==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-AUG-03 1OLQ . COMPND 2 MOLECULE: ENDO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI; . AUTHOR M.SANDGREN,P.J.GUALFETTI,A.SHAW,L.S.GROSS,M.SALDAJENO, . 436 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 74.5 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 . 201 46.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 44 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 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 . 0 0 0 0 0 2 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 4 2 4 2 3 1 4 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 106 0, 0.0 34,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 173.4 36.9 24.3 -8.5 2 2 A T E +A 34 0A 89 32,-0.2 2,-0.3 34,-0.0 32,-0.2 -0.918 360.0 159.9-110.9 137.6 38.1 21.6 -10.9 3 3 A S E -A 33 0A 20 30,-2.0 30,-2.2 -2,-0.4 5,-0.0 -0.990 28.6-165.0-151.7 146.8 40.6 21.6 -13.7 4 4 A a + 0 0 67 -2,-0.3 27,-0.4 28,-0.2 2,-0.1 0.256 52.9 129.1-108.8 5.4 42.6 19.0 -15.6 5 5 A D > - 0 0 86 1,-0.1 3,-2.0 28,-0.1 14,-0.2 -0.446 69.8-119.5 -66.4 139.1 45.0 21.7 -17.1 6 6 A Q T 3 S+ 0 0 20 1,-0.3 15,-2.9 -2,-0.1 -1,-0.1 0.799 109.5 29.1 -47.3 -42.1 48.7 20.8 -16.5 7 7 A W T 3 S+ 0 0 72 13,-0.2 -1,-0.3 12,-0.2 -2,-0.1 -0.032 83.6 153.4-117.5 32.3 49.3 24.0 -14.4 8 8 A A < - 0 0 11 -3,-2.0 11,-2.5 10,-0.1 12,-0.5 -0.249 18.1-177.2 -63.1 138.9 46.0 24.6 -12.8 9 9 A T E -B 18 0A 81 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.987 18.1-167.5-140.0 150.1 46.0 26.5 -9.5 10 10 A F E -B 17 0A 34 7,-2.0 7,-2.9 -2,-0.3 2,-0.3 -0.982 18.9-171.5-134.9 123.9 43.4 27.6 -7.0 11 11 A T E +B 16 0A 100 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.896 16.8 135.9-125.2 150.5 44.4 30.0 -4.3 12 12 A G E > +B 15 0A 23 3,-2.6 3,-2.0 -2,-0.3 -2,-0.0 -0.730 62.9 5.8 173.6 133.8 42.9 31.5 -1.1 13 13 A N T 3 S- 0 0 124 1,-0.3 28,-0.2 -2,-0.2 3,-0.1 0.793 127.0 -51.6 62.0 31.6 43.6 32.4 2.5 14 14 A G T 3 S+ 0 0 41 1,-0.3 52,-1.9 51,-0.1 2,-0.3 0.295 118.5 107.2 91.2 -8.8 47.3 31.6 2.3 15 15 A Y E < -BC 12 65A 31 -3,-2.0 -3,-2.6 23,-0.2 2,-0.4 -0.788 47.3-169.3-107.7 145.3 46.6 28.1 0.8 16 16 A T E -BC 11 64A 30 48,-2.4 48,-2.1 -2,-0.3 2,-0.5 -0.990 9.4-160.0-135.7 131.2 47.1 27.0 -2.8 17 17 A V E -BC 10 63A 0 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.4 -0.923 19.5-174.3-107.4 125.5 46.0 23.9 -4.5 18 18 A S E -BC 9 62A 14 44,-3.3 44,-2.6 -2,-0.5 -9,-0.2 -0.961 31.4-155.2-128.2 137.8 48.0 23.0 -7.7 19 19 A N + 0 0 0 -11,-2.5 41,-0.4 -2,-0.4 -12,-0.2 0.910 29.9 177.5 -69.1 -51.5 47.6 20.3 -10.4 20 20 A N + 0 0 34 -12,-0.5 40,-2.1 1,-0.2 2,-2.0 0.864 7.8 174.7 54.0 49.5 51.3 20.6 -11.1 21 21 A L > + 0 0 7 -15,-2.9 3,-1.8 38,-0.2 4,-0.2 -0.367 15.7 157.2 -83.2 61.8 51.4 17.9 -13.8 22 22 A W T 3 + 0 0 16 -2,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.780 68.1 41.1 -65.1 -25.3 55.1 18.9 -14.4 23 23 A G T > S+ 0 0 2 35,-1.7 3,-2.7 -3,-0.3 4,-0.3 0.198 74.1 118.7-105.3 16.3 56.1 15.5 -15.9 24 24 A A G X + 0 0 23 -3,-1.8 3,-2.1 34,-0.5 -1,-0.2 0.858 70.0 63.5 -54.2 -33.8 53.0 14.9 -18.0 25 25 A S G 3 S+ 0 0 43 -3,-0.3 -1,-0.3 1,-0.3 348,-0.1 0.749 93.0 64.1 -63.5 -19.9 55.2 14.9 -21.1 26 26 A A G < S+ 0 0 24 -3,-2.7 345,-0.4 31,-0.2 -1,-0.3 0.532 114.2 15.5 -79.9 -5.5 57.0 11.8 -19.8 27 27 A G S < S- 0 0 6 -3,-2.1 345,-0.7 -4,-0.3 346,-0.4 -0.624 75.7 -96.6-145.1-159.4 53.8 9.8 -20.0 28 28 A S E S+ D 0 51A 34 23,-1.9 23,-1.9 343,-0.4 2,-0.3 -0.997 73.4 44.4-137.5 125.1 50.3 9.2 -21.2 29 29 A G E S- D 0 50A 42 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.999 72.3 -88.4 145.8-139.4 47.1 9.9 -19.4 30 30 A F E - D 0 49A 88 19,-2.4 19,-2.4 -2,-0.3 2,-0.3 -0.974 12.0-142.8-164.1 168.7 45.8 12.9 -17.3 31 31 A G E - D 0 48A 0 -27,-0.4 2,-0.4 -2,-0.3 17,-0.2 -0.969 13.8-174.8-147.2 128.0 45.4 14.6 -14.0 32 32 A a E - D 0 47A 20 15,-3.3 15,-3.1 -2,-0.3 2,-0.4 -0.947 6.2-164.7-122.0 142.5 42.5 16.5 -12.6 33 33 A V E -AD 3 46A 0 -30,-2.2 -30,-2.0 -2,-0.4 2,-0.4 -0.979 3.8-162.0-127.1 140.6 42.4 18.4 -9.3 34 34 A T E -AD 2 45A 20 11,-2.7 11,-1.8 -2,-0.4 2,-0.7 -0.990 7.9-155.4-121.6 123.2 39.5 19.7 -7.4 35 35 A A E + D 0 44A 5 -34,-3.0 9,-0.2 -2,-0.4 3,-0.1 -0.897 17.5 175.1 -95.1 113.5 39.8 22.3 -4.7 36 36 A V E - 0 0 88 7,-2.8 2,-0.3 -2,-0.7 8,-0.2 0.855 65.2 -4.3 -86.2 -46.1 36.8 21.7 -2.4 37 37 A S E - D 0 43A 43 6,-2.0 6,-2.9 1,-0.1 -1,-0.4 -0.991 40.1-177.4-151.2 144.3 37.7 24.3 0.2 38 38 A L > + 0 0 19 -2,-0.3 2,-0.6 4,-0.2 3,-0.5 0.076 57.6 111.9-122.2 20.4 40.4 26.6 1.0 39 39 A S T 3 S- 0 0 87 1,-0.3 -26,-0.1 4,-0.1 -27,-0.0 -0.830 91.6 -6.5-103.2 119.9 38.9 27.8 4.3 40 40 A G T 3 S- 0 0 80 -2,-0.6 -1,-0.3 -27,-0.1 2,-0.2 0.955 140.5 -22.1 63.2 49.0 40.5 26.9 7.5 41 41 A G S < S- 0 0 5 -3,-0.5 2,-0.4 -28,-0.2 173,-0.2 -0.498 94.8 -61.2 110.1 180.0 43.0 24.7 5.6 42 42 A A E - E 0 213A 1 171,-3.3 171,-1.7 -2,-0.2 2,-0.4 -0.892 37.6-175.3-108.7 136.8 42.9 23.0 2.3 43 43 A S E +D 37 0A 26 -6,-2.9 -7,-2.8 -2,-0.4 -6,-2.0 -0.989 29.7 134.6-125.9 119.5 40.4 20.3 1.2 44 44 A W E -DE 35 210A 0 166,-2.1 166,-3.3 -2,-0.4 2,-0.3 -0.959 36.4-146.7-158.6 166.1 41.0 18.8 -2.2 45 45 A H E -DE 34 209A 49 -11,-1.8 -11,-2.7 -2,-0.3 2,-0.4 -0.995 7.8-150.9-145.6 150.4 41.2 15.6 -4.3 46 46 A A E -DE 33 208A 0 162,-2.0 162,-2.4 -2,-0.3 2,-0.4 -0.982 7.5-168.7-123.6 132.0 43.3 14.5 -7.3 47 47 A D E +DE 32 207A 45 -15,-3.1 -15,-3.3 -2,-0.4 2,-0.3 -0.983 23.6 154.5-123.6 127.8 42.1 12.1 -10.0 48 48 A W E -DE 31 206A 5 158,-3.0 158,-2.7 -2,-0.4 2,-0.3 -0.985 32.2-162.8-152.2 161.2 44.6 10.7 -12.4 49 49 A Q E +DE 30 205A 96 -19,-2.4 -19,-2.4 -2,-0.3 2,-0.4 -0.958 19.7 173.3-146.7 128.0 45.8 8.0 -14.8 50 50 A W E +DE 29 204A 10 154,-2.7 154,-2.6 -2,-0.3 2,-0.3 -0.998 6.5 173.8-137.0 140.2 49.3 7.6 -16.1 51 51 A S E +D 28 0A 59 -23,-1.9 -23,-1.9 -2,-0.4 321,-0.1 -0.946 48.1 33.7-137.7 159.1 51.1 5.0 -18.1 52 52 A G S S+ 0 0 41 -2,-0.3 4,-0.2 -25,-0.2 -24,-0.1 0.014 80.4 70.4 86.7 167.4 54.6 4.9 -19.6 53 53 A G > - 0 0 31 1,-0.1 3,-2.8 2,-0.1 -27,-0.1 0.935 65.2-162.9 49.5 53.3 57.8 6.4 -18.2 54 54 A Q T 3 S+ 0 0 94 1,-0.3 -1,-0.1 3,-0.0 149,-0.1 0.726 80.9 31.5 -34.9 -45.2 57.9 3.8 -15.4 55 55 A N T 3 S+ 0 0 126 2,-0.1 2,-0.5 147,-0.1 -1,-0.3 0.286 99.6 94.7-109.9 14.4 60.4 5.6 -13.2 56 56 A N S < S- 0 0 57 -3,-2.8 2,-0.2 -4,-0.2 -33,-0.0 -0.895 74.1-121.9-110.7 133.9 59.6 9.2 -14.0 57 57 A V - 0 0 18 -2,-0.5 145,-0.2 1,-0.1 -31,-0.2 -0.496 21.4-171.7 -69.3 132.8 57.2 11.3 -11.9 58 58 A K - 0 0 0 143,-3.3 -35,-1.7 1,-0.3 -34,-0.5 0.747 64.6 -3.3 -96.2 -29.1 54.3 12.7 -14.0 59 59 A S E - F 0 201A 0 142,-0.9 142,-2.0 -37,-0.2 -1,-0.3 -0.987 39.4-154.7-160.0 158.5 52.9 15.0 -11.4 60 60 A Y E - F 0 200A 13 -40,-2.1 140,-0.2 -41,-0.4 2,-0.1 -0.573 24.9-170.7-135.8 69.4 53.0 16.4 -7.9 61 61 A Q E + F 0 199A 0 138,-1.0 138,-2.0 -2,-0.1 2,-0.3 -0.443 28.1 156.3 -58.8 135.9 49.5 17.5 -7.3 62 62 A N E -CF 18 198A 2 -44,-2.6 -44,-3.3 136,-0.2 2,-0.4 -0.982 47.0-130.6-160.5 164.4 49.6 19.4 -4.0 63 63 A S E +CF 17 197A 0 134,-2.8 134,-2.5 -2,-0.3 2,-0.3 -0.933 34.8 168.5-115.5 144.2 48.5 21.9 -1.5 64 64 A Q E -CF 16 196A 54 -48,-2.1 -48,-2.4 -2,-0.4 2,-0.3 -0.942 27.1-121.1-149.4 168.9 50.9 24.4 0.0 65 65 A I E -C 15 0A 16 130,-1.6 130,-0.3 -2,-0.3 -50,-0.2 -0.859 29.8-108.5-115.0 152.8 51.0 27.6 2.1 66 66 A A - 0 0 63 -52,-1.9 128,-0.1 -2,-0.3 -50,-0.0 -0.499 21.3-162.5 -76.7 148.9 52.4 30.9 1.3 67 67 A I + 0 0 16 -2,-0.2 3,-0.1 126,-0.1 -1,-0.1 -0.763 12.8 174.4-131.2 82.4 55.6 32.0 3.0 68 68 A P S S+ 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.870 74.0 33.3 -62.0 -36.3 55.8 35.7 2.6 69 69 A Q S S- 0 0 99 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.979 83.1-137.0-123.6 116.6 58.9 36.1 4.8 70 70 A K - 0 0 66 -2,-0.5 2,-0.3 36,-0.1 123,-0.1 -0.475 25.7-176.5 -74.8 143.5 61.6 33.4 4.9 71 71 A R - 0 0 83 121,-0.4 121,-2.1 -2,-0.1 2,-0.1 -0.933 29.6 -97.1-136.6 154.4 62.9 32.4 8.4 72 72 A T B > -G 191 0A 21 -2,-0.3 4,-1.0 119,-0.2 3,-0.3 -0.431 32.1-118.3 -72.3 153.5 65.7 30.0 9.6 73 73 A V T >4 S+ 0 0 0 117,-2.8 3,-1.0 114,-0.5 115,-0.2 0.929 114.6 49.5 -55.3 -50.0 64.7 26.6 10.8 74 74 A N T 34 S+ 0 0 71 113,-1.7 -1,-0.2 1,-0.3 114,-0.1 0.783 106.6 56.4 -62.0 -29.9 66.0 27.3 14.4 75 75 A S T 34 S+ 0 0 54 112,-0.3 2,-0.3 -3,-0.3 -1,-0.3 0.707 90.6 87.1 -75.2 -20.6 64.2 30.7 14.5 76 76 A I << - 0 0 2 -4,-1.0 3,-0.1 -3,-1.0 141,-0.0 -0.642 62.3-162.7 -80.7 134.4 60.9 28.9 13.9 77 77 A S - 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