==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 01-SEP-06 2J4M . COMPND 2 MOLECULE: ENDOGLUCANASE 45A; . SOURCE 2 ORGANISM_SCIENTIFIC: PIROMYCES EQUI; . AUTHOR T.NAGY,R.B.TUNNICLIFFE,L.D.HIGGINS,C.WALTERS,H.J.GILBERT, . 100 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 19.0 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 . 4 4.0 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 1.0 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 . 14 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.0 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+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 71 0, 0.0 45,-0.2 0, 0.0 46,-0.2 0.000 360.0 360.0 360.0 52.6 5.4 5.7 -5.5 2 2 A M + 0 0 133 43,-0.8 44,-0.1 44,-0.4 45,-0.0 -0.462 360.0 106.4-170.5 88.8 2.2 7.6 -6.4 3 3 A A + 0 0 50 39,-0.1 43,-0.2 -2,-0.1 41,-0.1 0.035 37.2 154.7-157.9 31.8 -1.2 5.9 -6.1 4 4 A a - 0 0 4 41,-0.3 4,-0.5 1,-0.1 3,-0.4 -0.364 44.1-138.4 -68.4 146.3 -2.9 7.5 -3.1 5 5 A W S S+ 0 0 86 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.622 99.8 68.2 -79.0 -13.4 -6.7 7.5 -2.9 6 6 A A S >>>S+ 0 0 0 1,-0.2 3,-1.4 2,-0.2 5,-1.4 0.824 90.0 60.9 -74.4 -32.6 -6.6 11.0 -1.6 7 7 A Q T 345S+ 0 0 93 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.811 87.8 73.6 -64.1 -29.6 -5.3 12.4 -4.8 8 8 A S T 345S+ 0 0 103 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.769 106.1 37.3 -55.2 -25.2 -8.5 11.2 -6.5 9 9 A Q T <45S- 0 0 130 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.730 133.4 -87.1 -97.3 -29.2 -10.1 14.1 -4.7 10 10 A G T <5S+ 0 0 66 -4,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.119 90.6 112.2 144.4 -23.3 -7.3 16.6 -5.1 11 11 A Y < - 0 0 117 -5,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.135 63.1-109.8 -64.5-172.2 -5.0 16.0 -2.1 12 12 A N - 0 0 71 26,-0.5 28,-1.0 -3,-0.1 2,-0.2 -0.829 27.1 -97.7-123.4 162.4 -1.5 14.6 -2.4 13 13 A a B -a 40 0A 11 -2,-0.3 2,-0.8 26,-0.2 28,-0.1 -0.532 30.3-130.6 -80.1 145.0 0.1 11.3 -1.4 14 14 A b - 0 0 2 26,-1.2 28,-0.3 -2,-0.2 6,-0.1 -0.846 23.3-130.2-100.2 107.4 2.0 11.0 1.9 15 15 A N S S+ 0 0 68 -2,-0.8 4,-0.2 1,-0.2 20,-0.0 -0.081 91.2 20.6 -50.5 151.3 5.5 9.5 1.4 16 16 A N S > S+ 0 0 86 1,-0.1 3,-2.2 2,-0.1 -1,-0.2 0.933 73.8 176.2 50.0 52.1 6.3 6.6 3.7 17 17 A P G > S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 26,-0.2 0.682 71.6 70.6 -60.3 -17.5 2.6 6.0 4.4 18 18 A S G 3 S+ 0 0 52 1,-0.2 -2,-0.1 24,-0.2 -3,-0.1 0.434 110.1 31.0 -80.1 1.3 3.6 3.0 6.6 19 19 A S G < S+ 0 0 104 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 0.017 91.4 123.5-146.4 28.8 5.0 5.5 9.1 20 20 A T < - 0 0 19 -3,-0.8 2,-0.7 -6,-0.1 14,-0.1 -0.713 61.6-120.5 -97.0 146.9 2.8 8.5 8.8 21 21 A K - 0 0 157 -2,-0.3 2,-1.1 12,-0.2 12,-0.5 -0.771 20.3-155.7 -90.1 112.8 0.8 10.0 11.7 22 22 A V + 0 0 39 -2,-0.7 10,-0.3 10,-0.2 18,-0.0 -0.734 24.9 164.1 -91.0 96.0 -2.9 10.0 11.0 23 23 A E + 0 0 128 -2,-1.1 2,-0.4 8,-0.4 9,-0.2 0.416 66.7 55.2 -88.7 0.5 -4.3 12.8 13.1 24 24 A Y E +B 31 0A 126 7,-1.7 7,-2.3 -3,-0.1 2,-0.3 -0.993 57.1 161.4-137.3 143.9 -7.5 12.6 11.0 25 25 A T E +B 30 0A 90 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.906 13.8 127.7-163.2 131.0 -9.9 9.9 10.1 26 26 A D S S- 0 0 112 3,-1.2 3,-0.4 -2,-0.3 -2,-0.0 -0.637 75.1 -51.0-153.3-149.4 -13.5 9.8 8.7 27 27 A A S S+ 0 0 102 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.353 129.3 59.8 -84.7 7.7 -15.6 8.3 5.9 28 28 A S S S- 0 0 62 1,-0.4 2,-0.3 3,-0.0 -1,-0.2 0.656 113.2-105.1-104.4 -24.2 -13.0 9.6 3.4 29 29 A G - 0 0 20 -3,-0.4 -3,-1.2 2,-0.0 2,-0.4 -0.849 52.1 -31.9 131.7-168.3 -10.0 7.7 4.8 30 30 A Q E -B 25 0A 50 11,-0.3 11,-2.2 -2,-0.3 2,-0.3 -0.754 55.4-177.8 -92.9 133.1 -6.9 8.3 6.9 31 31 A W E +BC 24 40A 19 -7,-2.3 -7,-1.7 -2,-0.4 -8,-0.4 -0.934 6.7 162.0-129.6 152.9 -5.1 11.7 6.6 32 32 A G E - C 0 39A 0 7,-1.6 7,-1.2 -2,-0.3 2,-0.8 -0.985 39.3-106.8-165.3 156.8 -2.0 13.1 8.2 33 33 A V E + C 0 38A 55 -12,-0.5 2,-0.4 -2,-0.3 -12,-0.2 -0.807 38.8 177.5 -94.7 111.1 0.7 15.8 7.9 34 34 A Q E > - C 0 37A 30 3,-2.2 3,-0.6 -2,-0.8 -19,-0.1 -0.932 68.5 -10.2-116.0 135.7 4.0 14.5 6.7 35 35 A N T 3 S- 0 0 102 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.776 131.3 -55.9 50.4 28.6 7.0 16.6 6.0 36 36 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.910 116.7 106.2 73.0 43.9 4.7 19.6 6.4 37 37 A Q E < S- C 0 34A 104 -3,-0.6 -3,-2.2 2,-0.1 -1,-0.2 -0.951 70.2-115.6-156.5 133.1 2.2 18.6 3.8 38 38 A W E + C 0 33A 112 -2,-0.3 -26,-0.5 -5,-0.2 2,-0.3 -0.425 48.9 146.0 -68.2 138.9 -1.3 17.2 3.8 39 39 A b E - C 0 32A 1 -7,-1.2 -7,-1.6 -28,-0.1 -26,-0.2 -0.882 44.7-108.2-174.1 140.8 -1.7 13.7 2.4 40 40 A G E -aC 13 31A 0 -28,-1.0 -26,-1.2 -2,-0.3 2,-0.9 -0.248 36.6-109.2 -70.7 161.1 -3.7 10.5 2.9 41 41 A I + 0 0 4 -11,-2.2 2,-0.6 -28,-0.1 -11,-0.3 -0.796 43.6 167.1 -97.5 99.5 -2.2 7.3 4.3 42 42 A D > - 0 0 17 -2,-0.9 3,-1.3 -28,-0.3 -24,-0.2 -0.863 17.2-176.3-115.6 96.7 -1.9 4.8 1.5 43 43 A Y T 3 S+ 0 0 54 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.693 91.9 39.1 -63.0 -17.5 0.3 1.8 2.5 44 44 A S T 3 S+ 0 0 46 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 -0.326 70.0 134.6-128.5 50.3 -0.2 0.5 -1.0 45 45 A Y S < S- 0 0 17 -3,-1.3 -43,-0.8 1,-0.1 -41,-0.3 0.007 94.1 -64.9 -88.1 29.6 -0.1 3.7 -3.1 46 46 A G S S+ 0 0 29 -45,-0.2 -44,-0.4 -43,-0.2 2,-0.1 0.946 81.4 163.3 88.0 64.3 2.2 2.0 -5.7 47 47 A Q - 0 0 33 -46,-0.2 2,-0.2 1,-0.1 50,-0.1 -0.365 41.2 -77.3-102.8-175.8 5.5 1.3 -3.9 48 48 A N > - 0 0 51 -2,-0.1 3,-0.5 1,-0.1 4,-0.5 -0.483 24.7-134.8 -83.7 155.2 8.4 -1.1 -4.6 49 49 A Q T 3 S+ 0 0 54 1,-0.2 -1,-0.1 45,-0.2 41,-0.1 0.314 77.2 110.7 -90.1 8.7 8.3 -4.8 -4.1 50 50 A G T 3 S- 0 0 50 1,-0.1 -1,-0.2 39,-0.1 40,-0.1 0.684 96.9-107.5 -56.1 -16.3 11.7 -4.7 -2.5 51 51 A N < + 0 0 79 -3,-0.5 -2,-0.1 38,-0.1 -1,-0.1 0.887 67.1 151.2 87.9 48.6 9.9 -5.5 0.7 52 52 A E S S- 0 0 120 -4,-0.5 2,-0.2 37,-0.1 -3,-0.1 0.766 72.4 -14.5 -78.9 -27.0 10.1 -2.2 2.5 53 53 A S - 0 0 35 -10,-0.1 36,-1.9 0, 0.0 37,-0.3 -0.818 65.5-129.0-154.8-167.3 6.9 -2.9 4.4 54 54 A c B > -D 88 0B 7 34,-0.3 3,-0.5 -2,-0.2 34,-0.2 -0.947 24.4 -98.4-150.6 169.4 3.8 -5.2 4.5 55 55 A T T 3 S+ 0 0 4 32,-1.6 31,-0.8 31,-0.3 8,-0.2 -0.490 98.3 39.3 -90.0 162.7 0.0 -5.1 4.6 56 56 A G T > S+ 0 0 3 18,-0.3 3,-1.2 29,-0.2 4,-0.4 0.662 70.8 131.1 73.7 15.7 -2.0 -5.5 7.8 57 57 A N T < + 0 0 80 -3,-0.5 -2,-0.1 1,-0.2 -1,-0.1 0.427 60.1 70.6 -79.2 2.1 0.5 -3.5 9.7 58 58 A G T 3 S- 0 0 53 3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.406 126.1 -13.4 -97.9 1.7 -2.4 -1.4 11.1 59 59 A S S < S+ 0 0 103 -3,-1.2 -2,-0.1 1,-0.6 26,-0.0 0.187 123.9 39.2-160.2 -65.3 -3.7 -4.2 13.3 60 60 A Y S S- 0 0 102 -4,-0.4 -1,-0.6 1,-0.2 25,-0.1 -0.298 83.7 -90.7 -94.3-178.9 -2.4 -7.8 12.7 61 61 A P - 0 0 70 0, 0.0 25,-1.1 0, 0.0 -1,-0.2 -0.293 48.0 -82.9 -86.9 175.4 1.2 -9.0 11.9 62 62 A c B -e 86 0C 45 23,-0.2 25,-0.1 1,-0.1 -6,-0.1 -0.434 28.2-156.5 -77.7 152.9 2.8 -9.6 8.5 63 63 A d - 0 0 3 23,-1.5 24,-0.1 -8,-0.2 -1,-0.1 0.911 11.7-150.4 -92.7 -58.8 2.1 -12.9 6.6 64 64 A N + 0 0 112 22,-0.5 2,-0.4 1,-0.3 23,-0.1 0.360 59.9 110.2 98.7 0.1 5.2 -13.3 4.3 65 65 A T - 0 0 48 21,-0.1 23,-0.4 2,-0.1 -1,-0.3 -0.870 65.6-142.2-109.9 141.2 3.2 -15.2 1.7 66 66 A e S S+ 0 0 92 -2,-0.4 2,-0.5 21,-0.1 -1,-0.0 -0.178 73.7 104.1 -92.0 42.2 2.2 -13.8 -1.7 67 67 A Q - 0 0 101 -2,-0.3 2,-1.4 3,-0.0 12,-0.3 -0.831 51.3-170.7-126.2 90.5 -1.2 -15.6 -1.5 68 68 A A + 0 0 41 -2,-0.5 10,-0.3 1,-0.2 3,-0.1 -0.664 7.6 178.8 -86.7 90.6 -3.9 -13.0 -0.8 69 69 A T S S+ 0 0 86 -2,-1.4 2,-0.3 1,-0.2 9,-0.2 0.709 74.4 19.7 -62.4 -21.0 -6.9 -15.2 -0.1 70 70 A Y E -F 77 0C 59 7,-2.4 7,-1.3 -3,-0.1 2,-0.4 -0.980 66.1-155.5-154.2 140.0 -8.8 -12.0 0.6 71 71 A T E +F 76 0C 85 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.939 17.1 177.4-118.4 137.8 -8.5 -8.3 -0.2 72 72 A D E > -F 75 0C 104 3,-3.0 3,-1.6 -2,-0.4 -2,-0.0 -0.468 52.6 -72.3-121.6-166.4 -10.0 -5.4 1.8 73 73 A G T 3 S+ 0 0 82 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.470 130.4 52.4 -71.3 0.2 -10.1 -1.7 1.7 74 74 A D T 3 S- 0 0 61 1,-0.4 2,-0.3 -31,-0.1 -1,-0.3 0.275 122.5 -89.6-116.7 7.5 -6.5 -1.7 3.0 75 75 A G E < S-F 72 0C 16 -3,-1.6 -3,-3.0 -20,-0.1 -1,-0.4 -0.892 71.0 -18.8 123.3-153.7 -5.1 -4.0 0.3 76 76 A D E -F 71 0C 50 -2,-0.3 11,-0.6 -5,-0.3 2,-0.3 -0.400 56.3-162.9 -89.0 168.2 -4.7 -7.8 0.0 77 77 A W E -FG 70 86C 14 -7,-1.3 -7,-2.4 9,-0.2 2,-0.3 -0.997 9.1-177.4-153.5 151.1 -4.7 -10.3 2.9 78 78 A A E - G 0 85C 0 7,-2.0 7,-1.5 -2,-0.3 2,-0.5 -0.896 23.1-127.1-142.3 170.3 -3.8 -13.8 3.7 79 79 A F E + G 0 84C 93 -12,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.918 40.0 148.9-128.6 106.6 -3.9 -16.4 6.5 80 80 A E E > + G 0 83C 57 3,-1.5 3,-1.3 -2,-0.5 -2,-0.1 -0.936 60.5 18.7-135.0 157.2 -0.7 -18.1 7.6 81 81 A N T 3 S- 0 0 133 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.746 129.2 -66.6 56.6 22.4 0.7 -19.5 10.9 82 82 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.879 113.8 106.4 67.7 38.6 -3.0 -19.5 12.0 83 83 A N E < S- G 0 80C 47 -3,-1.3 -3,-1.5 -23,-0.0 2,-1.2 -0.986 76.7-114.3-151.7 138.5 -3.2 -15.7 12.0 84 84 A W E + G 0 79C 127 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.579 51.7 165.8 -74.4 96.8 -4.8 -13.1 9.8 85 85 A d E - G 0 78C 0 -7,-1.5 -7,-2.0 -2,-1.2 2,-0.4 -0.555 34.0-109.3-107.1 173.5 -1.8 -11.3 8.3 86 86 A G E -eG 62 77C 0 -25,-1.1 -23,-1.5 -31,-0.8 -22,-0.5 -0.852 36.1 -99.0-109.1 142.3 -1.5 -8.9 5.4 87 87 A I - 0 0 2 -11,-0.6 -32,-1.6 -2,-0.4 -11,-0.1 -0.278 47.8-104.8 -57.2 134.6 0.2 -9.6 2.1 88 88 A K B > -D 54 0B 26 -23,-0.4 3,-1.0 -34,-0.2 -34,-0.3 -0.200 20.6-118.2 -60.4 151.6 3.8 -8.3 1.9 89 89 A N T 3 S+ 0 0 6 -36,-1.9 4,-0.3 1,-0.3 3,-0.2 0.662 118.3 55.6 -64.4 -15.3 4.5 -5.1 -0.0 90 90 A S T 3 S+ 0 0 34 -37,-0.3 2,-1.2 1,-0.2 3,-0.4 0.705 92.2 71.8 -88.2 -24.7 6.8 -7.4 -2.1 91 91 A e S < S+ 0 0 21 -3,-1.0 -1,-0.2 1,-0.2 -23,-0.1 -0.403 86.4 67.6 -90.2 57.6 4.0 -9.8 -2.9 92 92 A K S S+ 0 0 68 -2,-1.2 2,-0.3 -3,-0.2 -1,-0.2 0.515 107.8 0.7-138.2 -46.4 2.1 -7.4 -5.3 93 93 A Q - 0 0 125 -3,-0.4 3,-0.4 -4,-0.3 -44,-0.2 -0.925 45.5-158.6-156.5 126.8 4.2 -6.9 -8.4 94 94 A Q S S+ 0 0 169 -2,-0.3 2,-3.1 1,-0.2 -45,-0.2 0.974 91.3 61.0 -68.7 -56.5 7.6 -8.3 -9.5 95 95 A P S S+ 0 0 70 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 -0.235 73.9 178.8 -69.5 55.6 8.4 -5.5 -12.1 96 96 A Q S S- 0 0 30 -2,-3.1 2,-2.9 -3,-0.4 -48,-0.1 -0.449 72.5 -51.4 -65.0 92.9 8.3 -2.8 -9.4 97 97 A N S S+ 0 0 92 -2,-1.4 2,-0.6 1,-0.1 -1,-0.2 -0.253 116.2 110.2 71.8 -54.8 9.2 0.2 -11.6 98 98 A N - 0 0 94 -2,-2.9 2,-0.8 -4,-0.2 -1,-0.1 -0.350 53.5-168.1 -56.2 104.0 12.3 -1.7 -12.9 99 99 A N 0 0 140 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 -0.855 360.0 360.0-103.0 105.4 11.2 -2.3 -16.5 100 100 A Q 0 0 232 -2,-0.8 -1,-0.2 0, 0.0 0, 0.0 0.974 360.0 360.0 -60.3 360.0 13.6 -4.8 -18.3