==== 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 1Q2E . COMPND 2 MOLECULE: EXOCELLOBIOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR J.STAHLBERG,M.HARRIS,T.A.JONES . 852 2 20 20 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 245 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 63 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 4 2 0 4 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 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 . 10 10 6 11 5 4 4 2 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 . 12 2 2 0 0 0 0 0 0 0 0 0 0 0 0 2 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,-1.9 0, 0.0 162,-1.5 0.000 360.0 360.0 360.0 153.2 36.9 59.3 38.3 2 2 A S E -a 72 0A 31 69,-1.6 71,-2.5 66,-0.4 2,-0.4 -0.397 360.0-104.1-101.9-176.8 39.0 62.2 37.0 3 3 A A E -a 73 0A 40 69,-0.3 2,-0.3 -2,-0.1 71,-0.2 -0.900 27.0-163.6-114.9 142.9 38.6 65.9 37.7 4 4 A a - 0 0 17 69,-2.4 71,-0.3 -2,-0.4 3,-0.1 -0.805 11.9-149.5-117.6 163.4 37.2 68.6 35.4 5 5 A T + 0 0 114 -2,-0.3 3,-0.1 69,-0.2 69,-0.1 0.056 58.2 117.7-125.2 28.5 37.5 72.3 35.6 6 6 A L S S+ 0 0 107 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.834 93.9 35.1 -61.3 -27.3 34.3 73.8 34.1 7 7 A Q S S- 0 0 75 -3,-0.1 68,-1.0 70,-0.0 -1,-0.2 -0.989 98.1-123.5-127.6 118.8 33.9 75.2 37.6 8 8 A S - 0 0 78 -2,-0.4 2,-0.7 67,-0.1 68,-0.1 -0.285 18.4-134.1 -63.1 146.2 37.0 76.2 39.5 9 9 A E + 0 0 22 66,-0.2 2,-0.5 68,-0.1 68,-0.1 -0.903 29.3 169.8-107.1 109.0 37.6 74.5 42.9 10 10 A T - 0 0 105 -2,-0.7 68,-0.2 66,-0.5 -2,-0.0 -0.916 27.5-139.9-123.9 103.8 38.6 76.9 45.7 11 11 A H - 0 0 10 -2,-0.5 22,-0.2 1,-0.1 -2,-0.0 -0.428 24.6-115.3 -63.9 120.7 38.6 75.3 49.1 12 12 A P - 0 0 14 0, 0.0 20,-2.1 0, 0.0 -1,-0.1 -0.384 37.2-118.1 -58.8 125.4 37.2 77.7 51.8 13 13 A P E -D 31 0B 83 0, 0.0 18,-0.3 0, 0.0 2,-0.3 -0.298 34.6-178.6 -65.9 151.4 40.1 78.4 54.2 14 14 A L E -D 30 0B 1 16,-1.9 16,-2.5 72,-0.1 2,-0.2 -0.921 13.1-150.0-154.5 124.5 39.8 77.5 57.8 15 15 A T E +D 29 0B 21 73,-1.9 398,-0.4 -2,-0.3 2,-0.3 -0.624 18.1 174.5 -94.6 155.3 42.2 78.0 60.7 16 16 A W E -D 28 0B 10 12,-1.8 12,-3.7 -2,-0.2 2,-0.4 -0.953 28.0-107.6-150.8 165.4 42.6 75.8 63.7 17 17 A Q E -De 27 414B 11 396,-3.0 398,-2.7 -2,-0.3 2,-0.6 -0.837 15.5-163.3-106.4 136.4 44.9 75.5 66.8 18 18 A K E -De 26 415B 102 8,-2.4 8,-2.6 -2,-0.4 2,-0.3 -0.977 20.6-166.9-114.1 118.2 47.6 72.9 67.4 19 19 A b E -D 25 0B 5 396,-3.0 2,-0.3 -2,-0.6 6,-0.3 -0.710 6.4-145.1-106.9 158.0 48.5 72.9 71.1 20 20 A S > - 0 0 47 4,-2.4 3,-2.2 -2,-0.3 4,-0.1 -0.821 28.8-113.4-121.0 160.9 51.5 71.3 72.9 21 21 A S T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 395,-0.0 0.749 112.0 73.5 -61.3 -22.2 52.0 69.7 76.3 22 22 A G T 3 S- 0 0 68 2,-0.1 -1,-0.3 1,-0.1 398,-0.0 0.598 119.0-104.3 -68.5 -11.9 54.2 72.7 77.0 23 23 A G S < S+ 0 0 24 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.482 82.3 109.2 104.7 1.6 51.2 75.0 77.3 24 24 A T - 0 0 90 -4,-0.1 -4,-2.4 399,-0.1 2,-0.4 -0.846 47.1-155.9-115.7 152.6 51.2 76.9 74.0 25 25 A b E -D 19 0B 7 399,-0.7 2,-0.4 -2,-0.3 -6,-0.3 -0.967 7.7-161.6-124.0 138.3 48.9 76.8 71.0 26 26 A T E -D 18 0B 76 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.3 -0.957 25.4-109.9-122.8 141.1 49.9 77.9 67.5 27 27 A Q E -D 17 0B 101 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.499 29.9-163.5 -74.0 132.5 47.5 78.7 64.6 28 28 A Q E -D 16 0B 56 -12,-3.7 -12,-1.8 -2,-0.3 2,-0.6 -0.822 10.4-140.5-110.4 151.2 47.4 76.3 61.7 29 29 A T E +D 15 0B 109 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.1 -0.942 37.6 139.8-119.9 114.1 45.9 77.2 58.3 30 30 A G E -D 14 0B 9 -16,-2.5 -16,-1.9 -2,-0.6 2,-0.3 -0.344 31.4-141.1-124.7-151.6 43.9 74.6 56.4 31 31 A S E -DF 13 111B 10 80,-0.7 80,-3.5 -18,-0.3 2,-0.4 -0.954 15.1-112.6-166.1 172.9 40.7 74.6 54.3 32 32 A V E - F 0 110B 0 -20,-2.1 2,-0.4 -2,-0.3 78,-0.2 -0.924 18.8-163.4-123.2 148.8 37.6 72.4 53.7 33 33 A V E - F 0 109B 0 76,-1.8 76,-2.1 -2,-0.4 2,-0.3 -0.968 22.2-119.6-128.1 144.7 36.5 70.4 50.7 34 34 A I E - F 0 108B 0 -2,-0.4 74,-0.2 74,-0.2 5,-0.1 -0.631 37.4 -96.3 -88.7 142.9 33.1 69.1 49.9 35 35 A D > - 0 0 2 72,-2.7 3,-1.7 -2,-0.3 4,-0.5 -0.166 31.1-117.8 -52.6 143.8 32.5 65.3 49.5 36 36 A A G > S+ 0 0 9 132,-2.4 3,-1.0 1,-0.3 -1,-0.1 0.759 108.0 69.7 -56.2 -30.2 32.4 64.0 45.9 37 37 A N G 3 S+ 0 0 23 131,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.754 96.6 52.8 -62.5 -24.9 28.8 62.9 46.2 38 38 A W G < S+ 0 0 61 -3,-1.7 -1,-0.3 69,-0.1 -2,-0.2 0.654 95.0 95.3 -83.8 -17.5 27.6 66.5 46.3 39 39 A R S < S- 0 0 7 -3,-1.0 2,-0.5 -4,-0.5 36,-0.1 -0.216 85.2-100.7 -76.1 163.3 29.5 67.4 43.1 40 40 A W - 0 0 86 35,-0.3 34,-2.0 34,-0.2 2,-0.6 -0.711 35.1-157.7 -81.8 126.4 28.4 67.6 39.5 41 41 A T E +B 73 0A 2 -2,-0.5 9,-2.9 10,-0.4 10,-1.1 -0.950 26.8 153.5-110.7 115.5 29.5 64.4 37.7 42 42 A H E -BC 72 49A 2 30,-1.7 30,-2.4 -2,-0.6 7,-0.2 -0.821 48.2 -68.1-136.6 175.1 29.7 64.8 34.0 43 43 A A E > -B 71 0A 8 5,-2.7 3,-1.0 -2,-0.3 28,-0.2 -0.329 41.1-127.6 -62.0 144.0 31.4 63.5 30.8 44 44 A T T 3 S+ 0 0 53 26,-2.0 -1,-0.1 1,-0.2 27,-0.1 0.786 108.9 40.7 -65.2 -25.7 35.1 64.4 30.6 45 45 A N T 3 S+ 0 0 150 25,-0.3 2,-0.3 3,-0.1 -1,-0.2 0.291 124.4 13.3-106.4 8.2 34.6 65.9 27.1 46 46 A S S < S- 0 0 50 -3,-1.0 -4,-0.0 2,-0.2 0, 0.0 -0.933 79.3 -96.0-162.7-175.7 31.2 67.7 27.6 47 47 A S S S+ 0 0 73 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 0.270 73.1 131.1 -96.8 8.8 28.6 69.0 30.1 48 48 A T - 0 0 82 1,-0.1 -5,-2.7 -6,-0.1 -2,-0.2 -0.461 62.1-118.8 -64.5 128.4 26.5 65.9 29.7 49 49 A N B -C 42 0A 63 -7,-0.2 -7,-0.3 -2,-0.2 11,-0.2 -0.407 21.2-166.1 -71.2 142.5 25.6 64.5 33.1 50 50 A c S S+ 0 0 1 -9,-2.9 7,-3.1 1,-0.4 2,-0.3 0.668 86.1 23.6 -95.0 -23.0 26.8 61.1 34.1 51 51 A Y E +T 56 0C 19 -10,-1.1 -10,-0.4 5,-0.3 -1,-0.4 -0.997 69.1 165.6-142.5 136.2 24.4 61.2 37.1 52 52 A D E > -T 55 0C 108 3,-2.4 3,-2.1 -2,-0.3 2,-0.5 -0.965 64.2 -17.7-153.0 137.3 21.2 63.3 37.5 53 53 A G T 3 S- 0 0 25 -2,-0.3 -2,-0.0 1,-0.2 3,-0.0 -0.568 126.1 -39.7 67.8-117.8 18.4 63.0 40.0 54 54 A N T 3 S+ 0 0 37 -2,-0.5 2,-0.3 2,-0.1 -1,-0.2 0.044 120.3 88.5-129.3 25.4 18.9 59.4 41.3 55 55 A T E < -T 52 0C 82 -3,-2.1 -3,-2.4 139,-0.1 2,-0.2 -0.943 64.6-134.7-128.3 147.1 19.8 57.8 38.0 56 56 A W E -T 51 0C 17 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.644 34.4 -98.6 -96.2 156.2 23.0 57.2 36.1 57 57 A S > - 0 0 26 -7,-3.1 4,-2.3 -2,-0.2 -1,-0.1 -0.617 28.7-155.7 -72.4 118.5 23.6 57.7 32.4 58 58 A S T 4 S+ 0 0 98 -2,-0.5 -1,-0.2 2,-0.2 -8,-0.0 0.741 91.8 47.0 -69.8 -21.7 23.3 54.3 30.8 59 59 A T T 4 S+ 0 0 110 2,-0.1 -1,-0.2 1,-0.1 -9,-0.1 0.907 120.2 34.5 -85.4 -46.1 25.4 55.3 27.9 60 60 A L T 4 S+ 0 0 31 1,-0.2 10,-0.3 -11,-0.2 -2,-0.2 0.797 130.0 37.1 -77.2 -28.2 28.3 57.0 29.8 61 61 A d < + 0 0 2 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.1 -0.474 60.9 143.4-126.7 63.5 28.0 54.5 32.7 62 62 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.763 82.7 0.9 -68.6 -26.8 27.2 51.0 31.4 63 63 A D S > S- 0 0 48 -3,-0.2 4,-2.1 127,-0.1 5,-0.2 -0.947 85.1 -94.6-153.9 167.7 29.4 49.5 34.1 64 64 A N H > S+ 0 0 4 -2,-0.3 123,-1.9 1,-0.2 4,-1.8 0.860 118.9 44.8 -58.7 -41.1 31.6 50.8 37.0 65 65 A E H > S+ 0 0 136 2,-0.2 4,-1.8 121,-0.2 -1,-0.2 0.958 114.4 45.5 -69.1 -53.5 34.9 50.8 35.0 66 66 A T H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 112.3 54.8 -56.8 -39.6 33.7 52.5 31.9 67 67 A d H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.935 106.3 49.4 -61.2 -48.6 31.8 55.0 34.0 68 68 A A H < S+ 0 0 4 -4,-1.8 -66,-0.4 1,-0.2 -1,-0.2 0.845 113.4 48.4 -60.8 -34.1 34.9 56.0 35.9 69 69 A K H < S+ 0 0 130 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.9 41.2 -72.5 -44.0 36.8 56.5 32.6 70 70 A N H < S+ 0 0 59 -4,-2.5 -26,-2.0 -10,-0.3 -25,-0.3 0.637 110.4 68.9 -79.8 -14.9 34.1 58.6 30.9 71 71 A c E < - B 0 43A 0 -4,-1.7 -69,-1.6 -28,-0.2 2,-0.3 -0.766 52.6-176.6-115.5 155.7 33.3 60.7 33.9 72 72 A a E -aB 2 42A 0 -30,-2.4 -30,-1.7 -2,-0.3 2,-0.4 -0.934 25.9-121.8-139.7 160.6 34.8 63.4 36.1 73 73 A L E -aB 3 41A 0 -71,-2.5 -69,-2.4 -2,-0.3 -32,-0.2 -0.871 32.5-152.4-102.7 136.3 33.9 65.4 39.2 74 74 A D - 0 0 0 -34,-2.0 -34,-0.2 -2,-0.4 -69,-0.2 -0.510 24.1 -77.6-106.2 176.7 33.8 69.2 38.8 75 75 A G - 0 0 7 -68,-1.0 2,-0.4 -71,-0.3 -35,-0.3 -0.100 40.4-129.2 -67.7 168.1 34.4 72.1 41.1 76 76 A A - 0 0 5 -68,-0.1 2,-1.3 -37,-0.1 -66,-0.5 -0.966 7.4-141.1-126.8 136.5 31.9 73.5 43.6 77 77 A A >> - 0 0 20 -2,-0.4 4,-2.2 1,-0.2 5,-1.3 -0.789 28.0-165.0 -90.8 92.9 30.6 77.0 44.3 78 78 A Y H >5S+ 0 0 13 -2,-1.3 6,-2.5 -68,-0.2 4,-0.5 0.877 76.1 32.1 -49.0 -52.3 30.7 76.6 48.1 79 79 A A H >5S+ 0 0 58 4,-0.3 4,-1.4 3,-0.2 -1,-0.2 0.981 124.2 38.9 -74.3 -59.3 28.5 79.5 49.1 80 80 A S H 45S+ 0 0 80 2,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.816 130.8 26.0 -64.6 -33.9 26.0 79.9 46.3 81 81 A T H <5S+ 0 0 37 -4,-2.2 -3,-0.2 3,-0.1 16,-0.1 0.876 135.4 24.1 -96.9 -44.7 25.5 76.2 45.6 82 82 A Y H < -G 90 0B 94 3,-2.4 3,-1.9 -2,-0.3 2,-0.4 -0.747 66.8 -48.7-159.5 105.0 35.5 83.1 58.3 88 88 A G T 3 S- 0 0 50 1,-0.3 -73,-1.9 -2,-0.2 -1,-0.1 -0.519 127.0 -15.5 67.2-119.3 38.7 82.8 60.3 89 89 A N T 3 S+ 0 0 46 -2,-0.4 323,-0.5 -75,-0.2 324,-0.4 0.183 119.2 99.7-101.9 16.6 38.3 79.6 62.5 90 90 A S E < -G 87 0B 31 -3,-1.9 -3,-2.4 321,-0.2 2,-0.4 -0.848 48.0-173.4-109.0 141.0 34.5 79.5 61.9 91 91 A L E -GH 86 410B 0 319,-3.1 319,-2.4 -2,-0.4 2,-0.4 -0.999 4.0-169.0-131.8 130.3 32.6 77.3 59.4 92 92 A S E -GH 85 409B 26 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.4 -0.954 4.7-168.1-123.7 143.2 28.9 77.5 58.7 93 93 A I E -GH 84 408B 0 315,-2.2 315,-1.6 -2,-0.4 -9,-0.2 -0.984 12.8-147.0-130.8 119.6 26.7 75.2 56.8 94 94 A D E - H 0 407B 61 -11,-2.3 11,-0.3 -2,-0.4 313,-0.3 -0.565 11.6-136.3 -83.9 152.0 23.1 76.1 55.7 95 95 A F S S+ 0 0 0 311,-3.0 10,-3.2 309,-0.3 2,-0.5 0.988 86.2 22.8 -71.0 -63.1 20.5 73.4 55.5 96 96 A V E -U 104 0D 14 308,-2.5 2,-0.4 310,-0.3 -1,-0.2 -0.928 65.9-177.6-113.7 129.1 18.7 74.3 52.3 97 97 A T E -U 103 0D 16 6,-2.4 6,-2.5 -2,-0.5 2,-0.6 -0.989 12.4-153.6-126.3 126.6 20.4 76.2 49.5 98 98 A Q E +U 102 0D 136 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.881 36.8 132.1-104.1 113.2 18.5 77.2 46.3 99 99 A S S S- 0 0 55 2,-2.7 -18,-0.1 -2,-0.6 3,-0.1 0.030 88.5 -38.4-123.0-126.0 20.7 77.8 43.2 100 100 A A S S+ 0 0 111 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.560 140.3 20.4 -80.2 -5.3 20.0 76.3 39.7 101 101 A Q S S- 0 0 110 -4,-0.1 -2,-2.7 -20,-0.1 2,-0.5 -0.961 93.8 -96.9-153.4 161.3 19.0 73.3 41.9 102 102 A K E -U 98 0D 72 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.749 38.9-167.4 -87.0 129.8 17.9 72.6 45.5 103 103 A N E -U 97 0D 21 -6,-2.5 -6,-2.4 -2,-0.5 2,-0.5 -0.961 8.0-155.0-120.3 138.8 20.8 71.4 47.7 104 104 A V E -U 96 0D 32 -2,-0.4 -8,-0.2 -8,-0.2 -9,-0.1 -0.951 51.4 -51.9-117.3 116.4 20.4 69.9 51.1 105 105 A G - 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