==== 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-JUL-03 1Q2B . COMPND 2 MOLECULE: EXOCELLOBIOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR J.STAHLBERG,M.HARRIS,T.A.JONES . 434 1 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 62.9 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 . 124 28.6 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 . 31 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 8.3 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 4 4 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,-1.4 0.000 360.0 360.0 360.0 152.2 38.2 58.0 65.9 2 2 A S E -a 72 0A 30 69,-1.7 71,-2.5 66,-0.4 2,-0.4 -0.403 360.0-105.8-101.5-176.3 40.4 60.7 64.5 3 3 A A E -a 73 0A 37 69,-0.3 2,-0.3 -2,-0.1 71,-0.2 -0.939 27.1-165.8-118.6 138.4 40.1 64.4 65.0 4 4 A a - 0 0 16 69,-2.6 71,-0.3 -2,-0.4 3,-0.2 -0.777 13.5-147.3-114.6 163.4 38.8 67.1 62.6 5 5 A T + 0 0 114 -2,-0.3 3,-0.1 69,-0.1 69,-0.1 -0.051 58.5 118.0-125.6 36.0 39.1 70.8 62.8 6 6 A L S S+ 0 0 114 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.821 92.1 35.9 -67.5 -27.1 35.9 72.3 61.3 7 7 A Q S S- 0 0 72 -3,-0.2 68,-1.0 2,-0.0 -1,-0.2 -0.996 98.4-121.1-126.3 122.4 35.5 73.8 64.8 8 8 A S - 0 0 79 -2,-0.4 2,-0.6 67,-0.2 68,-0.2 -0.239 18.0-136.7 -63.4 152.8 38.5 74.8 66.7 9 9 A E + 0 0 22 66,-0.2 2,-0.5 68,-0.1 68,-0.1 -0.928 29.9 165.5-117.7 105.4 39.2 73.2 70.1 10 10 A T - 0 0 106 -2,-0.6 68,-0.3 66,-0.5 -2,-0.0 -0.954 29.4-140.2-123.0 109.2 40.4 75.6 72.8 11 11 A H - 0 0 7 -2,-0.5 22,-0.2 1,-0.1 3,-0.1 -0.514 24.4-114.4 -71.1 125.0 40.2 74.2 76.3 12 12 A P - 0 0 16 0, 0.0 20,-2.0 0, 0.0 -1,-0.1 -0.405 38.0-117.3 -60.2 126.7 38.9 76.6 78.9 13 13 A P E -D 31 0B 83 0, 0.0 18,-0.3 0, 0.0 2,-0.3 -0.276 35.3-179.2 -64.6 153.3 41.9 77.3 81.3 14 14 A L E -D 30 0B 1 16,-1.8 16,-2.2 97,-0.1 75,-0.2 -0.895 10.7-155.1-157.0 122.2 41.5 76.3 84.9 15 15 A T E +D 29 0B 20 73,-2.0 406,-0.4 -2,-0.3 2,-0.3 -0.603 14.2 176.8 -97.3 160.5 44.1 76.8 87.7 16 16 A W E -D 28 0B 10 12,-1.8 12,-3.5 -2,-0.2 2,-0.4 -0.967 28.1-105.7-155.4 162.7 44.4 74.8 90.9 17 17 A Q E -De 27 422B 14 404,-2.8 406,-2.9 -2,-0.3 2,-0.6 -0.813 15.6-161.4-102.8 135.0 46.6 74.6 93.9 18 18 A K E -De 26 423B 92 8,-2.6 8,-2.8 -2,-0.4 2,-0.2 -0.966 22.1-164.2-110.7 115.1 49.2 71.9 94.7 19 19 A b E -D 25 0B 3 404,-2.8 2,-0.3 -2,-0.6 6,-0.3 -0.672 4.7-148.9-102.4 157.6 50.1 72.1 98.4 20 20 A S > - 0 0 49 4,-2.6 3,-2.0 -2,-0.2 4,-0.1 -0.846 29.7-112.2-123.7 160.5 53.0 70.5 100.3 21 21 A S T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 403,-0.0 0.763 110.0 75.3 -60.4 -23.6 53.5 69.2 103.8 22 22 A G T 3 S- 0 0 67 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.596 117.6-104.0 -65.6 -12.3 55.8 72.2 104.3 23 23 A G S < S+ 0 0 21 -3,-2.0 2,-0.3 1,-0.4 -2,-0.1 0.461 85.4 102.3 105.0 0.1 52.8 74.5 104.6 24 24 A T - 0 0 86 -4,-0.1 -4,-2.6 407,-0.1 -1,-0.4 -0.810 50.9-152.8-116.9 159.7 52.8 76.2 101.2 25 25 A b E -D 19 0B 7 407,-0.7 2,-0.4 -2,-0.3 -6,-0.3 -0.950 5.9-155.4-128.4 147.7 50.8 75.8 98.1 26 26 A T E -D 18 0B 84 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.2 -0.987 23.3-113.5-127.4 135.9 51.7 76.6 94.5 27 27 A Q E -D 17 0B 97 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.426 27.4-161.7 -70.6 137.8 49.4 77.4 91.6 28 28 A Q E -D 16 0B 66 -12,-3.5 -12,-1.8 -2,-0.2 2,-0.5 -0.873 9.7-140.4-115.3 149.3 49.2 75.0 88.7 29 29 A T E +D 15 0B 102 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.952 38.6 136.4-118.0 118.8 47.8 75.8 85.3 30 30 A G E -D 14 0B 10 -16,-2.2 -16,-1.8 -2,-0.5 2,-0.3 -0.428 33.5-137.4-132.0-151.7 45.6 73.3 83.5 31 31 A S E -DF 13 111B 8 80,-0.8 80,-3.4 -18,-0.3 2,-0.4 -0.952 15.5-110.1-164.0 175.2 42.4 73.3 81.5 32 32 A V E - F 0 110B 0 -20,-2.0 2,-0.4 -2,-0.3 78,-0.2 -0.929 21.5-165.3-122.1 147.2 39.2 71.4 81.0 33 33 A V E - F 0 109B 0 76,-1.8 76,-2.1 -2,-0.4 2,-0.3 -0.988 21.6-121.2-130.7 139.9 38.1 69.3 78.0 34 34 A I E - F 0 108B 0 -2,-0.4 74,-0.2 74,-0.2 5,-0.1 -0.582 37.0 -97.8 -84.2 142.1 34.6 68.0 77.2 35 35 A D > - 0 0 3 72,-2.8 3,-1.8 -2,-0.3 4,-0.4 -0.211 31.7-115.3 -56.0 142.6 33.9 64.3 76.8 36 36 A A G > S+ 0 0 9 132,-2.3 3,-1.4 1,-0.3 38,-0.1 0.756 108.0 70.1 -51.0 -33.3 33.8 63.0 73.3 37 37 A N G 3 S+ 0 0 24 131,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.749 95.3 54.1 -61.2 -25.0 30.2 62.0 73.5 38 38 A W G < S+ 0 0 60 -3,-1.8 -1,-0.3 69,-0.1 -2,-0.2 0.622 95.6 93.5 -83.5 -13.5 29.1 65.6 73.5 39 39 A R S < S- 0 0 9 -3,-1.4 2,-0.5 -4,-0.4 36,-0.1 -0.219 86.1 -99.8 -79.6 167.4 31.0 66.4 70.3 40 40 A W - 0 0 86 35,-0.3 34,-1.6 34,-0.2 2,-0.6 -0.765 35.1-158.5 -85.9 123.3 29.9 66.4 66.7 41 41 A T E +B 73 0A 3 -2,-0.5 9,-2.8 10,-0.4 10,-1.2 -0.940 26.8 153.4-108.4 115.9 31.0 63.1 65.1 42 42 A H E -BC 72 49A 3 30,-1.9 30,-2.6 -2,-0.6 7,-0.3 -0.830 48.3 -67.3-137.2 174.2 31.2 63.4 61.3 43 43 A A E > -B 71 0A 1 5,-2.9 3,-1.1 -2,-0.3 28,-0.2 -0.340 43.0-126.3 -61.9 141.8 33.0 62.0 58.2 44 44 A T T 3 S+ 0 0 61 26,-2.1 -1,-0.1 1,-0.2 27,-0.1 0.792 107.8 35.3 -61.1 -30.1 36.7 62.8 58.0 45 45 A N T 3 S+ 0 0 145 25,-0.3 2,-0.3 3,-0.1 -1,-0.2 0.218 124.3 25.8-111.8 14.5 36.4 64.3 54.5 46 46 A S S < S- 0 0 45 -3,-1.1 -4,-0.0 2,-0.2 0, 0.0 -0.913 80.1-103.3-157.4-177.1 32.9 66.0 54.7 47 47 A S S S+ 0 0 79 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 0.271 72.4 129.2-100.2 9.4 30.4 67.5 57.1 48 48 A T - 0 0 81 1,-0.1 -5,-2.9 -6,-0.1 -2,-0.2 -0.512 62.3-118.2 -70.2 125.3 28.2 64.4 57.0 49 49 A N B -C 42 0A 56 -2,-0.3 -7,-0.3 -7,-0.3 11,-0.2 -0.342 19.7-166.0 -65.0 138.2 27.2 63.1 60.5 50 50 A c S S+ 0 0 1 -9,-2.8 7,-2.7 1,-0.3 2,-0.4 0.674 87.5 26.5 -92.1 -22.7 28.3 59.7 61.5 51 51 A Y E S+T 56 0C 15 -10,-1.2 -10,-0.4 5,-0.2 -1,-0.3 -0.998 70.2 167.1-140.2 134.6 25.9 60.0 64.4 52 52 A D E > -T 55 0C 112 3,-2.3 3,-1.8 -2,-0.4 2,-0.6 -0.971 64.2 -19.3-150.5 135.6 22.7 62.1 64.6 53 53 A G T 3 S- 0 0 27 -2,-0.3 -2,-0.0 1,-0.2 3,-0.0 -0.596 125.6 -39.7 68.7-116.1 19.9 62.0 67.1 54 54 A N T 3 S+ 0 0 38 -2,-0.6 2,-0.3 2,-0.1 -1,-0.2 0.043 120.6 77.4-132.3 28.3 20.4 58.6 68.6 55 55 A T E < -T 52 0C 87 -3,-1.8 -3,-2.3 139,-0.1 2,-0.2 -0.938 69.2-122.6-135.4 158.7 21.3 56.5 65.6 56 56 A W E -T 51 0C 16 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.651 34.2 -96.0-100.4 157.8 24.4 55.9 63.5 57 57 A S > - 0 0 26 -7,-2.7 4,-2.2 -2,-0.2 -1,-0.1 -0.577 30.0-153.3 -69.3 119.3 25.0 56.4 59.8 58 58 A S T 4 S+ 0 0 102 -2,-0.5 -1,-0.2 1,-0.2 -8,-0.0 0.762 92.8 44.8 -68.9 -22.7 24.5 52.9 58.3 59 59 A T T 4 S+ 0 0 113 2,-0.1 -1,-0.2 1,-0.1 -9,-0.1 0.888 119.6 36.5 -87.5 -44.9 26.8 53.7 55.4 60 60 A L T 4 S+ 0 0 31 1,-0.2 10,-0.3 -11,-0.2 -2,-0.2 0.809 129.1 36.4 -76.8 -29.1 29.7 55.4 57.2 61 61 A d < + 0 0 2 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.1 -0.480 61.4 144.1-125.9 64.2 29.4 53.1 60.2 62 62 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.735 82.6 1.4 -69.9 -23.7 28.5 49.5 59.1 63 63 A D S > S- 0 0 49 -3,-0.2 4,-2.2 127,-0.1 5,-0.2 -0.946 85.5 -94.7-155.1 168.3 30.7 48.1 61.8 64 64 A N H > S+ 0 0 3 -2,-0.3 123,-1.9 1,-0.2 4,-1.7 0.865 119.0 44.4 -60.2 -41.2 32.9 49.5 64.7 65 65 A E H > S+ 0 0 137 2,-0.2 4,-1.8 121,-0.2 -1,-0.2 0.939 114.8 45.9 -70.7 -48.2 36.2 49.4 62.8 66 66 A T H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 111.9 54.6 -60.9 -40.4 34.9 51.0 59.6 67 67 A d H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.914 108.0 47.4 -59.7 -46.5 33.1 53.6 61.6 68 68 A A H < S+ 0 0 8 -4,-1.7 -66,-0.4 1,-0.2 -1,-0.2 0.835 112.5 50.7 -65.7 -32.5 36.2 54.6 63.5 69 69 A K H < S+ 0 0 157 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 116.7 39.4 -72.5 -38.9 38.2 54.8 60.2 70 70 A N H < S+ 0 0 56 -4,-2.5 -26,-2.1 -10,-0.3 2,-0.3 0.636 110.4 71.8 -84.8 -14.4 35.6 57.0 58.5 71 71 A c E < - B 0 43A 0 -4,-1.6 -69,-1.7 -28,-0.2 2,-0.3 -0.781 51.5-176.7-115.8 152.8 34.7 59.2 61.4 72 72 A a E -aB 2 42A 0 -30,-2.6 -30,-1.9 -2,-0.3 2,-0.4 -0.937 24.6-124.1-137.8 158.4 36.2 62.0 63.5 73 73 A L E -aB 3 41A 0 -71,-2.5 -69,-2.6 -2,-0.3 -32,-0.2 -0.809 32.2-153.4 -99.3 141.7 35.4 64.1 66.5 74 74 A D - 0 0 0 -34,-1.6 -34,-0.2 -2,-0.4 -69,-0.1 -0.570 24.2 -71.5-113.1 178.4 35.4 67.8 66.1 75 75 A G - 0 0 7 -68,-1.0 2,-0.4 -71,-0.3 -35,-0.3 -0.119 40.7-130.8 -65.6 163.0 36.0 70.9 68.2 76 76 A A - 0 0 3 -68,-0.2 2,-1.3 -37,-0.1 -66,-0.5 -0.948 6.1-143.9-121.8 134.5 33.6 72.3 70.9 77 77 A A >> - 0 0 19 -2,-0.4 4,-2.1 1,-0.2 5,-1.4 -0.774 26.7-166.3 -91.9 89.7 32.3 75.8 71.5 78 78 A Y T 45S+ 0 0 12 -2,-1.3 6,-2.9 -68,-0.3 4,-0.3 0.846 75.0 30.6 -48.3 -49.4 32.4 75.5 75.2 79 79 A A T >5S+ 0 0 54 4,-0.3 4,-1.4 3,-0.2 -1,-0.2 0.971 124.6 38.8 -79.2 -56.7 30.3 78.5 76.2 80 80 A S T 45S+ 0 0 81 2,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.828 130.7 26.4 -66.2 -34.4 27.9 79.0 73.3 81 81 A T T <5S+ 0 0 29 -4,-2.1 -3,-0.2 3,-0.1 16,-0.2 0.872 135.3 24.7 -96.1 -43.5 27.1 75.3 72.7 82 82 A Y T 4 -G 90 0B 94 3,-2.2 3,-2.3 -2,-0.3 2,-0.4 -0.823 65.5 -53.5-154.1 108.0 37.5 82.1 85.3 88 88 A G T 3 S- 0 0 50 -2,-0.3 -73,-2.0 1,-0.3 -1,-0.0 -0.424 127.6 -9.4 61.3-115.0 40.8 81.6 87.2 89 89 A N T 3 S+ 0 0 66 -2,-0.4 331,-0.7 -75,-0.2 332,-0.5 0.260 118.7 97.3 -98.4 12.3 40.2 78.7 89.5 90 90 A S E < -GH 87 419B 31 -3,-2.3 -3,-2.2 329,-0.2 2,-0.4 -0.825 48.6-170.6-109.6 144.0 36.5 78.6 88.9 91 91 A L E -GH 86 418B 0 327,-3.2 327,-2.5 -2,-0.4 2,-0.4 -0.996 4.2-169.3-130.0 129.4 34.4 76.3 86.6 92 92 A S E -GH 85 417B 18 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.4 -0.964 2.8-170.1-122.6 137.6 30.7 76.8 85.8 93 93 A I E -GH 84 416B 0 323,-2.4 323,-1.8 -2,-0.4 2,-0.2 -0.986 12.3-148.9-127.5 120.4 28.4 74.3 84.0 94 94 A D E - 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