==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-DEC-02 1OA4 . COMPND 2 MOLECULE: ENDO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP. 11AG8; . AUTHOR M.SANDGREN,P.J.GUALFETTI,A.SHAW,L.S.GROSS,M.SALDAJENO, . 222 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 42.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 3 2 1 3 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 0 0 0 1 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 A N 0 0 158 0, 0.0 2,-0.5 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 126.0 56.0 -37.3 13.1 2 2 A Q E -A 34 0A 88 32,-2.1 32,-3.2 2,-0.0 2,-0.5 -0.985 360.0-148.6-120.8 123.6 52.7 -38.9 12.2 3 3 A Q E -A 33 0A 131 -2,-0.5 2,-0.5 30,-0.2 30,-0.2 -0.778 14.6-171.8 -88.9 130.2 50.2 -37.4 9.9 4 4 A I E +A 32 0A 11 28,-2.9 28,-2.6 -2,-0.5 7,-0.0 -0.987 23.2 151.2-124.1 119.2 46.6 -38.3 10.6 5 5 A a + 0 0 38 -2,-0.5 25,-0.5 26,-0.2 -1,-0.1 0.567 36.9 113.3-117.3 -20.9 43.9 -37.3 8.1 6 6 A D S > S- 0 0 126 1,-0.1 3,-2.0 2,-0.1 17,-0.2 -0.251 79.0-113.4 -56.2 141.0 41.2 -40.0 8.7 7 7 A R T 3 S+ 0 0 105 1,-0.3 16,-2.9 15,-0.1 -1,-0.1 0.845 111.8 18.5 -43.0 -53.3 38.1 -38.6 10.2 8 8 A Y T 3 S+ 0 0 135 14,-0.2 -1,-0.3 13,-0.1 -2,-0.1 -0.043 90.3 147.0-115.9 31.8 38.5 -40.3 13.6 9 9 A G < + 0 0 14 -3,-2.0 12,-2.5 11,-0.1 13,-0.5 -0.346 21.3 176.2 -64.4 143.7 42.1 -41.2 13.4 10 10 A T E +F 20 0B 59 10,-0.2 2,-0.2 11,-0.1 10,-0.2 -0.942 15.7 167.8-142.8 166.8 44.0 -41.3 16.7 11 11 A T E -F 19 0B 32 8,-2.0 8,-2.5 -2,-0.3 2,-0.3 -0.852 30.6-107.2-157.0-171.7 47.4 -42.1 18.2 12 12 A T E -F 18 0B 62 6,-0.2 2,-0.3 -2,-0.2 6,-0.2 -0.929 15.4-153.1-126.2 157.2 49.2 -41.5 21.5 13 13 A I E >> S+F 17 0B 5 4,-2.3 4,-2.3 -2,-0.3 3,-2.2 -0.964 80.1 3.8-122.5 147.1 52.0 -39.2 22.8 14 14 A Q T 34 S- 0 0 97 22,-0.4 -1,-0.1 -2,-0.3 23,-0.1 0.664 113.2 -85.5 59.5 19.7 54.3 -39.9 25.7 15 15 A D T 34 S+ 0 0 102 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.864 125.9 74.9 47.9 40.1 52.6 -43.3 26.0 16 16 A R T <4 S+ 0 0 35 -3,-2.2 2,-0.4 1,-0.4 -2,-0.2 0.559 82.3 48.9-148.3 -31.2 50.1 -41.4 28.1 17 17 A Y E < -F 13 0B 19 -4,-2.3 -4,-2.3 53,-0.1 2,-0.4 -0.952 66.3-128.8-128.1 147.0 47.7 -39.2 26.1 18 18 A V E -FG 12 61B 1 43,-2.1 43,-2.6 -2,-0.4 2,-0.4 -0.747 15.8-159.1 -91.0 136.6 45.5 -39.8 23.1 19 19 A V E -FG 11 60B 0 -8,-2.5 -8,-2.0 -2,-0.4 2,-0.4 -0.981 15.4-172.3-114.5 131.2 45.7 -37.4 20.2 20 20 A Q E -FG 10 59B 10 39,-2.8 39,-1.8 -2,-0.4 -10,-0.2 -0.974 32.7-153.3-131.7 137.1 42.6 -37.4 17.9 21 21 A N - 0 0 0 -12,-2.5 36,-0.3 -2,-0.4 -13,-0.1 0.886 31.8-178.4 -69.7 -40.9 41.8 -35.7 14.6 22 22 A N + 0 0 12 -13,-0.5 35,-2.3 1,-0.2 2,-1.7 0.853 6.0 176.3 44.2 57.4 38.1 -35.9 15.7 23 23 A R > + 0 0 34 -16,-2.9 3,-0.6 33,-0.2 -1,-0.2 -0.452 19.9 146.6 -92.6 67.3 36.7 -34.4 12.5 24 24 A W T 3 + 0 0 96 -2,-1.7 32,-0.2 1,-0.2 -1,-0.2 0.666 58.4 52.0 -81.8 -15.7 33.1 -34.7 13.5 25 25 A G T 3 S+ 0 0 26 30,-2.2 2,-0.3 -3,-0.2 -1,-0.2 0.210 105.5 33.5-113.2 14.0 31.5 -31.7 11.9 26 26 A T < - 0 0 24 -3,-0.6 4,-0.1 29,-0.4 22,-0.0 -0.985 52.6-142.1-160.9 160.2 32.5 -31.8 8.2 27 27 A S S S+ 0 0 112 -2,-0.3 2,-0.1 2,-0.1 3,-0.1 0.511 73.9 107.2 -97.4 -13.0 33.3 -34.0 5.2 28 28 A A S S- 0 0 26 17,-0.1 2,-0.1 1,-0.1 -2,-0.1 -0.418 84.6 -88.8 -69.7 145.7 36.1 -31.6 4.1 29 29 A T + 0 0 60 -2,-0.1 16,-2.5 15,-0.1 2,-0.4 -0.281 47.3 174.9 -66.5 129.7 39.6 -32.9 4.6 30 30 A Q E - B 0 44A 2 -25,-0.5 2,-0.3 14,-0.2 14,-0.2 -1.000 3.0-178.9-131.5 135.1 41.5 -32.2 7.9 31 31 A a E - B 0 43A 0 12,-2.0 12,-1.9 -2,-0.4 11,-1.8 -0.969 9.4-162.9-130.8 147.8 44.9 -33.5 8.9 32 32 A I E -AB 4 41A 0 -28,-2.6 -28,-2.9 -2,-0.3 2,-0.6 -0.921 14.2-142.2-122.5 151.4 47.0 -33.2 12.0 33 33 A N E -AB 3 40A 37 7,-2.5 7,-1.8 -2,-0.3 2,-0.5 -0.980 20.4-152.9-112.6 114.9 50.7 -33.9 12.3 34 34 A V E -AB 2 39A 6 -32,-3.2 -32,-2.1 -2,-0.6 5,-0.2 -0.797 14.8-178.2 -95.2 122.7 51.5 -35.5 15.7 35 35 A T - 0 0 60 3,-2.0 -1,-0.0 -2,-0.5 3,-0.0 -0.231 49.1 -80.7-100.5-165.5 54.9 -35.0 17.2 36 36 A G S S+ 0 0 51 1,-0.2 -22,-0.4 -2,-0.1 3,-0.1 0.774 125.3 23.4 -72.2 -21.3 56.3 -36.4 20.5 37 37 A N S S- 0 0 93 -24,-0.1 179,-0.3 176,-0.1 2,-0.3 0.427 128.5 -23.4-126.3 -1.8 54.6 -33.7 22.7 38 38 A G - 0 0 0 177,-0.1 -3,-2.0 2,-0.0 2,-0.3 -0.895 63.6-101.5-179.0-157.5 51.7 -32.3 20.8 39 39 A F E -BC 34 213A 3 174,-1.3 174,-2.6 -2,-0.3 2,-0.4 -0.982 11.4-144.5-152.8 163.2 50.2 -31.7 17.3 40 40 A E E -BC 33 212A 64 -7,-1.8 -7,-2.5 -2,-0.3 2,-0.7 -0.976 26.4-119.9-128.4 139.4 49.8 -29.1 14.6 41 41 A I E +B 32 0A 0 170,-3.1 169,-2.8 -2,-0.4 -9,-0.3 -0.749 37.2 170.0 -78.0 116.6 46.8 -28.8 12.3 42 42 A T E + 0 0 55 -11,-1.8 2,-0.3 -2,-0.7 -10,-0.2 0.621 65.6 28.2-106.0 -18.7 48.3 -29.2 8.8 43 43 A Q E +B 31 0A 66 -12,-1.9 -12,-2.0 165,-0.1 -1,-0.3 -0.983 56.1 159.7-140.0 135.1 45.2 -29.4 6.6 44 44 A A E -B 30 0A 8 -2,-0.3 163,-0.3 -14,-0.2 -14,-0.2 -0.378 20.7-176.3-151.9 62.8 41.9 -27.8 7.5 45 45 A D + 0 0 75 -16,-2.5 -17,-0.1 161,-0.1 -2,-0.1 -0.171 42.1 4.5 -64.4 154.4 39.8 -27.5 4.4 46 46 A G - 0 0 45 -19,-0.1 161,-0.9 160,-0.1 2,-0.3 0.093 66.4-114.3 70.3-177.4 36.4 -25.8 4.2 47 47 A S B -H 206 0B 80 159,-0.2 159,-0.2 7,-0.1 158,-0.1 -0.972 12.2-152.8-155.1 160.7 34.2 -23.9 6.6 48 48 A V - 0 0 31 157,-2.1 7,-0.1 -2,-0.3 4,-0.1 -0.953 43.5 -73.4-137.5 157.6 30.9 -24.1 8.4 49 49 A P > - 0 0 86 0, 0.0 3,-1.9 0, 0.0 157,-0.0 -0.214 32.6-139.0 -54.7 133.3 28.5 -21.5 9.7 50 50 A T T 3 S+ 0 0 57 1,-0.3 82,-0.4 81,-0.1 156,-0.0 0.627 101.9 62.2 -70.6 -9.9 29.7 -19.6 12.8 51 51 A N T 3 S+ 0 0 152 80,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.359 108.6 47.4 -93.8 7.5 26.2 -19.8 14.3 52 52 A G S < S- 0 0 35 -3,-1.9 -4,-0.1 1,-0.2 0, 0.0 -0.496 105.3 -47.9-127.5-164.3 26.4 -23.5 14.3 53 53 A A - 0 0 54 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.312 60.3-109.5 -67.5 156.7 28.7 -26.3 15.3 54 54 A P - 0 0 9 0, 0.0 151,-0.2 0, 0.0 -1,-0.1 -0.140 27.1-105.4 -76.9 176.6 32.4 -26.2 14.3 55 55 A K S S- 0 0 2 149,-3.0 -30,-2.2 1,-0.2 -29,-0.4 0.744 85.6 -40.2 -71.4 -27.3 34.2 -28.5 11.8 56 56 A S - 0 0 0 148,-0.5 -33,-0.2 -32,-0.2 -1,-0.2 -0.982 42.6-115.9-179.9 176.4 35.9 -30.6 14.4 57 57 A Y - 0 0 1 -35,-2.3 146,-0.2 -36,-0.3 2,-0.2 -0.468 26.9-175.1-143.9 70.7 37.7 -30.8 17.7 58 58 A P + 0 0 0 0, 0.0 144,-1.9 0, 0.0 2,-0.3 -0.486 31.9 144.0 -65.0 133.6 41.3 -32.0 17.1 59 59 A S E -GI 20 201B 0 -39,-1.8 -39,-2.8 142,-0.2 2,-0.4 -0.963 50.3-119.3-165.7 168.6 42.7 -32.5 20.6 60 60 A V E +GI 19 200B 0 140,-2.5 140,-2.7 -2,-0.3 2,-0.3 -0.937 40.3 177.0-121.5 144.5 44.8 -34.3 23.0 61 61 A Y E -GI 18 199B 1 -43,-2.6 -43,-2.1 -2,-0.4 2,-0.3 -0.984 33.1-141.7-152.5 163.7 43.3 -35.9 26.1 62 62 A D E S+ I 0 198B 0 136,-2.4 136,-2.1 -2,-0.3 2,-0.2 -0.829 74.6 27.7-113.9 153.5 43.5 -38.0 29.3 63 63 A G E S- I 0 197B 0 -2,-0.3 7,-2.7 134,-0.2 2,-0.4 -0.582 100.6 -43.7 93.6-158.9 40.6 -40.3 30.2 64 64 A b E +P 69 0C 5 132,-2.5 2,-0.4 5,-0.3 5,-0.2 -0.963 42.5 179.1-121.4 133.7 38.2 -42.1 27.9 65 65 A H E > S-P 68 0C 24 3,-2.0 3,-1.9 -2,-0.4 49,-0.1 -0.979 79.6 -20.6-135.4 114.7 36.4 -40.8 24.9 66 66 A Y T 3 S- 0 0 117 -2,-0.4 48,-0.3 49,-0.4 -1,-0.1 0.887 128.0 -51.8 48.0 48.2 34.1 -43.2 23.0 67 67 A G T 3 S+ 0 0 38 46,-2.8 2,-0.8 1,-0.2 -1,-0.3 0.280 112.0 118.7 79.8 -9.3 36.0 -46.2 24.4 68 68 A N E < -P 65 0C 55 -3,-1.9 -3,-2.0 45,-0.1 2,-0.4 -0.801 47.2-170.7 -93.3 106.9 39.4 -44.9 23.5 69 69 A b E -P 64 0C 53 -2,-0.8 -5,-0.3 -5,-0.2 3,-0.1 -0.832 23.6-116.8-108.0 137.0 41.3 -44.5 26.8 70 70 A A > - 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