==== 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 1OA3 . COMPND 2 MOLECULE: ENDO-BETA-1-4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA SCHWEINITZII; . AUTHOR M.SANDGREN,P.J.GUALFETTI,A.SHAW,L.S.GROSS,M.SALDAJENO, . 872 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 643 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 396 45.4 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 . 12 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 . 83 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 4.6 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 *** . 1 0 0 0 0 0 0 0 0 4 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 4 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 . 4 9 4 12 4 3 1 8 8 0 0 4 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 0 111 0, 0.0 34,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 172.4 25.1 13.9 43.2 2 2 A T E +A 34 0A 87 32,-0.3 2,-0.3 34,-0.0 32,-0.2 -0.907 360.0 163.1-114.5 145.1 23.7 15.7 40.3 3 3 A S E -A 33 0A 24 30,-2.0 30,-2.5 -2,-0.3 5,-0.0 -0.975 26.4-166.5-154.6 147.5 25.2 17.4 37.1 4 4 A a + 0 0 68 -2,-0.3 27,-0.4 28,-0.2 -1,-0.1 0.296 50.5 127.5-112.4 4.5 24.1 18.6 33.7 5 5 A D S > S- 0 0 116 1,-0.1 3,-1.7 28,-0.1 14,-0.2 -0.365 71.8-113.1 -64.8 144.7 27.6 18.9 32.2 6 6 A Q T 3 S+ 0 0 88 1,-0.3 15,-2.7 14,-0.1 -1,-0.1 0.776 110.4 22.0 -49.7 -40.9 28.0 17.1 28.9 7 7 A Y T 3 S+ 0 0 134 13,-0.2 -1,-0.3 12,-0.2 -2,-0.1 -0.011 85.4 150.1-123.8 32.1 30.4 14.5 30.1 8 8 A A < - 0 0 15 -3,-1.7 11,-2.4 10,-0.1 12,-0.5 -0.314 21.7-173.9 -58.7 144.1 29.8 14.5 33.9 9 9 A T E -B 18 0A 79 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.987 17.2-161.5-140.7 152.4 30.4 11.2 35.7 10 10 A F E -B 17 0A 38 7,-2.4 7,-3.1 -2,-0.3 2,-0.4 -1.000 14.1-161.8-130.9 133.0 29.9 9.8 39.1 11 11 A S E +B 16 0A 90 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.894 17.3 159.2-119.8 143.8 31.7 6.7 40.4 12 12 A G E > -B 15 0A 22 3,-2.1 3,-2.6 -2,-0.4 -2,-0.0 -0.891 63.4 -35.7-162.1 134.4 31.1 4.4 43.3 13 13 A N T 3 S- 0 0 103 -2,-0.3 26,-0.1 1,-0.3 -1,-0.1 -0.298 125.8 -22.9 48.8-124.5 32.2 0.8 43.9 14 14 A G T 3 S+ 0 0 25 24,-0.2 52,-2.0 -3,-0.1 2,-0.3 0.276 121.1 91.4 -95.9 7.0 32.2 -0.9 40.5 15 15 A Y E < -BC 12 65A 11 -3,-2.6 -3,-2.1 23,-0.3 2,-0.4 -0.747 50.0-167.6-106.7 150.6 29.7 1.5 38.9 16 16 A I E -BC 11 64A 33 48,-2.0 48,-2.0 -2,-0.3 2,-0.5 -0.994 8.4-157.8-131.2 130.6 30.0 4.7 36.8 17 17 A V E -BC 10 63A 0 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.4 -0.940 18.9-172.3-107.6 129.8 27.0 6.9 36.1 18 18 A S E -BC 9 62A 12 44,-3.2 44,-2.3 -2,-0.5 -9,-0.2 -0.973 32.2-156.3-131.1 137.8 27.5 9.2 33.0 19 19 A N + 0 0 0 -11,-2.4 41,-0.4 -2,-0.4 -12,-0.2 0.923 28.9 177.7 -72.9 -46.9 25.6 12.0 31.4 20 20 A N + 0 0 42 -12,-0.5 40,-2.3 1,-0.2 2,-1.5 0.879 4.4 179.4 44.7 57.3 27.3 11.3 28.0 21 21 A L > + 0 0 10 -15,-2.7 3,-1.6 38,-0.2 4,-0.2 -0.323 18.4 152.8 -83.1 58.6 25.4 14.0 26.0 22 22 A W T 3 + 0 0 127 -2,-1.5 3,-0.2 1,-0.3 37,-0.2 0.689 69.0 42.9 -66.1 -24.0 27.2 13.2 22.8 23 23 A G T > S+ 0 0 5 35,-1.7 3,-2.0 -3,-0.2 -1,-0.3 0.116 73.0 119.5-111.1 20.5 24.5 14.3 20.4 24 24 A A G X + 0 0 25 -3,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.816 67.3 65.4 -54.2 -34.6 23.5 17.5 22.2 25 25 A S G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.676 89.0 68.4 -65.9 -18.6 24.4 19.6 19.1 26 26 A A G < S+ 0 0 36 -3,-2.0 -1,-0.3 31,-0.1 2,-0.2 0.545 112.0 8.2 -79.3 -8.5 21.6 18.0 17.1 27 27 A G S < S- 0 0 20 -3,-1.7 2,-0.4 -4,-0.2 25,-0.2 -0.810 77.3 -94.6-152.6-170.3 18.9 19.6 19.2 28 28 A S E S+ D 0 51A 84 23,-2.3 23,-2.0 -2,-0.2 2,-0.3 -0.980 73.8 56.2-121.1 136.6 17.9 22.2 21.8 29 29 A G E - D 0 50A 51 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.998 69.7 -87.0 147.4-147.5 17.5 21.3 25.5 30 30 A F E - D 0 49A 73 19,-2.2 19,-2.1 -2,-0.3 2,-0.3 -0.973 14.1-151.8-157.8 163.8 19.4 19.7 28.3 31 31 A G E + D 0 48A 1 -27,-0.4 2,-0.3 -2,-0.3 17,-0.2 -0.979 16.2 178.6-143.6 136.6 20.3 16.4 30.0 32 32 A a E - D 0 47A 17 15,-3.0 15,-3.0 -2,-0.3 2,-0.4 -0.977 10.7-155.7-134.8 150.5 21.2 15.9 33.7 33 33 A V E -AD 3 46A 0 -30,-2.5 -30,-2.0 -2,-0.3 2,-0.4 -0.965 0.8-162.4-125.8 146.0 22.0 12.8 35.7 34 34 A T E -AD 2 45A 20 11,-2.6 11,-2.2 -2,-0.4 2,-0.6 -0.985 7.7-154.4-125.1 120.2 21.7 12.1 39.4 35 35 A S E + D 0 44A 6 -34,-2.9 9,-0.2 -2,-0.4 3,-0.1 -0.840 18.2 173.4 -92.7 120.7 23.6 9.3 41.1 36 36 A V E - 0 0 87 7,-2.1 2,-0.3 -2,-0.6 8,-0.2 0.902 62.9 -8.2 -94.0 -54.2 21.7 8.3 44.2 37 37 A S E + D 0 43A 48 6,-1.8 6,-2.5 -25,-0.0 -1,-0.3 -0.965 45.9 178.0-150.8 131.3 23.5 5.2 45.5 38 38 A L + 0 0 18 -2,-0.3 2,-0.7 4,-0.2 -23,-0.3 0.008 47.8 113.9-121.7 29.4 26.3 3.1 44.1 39 39 A N S S- 0 0 132 2,-0.1 2,-1.3 -26,-0.1 -26,-0.1 -0.877 96.9 -26.4-104.9 109.8 26.8 0.5 46.9 40 40 A G S S+ 0 0 56 -2,-0.7 2,-0.3 2,-0.0 -26,-0.1 -0.579 138.7 21.4 94.0 -78.2 25.8 -3.0 45.8 41 41 A A S S- 0 0 29 -2,-1.3 2,-0.4 173,-0.1 173,-0.2 -0.754 90.4-111.1-111.0 167.0 23.3 -2.2 43.2 42 42 A A E - E 0 213A 1 171,-2.7 171,-0.9 -2,-0.3 2,-0.4 -0.876 27.3-175.2-105.4 136.7 23.1 1.1 41.4 43 43 A S E +D 37 0A 28 -6,-2.5 -7,-2.1 -2,-0.4 -6,-1.8 -1.000 27.4 127.9-126.3 129.0 20.3 3.6 41.8 44 44 A W E -DE 35 210A 0 166,-1.8 166,-2.9 -2,-0.4 2,-0.3 -0.974 37.6-137.0-168.1 165.8 20.2 6.8 39.7 45 45 A H E -DE 34 209A 45 -11,-2.2 -11,-2.6 -2,-0.3 2,-0.4 -0.994 4.0-146.6-142.2 153.7 18.1 8.8 37.3 46 46 A A E -DE 33 208A 0 162,-2.4 162,-2.7 -2,-0.3 2,-0.4 -0.961 15.9-170.5-116.7 132.3 18.4 10.6 34.0 47 47 A D E +DE 32 207A 40 -15,-3.0 -15,-3.0 -2,-0.4 2,-0.3 -0.954 16.6 150.3-124.6 140.5 16.4 13.8 33.3 48 48 A W E -DE 31 206A 5 158,-2.5 158,-2.4 -2,-0.4 2,-0.3 -0.997 31.3-159.8-162.8 166.5 16.1 15.6 30.0 49 49 A Q E +DE 30 205A 89 -19,-2.1 -19,-2.2 -2,-0.3 2,-0.4 -0.926 24.0 172.6-152.0 125.1 14.3 17.8 27.5 50 50 A W E +DE 29 204A 11 154,-2.6 154,-2.4 -2,-0.3 2,-0.3 -0.999 11.1 175.9-142.3 140.1 15.0 17.8 23.8 51 51 A S E +D 28 0A 70 -23,-2.0 -23,-2.3 -2,-0.4 -2,-0.0 -0.938 51.4 31.7-134.9 155.7 13.5 19.3 20.6 52 52 A G S S+ 0 0 37 -2,-0.3 4,-0.2 -25,-0.2 -26,-0.1 -0.021 80.3 72.9 84.4 168.3 14.8 19.3 17.0 53 53 A G > - 0 0 23 1,-0.1 3,-2.6 2,-0.1 -27,-0.1 0.938 65.2-165.9 51.2 55.2 16.9 16.6 15.2 54 54 A Q T 3 S+ 0 0 99 1,-0.3 -1,-0.1 3,-0.0 149,-0.1 0.736 80.3 29.9 -42.9 -42.0 13.8 14.4 15.1 55 55 A N T 3 S+ 0 0 127 147,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.150 100.1 98.3-110.9 19.3 15.7 11.2 14.2 56 56 A N S < S- 0 0 90 -3,-2.6 2,-0.2 -4,-0.2 -33,-0.0 -0.931 72.7-126.2-111.7 125.1 19.0 11.9 15.9 57 57 A V - 0 0 22 -2,-0.5 145,-0.2 1,-0.1 -31,-0.1 -0.502 17.8-161.0 -65.0 133.5 19.8 10.5 19.3 58 58 A K - 0 0 0 143,-2.6 -35,-1.7 1,-0.2 2,-0.3 0.675 59.4 -26.3 -91.5 -21.1 20.9 13.3 21.6 59 59 A S - 0 0 0 142,-0.4 -38,-0.2 -37,-0.2 -1,-0.2 -0.971 43.6-127.3-174.8 169.9 22.7 11.4 24.3 60 60 A Y - 0 0 6 -40,-2.3 2,-0.2 -41,-0.4 140,-0.2 -0.593 25.7-171.1-139.4 78.3 23.2 8.0 26.1 61 61 A Q E + F 0 199A 0 138,-0.9 138,-1.8 -2,-0.1 2,-0.3 -0.520 30.8 153.1 -64.4 128.4 22.9 8.8 29.8 62 62 A N E -CF 18 198A 2 -44,-2.3 -44,-3.2 -2,-0.2 2,-0.4 -0.987 48.8-127.3-158.8 162.9 23.9 5.5 31.5 63 63 A V E +CF 17 197A 0 134,-2.8 134,-2.5 -2,-0.3 2,-0.3 -0.902 35.0 172.5-109.1 144.5 25.3 3.4 34.2 64 64 A Q E -CF 16 196A 36 -48,-2.0 -48,-2.0 -2,-0.4 2,-0.3 -0.971 27.8-115.9-146.2 164.0 28.0 0.9 33.5 65 65 A I E -C 15 0A 17 130,-1.6 130,-0.4 -2,-0.3 2,-0.3 -0.708 35.6-103.9 -98.1 153.8 30.4 -1.5 35.3 66 66 A N - 0 0 80 -52,-2.0 128,-0.1 -2,-0.3 -1,-0.0 -0.602 30.8-174.9 -75.4 136.8 34.2 -1.3 35.3 67 67 A I + 0 0 24 -2,-0.3 -1,-0.1 126,-0.2 3,-0.0 -0.581 13.9 163.4-131.4 67.5 36.0 -3.7 33.1 68 68 A P S S+ 0 0 110 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.836 71.3 44.9 -53.0 -40.8 39.8 -3.3 33.7 69 69 A Q S S- 0 0 159 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.934 83.5-141.7-116.9 112.1 40.7 -6.6 32.1 70 70 A K - 0 0 54 -2,-0.6 2,-0.3 36,-0.2 123,-0.1 -0.500 21.5-176.6 -79.4 141.0 39.1 -7.5 28.8 71 71 A R - 0 0 85 121,-0.4 121,-2.2 -2,-0.2 2,-0.1 -0.934 29.9 -98.2-134.0 151.3 38.1 -11.1 28.1 72 72 A T B >> -G 191 0A 28 -2,-0.3 4,-1.2 119,-0.2 3,-0.6 -0.403 32.2-118.9 -69.1 148.3 36.6 -12.9 25.1 73 73 A V G >4 S+ 0 0 0 117,-2.7 3,-0.7 114,-0.4 115,-0.2 0.911 114.0 50.6 -52.4 -50.1 33.0 -13.6 25.1 74 74 A N G 34 S+ 0 0 74 113,-1.7 -1,-0.2 116,-0.2 114,-0.1 0.792 105.9 56.7 -63.1 -27.1 33.4 -17.4 25.0 75 75 A S G <4 S+ 0 0 59 -3,-0.6 2,-0.4 112,-0.3 -1,-0.2 0.767 89.3 89.1 -74.8 -25.6 35.8 -17.2 28.0 76 76 A I << - 0 0 2 -4,-1.2 3,-0.1 -3,-0.7 141,-0.0 -0.582 63.2-159.9 -76.4 128.4 33.2 -15.5 30.1 77 77 A G - 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