==== 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 2J4N . 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) . 6372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.0 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 . 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 . 13 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 1 1 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 0 3 1 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 54 0, 0.0 46,-0.2 0, 0.0 45,-0.1 0.000 360.0 360.0 360.0 42.7 5.0 5.4 -6.3 2 2 A M + 0 0 143 44,-0.7 44,-0.2 43,-0.1 45,-0.0 -0.440 360.0 104.3-171.0 88.2 1.8 7.4 -7.1 3 3 A A + 0 0 62 42,-1.7 2,-0.2 39,-0.1 43,-0.2 0.047 38.6 146.6-158.5 30.9 -1.7 5.9 -6.7 4 4 A a > - 0 0 5 1,-0.1 3,-0.6 42,-0.1 4,-0.5 -0.499 48.2-139.0 -77.1 144.0 -3.0 7.5 -3.5 5 5 A W T 3 S+ 0 0 87 1,-0.2 4,-0.2 -2,-0.2 3,-0.2 0.632 100.8 67.1 -75.6 -13.6 -6.8 8.3 -3.3 6 6 A A T >>>S+ 0 0 0 1,-0.2 5,-1.5 2,-0.2 3,-1.0 0.775 91.7 59.8 -76.7 -27.5 -5.9 11.6 -1.6 7 7 A Q T <45S+ 0 0 86 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.753 84.5 79.1 -71.9 -23.9 -4.4 12.9 -4.8 8 8 A S T 345S+ 0 0 103 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.767 104.2 35.8 -54.7 -25.1 -7.7 12.5 -6.6 9 9 A Q T <45S- 0 0 129 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.727 134.8 -84.0 -98.8 -29.7 -8.7 15.7 -4.9 10 10 A G T <5S+ 0 0 57 -4,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.143 92.0 111.6 147.1 -21.6 -5.3 17.4 -5.1 11 11 A Y < - 0 0 102 -5,-1.5 2,-0.3 -6,-0.1 -1,-0.2 0.133 61.0-115.3 -65.6-171.4 -3.4 16.2 -2.1 12 12 A N E -a 39 0A 90 26,-0.6 28,-1.0 -3,-0.1 2,-0.3 -0.839 28.8 -88.2-128.1 165.7 -0.3 13.9 -2.3 13 13 A a E -a 40 0A 24 -2,-0.3 2,-1.2 26,-0.2 28,-0.1 -0.566 36.0-130.6 -76.6 132.8 0.6 10.4 -1.2 14 14 A b - 0 0 2 26,-1.4 28,-0.3 -2,-0.3 6,-0.2 -0.694 27.0-131.9 -88.0 92.9 2.0 10.1 2.3 15 15 A N S S+ 0 0 88 -2,-1.2 28,-0.0 1,-0.2 -1,-0.0 0.069 88.3 16.3 -38.7 148.9 5.1 8.0 2.0 16 16 A N S > S+ 0 0 59 1,-0.1 3,-1.8 2,-0.1 4,-0.4 0.903 74.4 170.8 44.9 52.5 5.4 5.1 4.4 17 17 A P T 3 + 0 0 4 0, 0.0 3,-0.3 0, 0.0 26,-0.2 0.652 64.7 79.1 -65.1 -14.1 1.7 5.4 5.3 18 18 A S T 3 S+ 0 0 34 1,-0.2 -2,-0.1 24,-0.2 -3,-0.1 0.605 110.6 22.8 -69.9 -10.9 2.1 2.1 7.2 19 19 A S S < S+ 0 0 102 -3,-1.8 -1,-0.2 2,-0.0 2,-0.1 0.253 94.7 127.0-136.2 6.8 3.6 4.2 10.0 20 20 A T - 0 0 15 -4,-0.4 2,-0.7 -3,-0.3 14,-0.1 -0.395 62.1-119.2 -70.1 145.3 2.1 7.6 9.3 21 21 A K - 0 0 143 12,-0.2 2,-1.2 -2,-0.1 12,-0.4 -0.776 19.9-152.7 -90.3 114.8 0.3 9.5 12.0 22 22 A V + 0 0 38 -2,-0.7 10,-0.2 1,-0.2 18,-0.0 -0.727 26.8 163.4 -90.5 95.6 -3.3 10.1 11.1 23 23 A E + 0 0 104 -2,-1.2 2,-0.3 8,-0.4 -1,-0.2 0.431 66.9 51.2 -88.5 -0.8 -4.3 13.2 13.0 24 24 A Y E +B 31 0A 116 7,-1.6 7,-2.0 -3,-0.1 2,-0.3 -0.975 56.1 174.7-137.9 152.5 -7.3 13.6 10.7 25 25 A T E +B 30 0A 90 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.833 12.0 155.7-160.9 116.9 -10.2 11.5 9.4 26 26 A D E > -B 29 0A 101 3,-0.9 3,-0.5 -2,-0.3 -2,-0.0 -0.412 62.7 -72.6-122.6-161.0 -13.1 12.4 7.3 27 27 A A T 3 S+ 0 0 111 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.424 127.2 61.2 -80.1 3.1 -15.5 10.8 4.9 28 28 A S T 3 S- 0 0 48 1,-0.2 2,-0.4 -22,-0.0 -1,-0.2 0.692 115.9-103.2 -98.4 -25.4 -12.7 10.5 2.4 29 29 A G E < -B 26 0A 26 -3,-0.5 -3,-0.9 -23,-0.0 2,-0.3 -0.971 61.7 -20.3 145.1-127.3 -10.5 8.4 4.5 30 30 A Q E -B 25 0A 72 -2,-0.4 11,-1.4 -5,-0.2 2,-0.3 -0.937 48.8-170.5-125.1 147.2 -7.4 9.2 6.6 31 31 A W E +BC 24 40A 19 -7,-2.0 -7,-1.6 -2,-0.3 -8,-0.4 -0.967 8.5 166.8-135.9 151.6 -4.9 12.1 6.5 32 32 A G E - C 0 39A 0 7,-2.7 7,-0.9 -2,-0.3 2,-0.7 -0.985 34.7-114.7-162.1 152.3 -1.6 12.9 8.1 33 33 A V E + C 0 38A 60 -12,-0.4 2,-0.5 -2,-0.3 5,-0.2 -0.824 35.7 175.0 -96.3 114.5 1.4 15.2 7.9 34 34 A Q - 0 0 43 3,-2.0 -19,-0.1 -2,-0.7 3,-0.1 -0.973 68.8 -7.9-122.2 128.8 4.6 13.5 7.0 35 35 A N S S- 0 0 140 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.825 131.0 -55.9 59.7 31.4 7.9 15.3 6.4 36 36 A G S S+ 0 0 66 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.928 115.8 107.8 67.7 46.6 6.0 18.6 6.6 37 37 A Q - 0 0 101 -3,-0.1 -3,-2.0 2,-0.1 -1,-0.2 -0.916 68.2-119.9-157.7 127.1 3.4 17.7 3.9 38 38 A W E + C 0 33A 107 -2,-0.3 -26,-0.6 -5,-0.2 2,-0.3 -0.352 46.6 147.2 -65.7 143.8 -0.3 16.9 3.9 39 39 A b E -aC 12 32A 5 -7,-0.9 -7,-2.7 -28,-0.1 -26,-0.2 -0.920 44.0-104.7-175.2 149.1 -1.2 13.5 2.5 40 40 A G E -aC 13 31A 0 -28,-1.0 -26,-1.4 -2,-0.3 2,-1.1 -0.456 36.3-110.4 -81.4 154.7 -3.6 10.6 2.9 41 41 A I + 0 0 7 -11,-1.4 2,-0.6 -2,-0.1 -11,-0.2 -0.717 47.2 161.9 -88.5 97.0 -2.8 7.3 4.6 42 42 A D > - 0 0 9 -2,-1.1 3,-2.3 -28,-0.3 -24,-0.2 -0.822 23.1-170.0-119.2 90.7 -2.8 4.8 1.7 43 43 A Y T 3 S+ 0 0 56 -2,-0.6 4,-0.2 1,-0.3 -25,-0.2 0.801 98.4 37.3 -47.6 -29.0 -0.9 1.6 2.7 44 44 A S T 3 S+ 0 0 61 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 -0.371 74.1 143.0-118.9 49.2 -1.2 0.7 -1.0 45 45 A Y S < S- 0 0 18 -3,-2.3 -42,-1.7 1,-0.1 -1,-0.1 0.578 86.6 -72.1 -67.0 -8.1 -0.8 4.2 -2.4 46 46 A G S S+ 0 0 20 -44,-0.2 -44,-0.7 -43,-0.2 2,-0.4 0.732 74.4 163.2 118.3 46.9 1.1 2.7 -5.3 47 47 A Q - 0 0 21 -46,-0.2 -1,-0.1 -4,-0.2 4,-0.1 -0.763 38.0-110.3 -98.2 140.4 4.5 1.4 -4.1 48 48 A N - 0 0 51 -2,-0.4 4,-0.5 1,-0.1 3,-0.2 0.124 35.7 -96.3 -55.8 177.3 6.6 -1.0 -6.1 49 49 A Q S S+ 0 0 63 47,-0.3 -1,-0.1 1,-0.2 41,-0.1 -0.134 87.5 117.9 -90.4 36.7 7.2 -4.6 -5.1 50 50 A G S S- 0 0 59 -2,-0.1 -1,-0.2 39,-0.0 40,-0.1 0.245 93.5-101.9 -88.6 15.1 10.6 -3.6 -3.6 51 51 A N S S+ 0 0 94 -3,-0.2 -2,-0.1 -4,-0.1 3,-0.1 0.905 71.5 149.5 67.5 42.3 9.5 -4.7 -0.1 52 52 A E - 0 0 114 -4,-0.5 2,-0.3 1,-0.1 -3,-0.1 0.807 68.4 -22.8 -75.4 -30.8 8.8 -1.1 1.0 53 53 A S - 0 0 35 -6,-0.1 36,-1.4 -36,-0.0 37,-0.5 -0.885 63.3-115.1-160.2-170.6 6.0 -2.2 3.4 54 54 A c B -D 88 0B 16 34,-0.3 3,-0.4 -2,-0.3 34,-0.2 -0.897 23.8-110.1-137.6 166.8 3.5 -4.9 4.2 55 55 A T S S+ 0 0 7 32,-0.9 31,-0.9 -2,-0.3 8,-0.2 -0.484 91.4 47.4 -93.0 166.9 -0.3 -5.3 4.4 56 56 A G >> + 0 0 0 18,-0.3 3,-1.1 29,-0.2 4,-0.6 0.658 64.0 135.0 77.2 15.7 -2.4 -5.8 7.6 57 57 A N T 34 + 0 0 37 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.374 51.6 84.8 -77.5 7.5 -0.6 -2.9 9.2 58 58 A G T 34 S- 0 0 52 3,-0.1 -1,-0.2 16,-0.0 -3,-0.0 0.787 125.3 -34.8 -78.5 -27.5 -4.1 -1.7 10.4 59 59 A S T <4 S+ 0 0 101 -3,-1.1 -2,-0.1 1,-0.3 -3,-0.0 0.321 124.1 59.2-160.4 -41.0 -4.0 -3.9 13.4 60 60 A Y S < S- 0 0 108 -4,-0.6 -1,-0.3 1,-0.2 25,-0.1 -0.331 79.6-101.2 -95.5 179.9 -2.2 -7.2 12.7 61 61 A P - 0 0 71 0, 0.0 25,-1.7 0, 0.0 2,-0.3 -0.152 43.8 -79.5 -89.7-171.7 1.4 -8.0 11.6 62 62 A c B -e 86 0C 55 23,-0.2 25,-0.2 1,-0.1 -6,-0.1 -0.662 26.2-151.5 -92.5 147.8 2.8 -8.9 8.2 63 63 A d - 0 0 4 23,-2.9 24,-0.2 -2,-0.3 -1,-0.1 0.974 14.2-149.8 -78.9 -63.1 2.6 -12.5 6.8 64 64 A N + 0 0 91 22,-0.5 2,-0.3 1,-0.4 23,-0.1 0.185 61.6 105.7 107.2 -9.7 5.7 -12.6 4.6 65 65 A T - 0 0 36 21,-0.2 -1,-0.4 2,-0.1 23,-0.4 -0.794 68.3-139.8-103.1 144.4 4.2 -15.1 2.2 66 66 A e S S+ 0 0 92 -2,-0.3 2,-0.6 21,-0.1 -1,-0.1 -0.149 73.6 106.4 -93.2 40.2 2.9 -14.2 -1.3 67 67 A Q - 0 0 97 -2,-0.1 2,-1.4 9,-0.0 12,-0.2 -0.840 49.7-171.8-121.8 90.9 -0.1 -16.4 -0.9 68 68 A A + 0 0 40 -2,-0.6 10,-0.3 1,-0.2 3,-0.1 -0.666 8.1 177.6 -87.7 89.0 -3.2 -14.2 -0.4 69 69 A T S S+ 0 0 85 -2,-1.4 2,-0.3 1,-0.2 9,-0.2 0.724 74.5 17.7 -61.9 -21.9 -5.9 -16.7 0.5 70 70 A Y E -F 77 0C 66 7,-2.4 7,-1.7 -3,-0.1 2,-0.4 -0.982 66.6-153.7-154.8 141.3 -8.2 -13.8 0.9 71 71 A T E +F 76 0C 88 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.928 17.0 178.7-117.9 140.0 -8.4 -10.1 -0.1 72 72 A D E > -F 75 0C 109 3,-3.0 3,-1.5 -2,-0.4 5,-0.0 -0.477 51.9 -73.0-122.4-166.3 -10.2 -7.3 1.7 73 73 A G T 3 S+ 0 0 79 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.436 130.1 51.7 -73.0 2.6 -10.8 -3.6 1.4 74 74 A D T 3 S- 0 0 72 1,-0.4 2,-0.3 -31,-0.0 -18,-0.3 0.293 122.5 -88.3-118.9 5.8 -7.2 -3.1 2.6 75 75 A G E < S-F 72 0C 18 -3,-1.5 -3,-3.0 -20,-0.1 -1,-0.4 -0.914 71.9 -17.8 126.1-152.8 -5.5 -5.4 0.1 76 76 A D E -F 71 0C 53 -2,-0.3 11,-1.1 -5,-0.3 2,-0.3 -0.457 55.9-163.1 -90.2 164.5 -4.6 -9.1 0.1 77 77 A W E -FG 70 86C 9 -7,-1.7 -7,-2.4 9,-0.2 2,-0.3 -0.994 8.2-177.2-149.2 152.2 -4.4 -11.3 3.2 78 78 A A E - G 0 85C 0 7,-2.2 7,-1.4 -2,-0.3 2,-0.8 -0.977 29.5-117.3-147.6 159.4 -3.0 -14.7 4.2 79 79 A F E + G 0 84C 102 -2,-0.3 2,-0.3 -12,-0.2 5,-0.2 -0.870 46.9 155.7-103.1 106.5 -2.9 -17.1 7.1 80 80 A E E > + G 0 83C 67 3,-1.8 3,-1.9 -2,-0.8 -2,-0.1 -0.973 60.0 7.6-133.7 147.2 0.6 -17.5 8.4 81 81 A N T 3 S- 0 0 130 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.772 126.6 -67.5 56.6 25.6 2.2 -18.5 11.7 82 82 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.801 115.0 106.8 66.0 28.7 -1.4 -19.3 12.8 83 83 A N E < S- G 0 80C 53 -3,-1.9 -3,-1.8 -5,-0.0 2,-1.3 -0.981 79.3-110.1-139.6 151.3 -2.2 -15.6 12.7 84 84 A W E + G 0 79C 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.653 54.4 160.7 -82.6 93.1 -4.2 -13.3 10.4 85 85 A d E - G 0 78C 0 -7,-1.4 -7,-2.2 -2,-1.3 -23,-0.2 -0.746 36.2-112.6-112.8 161.0 -1.5 -11.2 8.7 86 86 A G E -eG 62 77C 0 -25,-1.7 -23,-2.9 -31,-0.9 -22,-0.5 -0.555 34.0-100.0 -92.4 158.3 -1.5 -9.1 5.6 87 87 A I - 0 0 2 -11,-1.1 -32,-0.9 -2,-0.2 -11,-0.2 -0.534 41.1-107.3 -77.7 139.9 0.5 -9.9 2.4 88 88 A K B > -D 54 0B 40 -23,-0.4 3,-2.4 -34,-0.2 -34,-0.3 -0.387 19.4-125.8 -66.5 140.2 3.7 -8.0 1.8 89 89 A N G > S+ 0 0 11 -36,-1.4 3,-0.5 1,-0.3 4,-0.4 0.752 113.9 61.1 -57.7 -22.3 3.6 -5.2 -0.9 90 90 A S G 3 S+ 0 0 30 -37,-0.5 -1,-0.3 1,-0.2 2,-0.3 0.676 90.0 70.3 -77.7 -17.5 6.6 -7.1 -2.4 91 91 A e G < S+ 0 0 24 -3,-2.4 -1,-0.2 1,-0.1 -23,-0.1 -0.179 83.3 79.3 -92.2 40.7 4.3 -10.1 -2.8 92 92 A K S < S- 0 0 67 -3,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.785 100.2 -27.5-107.6 -70.3 2.3 -8.4 -5.6 93 93 A Q - 0 0 114 -4,-0.4 -1,-0.4 1,-0.1 3,-0.3 -0.926 39.5-132.6-146.4 168.9 4.1 -8.5 -8.9 94 94 A Q S S+ 0 0 166 -2,-0.3 2,-0.9 1,-0.2 -45,-0.2 0.887 102.2 51.8 -91.0 -49.7 7.6 -8.7 -10.4 95 95 A P S S+ 0 0 107 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.153 73.7 153.6 -82.9 42.2 7.5 -5.9 -13.0 96 96 A Q - 0 0 50 -2,-0.9 -47,-0.3 -3,-0.3 -48,-0.1 -0.629 67.2 -16.8 -77.0 106.4 6.2 -3.4 -10.5 97 97 A N S S- 0 0 92 -2,-0.9 3,-0.3 -49,-0.1 -48,-0.1 0.639 97.2 -75.7 68.3 129.3 7.3 0.0 -11.9 98 98 A N S S- 0 0 146 1,-0.2 2,-1.3 2,-0.1 -2,-0.0 0.025 72.0 -66.8 -49.0 161.1 10.0 0.2 -14.5 99 99 A N 0 0 135 1,-0.3 -1,-0.2 -4,-0.0 -2,-0.1 -0.334 360.0 360.0 -56.6 90.8 13.6 -0.3 -13.5 100 100 A Q 0 0 217 -2,-1.3 -1,-0.3 -3,-0.3 -2,-0.1 0.699 360.0 360.0 43.6 360.0 14.0 2.8 -11.3