==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-07 2V3I . COMPND 2 MOLECULE: EXOGLUCANASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR A.FAGERSTROM,M.SANDGREN,U.BERG,J.STAHLBERG . 434 1 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 63.4 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 . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 8.8 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 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 . 7 1 1 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 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,-2.0 0, 0.0 162,-1.7 0.000 360.0 360.0 360.0 150.2 38.1 58.2 66.5 2 2 A S E -a 72 0A 31 69,-1.7 71,-2.6 66,-0.4 2,-0.4 -0.416 360.0-106.9 -93.0 179.9 40.3 61.0 65.0 3 3 A A E -a 73 0A 39 69,-0.3 2,-0.3 -2,-0.1 71,-0.2 -0.895 27.6-165.8-111.2 142.5 39.9 64.7 65.7 4 4 A a - 0 0 16 69,-2.7 71,-0.2 -2,-0.4 3,-0.1 -0.791 13.5-147.7-121.3 167.9 38.6 67.3 63.3 5 5 A T + 0 0 113 -2,-0.3 3,-0.1 69,-0.2 69,-0.1 -0.062 59.3 116.9-135.6 33.0 38.8 71.1 63.4 6 6 A L S S+ 0 0 104 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.807 93.8 37.5 -64.8 -24.0 35.7 72.6 61.9 7 7 A Q S S- 0 0 83 -3,-0.1 68,-0.9 70,-0.0 -1,-0.2 -0.996 98.4-124.4-127.7 118.4 35.2 73.9 65.4 8 8 A S - 0 0 96 -2,-0.4 2,-0.6 67,-0.1 68,-0.1 -0.314 17.6-136.4 -65.2 154.4 38.4 75.0 67.3 9 9 A E + 0 0 23 66,-0.2 2,-0.5 68,-0.1 68,-0.1 -0.944 29.8 166.3-116.8 108.4 39.0 73.3 70.7 10 10 A T - 0 0 105 -2,-0.6 68,-0.2 66,-0.5 -2,-0.0 -0.961 28.9-140.9-124.3 109.6 40.1 75.8 73.5 11 11 A H - 0 0 8 -2,-0.5 22,-0.2 1,-0.1 -2,-0.0 -0.538 23.5-115.6 -73.0 127.4 40.0 74.2 76.9 12 12 A P - 0 0 17 0, 0.0 20,-2.1 0, 0.0 -1,-0.1 -0.371 39.5-118.0 -59.4 119.3 38.7 76.7 79.5 13 13 A P E -D 31 0B 81 0, 0.0 18,-0.4 0, 0.0 2,-0.3 -0.324 33.7-175.2 -59.2 154.2 41.8 77.1 82.0 14 14 A L E -D 30 0B 0 16,-1.7 16,-2.4 97,-0.1 2,-0.2 -0.928 9.4-153.7-151.8 126.9 41.5 76.1 85.6 15 15 A T E +D 29 0B 22 73,-2.1 406,-0.4 -2,-0.3 2,-0.3 -0.648 14.5 175.0 -97.9 159.0 44.0 76.5 88.4 16 16 A W E -D 28 0B 10 12,-1.9 12,-3.5 -2,-0.2 2,-0.4 -0.949 28.0-110.3-152.6 165.3 44.3 74.4 91.6 17 17 A Q E -De 27 422B 13 404,-2.0 406,-2.8 -2,-0.3 2,-0.6 -0.886 13.5-156.1-108.8 135.5 46.7 74.3 94.5 18 18 A K E -De 26 423B 95 8,-2.7 8,-2.6 -2,-0.4 2,-0.3 -0.929 22.1-158.3-105.1 122.8 49.2 71.6 95.3 19 19 A b E -D 25 0B 2 404,-2.9 2,-0.3 -2,-0.6 6,-0.2 -0.702 4.2-150.9-107.2 149.7 50.0 71.6 99.0 20 20 A S > - 0 0 54 4,-2.3 3,-1.8 -2,-0.3 4,-0.1 -0.849 28.4-114.3-119.1 158.3 53.0 70.3 100.8 21 21 A S T 3 S+ 0 0 105 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.725 107.6 73.6 -57.8 -26.2 53.4 69.0 104.2 22 22 A G T 3 S- 0 0 68 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.458 118.1 -99.8 -77.3 -1.0 55.7 71.9 105.1 23 23 A G S < S+ 0 0 22 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.474 87.0 96.2 108.5 1.1 52.7 74.2 105.2 24 24 A T - 0 0 91 -4,-0.1 -4,-2.3 407,-0.1 -1,-0.3 -0.788 52.1-149.0-115.6 170.9 52.7 76.1 101.9 25 25 A b E -D 19 0B 8 407,-0.5 2,-0.4 -2,-0.3 -6,-0.2 -0.943 4.0-150.7-138.2 156.7 50.8 75.6 98.7 26 26 A T E -D 18 0B 84 -8,-2.6 -8,-2.7 -2,-0.3 2,-0.2 -0.992 23.2-114.5-131.8 132.8 51.7 76.3 95.1 27 27 A Q E -D 17 0B 98 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.442 27.0-161.6 -68.4 137.0 49.4 77.2 92.3 28 28 A Q E -D 16 0B 64 -12,-3.5 -12,-1.9 -2,-0.2 2,-0.6 -0.906 10.4-139.3-113.6 144.6 49.1 74.7 89.4 29 29 A T E +D 15 0B 100 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.1 -0.918 38.9 139.5-111.6 117.9 47.7 75.6 86.0 30 30 A G E -D 14 0B 9 -16,-2.4 -16,-1.7 -2,-0.6 2,-0.3 -0.345 31.6-145.0-123.1-143.3 45.4 73.1 84.2 31 31 A S E -DF 13 111B 8 80,-0.6 80,-3.1 -18,-0.4 2,-0.4 -0.922 18.7-106.0-178.1 169.8 42.1 73.4 82.1 32 32 A V E - F 0 110B 0 -20,-2.1 2,-0.4 -2,-0.3 78,-0.2 -0.917 23.1-163.5-120.0 151.2 39.0 71.4 81.6 33 33 A V E - F 0 109B 0 76,-1.9 76,-2.3 -2,-0.4 2,-0.3 -0.982 20.7-121.5-130.5 141.5 37.8 69.4 78.6 34 34 A I E - F 0 108B 0 -2,-0.4 74,-0.2 74,-0.2 5,-0.1 -0.598 36.6-100.9 -84.4 141.9 34.4 68.1 77.8 35 35 A D > - 0 0 2 72,-2.8 3,-1.9 -2,-0.3 4,-0.3 -0.238 30.4-116.2 -59.3 144.2 33.8 64.3 77.3 36 36 A A G > S+ 0 0 10 132,-2.2 3,-1.5 1,-0.3 38,-0.1 0.741 107.5 70.7 -57.2 -30.9 33.6 63.1 73.8 37 37 A N G 3 S+ 0 0 26 131,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.761 95.5 53.7 -61.9 -25.6 30.0 62.0 74.0 38 38 A W G < S+ 0 0 60 -3,-1.9 -1,-0.3 69,-0.2 -2,-0.2 0.587 96.5 92.0 -82.3 -9.5 28.8 65.6 74.1 39 39 A R S < S- 0 0 10 -3,-1.5 2,-0.4 -4,-0.3 36,-0.1 -0.323 86.2 -98.4 -84.1 165.6 30.7 66.4 70.9 40 40 A W - 0 0 61 35,-0.3 34,-1.9 34,-0.1 2,-0.5 -0.694 34.7-157.9 -76.8 128.8 29.7 66.4 67.3 41 41 A T E +B 73 0A 3 -2,-0.4 9,-2.5 10,-0.4 10,-1.2 -0.967 27.0 154.5-112.9 117.1 30.8 63.2 65.6 42 42 A H E -BC 72 49A 2 30,-2.2 30,-2.7 -2,-0.5 7,-0.2 -0.864 47.5 -68.0-140.6 173.0 31.1 63.5 61.8 43 43 A A E > -B 71 0A 1 5,-2.6 3,-1.2 -2,-0.3 28,-0.3 -0.289 43.8-123.2 -61.6 147.4 32.8 62.2 58.7 44 44 A T T 3 S+ 0 0 63 26,-2.2 -1,-0.1 1,-0.3 27,-0.1 0.815 108.6 35.6 -63.5 -27.9 36.5 63.0 58.5 45 45 A N T 3 S+ 0 0 142 25,-0.3 2,-0.3 -41,-0.1 -1,-0.3 0.204 123.7 19.2-112.7 11.8 36.2 64.7 55.2 46 46 A S S < S- 0 0 45 -3,-1.2 -4,-0.0 2,-0.2 0, 0.0 -0.951 80.9 -96.5-161.3-179.1 32.8 66.4 55.4 47 47 A S S S+ 0 0 73 -2,-0.3 2,-0.1 -5,-0.1 -3,-0.1 0.374 72.6 130.9 -89.8 4.5 30.1 67.7 57.8 48 48 A T - 0 0 83 1,-0.1 -5,-2.6 -6,-0.1 2,-0.2 -0.374 62.6-115.4 -62.0 132.4 28.0 64.5 57.4 49 49 A N B -C 42 0A 52 -7,-0.2 -7,-0.3 1,-0.2 11,-0.2 -0.450 23.8-169.6 -71.7 135.3 27.0 63.2 60.8 50 50 A c S S+ 0 0 0 -9,-2.5 7,-2.8 1,-0.3 2,-0.4 0.732 88.6 25.6 -82.8 -31.2 28.2 59.9 62.0 51 51 A Y E S+S 56 0C 20 -10,-1.2 -10,-0.4 5,-0.3 2,-0.3 -0.996 73.9 173.0-132.5 135.8 25.8 60.0 64.9 52 52 A D E > -S 55 0C 108 3,-2.5 3,-2.0 -2,-0.4 2,-0.6 -0.978 62.2 -27.7-149.3 126.7 22.6 62.1 64.8 53 53 A G T 3 S- 0 0 31 -2,-0.3 -2,-0.0 1,-0.2 146,-0.0 -0.545 125.7 -35.7 66.4-113.6 19.8 62.2 67.4 54 54 A N T 3 S+ 0 0 31 -2,-0.6 2,-0.3 2,-0.1 -1,-0.2 0.096 122.9 81.4-128.1 21.1 20.1 58.7 68.9 55 55 A T E < -S 52 0C 81 -3,-2.0 -3,-2.5 139,-0.1 2,-0.3 -0.832 67.8-128.6-121.5 160.9 21.1 56.7 65.8 56 56 A W E -S 51 0C 18 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.810 34.3 -98.4-104.0 153.0 24.3 56.1 63.9 57 57 A S > - 0 0 27 -7,-2.8 4,-2.3 -2,-0.3 -7,-0.0 -0.563 29.7-153.1 -63.2 119.4 24.9 56.5 60.1 58 58 A S T 4 S+ 0 0 100 -2,-0.5 -1,-0.2 1,-0.2 -8,-0.0 0.736 92.9 45.3 -72.9 -21.3 24.5 53.0 58.7 59 59 A T T 4 S+ 0 0 117 2,-0.1 -1,-0.2 1,-0.1 -9,-0.1 0.872 119.3 37.3 -89.7 -42.2 26.8 53.8 55.8 60 60 A L T 4 S+ 0 0 30 1,-0.2 10,-0.3 -11,-0.2 -2,-0.2 0.822 128.9 36.1 -70.9 -31.4 29.6 55.6 57.7 61 61 A d < + 0 0 2 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.1 -0.534 62.5 143.7-127.3 62.7 29.3 53.2 60.7 62 62 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.698 81.8 2.5 -75.1 -18.7 28.5 49.7 59.5 63 63 A D S > S- 0 0 51 -3,-0.2 4,-2.2 127,-0.1 5,-0.2 -0.944 86.1 -95.2-158.9 169.6 30.7 48.2 62.3 64 64 A N H > S+ 0 0 5 -2,-0.3 123,-2.4 1,-0.2 4,-1.5 0.845 118.8 43.6 -65.7 -37.7 32.7 49.5 65.2 65 65 A E H > S+ 0 0 126 121,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 114.0 48.5 -76.4 -45.7 36.1 49.6 63.4 66 66 A T H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 110.1 53.5 -61.1 -41.9 34.9 51.1 60.2 67 67 A d H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.932 107.7 49.3 -58.6 -48.6 33.0 53.8 62.0 68 68 A A H < S+ 0 0 5 -4,-1.5 -66,-0.4 1,-0.2 -1,-0.2 0.870 112.1 49.3 -62.2 -34.5 36.1 54.9 64.0 69 69 A K H < S+ 0 0 162 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 117.1 41.3 -68.7 -35.0 38.1 55.0 60.7 70 70 A N H < S+ 0 0 53 -4,-2.1 -26,-2.2 -10,-0.3 2,-0.3 0.599 110.3 65.5 -85.7 -13.9 35.5 57.1 59.0 71 71 A c E < - B 0 43A 0 -4,-1.3 -69,-1.7 -28,-0.3 2,-0.3 -0.813 52.6-171.7-125.8 152.6 34.6 59.5 61.9 72 72 A a E -aB 2 42A 0 -30,-2.7 -30,-2.2 -2,-0.3 2,-0.4 -0.942 23.3-122.6-136.9 159.0 36.0 62.2 64.0 73 73 A L E -aB 3 41A 0 -71,-2.6 -69,-2.7 -2,-0.3 -32,-0.2 -0.813 31.2-151.7 -95.7 140.8 35.2 64.3 67.1 74 74 A D - 0 0 0 -34,-1.9 -69,-0.2 -2,-0.4 -34,-0.1 -0.550 24.2 -77.5-110.8 176.2 35.1 68.0 66.7 75 75 A G - 0 0 0 -68,-0.9 2,-0.4 -71,-0.2 -35,-0.3 -0.192 39.8-126.1 -71.5 165.5 35.7 71.0 68.9 76 76 A A - 0 0 6 -68,-0.1 2,-1.1 -37,-0.1 -66,-0.5 -0.941 5.5-142.9-118.7 136.4 33.4 72.4 71.6 77 77 A A >> - 0 0 42 -2,-0.4 4,-2.3 1,-0.2 5,-1.3 -0.788 29.1-165.1 -91.1 94.2 32.1 76.0 72.1 78 78 A Y H >5S+ 0 0 14 -2,-1.1 6,-2.5 -68,-0.2 4,-0.5 0.899 75.3 29.4 -59.6 -49.0 32.2 75.6 75.9 79 79 A A H >5S+ 0 0 57 4,-0.2 4,-1.4 3,-0.2 -1,-0.2 0.959 125.6 40.4 -77.3 -50.8 30.1 78.6 77.0 80 80 A S H 45S+ 0 0 80 2,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.808 129.1 25.7 -76.9 -29.4 27.6 79.0 74.1 81 81 A T H <5S+ 0 0 30 -4,-2.3 -3,-0.2 3,-0.1 16,-0.2 0.851 135.6 25.5 -93.4 -39.4 26.9 75.3 73.4 82 82 A Y H < -G 90 0B 94 3,-2.5 3,-2.1 -2,-0.3 2,-0.4 -0.816 64.6 -55.0-151.5 108.2 37.5 81.9 86.0 88 88 A G T 3 S- 0 0 48 -2,-0.3 -73,-2.1 1,-0.3 -1,-0.0 -0.436 126.9 -7.3 63.9-116.3 40.8 81.4 87.9 89 89 A N T 3 S+ 0 0 63 -2,-0.4 331,-0.7 -75,-0.2 332,-0.6 0.273 119.0 95.0 -93.5 9.8 40.2 78.5 90.3 90 90 A S E < -GH 87 419B 27 -3,-2.1 -3,-2.5 329,-0.2 2,-0.4 -0.864 48.8-171.3-114.3 138.6 36.4 78.3 89.6 91 91 A L E -GH 86 418B 1 327,-3.2 327,-2.5 -2,-0.4 2,-0.4 -0.994 6.6-167.4-123.4 127.0 34.4 76.1 87.2 92 92 A S E -GH 85 417B 31 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.4 -0.941 2.3-168.8-115.0 143.2 30.7 76.7 86.5 93 93 A I E -GH 84 416B 0 323,-2.5 323,-2.1 -2,-0.4 -9,-0.2 -0.987 9.5-152.3-133.0 118.5 28.3 74.2 84.6 94 94 A G E - H 0 415B 19 -11,-2.3 11,-0.3 -2,-0.4 321,-0.2 -0.526 11.3-136.9 -82.8 160.5 24.8 75.2 83.5 95 95 A F S S+ 0 0 0 319,-2.4 10,-3.2 317,-0.3 2,-0.5 0.991 83.5 18.7 -85.0 -68.5 22.0 72.7 83.2 96 96 A V E -T 104 0D 14 316,-2.4 2,-0.5 318,-0.2 -1,-0.3 -0.918 67.9-173.4-107.2 127.3 20.1 73.4 79.9 97 97 A T E -T 103 0D 21 6,-2.5 6,-2.5 -2,-0.5 2,-0.6 -0.982 9.4-154.6-121.3 123.2 21.9 75.5 77.3 98 98 A Q E +T 102 0D 134 -2,-0.5 4,-0.2 4,-0.2 2,-0.1 -0.859 36.3 132.0 -99.9 118.1 20.0 76.7 74.2 99 99 A S S S- 0 0 52 2,-2.8 -18,-0.1 -2,-0.6 -1,-0.0 -0.193 89.0 -36.2-126.5-131.3 22.0 77.4 71.1 100 100 A A S S+ 0 0 113 -2,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.783 140.6 14.8 -63.4 -24.3 21.2 76.1 67.7 101 101 A Q S S- 0 0 90 -4,-0.1 -2,-2.8 -20,-0.0 2,-0.5 -0.869 94.2 -92.8-136.8 173.5 20.1 73.0 69.7 102 102 A K E -T 98 0D 82 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.779 36.2-168.0 -89.9 131.8 19.4 72.1 73.2 103 103 A N E -T 97 0D 11 -6,-2.5 -6,-2.5 -2,-0.5 2,-0.5 -0.965 6.3-155.6-114.8 141.1 22.2 70.8 75.4 104 104 A V E -T 96 0D 30 -2,-0.4 -8,-0.2 -8,-0.2 -9,-0.1 -0.958 50.7 -46.0-118.5 117.8 21.8 69.1 78.8 105 105 A G - 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