==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-FEB-01 1H8V . COMPND 2 MOLECULE: ENDO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI; . AUTHOR M.SANDGREN,A.SHAW,T.H.ROPP,S.WU,R.BOTT,A.D.CAMERON, . 1308 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 978 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 585 44.7 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 . 18 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 . 141 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 5.0 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 6 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 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 PARALLEL BRIDGES PER LADDER . 6 11 6 17 6 6 3 10 12 0 0 6 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 1 5 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,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 179.7 63.1 -9.6 47.5 2 2 A T E +A 34 0A 88 32,-0.2 2,-0.3 34,-0.0 32,-0.2 -0.928 360.0 157.3-127.5 148.6 65.3 -6.5 47.5 3 3 A S E -A 33 0A 19 30,-1.6 30,-2.7 -2,-0.3 0, 0.0 -0.951 30.7-164.7-166.2 147.1 68.0 -5.3 45.1 4 4 A a + 0 0 65 -2,-0.3 27,-0.4 28,-0.3 -1,-0.1 0.290 51.0 132.0-115.5 2.6 69.7 -2.0 44.1 5 5 A D > - 0 0 120 1,-0.1 3,-1.6 28,-0.1 16,-0.2 -0.308 68.7-116.3 -58.0 137.0 71.2 -3.6 41.0 6 6 A Q T 3 S+ 0 0 82 1,-0.3 15,-2.5 14,-0.1 -1,-0.1 0.810 107.5 23.2 -44.5 -45.1 70.6 -1.3 38.0 7 7 A W T 3 S+ 0 0 149 13,-0.2 -1,-0.3 12,-0.1 -2,-0.1 0.068 84.4 148.0-117.1 27.6 68.4 -3.8 36.0 8 8 A A < - 0 0 17 -3,-1.6 11,-2.6 10,-0.1 12,-0.5 -0.297 21.5-175.9 -63.9 142.5 67.0 -6.1 38.7 9 9 A T E -B 18 0A 77 9,-0.2 2,-0.5 10,-0.1 9,-0.2 -0.996 16.8-161.0-141.6 143.3 63.5 -7.5 38.2 10 10 A F E -B 17 0A 32 7,-2.8 7,-3.2 -2,-0.3 2,-0.3 -0.991 20.4-177.2-126.1 117.9 61.3 -9.6 40.3 11 11 A T E +B 16 0A 99 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.890 15.6 129.4-120.5 150.5 58.5 -11.4 38.4 12 12 A G E > +B 15 0A 28 3,-2.6 3,-1.3 -2,-0.3 -2,-0.0 -0.728 60.9 17.1 167.6 140.3 55.7 -13.7 39.5 13 13 A N T 3 S- 0 0 122 1,-0.3 27,-0.2 -2,-0.2 28,-0.1 0.828 128.7 -51.9 57.1 37.5 51.9 -14.2 39.2 14 14 A G T 3 S+ 0 0 43 1,-0.2 52,-2.1 51,-0.1 2,-0.3 0.580 119.4 99.4 79.8 8.5 51.6 -12.0 36.2 15 15 A Y E < -BC 12 65A 25 -3,-1.3 -3,-2.6 50,-0.2 2,-0.4 -0.945 50.4-164.0-127.8 150.8 53.4 -9.0 37.7 16 16 A T E -BC 11 64A 28 48,-2.6 48,-2.1 -2,-0.3 2,-0.5 -0.995 5.3-159.8-137.1 129.4 56.9 -7.7 37.5 17 17 A V E -BC 10 63A 0 -7,-3.2 -7,-2.8 -2,-0.4 2,-0.4 -0.939 19.4-173.0-107.4 127.4 58.7 -5.2 39.7 18 18 A S E -BC 9 62A 11 44,-3.1 44,-1.9 -2,-0.5 -9,-0.2 -0.960 32.0-156.8-127.2 141.6 61.8 -3.6 38.1 19 19 A N + 0 0 0 -11,-2.6 41,-0.4 -2,-0.4 -1,-0.2 0.938 30.5 176.5 -74.2 -49.4 64.5 -1.3 39.4 20 20 A N + 0 0 36 -12,-0.5 40,-1.9 1,-0.2 2,-1.7 0.897 5.6 178.8 46.9 56.8 65.0 -0.0 35.9 21 21 A L > + 0 0 7 -15,-2.5 3,-1.3 38,-0.2 -1,-0.2 -0.436 17.8 153.3 -85.6 63.0 67.7 2.6 36.7 22 22 A W T 3 S+ 0 0 133 -2,-1.7 3,-0.3 1,-0.3 37,-0.2 0.729 70.6 45.3 -66.7 -22.7 68.1 3.6 33.0 23 23 A G T > S+ 0 0 5 35,-1.8 3,-1.6 -3,-0.2 -1,-0.3 0.118 71.3 116.1-108.9 22.1 69.2 7.1 33.9 24 24 A A G X S+ 0 0 25 -3,-1.3 3,-1.3 1,-0.3 -1,-0.2 0.791 70.8 65.8 -58.4 -27.9 71.7 6.3 36.7 25 25 A S G 3 S+ 0 0 119 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.767 89.5 67.7 -63.8 -28.7 74.4 7.7 34.4 26 26 A A G < S+ 0 0 34 -3,-1.6 2,-0.2 31,-0.2 -1,-0.2 0.531 111.4 1.3 -72.8 -9.3 72.8 11.2 34.7 27 27 A G S < S- 0 0 27 -3,-1.3 2,-0.4 -4,-0.2 25,-0.2 -0.846 76.7 -84.2-156.9-166.4 73.6 11.7 38.4 28 28 A S E S+ D 0 51A 79 23,-2.5 23,-1.6 -2,-0.2 2,-0.3 -0.962 77.1 53.3-116.7 130.4 75.1 10.5 41.7 29 29 A G E - D 0 50A 43 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.998 67.7 -89.6 151.2-153.6 73.2 8.2 43.9 30 30 A F E - D 0 49A 86 19,-2.2 19,-2.0 -2,-0.3 2,-0.3 -0.971 12.5-151.9-156.7 167.9 71.3 4.9 44.0 31 31 A G E - D 0 48A 0 -27,-0.4 2,-0.3 -2,-0.3 17,-0.2 -0.982 13.6-178.2-148.3 132.0 67.9 3.2 43.6 32 32 A a E - D 0 47A 16 15,-3.1 15,-2.8 -2,-0.3 2,-0.4 -0.974 8.7-157.3-131.5 149.4 66.7 0.0 45.3 33 33 A V E -AD 3 46A 0 -30,-2.7 -30,-1.6 -2,-0.3 2,-0.5 -0.969 1.3-163.0-128.9 142.8 63.4 -1.8 44.8 34 34 A T E -AD 2 45A 21 11,-2.6 11,-2.1 -2,-0.4 2,-0.7 -0.981 6.5-156.7-128.3 120.3 61.6 -4.2 47.2 35 35 A A E + D 0 44A 5 -34,-2.6 9,-0.2 -2,-0.5 3,-0.1 -0.862 15.0 175.4 -95.7 112.3 58.9 -6.6 46.1 36 36 A V E - 0 0 92 7,-2.1 2,-0.3 -2,-0.7 8,-0.2 0.939 66.3 -12.0 -81.8 -52.2 56.8 -7.5 49.1 37 37 A S E - D 0 43A 53 6,-1.9 6,-3.2 1,-0.0 -1,-0.3 -0.987 42.1-172.2-153.2 142.2 54.1 -9.5 47.5 38 38 A L + 0 0 20 -2,-0.3 2,-0.7 4,-0.2 3,-0.4 0.061 49.0 124.7-120.4 21.8 52.9 -10.2 43.9 39 39 A S S S- 0 0 85 1,-0.2 -26,-0.1 4,-0.1 -25,-0.1 -0.759 91.3 -16.7 -90.2 115.8 49.8 -12.1 44.7 40 40 A G S S- 0 0 75 -2,-0.7 2,-0.3 -27,-0.2 -1,-0.2 0.664 142.1 -8.3 67.1 16.1 46.6 -10.7 43.2 41 41 A G S S- 0 0 7 -3,-0.4 2,-0.5 -28,-0.1 173,-0.2 -0.895 92.2 -71.3 151.0-177.2 48.5 -7.5 42.6 42 42 A A - 0 0 2 171,-2.9 2,-0.5 -2,-0.3 171,-0.4 -0.945 31.4-177.9-119.6 125.5 51.8 -5.9 43.4 43 43 A S E +D 37 0A 34 -6,-3.2 -7,-2.1 -2,-0.5 -6,-1.9 -0.982 34.8 124.7-116.3 117.6 52.9 -4.6 46.8 44 44 A W E -DE 35 210A 0 166,-1.6 166,-3.1 -2,-0.5 2,-0.3 -0.945 41.4-138.6-160.0 177.0 56.3 -3.0 46.7 45 45 A H E -DE 34 209A 46 -11,-2.1 -11,-2.6 -2,-0.3 2,-0.4 -0.993 6.3-147.3-152.0 146.6 58.4 0.0 47.5 46 46 A A E -DE 33 208A 0 162,-2.1 162,-2.4 -2,-0.3 2,-0.4 -0.940 12.4-168.4-115.7 135.7 61.2 2.0 45.8 47 47 A D E +DE 32 207A 41 -15,-2.8 -15,-3.1 -2,-0.4 2,-0.3 -0.960 18.0 154.3-123.5 141.4 64.0 3.8 47.7 48 48 A W E -DE 31 206A 5 158,-2.4 158,-2.3 -2,-0.4 2,-0.3 -0.989 30.0-162.2-160.4 167.9 66.4 6.2 46.2 49 49 A Q E +DE 30 205A 109 -19,-2.0 -19,-2.2 -2,-0.3 2,-0.3 -0.907 23.4 173.2-156.1 122.2 68.7 9.2 46.5 50 50 A W E +DE 29 204A 12 154,-2.5 154,-2.5 -2,-0.3 2,-0.3 -0.992 11.5 179.9-139.6 147.5 70.0 11.2 43.6 51 51 A S E +D 28 0A 62 -23,-1.6 -23,-2.5 -2,-0.3 -2,-0.0 -0.964 52.0 28.2-140.1 153.3 72.0 14.4 42.9 52 52 A G S S+ 0 0 44 -2,-0.3 4,-0.2 -25,-0.2 -26,-0.1 -0.033 79.5 77.0 82.8 169.3 73.0 16.1 39.7 53 53 A G > - 0 0 26 2,-0.1 3,-2.5 1,-0.1 -27,-0.1 0.964 64.0-163.0 52.8 56.2 71.2 16.1 36.3 54 54 A Q T 3 S+ 0 0 84 1,-0.3 -1,-0.1 3,-0.0 149,-0.1 0.800 83.4 23.6 -38.2 -49.2 68.6 18.5 37.6 55 55 A N T 3 S+ 0 0 109 147,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.043 100.0 104.5-113.8 28.7 66.1 17.8 34.8 56 56 A N S < S- 0 0 93 -3,-2.5 2,-0.1 -4,-0.2 -33,-0.0 -0.940 70.1-128.1-111.7 121.0 67.2 14.3 33.8 57 57 A V - 0 0 22 -2,-0.5 145,-0.2 1,-0.1 -31,-0.2 -0.443 15.7-160.5 -64.3 136.2 65.1 11.4 35.0 58 58 A K - 0 0 0 143,-2.6 -35,-1.8 1,-0.3 2,-0.3 0.692 59.9 -34.1 -93.8 -20.0 67.3 8.8 36.7 59 59 A S - 0 0 0 142,-0.5 -1,-0.3 -37,-0.2 -38,-0.2 -0.981 41.0-122.4-179.0 178.8 65.0 5.8 36.5 60 60 A Y - 0 0 5 -40,-1.9 2,-0.3 -41,-0.4 140,-0.2 -0.591 25.8-171.0-144.6 72.6 61.5 4.4 36.4 61 61 A Q E + F 0 199A 0 138,-0.9 138,-1.8 -2,-0.1 2,-0.3 -0.551 31.6 156.4 -64.3 128.9 61.3 1.8 39.2 62 62 A N E -CF 18 198A 1 -44,-1.9 -44,-3.1 -2,-0.3 2,-0.4 -0.975 47.5-130.1-155.7 167.0 57.9 0.3 38.5 63 63 A S E +CF 17 197A 0 134,-2.6 134,-2.1 -2,-0.3 2,-0.3 -0.942 34.7 172.5-118.6 140.6 55.5 -2.6 38.7 64 64 A Q E -CF 16 196A 42 -48,-2.1 -48,-2.6 -2,-0.4 2,-0.3 -0.955 27.2-117.8-145.7 163.2 53.8 -3.9 35.5 65 65 A I E -C 15 0A 13 130,-1.4 130,-0.4 -2,-0.3 -50,-0.2 -0.761 32.9-105.9-104.8 151.7 51.6 -6.7 34.4 66 66 A A - 0 0 59 -52,-2.1 128,-0.1 -2,-0.3 -1,-0.0 -0.458 24.1-161.4 -73.1 146.6 52.4 -9.3 31.8 67 67 A I - 0 0 18 1,-0.1 3,-0.1 126,-0.1 -1,-0.1 -0.725 9.4-179.5-132.5 81.5 50.7 -8.9 28.4 68 68 A P S S+ 0 0 108 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.830 75.5 25.7 -47.5 -45.1 51.0 -12.4 26.7 69 69 A Q S S- 0 0 120 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.964 83.4-130.8-132.7 116.8 49.2 -11.2 23.5 70 70 A K - 0 0 65 -2,-0.4 2,-0.3 36,-0.2 123,-0.1 -0.429 27.8-172.5 -67.9 132.4 49.1 -7.6 22.4 71 71 A R - 0 0 80 121,-0.3 121,-2.1 -2,-0.2 2,-0.1 -0.854 28.4 -97.7-122.5 158.9 45.6 -6.2 21.5 72 72 A T B > -G 191 0A 24 -2,-0.3 4,-1.3 119,-0.2 119,-0.3 -0.423 31.5-118.8 -74.8 152.6 44.5 -3.0 19.9 73 73 A V T 4 S+ 0 0 0 117,-3.3 3,-0.4 114,-0.4 115,-0.2 0.903 113.5 49.3 -56.6 -45.5 43.3 -0.2 22.2 74 74 A N T 4 S+ 0 0 69 113,-2.1 -1,-0.2 116,-0.2 114,-0.1 0.830 106.5 55.8 -66.3 -32.3 39.8 -0.1 20.7 75 75 A S T 4 S+ 0 0 57 112,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.783 88.9 91.5 -71.0 -28.0 39.4 -3.9 21.0 76 76 A I < - 0 0 1 -4,-1.3 3,-0.1 -3,-0.4 141,-0.0 -0.524 61.8-160.5 -72.1 130.8 40.1 -3.8 24.7 77 77 A S - 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