==== 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 1OA2 . 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, . 1308 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 980 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 577 44.1 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 . 17 1.3 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 . 1 0.1 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 . 133 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 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 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 13 6 17 7 5 4 8 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 0 4 2 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 0 100 0, 0.0 34,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.6 63.3 -9.5 47.4 2 2 A T E +A 34 0A 88 32,-0.2 2,-0.3 34,-0.0 32,-0.2 -0.946 360.0 167.6-110.5 135.5 65.2 -6.3 47.2 3 3 A S E -A 33 0A 21 30,-2.2 30,-2.3 -2,-0.4 5,-0.0 -0.995 24.1-173.5-141.7 142.9 67.7 -5.2 44.5 4 4 A a + 0 0 66 -2,-0.3 27,-0.4 28,-0.2 -1,-0.1 0.361 48.6 129.8-107.4 0.5 69.4 -1.9 43.7 5 5 A D S > S- 0 0 59 1,-0.1 3,-2.0 28,-0.1 14,-0.1 -0.324 70.0-117.7 -60.3 137.1 70.9 -3.3 40.5 6 6 A Q T 3 S+ 0 0 25 1,-0.3 15,-1.9 13,-0.1 -1,-0.1 0.761 108.0 26.5 -50.2 -35.5 70.2 -1.0 37.6 7 7 A W T 3 S+ 0 0 37 13,-0.2 -1,-0.3 12,-0.2 -2,-0.1 0.095 83.6 150.8-121.4 24.1 68.2 -3.5 35.6 8 8 A A < - 0 0 11 -3,-2.0 11,-2.8 10,-0.1 12,-0.4 -0.240 18.9-179.2 -57.4 138.4 66.8 -5.8 38.3 9 9 A T E -B 18 0A 82 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.988 13.5-166.7-138.7 151.0 63.5 -7.5 37.5 10 10 A F E -B 17 0A 44 7,-2.2 7,-2.6 -2,-0.3 2,-0.3 -0.999 12.3-170.0-136.5 134.1 61.3 -9.9 39.5 11 11 A T E +B 16 0A 92 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.952 16.5 146.0-132.9 149.4 58.4 -11.8 38.0 12 12 A G E > +B 15 0A 21 3,-2.5 3,-2.2 -2,-0.3 -2,-0.0 -0.854 67.1 2.7-175.9 137.5 55.5 -13.9 39.2 13 13 A N T 3 S- 0 0 126 1,-0.3 28,-0.1 -2,-0.3 3,-0.1 0.751 128.3 -52.6 52.4 31.8 51.9 -14.7 38.3 14 14 A G T 3 S+ 0 0 37 1,-0.3 52,-2.2 51,-0.1 2,-0.4 0.566 117.0 109.4 85.0 6.5 52.1 -12.5 35.2 15 15 A Y E < -BC 12 65A 30 -3,-2.2 -3,-2.5 50,-0.2 2,-0.4 -0.921 46.6-168.6-114.7 145.3 53.3 -9.5 37.1 16 16 A T E -BC 11 64A 25 48,-2.5 48,-2.3 -2,-0.4 2,-0.5 -1.000 9.4-159.7-135.4 132.9 56.8 -8.0 36.8 17 17 A V E -BC 10 63A 0 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.4 -0.956 20.0-173.3-110.1 128.1 58.5 -5.4 39.1 18 18 A S E -BC 9 62A 13 44,-2.5 44,-1.9 -2,-0.5 -9,-0.2 -0.947 31.4-151.6-127.7 143.4 61.5 -3.7 37.4 19 19 A N + 0 0 0 -11,-2.8 41,-0.4 -2,-0.4 -12,-0.2 0.927 31.3 175.0 -75.4 -52.1 64.1 -1.2 38.6 20 20 A N + 0 0 23 -12,-0.4 2,-2.0 1,-0.2 40,-1.9 0.842 7.3 179.2 54.0 51.9 64.5 0.2 35.1 21 21 A L > + 0 0 8 -15,-1.9 3,-1.4 38,-0.2 4,-0.2 -0.428 16.6 156.3 -83.2 65.9 66.9 3.1 35.9 22 22 A W T 3 + 0 0 22 -2,-2.0 3,-0.2 1,-0.3 37,-0.2 0.690 69.7 45.6 -67.1 -21.7 67.1 4.2 32.3 23 23 A G T > S+ 0 0 4 35,-1.7 3,-2.4 -3,-0.2 -1,-0.3 0.157 70.3 116.3-109.1 18.0 68.1 7.8 33.2 24 24 A A G X + 0 0 2 -3,-1.4 3,-2.1 1,-0.3 347,-1.8 0.821 67.6 69.9 -54.8 -33.3 70.8 7.1 35.8 25 25 A S G 3 S+ 0 0 29 345,-0.3 -1,-0.3 1,-0.3 344,-0.1 0.553 88.7 67.2 -63.5 -7.3 73.3 8.7 33.4 26 26 A A G < S- 0 0 25 -3,-2.4 -1,-0.3 31,-0.1 2,-0.3 0.549 112.8 -8.2 -89.7 -3.9 71.6 12.0 34.2 27 27 A G S < S- 0 0 8 -3,-2.1 344,-1.7 -4,-0.2 2,-0.4 -0.873 73.0 -79.9-168.2-170.7 72.7 12.1 37.8 28 28 A S E S+eD 371 51A 41 23,-2.5 23,-2.0 -2,-0.3 2,-0.3 -0.952 75.9 54.4-116.4 132.0 74.2 10.7 40.9 29 29 A G E - D 0 50A 17 342,-2.2 2,-0.3 -2,-0.4 21,-0.2 -0.998 67.1 -89.4 148.6-149.8 72.3 8.3 43.2 30 30 A F E - D 0 49A 84 19,-2.3 19,-2.0 -2,-0.3 2,-0.3 -0.979 10.3-147.5-159.4 166.6 70.5 5.1 43.2 31 31 A G E - D 0 48A 0 -27,-0.4 2,-0.3 -2,-0.3 17,-0.2 -0.993 16.9-178.2-144.2 136.0 67.2 3.3 42.8 32 32 A a E - D 0 47A 12 15,-2.8 15,-3.0 -2,-0.3 2,-0.4 -0.983 9.5-156.8-134.5 146.8 66.1 0.1 44.6 33 33 A V E -AD 3 46A 0 -30,-2.3 -30,-2.2 -2,-0.3 2,-0.4 -0.969 2.4-163.1-123.5 145.3 62.9 -2.0 44.3 34 34 A T E -AD 2 45A 20 11,-2.7 11,-2.1 -2,-0.4 2,-0.6 -0.994 7.8-152.4-127.5 124.0 61.5 -4.4 46.9 35 35 A V E + D 0 44A 11 -34,-2.7 9,-0.3 -2,-0.4 3,-0.1 -0.875 18.1 172.1 -95.3 123.7 58.9 -7.0 46.0 36 36 A V E - 0 0 94 7,-2.8 2,-0.3 -2,-0.6 8,-0.2 0.793 69.6 -12.3 -94.6 -42.2 56.7 -7.8 49.0 37 37 A S E - D 0 43A 44 6,-2.2 6,-2.8 1,-0.1 -1,-0.4 -0.953 37.3-172.0-160.3 140.2 54.2 -10.0 47.1 38 38 A L > + 0 0 19 -2,-0.3 2,-0.5 4,-0.2 3,-0.5 0.153 65.4 103.9-112.5 13.6 53.3 -10.9 43.5 39 39 A S T 3 S+ 0 0 88 1,-0.2 -26,-0.0 4,-0.1 4,-0.0 -0.860 92.0 6.4 -96.4 126.1 50.2 -12.8 44.6 40 40 A G T 3 S- 0 0 73 -2,-0.5 -1,-0.2 -27,-0.1 2,-0.2 0.908 139.4 -40.2 72.1 43.1 46.9 -11.0 44.1 41 41 A G S < S- 0 0 5 -3,-0.5 2,-0.5 -28,-0.1 173,-0.2 -0.465 94.1 -50.4 96.3-172.1 48.6 -8.2 42.3 42 42 A A E - F 0 213A 0 171,-2.6 171,-0.8 -2,-0.2 2,-0.5 -0.885 41.5-177.4-110.1 126.2 51.9 -6.5 43.0 43 43 A S E +D 37 0A 29 -6,-2.8 -7,-2.8 -2,-0.5 -6,-2.2 -0.994 34.1 127.4-119.0 120.9 52.8 -5.2 46.4 44 44 A W E -DF 35 210A 1 166,-1.9 166,-2.7 -2,-0.5 2,-0.3 -0.956 43.5-132.6-164.8 167.4 56.2 -3.5 46.2 45 45 A H E -DF 34 209A 47 -11,-2.1 -11,-2.7 -2,-0.3 2,-0.4 -0.991 7.3-147.1-139.1 148.7 58.2 -0.4 47.0 46 46 A A E -DF 33 208A 0 162,-2.3 162,-2.5 -2,-0.3 2,-0.4 -0.951 16.1-170.1-113.4 133.0 60.6 1.8 45.1 47 47 A D E +DF 32 207A 37 -15,-3.0 -15,-2.8 -2,-0.4 2,-0.3 -0.979 16.8 153.2-126.5 134.5 63.4 3.6 47.0 48 48 A W E -DF 31 206A 6 158,-2.6 158,-2.4 -2,-0.4 2,-0.3 -0.980 31.2-163.0-158.2 165.3 65.7 6.2 45.6 49 49 A Q E +DF 30 205A 102 -19,-2.0 -19,-2.3 -2,-0.3 2,-0.3 -0.909 22.2 174.9-150.7 129.1 67.9 9.2 45.9 50 50 A W E +DF 29 204A 5 154,-2.5 154,-2.4 -2,-0.3 2,-0.3 -0.999 10.6 179.5-142.7 139.7 69.0 11.4 43.0 51 51 A S E +D 28 0A 65 -23,-2.0 -23,-2.5 -2,-0.3 152,-0.1 -0.971 51.8 29.2-135.3 151.0 70.9 14.6 42.5 52 52 A G S S+ 0 0 42 -2,-0.3 4,-0.1 -25,-0.2 -26,-0.1 -0.043 79.9 72.9 86.5 164.6 71.7 16.5 39.3 53 53 A G > - 0 0 27 2,-0.1 3,-2.6 1,-0.1 -27,-0.1 0.962 61.6-161.9 54.9 61.2 69.8 16.7 36.0 54 54 A Q T 3 S+ 0 0 78 1,-0.3 149,-0.1 3,-0.0 -1,-0.1 0.789 84.7 27.9 -39.5 -48.1 67.0 18.9 37.3 55 55 A N T 3 S+ 0 0 126 147,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.156 99.5 104.9-108.8 21.2 64.6 18.2 34.5 56 56 A N < - 0 0 47 -3,-2.6 2,-0.2 -4,-0.1 -33,-0.0 -0.903 68.0-131.9-107.2 122.3 65.8 14.7 33.6 57 57 A V - 0 0 21 -2,-0.5 145,-0.2 1,-0.1 -31,-0.1 -0.457 16.3-163.5 -63.4 136.0 63.8 11.6 34.6 58 58 A K - 0 0 0 143,-2.8 -35,-1.7 1,-0.3 2,-0.3 0.666 59.4 -24.3 -97.6 -20.1 66.3 9.1 36.2 59 59 A S - 0 0 0 142,-0.6 -1,-0.3 -37,-0.2 -38,-0.2 -0.981 41.5-130.9-175.5 168.9 64.1 6.0 36.1 60 60 A Y - 0 0 4 -40,-1.9 2,-0.2 -41,-0.4 140,-0.2 -0.551 25.1-171.9-141.3 74.5 60.7 4.4 35.9 61 61 A Q E + G 0 199A 0 138,-0.8 138,-1.8 -44,-0.1 2,-0.3 -0.498 29.7 159.0 -60.1 130.1 60.6 1.7 38.6 62 62 A N E -CG 18 198A 1 -44,-1.9 -44,-2.5 136,-0.2 2,-0.4 -0.991 47.1-130.0-158.8 155.8 57.4 -0.0 37.9 63 63 A S E +CG 17 197A 0 134,-2.8 134,-2.2 -2,-0.3 2,-0.3 -0.925 37.0 170.3-103.7 145.3 55.1 -3.0 38.2 64 64 A Q E -CG 16 196A 51 -48,-2.3 -48,-2.5 -2,-0.4 2,-0.3 -0.959 28.0-120.6-148.3 164.9 53.5 -4.3 35.0 65 65 A I E -C 15 0A 15 130,-1.5 130,-0.4 -2,-0.3 -50,-0.2 -0.840 32.1-107.6-108.5 147.3 51.4 -7.1 33.6 66 66 A A - 0 0 62 -52,-2.2 128,-0.1 -2,-0.3 -1,-0.0 -0.395 22.7-161.5 -67.0 145.8 52.4 -9.5 30.8 67 67 A I + 0 0 21 126,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.697 14.2 173.5-130.5 77.8 50.5 -9.0 27.5 68 68 A P S S+ 0 0 108 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.873 73.4 35.0 -54.4 -45.9 51.0 -12.3 25.6 69 69 A Q S S- 0 0 154 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.956 83.0-137.1-116.0 119.9 48.6 -11.4 22.8 70 70 A K - 0 0 61 -2,-0.5 2,-0.3 36,-0.2 123,-0.1 -0.529 26.9-174.5 -71.7 135.5 48.4 -7.8 21.7 71 71 A R - 0 0 85 121,-0.4 121,-2.1 -2,-0.2 2,-0.1 -0.917 28.8 -99.1-128.4 157.0 44.8 -6.6 21.1 72 72 A T B > -H 191 0A 24 -2,-0.3 4,-1.2 119,-0.2 3,-0.3 -0.422 32.5-119.1 -72.1 151.8 43.3 -3.5 19.7 73 73 A V T >4 S+ 0 0 0 117,-2.5 3,-0.5 114,-0.3 115,-0.2 0.901 114.4 51.3 -57.1 -42.2 42.0 -0.9 22.2 74 74 A N T 34 S+ 0 0 66 113,-2.2 -1,-0.2 116,-0.3 114,-0.1 0.825 104.8 55.4 -67.5 -32.1 38.5 -1.3 20.8 75 75 A S T 34 S+ 0 0 54 112,-0.3 2,-0.3 -3,-0.3 -1,-0.2 0.760 91.5 87.6 -70.9 -25.0 38.4 -5.1 21.0 76 76 A I << - 0 0 3 -4,-1.2 3,-0.1 -3,-0.5 141,-0.0 -0.594 59.4-168.6 -76.9 134.2 39.3 -4.9 24.7 77 77 A S + 0 0 89 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.831 67.7 7.1 -93.0 -34.8 36.2 -4.6 26.8 78 78 A S - 0 0 27 2,-0.1 140,-3.0 95,-0.1 -1,-0.3 -0.999 41.4-174.2-151.3 144.2 37.8 -3.6 30.1 79 79 A M - 0 0 0 -2,-0.3 93,-2.4 138,-0.2 138,-0.2 -0.509 30.2-175.2-131.7 62.0 41.2 -2.7 31.6 80 80 A P E +I 171 0A 44 0, 0.0 136,-1.4 0, 0.0 2,-0.3 -0.217 6.0 171.1 -64.5 148.9 40.4 -2.5 35.3 81 81 A T E -IJ 170 215A 2 89,-2.7 89,-3.0 134,-0.2 2,-0.3 -0.992 19.0-166.2-155.9 149.6 43.0 -1.4 37.8 82 82 A T E -IJ 169 214A 50 132,-1.7 132,-2.2 -2,-0.3 2,-0.3 -0.973 9.2-173.8-130.9 152.0 43.4 -0.5 41.4 83 83 A A E -IJ 168 213A 0 85,-2.3 85,-2.9 -2,-0.3 2,-0.4 -0.987 9.7-177.0-147.7 132.7 46.3 1.2 43.1 84 84 A S E +IJ 167 212A 39 128,-2.7 128,-1.5 -2,-0.3 127,-1.4 -0.976 28.9 146.5-129.5 117.3 47.0 1.9 46.7 85 85 A W E - J 0 210A 10 81,-2.5 2,-0.3 -2,-0.4 125,-0.2 -0.922 29.5-162.9-146.9 167.8 50.1 3.9 47.4 86 86 A S E - J 0 209A 60 123,-1.8 123,-3.1 -2,-0.3 2,-0.4 -0.977 13.0-144.7-150.4 152.2 52.0 6.5 49.5 87 87 A Y E + J 0 208A 28 -2,-0.3 2,-0.3 121,-0.2 121,-0.2 -0.981 21.3 168.8-122.9 134.9 55.1 8.6 49.1 88 88 A S E + J 0 207A 70 119,-1.9 119,-2.8 -2,-0.4 2,-0.3 -0.899 28.6 78.0-136.9 162.8 57.5 9.6 51.8 89 89 A G E S- J 0 206A 53 -2,-0.3 2,-0.4 117,-0.2 117,-0.2 -0.952 70.9 -60.5 138.4-152.7 61.0 11.1 51.7 90 90 A S E S- J 0 205A 58 115,-2.0 115,-2.4 -2,-0.3 3,-0.2 -0.994 99.1 -3.5-140.2 140.2 62.5 14.6 51.3 91 91 A N E S- 0 0 58 -2,-0.4 2,-0.6 1,-0.2 -1,-0.1 0.919 81.7-164.4 50.5 46.6 62.5 17.2 48.6 92 92 A I E + 0 0 28 112,-0.2 2,-0.6 -3,-0.1 -1,-0.2 -0.494 23.8 173.3 -73.6 115.2 60.5 14.9 46.4 93 93 A R E + J 0 203A 22 110,-2.1 109,-2.9 -2,-0.6 110,-0.9 -0.932 43.7 99.3-116.5 99.9 60.4 15.8 42.7 94 94 A A E -KJ 124 201A 0 30,-1.5 30,-3.0 -2,-0.6 2,-0.2 -0.974 56.1-130.0-171.4 161.4 58.7 12.8 41.1 95 95 A N E -K 123 0A 0 105,-1.9 2,-0.4 -2,-0.3 28,-0.3 -0.625 9.8-137.8-117.4 175.1 55.4 11.5 39.8 96 96 A V E +K 122 0A 0 26,-2.2 26,-1.9 -2,-0.2 25,-1.4 -0.974 45.4 154.9-130.0 120.1 53.3 8.4 40.3 97 97 A A E -KL 120 198A 0 101,-3.0 101,-2.4 -2,-0.4 2,-0.3 -0.998 46.7-125.8-156.1 144.5 51.9 7.2 37.0 98 98 A Y E -KL 119 197A 0 21,-2.5 21,-1.5 -2,-0.3 2,-0.4 -0.646 30.6-162.4 -77.5 148.2 50.5 4.6 34.8 99 99 A D E +KL 118 196A 7 97,-1.9 97,-2.2 -2,-0.3 2,-0.4 -0.996 13.7 169.4-138.3 128.2 52.4 4.2 31.4 100 100 A L E -K 117 0A 0 17,-2.0 17,-2.9 -2,-0.4 2,-0.4 -1.000 16.7-155.2-140.4 136.4 51.1 2.4 28.3 101 101 A F E -K 116 0A 10 -2,-0.4 92,-2.9 15,-0.2 93,-1.0 -0.874 12.9-175.1-106.0 145.4 52.4 2.3 24.8 102 102 A T E +KM 115 192A 1 13,-2.2 13,-2.1 -2,-0.4 12,-1.9 -0.961 3.1 177.7-132.4 159.1 50.2 1.6 21.8 103 103 A A E - 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