==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-02 1H46 . COMPND 2 MOLECULE: EXOGLUCANASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR I.G.MUNOZ,S.L.MOWBRAY,J.STAHLBERG . 431 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 9.7 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 0 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 2 1 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 . 8 5 3 3 4 0 3 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 . 5 1 1 0 0 0 1 0 1 0 0 0 0 0 0 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 X X 0 0 1 0, 0.0 158,-2.4 0, 0.0 159,-0.7 0.000 360.0 360.0 360.0 147.3 24.3 -4.7 39.9 2 2 X Q E -a 72 0A 40 69,-3.1 71,-2.4 66,-0.2 2,-0.6 -0.367 360.0-102.4 -81.8 170.8 25.8 -8.0 40.7 3 3 X A E -a 73 0A 44 69,-0.2 71,-0.2 156,-0.2 2,-0.1 -0.873 37.1-143.4 -96.3 118.2 24.5 -11.4 39.4 4 4 X G - 0 0 3 69,-3.3 40,-0.1 -2,-0.6 69,-0.1 -0.426 15.1-166.6 -81.1 156.9 22.4 -13.3 42.0 5 5 X T + 0 0 128 39,-0.1 3,-0.1 -2,-0.1 -1,-0.1 0.227 63.7 95.3-124.7 8.5 22.5 -17.0 42.4 6 6 X N S S+ 0 0 45 1,-0.2 2,-0.4 40,-0.1 68,-0.1 0.794 94.1 29.2 -71.9 -27.9 19.5 -17.7 44.6 7 7 X T S S- 0 0 54 70,-0.0 68,-1.2 2,-0.0 -1,-0.2 -0.982 88.6-118.8-138.5 120.0 17.2 -18.5 41.7 8 8 X A - 0 0 73 -2,-0.4 2,-0.7 -3,-0.1 68,-0.1 -0.251 23.6-134.0 -55.8 140.3 18.3 -19.9 38.4 9 9 X E + 0 0 16 66,-0.2 2,-0.6 68,-0.1 -1,-0.1 -0.907 28.4 175.6-101.9 110.4 17.6 -17.7 35.4 10 10 X N - 0 0 123 -2,-0.7 68,-0.2 66,-0.4 66,-0.1 -0.951 21.4-144.8-117.8 107.6 16.0 -19.7 32.6 11 11 X H - 0 0 9 -2,-0.6 22,-0.1 1,-0.1 -2,-0.0 -0.625 20.2-118.6 -75.2 126.9 15.0 -17.6 29.7 12 12 X P - 0 0 26 0, 0.0 20,-2.4 0, 0.0 2,-0.3 -0.310 31.5-114.2 -58.9 144.8 11.8 -18.7 28.0 13 13 X Q B +D 31 0B 95 18,-0.2 75,-0.6 73,-0.2 18,-0.3 -0.598 35.6 174.2 -80.5 141.8 12.4 -19.6 24.3 14 14 X L B -k 88 0C 0 16,-2.6 75,-0.2 -2,-0.3 16,-0.2 -0.749 20.5-149.4-146.7 97.1 10.7 -17.5 21.7 15 15 X Q - 0 0 81 73,-3.6 403,-0.5 -2,-0.3 2,-0.3 -0.268 16.5-176.3 -69.3 148.1 11.8 -18.5 18.2 16 16 X S E -L 28 0D 2 12,-1.8 12,-3.2 401,-0.1 2,-0.4 -0.833 18.4-124.2-131.7 174.8 11.9 -15.9 15.5 17 17 X Q E -Lm 27 419D 48 401,-1.9 403,-2.4 -2,-0.3 2,-0.5 -0.985 6.2-153.0-125.0 138.5 12.7 -16.1 11.8 18 18 X Q E -Lm 26 420D 92 8,-2.7 8,-2.5 -2,-0.4 2,-0.4 -0.918 24.7-162.8-105.9 137.6 15.3 -14.3 9.7 19 19 X C E -Lm 25 421D 2 401,-2.1 403,-1.9 -2,-0.5 2,-0.3 -0.899 15.0-174.9-129.0 138.4 14.2 -13.9 6.0 20 20 X T E > -L 24 0D 55 4,-1.8 4,-2.1 -2,-0.4 404,-0.0 -0.941 35.4-118.2-128.7 156.2 15.9 -13.1 2.7 21 21 X T T 4 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.937 113.7 30.3 -55.2 -49.5 14.4 -12.6 -0.7 22 22 X S T 4 S+ 0 0 120 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.848 127.4 38.6 -81.3 -33.2 16.2 -15.6 -2.2 23 23 X G T 4 S- 0 0 49 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.567 91.7-148.5 -99.0 -13.9 16.5 -17.9 0.7 24 24 X G E < -L 20 0D 30 -4,-2.1 -4,-1.8 2,-0.0 2,-0.4 -0.390 46.4 -22.2 72.4-155.1 13.2 -17.4 2.4 25 25 X C E -L 19 0D 47 -6,-0.2 -6,-0.2 -2,-0.1 396,-0.1 -0.720 53.7-176.4-102.9 136.3 12.7 -17.7 6.1 26 26 X K E -L 18 0D 139 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.1 -0.990 27.8-112.1-130.2 136.3 14.9 -19.6 8.6 27 27 X P E -L 17 0D 84 0, 0.0 2,-0.4 0, 0.0 -10,-0.3 -0.411 21.0-159.3 -69.4 145.5 14.4 -20.0 12.3 28 28 X L E -L 16 0D 43 -12,-3.2 2,-1.8 -2,-0.1 -12,-1.8 -0.975 22.1-129.8-119.8 137.5 16.5 -18.5 15.0 29 29 X S + 0 0 93 -2,-0.4 -14,-0.1 -14,-0.2 -12,-0.1 -0.371 48.0 164.0 -85.4 59.8 16.6 -20.0 18.5 30 30 X T - 0 0 1 -2,-1.8 -16,-2.6 -16,-0.2 2,-0.2 -0.285 18.2-164.0 -76.0 165.5 15.9 -16.7 20.3 31 31 X K E -DE 13 108B 31 77,-1.9 77,-3.3 -18,-0.3 2,-0.3 -0.767 13.9-121.5-136.7 175.5 14.8 -16.3 23.9 32 32 X V E - E 0 107B 0 -20,-2.4 2,-0.4 75,-0.2 75,-0.2 -0.963 17.3-159.7-126.4 153.1 13.3 -13.6 26.1 33 33 X V E - E 0 106B 0 73,-1.6 73,-2.0 -2,-0.3 2,-0.2 -0.992 22.7-115.4-133.2 134.5 14.6 -12.0 29.3 34 34 X L E - E 0 105B 0 -2,-0.4 71,-0.2 71,-0.2 5,-0.1 -0.461 39.5-105.5 -67.9 134.2 12.7 -10.1 32.0 35 35 X D > - 0 0 0 69,-2.7 3,-1.9 -2,-0.2 4,-0.4 -0.299 27.4-118.7 -59.0 142.3 13.8 -6.4 32.4 36 36 X S G > S+ 0 0 2 129,-2.6 3,-1.4 1,-0.3 130,-0.1 0.755 105.5 70.5 -61.7 -26.3 15.9 -5.8 35.5 37 37 X N G 3 S+ 0 0 21 128,-0.3 -1,-0.3 1,-0.3 128,-0.1 0.749 97.7 51.8 -63.2 -25.2 13.4 -3.3 37.1 38 38 X W G < S+ 0 0 56 -3,-1.9 -1,-0.3 66,-0.2 -2,-0.2 0.551 93.8 100.0 -84.2 -12.6 11.0 -6.2 37.8 39 39 X R S < S- 0 0 7 -3,-1.4 2,-0.2 -4,-0.4 36,-0.1 -0.381 80.7-100.0 -82.7 156.3 13.5 -8.4 39.6 40 40 X W - 0 0 73 35,-0.3 34,-1.7 34,-0.2 2,-0.5 -0.493 36.1-159.6 -59.3 133.0 14.3 -9.2 43.2 41 41 X V E +B 73 0A 2 10,-0.4 9,-2.5 32,-0.2 10,-1.0 -0.989 23.7 156.4-124.0 123.6 17.3 -7.2 44.3 42 42 X H E -BC 72 49A 2 30,-2.3 30,-3.1 -2,-0.5 7,-0.2 -0.913 48.0 -66.6-145.5 164.9 19.1 -8.5 47.3 43 43 X S E > -B 71 0A 9 5,-2.9 3,-1.8 -2,-0.3 28,-0.3 -0.270 41.8-129.8 -55.5 137.9 22.4 -8.6 49.1 44 44 X T T 3 S+ 0 0 72 26,-2.7 -1,-0.2 1,-0.3 -39,-0.1 0.766 107.2 51.7 -59.6 -26.9 25.1 -10.4 47.2 45 45 X S T 3 S- 0 0 115 25,-0.4 -1,-0.3 3,-0.1 2,-0.2 0.436 125.5 -25.7 -95.0 5.3 26.0 -12.4 50.2 46 46 X G S < S- 0 0 21 -3,-1.8 -40,-0.1 2,-0.1 -4,-0.1 -0.687 84.2 -56.8-174.1-136.2 22.5 -13.6 51.1 47 47 X Y S S+ 0 0 153 -2,-0.2 2,-0.2 -5,-0.1 -3,-0.1 0.397 73.9 124.6-123.1 -0.3 18.7 -13.0 50.9 48 48 X T - 0 0 85 1,-0.1 -5,-2.9 -6,-0.1 -2,-0.1 -0.431 63.7-114.3 -68.2 131.6 18.2 -9.6 52.4 49 49 X N B -C 42 0A 56 -7,-0.2 -7,-0.3 -2,-0.2 11,-0.2 -0.383 22.2-169.0 -67.4 138.8 16.4 -7.1 50.1 50 50 X a S S+ 0 0 0 -9,-2.5 7,-2.6 1,-0.3 2,-0.4 0.570 87.0 26.8 -86.9 -20.2 18.2 -4.1 48.8 51 51 X Y E +U 56 0E 15 -10,-1.0 -10,-0.4 5,-0.3 2,-0.4 -0.980 69.5 175.0-144.5 128.0 14.8 -2.7 47.5 52 52 X T E > -U 55 0E 89 3,-2.7 3,-1.7 -2,-0.4 2,-0.8 -0.988 64.4 -29.4-137.6 129.8 11.4 -3.6 49.0 53 53 X G T 3 S- 0 0 30 -2,-0.4 141,-0.0 1,-0.2 3,-0.0 -0.560 127.6 -28.6 69.2-110.5 8.1 -2.0 47.9 54 54 X N T 3 S+ 0 0 25 -2,-0.8 2,-0.4 2,-0.1 -1,-0.2 0.108 121.3 77.3-127.8 20.5 9.2 1.4 46.7 55 55 X E E < -U 52 0E 80 -3,-1.7 -3,-2.7 142,-0.1 2,-0.2 -0.979 65.8-130.3-135.9 149.9 12.2 2.1 48.8 56 56 X W E -U 51 0E 20 -2,-0.4 2,-0.8 -5,-0.2 -5,-0.3 -0.560 30.7-109.9 -87.5 155.3 15.9 1.1 49.0 57 57 X D > - 0 0 57 -7,-2.6 4,-2.8 -2,-0.2 3,-0.1 -0.796 26.4-160.1 -83.0 110.0 17.7 -0.1 52.0 58 58 X T T 4 S+ 0 0 109 -2,-0.8 -1,-0.1 1,-0.2 -8,-0.0 0.671 88.1 61.7 -74.1 -13.7 20.0 2.8 52.8 59 59 X S T 4 S+ 0 0 104 2,-0.2 -1,-0.2 1,-0.1 -9,-0.1 0.949 116.9 28.9 -65.5 -52.8 22.2 0.5 54.8 60 60 X L T 4 S+ 0 0 31 1,-0.2 10,-0.3 -11,-0.2 -2,-0.2 0.785 133.6 38.1 -75.1 -27.4 23.0 -1.7 51.8 61 61 X b < + 0 0 3 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 -0.448 58.4 144.2-128.9 62.1 22.5 1.3 49.4 62 62 X P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.713 82.1 5.0 -72.3 -19.8 23.9 4.6 50.8 63 63 X D S > S- 0 0 66 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.968 84.6 -97.5-154.4 168.3 25.0 5.6 47.3 64 64 X G H > S+ 0 0 14 -2,-0.3 120,-2.2 1,-0.2 4,-1.9 0.839 118.6 43.0 -58.0 -44.0 24.8 4.3 43.8 65 65 X K H > S+ 0 0 145 118,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 114.8 49.4 -74.1 -43.3 28.2 2.6 43.6 66 66 X T H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.907 111.3 51.1 -61.1 -42.0 28.0 1.1 47.0 67 67 X b H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.939 108.2 50.5 -60.6 -49.2 24.5 -0.3 46.2 68 68 X A H < S+ 0 0 2 -4,-1.9 -66,-0.2 1,-0.2 -1,-0.2 0.808 112.6 47.8 -59.8 -31.3 25.6 -1.8 42.9 69 69 X A H < S+ 0 0 57 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 118.1 40.4 -76.5 -32.9 28.5 -3.5 44.7 70 70 X N H < S+ 0 0 55 -4,-2.0 -26,-2.7 -10,-0.3 2,-0.4 0.628 108.1 70.5 -87.4 -19.0 26.3 -4.8 47.5 71 71 X a E < - B 0 43A 0 -4,-1.7 -69,-3.1 -28,-0.3 2,-0.4 -0.883 56.5-163.8-122.5 140.8 23.3 -5.8 45.6 72 72 X A E -aB 2 42A 1 -30,-3.1 -30,-2.3 -2,-0.4 2,-0.3 -0.920 17.2-134.9-122.7 138.5 22.4 -8.6 43.1 73 73 X L E -aB 3 41A 0 -71,-2.4 -69,-3.3 -2,-0.4 2,-0.2 -0.695 33.6-155.1 -79.4 140.5 19.7 -9.1 40.6 74 74 X D - 0 0 0 -34,-1.7 -34,-0.2 -2,-0.3 -66,-0.1 -0.680 19.5 -77.5-120.9 175.7 18.2 -12.6 40.7 75 75 X G - 0 0 9 -68,-1.2 2,-0.4 -2,-0.2 -35,-0.3 -0.135 44.4-132.1 -64.4 161.0 16.4 -15.1 38.5 76 76 X A - 0 0 13 -68,-0.1 2,-1.2 -37,-0.1 -66,-0.4 -0.930 12.0-135.6-122.9 139.0 12.7 -14.9 37.8 77 77 X D >> - 0 0 92 -2,-0.4 4,-2.4 1,-0.2 5,-1.1 -0.803 31.6-165.0 -85.6 96.3 9.8 -17.4 37.9 78 78 X Y H >5S+ 0 0 15 -2,-1.2 6,-2.4 -68,-0.2 4,-0.8 0.910 77.4 27.1 -56.2 -51.6 8.5 -16.1 34.6 79 79 X S H >5S+ 0 0 63 4,-0.3 4,-1.5 3,-0.2 -1,-0.2 0.937 123.7 47.2 -76.3 -47.7 5.0 -17.6 34.8 80 80 X G H 45S+ 0 0 47 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.851 126.5 22.9 -69.6 -37.3 4.4 -17.8 38.5 81 81 X T H <5S+ 0 0 63 -4,-2.4 19,-0.2 3,-0.1 -1,-0.2 0.816 136.6 25.3 -96.6 -35.5 5.5 -14.3 39.4 82 82 X Y H < -V 100 0F 30 3,-2.4 3,-2.9 -2,-0.5 2,-0.1 -0.951 69.2 -55.2-134.8 107.1 -0.1 -11.6 38.6 98 98 X G T 3 S- 0 0 76 -2,-0.5 -17,-0.1 1,-0.3 -16,-0.0 -0.381 122.1 -20.5 55.8-123.1 -0.5 -11.4 42.4 99 99 X S T 3 S+ 0 0 102 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.394 117.1 105.1 -96.8 6.2 1.0 -8.0 43.3 100 100 X N E < -V 97 0F 23 -3,-2.9 -3,-2.4 -19,-0.2 2,-0.5 -0.713 54.1-162.3 -88.4 133.7 3.0 -7.8 40.1 101 101 X V E -V 96 0F 43 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.965 48.8 -31.7-121.2 121.7 1.7 -5.4 37.4 102 102 X G - 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