4 -35.1 36.4 55.5 64.6 69 69 A K H < S+ 0 0 118 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 117.0 41.9 -74.2 -34.8 38.5 55.7 61.4 70 70 A N H < S+ 0 0 59 -4,-2.2 -26,-2.2 -10,-0.3 2,-0.3 0.705 109.4 69.0 -84.7 -21.8 35.9 57.9 59.6 71 71 A c E < - B 0 43A 0 -4,-2.0 -69,-1.7 -28,-0.2 2,-0.3 -0.773 52.1-177.4-112.6 150.9 35.0 60.2 62.6 72 72 A a E -aB 2 42A 0 -30,-2.6 -30,-1.9 -2,-0.3 2,-0.3 -0.912 24.5-123.0-135.8 158.2 36.7 62.9 64.6 73 73 A L E -aB 3 41A 0 -71,-2.5 -69,-3.0 -2,-0.3 2,-0.2 -0.714 30.6-152.6 -97.6 151.4 35.8 65.0 67.6 74 74 A D - 0 0 0 -34,-1.4 -34,-0.1 -2,-0.3 -69,-0.1 -0.673 23.3 -74.6-121.7 175.9 35.8 68.8 67.3 75 75 A G - 0 0 1 -68,-1.1 2,-0.4 -2,-0.2 -35,-0.3 -0.192 40.6-133.9 -65.9 163.2 36.3 71.9 69.5 76 76 A A - 0 0 7 -68,-0.1 2,-1.3 -37,-0.1 -66,-0.5 -0.941 9.9-136.9-126.2 139.5 33.8 73.2 72.0 77 77 A A >> - 0 0 45 -2,-0.4 4,-2.4 1,-0.2 5,-1.2 -0.762 28.8-168.0 -92.0 88.1 32.6 76.8 72.7 78 78 A Y H >5S+ 0 0 11 -2,-1.3 6,-2.3 -68,-0.2 4,-0.6 0.851 75.3 31.7 -45.1 -55.5 32.7 76.4 76.5 79 79 A A H >5S+ 0 0 58 4,-0.3 4,-1.2 3,-0.2 -1,-0.2 0.969 124.6 39.3 -73.4 -55.1 30.8 79.5 77.6 80 80 A S H 45S+ 0 0 79 2,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.787 130.1 25.6 -69.7 -31.1 28.3 80.0 74.8 81 81 A T H <5S+ 0 0 24 -4,-2.4 -3,-0.2 3,-0.1 16,-0.2 0.822 134.4 26.6-102.4 -36.8 27.4 76.4 74.2 82 82 A Y H < -G 90 0B 92 3,-2.4 3,-2.0 -2,-0.3 2,-0.4 -0.757 64.3 -53.5-159.0 104.7 37.8 82.9 86.9 88 88 A G T 3 S- 0 0 50 1,-0.3 -73,-2.0 -2,-0.2 -1,-0.1 -0.472 127.2 -10.1 64.9-115.9 41.0 82.5 88.8 89 89 A N T 3 S+ 0 0 62 -2,-0.4 331,-0.8 -75,-0.2 332,-0.4 0.209 119.9 96.8 -99.0 14.1 40.5 79.5 91.1 90 90 A S E < -GH 87 419B 28 -3,-2.0 -3,-2.4 329,-0.2 2,-0.4 -0.863 48.3-172.4-113.9 141.8 36.8 79.4 90.4 91 91 A L E -GH 86 418B 1 327,-3.0 327,-2.5 -2,-0.4 2,-0.4 -0.996 4.8-169.4-130.3 130.7 34.7 77.3 88.0 92 92 A S E -GH 85 417B 20 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.4 -0.955 3.6-167.8-122.6 139.7 31.0 77.7 87.3 93 93 A I E -GH 84 416B 0 323,-2.2 323,-1.8 -2,-0.4 2,-0.2 -0.994 13.4-145.5-127.7 122.3 28.7 75.3 85.4 94 94 A D E - H 0 415B 67 -11,-2.1 11,-0.4 -2,-0.4 321,-0.2 -0.620 10.5-137.4 -85.0 148.6 25.2 76.4 84.3 95 95 A F S S+ 0 0 0 319,-2.8 10,-2.8 317,-0.3 2,-0.5 0.981 85.5 18.4 -70.6 -60.5 22.4 73.8 84.2 96 96 A V E -U 104 0D 23 316,-2.0 2,-0.5 318,-0.3 -1,-0.3 -0.962 66.0-176.6-120.3 125.6 20.7 74.6 81.0 97 97 A T E -U 103 0D 18 6,-2.3 6,-2.8 -2,-0.5 2,-0.5 -0.983 11.3-154.3-121.2 129.1 22.3 76.6 78.2 98 98 A Q E +U 102 0D 136 -2,-0.5 4,-0.2 4,-0.2 2,-0.1 -0.912 38.4 123.7-106.2 121.4 20.4 77.5 75.0 99 99 A S S S- 0 0 52 2,-2.6 -18,-0.1 -2,-0.5 3,-0.1 -0.064 89.2 -27.1-137.2-118.9 22.3 78.2 71.8 100 100 A A S S+ 0 0 104 -2,-0.1 2,-0.2 1,-0.0 -2,-0.0 0.888 140.7 8.6 -70.4 -37.2 21.8 76.4 68.4 101 101 A Q S S- 0 0 92 -4,-0.1 -2,-2.6 -20,-0.1 2,-0.4 -0.733 93.9 -90.9-130.8 175.5 20.6 73.5 70.6 102 102 A K E -U 98 0D 84 -2,-0.2 2,-0.4 -4,-0.2 -4,-0.2 -0.813 38.2-163.9 -94.7 132.6 19.8 73.0 74.2 103 103 A N E -U 97 0D 13 -6,-2.8 -6,-2.3 -2,-0.4 2,-0.6 -0.954 7.2-156.1-119.5 140.0 22.6 71.8 76.5 104 104 A V E -U 96 0D 35 -2,-0.4 -8,-0.2 -8,-0.2 -9,-0.1 -0.931 52.0 -56.8-118.8 107.6 22.2 70.2 80.0 105 105 A G - 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