==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUL-08 2VY0 . COMPND 2 MOLECULE: ENDO-BETA-1,3-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR A.ILARI,A.FIORILLO . 527 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 225 42.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 54 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 4 2 4 7 7 4 2 2 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 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 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 34 A M 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.0 -10.3 -4.4 31.1 2 35 A V - 0 0 55 1,-0.0 2,-0.4 2,-0.0 13,-0.0 -0.750 360.0-135.2 -92.8 115.9 -8.5 -1.1 30.8 3 36 A P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 12,-0.0 -0.535 9.5-161.5 -69.9 120.4 -9.1 1.4 33.6 4 37 A E S S+ 0 0 147 -2,-0.4 11,-3.2 1,-0.2 2,-0.4 0.795 81.6 34.4 -68.8 -31.7 -9.8 4.9 32.1 5 38 A V E S-A 14 0A 55 9,-0.2 2,-0.3 254,-0.1 9,-0.2 -0.988 71.8-174.0-127.9 135.2 -9.0 6.5 35.5 6 39 A I E -A 13 0A 29 7,-2.3 7,-2.3 -2,-0.4 2,-0.5 -0.884 18.1-142.1-122.8 156.7 -6.5 5.3 38.2 7 40 A E E +AB 12 467A 17 460,-0.5 460,-1.2 -2,-0.3 2,-0.3 -0.969 39.8 142.3-121.6 113.2 -5.7 6.3 41.7 8 41 A I E > +A 11 0A 14 3,-2.0 3,-2.1 -2,-0.5 458,-0.1 -0.990 60.0 12.3-148.6 147.2 -2.1 6.2 42.6 9 42 A D T 3 S- 0 0 6 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.791 129.0 -60.1 54.3 31.2 0.3 8.4 44.7 10 43 A G T 3 S+ 0 0 14 1,-0.2 2,-0.3 265,-0.0 -1,-0.3 0.427 116.7 99.6 83.6 -0.8 -2.6 10.2 46.2 11 44 A K E < -A 8 0A 53 -3,-2.1 -3,-2.0 251,-0.0 2,-0.4 -0.800 69.7-122.8-120.4 160.0 -3.9 11.5 42.8 12 45 A Q E -AC 7 263A 65 251,-2.4 250,-2.0 -2,-0.3 251,-1.1 -0.794 32.0-170.5 -92.5 138.5 -6.5 10.7 40.2 13 46 A W E -AC 6 261A 0 -7,-2.3 -7,-2.3 -2,-0.4 2,-0.4 -0.983 11.6-145.5-136.8 148.2 -5.1 10.1 36.7 14 47 A R E -AC 5 260A 127 246,-2.9 246,-3.2 -2,-0.3 -9,-0.2 -0.914 27.0-108.2-118.4 136.3 -6.8 9.7 33.3 15 48 A L E + C 0 259A 35 -11,-3.2 244,-0.3 -2,-0.4 3,-0.1 -0.434 42.8 160.5 -64.8 124.9 -5.7 7.5 30.4 16 49 A I E + 0 0 82 242,-2.5 2,-0.3 1,-0.4 243,-0.2 0.543 66.3 8.4-117.9 -19.4 -4.3 9.5 27.5 17 50 A W E + C 0 258A 21 241,-1.6 241,-3.1 79,-0.0 -1,-0.4 -0.957 64.2 154.3-161.9 145.5 -2.4 6.8 25.7 18 51 A H E - C 0 257A 59 -2,-0.3 2,-0.4 239,-0.2 239,-0.2 -0.981 29.0-149.2-165.0 156.7 -1.9 3.0 25.7 19 52 A D E + C 0 256A 15 237,-2.7 237,-2.1 -2,-0.3 -2,-0.0 -0.949 11.8 178.4-129.9 113.5 -0.9 -0.0 23.8 20 53 A E - 0 0 28 -2,-0.4 -1,-0.1 235,-0.2 237,-0.1 0.453 42.3-128.1 -89.0 -3.5 -2.7 -3.2 25.0 21 54 A F + 0 0 1 1,-0.2 43,-0.3 235,-0.1 2,-0.1 0.835 53.2 154.4 56.0 37.6 -1.0 -5.2 22.2 22 55 A E + 0 0 121 42,-0.2 3,-0.2 41,-0.1 2,-0.2 -0.416 42.2 33.8 -83.0 167.5 -4.2 -6.7 21.0 23 56 A G S S- 0 0 63 1,-0.2 41,-0.4 -2,-0.1 40,-0.1 -0.526 100.1 -80.5 82.4-152.6 -4.6 -7.8 17.4 24 57 A S S S+ 0 0 99 -2,-0.2 37,-0.6 1,-0.1 2,-0.4 0.473 98.2 70.7-131.3 -9.7 -1.6 -9.3 15.5 25 58 A E S S- 0 0 167 -3,-0.2 2,-0.3 35,-0.1 -1,-0.1 -0.886 79.8-112.7-117.2 145.4 0.5 -6.4 14.3 26 59 A V - 0 0 24 -2,-0.4 2,-1.0 33,-0.1 35,-0.0 -0.586 40.3-113.5 -69.3 129.6 2.7 -3.9 16.2 27 60 A N >> - 0 0 59 -2,-0.3 4,-2.5 1,-0.2 3,-1.5 -0.594 31.5-173.2 -72.1 100.8 1.2 -0.4 16.0 28 61 A K T 34 S+ 0 0 103 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.446 79.7 73.6 -79.8 -0.5 3.7 1.5 13.9 29 62 A E T 34 S+ 0 0 153 1,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.668 116.5 23.3 -73.2 -19.4 1.7 4.7 14.6 30 63 A Y T <4 S+ 0 0 63 -3,-1.5 66,-0.3 1,-0.2 2,-0.3 0.777 120.4 54.0-108.6 -45.8 3.3 4.3 18.0 31 64 A W < - 0 0 0 -4,-2.5 2,-0.4 64,-0.1 61,-0.2 -0.734 48.5-169.1-112.0 145.9 6.5 2.1 17.6 32 65 A T E -U 91 0B 45 59,-2.3 59,-2.2 -2,-0.3 2,-0.6 -0.995 25.6-127.6-127.3 134.5 9.7 2.1 15.6 33 66 A F E -U 90 0B 19 -2,-0.4 57,-0.2 57,-0.2 2,-0.2 -0.720 17.0-143.0 -83.2 119.7 12.1 -0.8 15.5 34 67 A E - 0 0 18 55,-3.3 55,-0.5 -2,-0.6 2,-0.4 -0.576 22.4-145.7 -74.0 146.4 15.7 0.1 16.2 35 68 A K - 0 0 101 -2,-0.2 3,-0.5 53,-0.1 5,-0.2 -0.910 40.3 -8.3-121.7 145.6 18.0 -2.0 14.1 36 69 A G B S-B 54 0C 0 18,-2.7 18,-2.5 -2,-0.4 -2,-0.0 -0.194 92.6 -52.5 81.2-161.2 21.5 -3.5 14.6 37 70 A N S S- 0 0 14 16,-0.2 9,-1.5 14,-0.0 8,-1.3 0.196 85.8 -87.0-109.5 9.9 24.1 -3.3 17.3 38 71 A G S > >S+ 0 0 0 -3,-0.5 5,-2.3 7,-0.2 3,-1.9 0.255 94.5 118.1 107.8 -10.7 24.4 0.5 17.5 39 72 A I G > 5 + 0 0 72 1,-0.3 3,-2.1 3,-0.2 -3,-0.1 0.809 67.2 70.0 -57.5 -32.1 26.9 1.2 14.8 40 73 A A G 3 5S+ 0 0 78 1,-0.3 -1,-0.3 -5,-0.2 -4,-0.1 0.681 106.4 38.7 -61.0 -19.8 24.3 3.3 12.9 41 74 A Y G < 5S- 0 0 102 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.229 123.9-104.7-109.8 9.3 24.5 5.9 15.6 42 75 A G T < 5S+ 0 0 56 -3,-2.1 -3,-0.2 -4,-0.1 -2,-0.1 0.747 92.5 110.9 70.8 26.0 28.3 5.5 16.0 43 76 A I > < - 0 0 76 -5,-2.3 3,-1.6 5,-0.0 4,-0.2 -0.695 55.7-156.6-131.2 80.4 27.9 3.5 19.2 44 77 A P G > S+ 0 0 82 0, 0.0 3,-1.3 0, 0.0 5,-0.5 -0.277 85.6 18.6 -53.1 138.7 28.9 -0.2 18.7 45 78 A G G > >S- 0 0 5 -8,-1.3 5,-2.3 1,-0.2 3,-2.0 0.690 129.1 -80.3 66.9 20.2 27.3 -2.4 21.4 46 79 A W G < 5S- 0 0 10 -3,-1.6 -1,-0.2 -9,-1.5 -8,-0.1 0.714 79.8 -67.8 57.1 24.8 24.8 0.5 21.9 47 80 A G G < 5S+ 0 0 47 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.1 0.417 134.9 79.5 79.5 0.8 27.5 2.1 24.1 48 81 A N T < 5S- 0 0 52 -3,-2.0 188,-3.0 -5,-0.2 189,-0.2 0.277 109.9-103.8-122.3 5.5 27.1 -0.6 26.7 49 82 A G T 5 + 0 0 21 -5,-0.5 186,-0.4 186,-0.3 -4,-0.2 0.729 61.1 173.3 74.3 24.7 29.1 -3.5 25.1 50 83 A E < - 0 0 10 -5,-2.3 184,-0.2 184,-0.2 -1,-0.2 -0.311 28.4-156.1 -68.7 148.4 25.9 -5.2 24.1 51 84 A L + 0 0 54 182,-3.0 34,-0.6 -6,-0.1 33,-0.4 0.632 57.0 101.1-100.4 -18.7 26.1 -8.3 21.9 52 85 A E E - c 0 85C 0 181,-0.9 2,-0.5 182,-0.1 34,-0.3 -0.290 59.7-143.4 -75.4 151.4 22.6 -8.3 20.3 53 86 A Y E - c 0 86C 32 32,-2.5 34,-1.6 -16,-0.1 2,-0.2 -0.979 27.3-131.5-108.0 119.0 21.7 -7.2 16.8 54 87 A Y E +Bc 36 87C 0 -18,-2.5 -18,-2.7 -2,-0.5 2,-0.3 -0.522 34.8 165.9 -78.0 135.9 18.3 -5.5 16.9 55 88 A T - 0 0 15 32,-3.0 34,-0.3 -2,-0.2 -21,-0.2 -0.839 43.0-126.6-135.7 172.4 15.7 -6.6 14.3 56 89 A E S > S+ 0 0 72 -2,-0.3 3,-1.8 -23,-0.1 -1,-0.1 0.799 104.0 60.4 -86.5 -38.1 11.9 -6.3 13.7 57 90 A N T 3 S+ 0 0 114 1,-0.3 -1,-0.1 30,-0.1 31,-0.1 0.563 87.0 73.3 -79.0 -2.5 11.2 -10.0 13.3 58 91 A N T 3 S+ 0 0 0 29,-0.3 11,-2.8 10,-0.0 2,-0.4 0.472 93.8 71.4 -78.2 -2.4 12.4 -10.8 16.8 59 92 A T E < +D 68 0A 14 -3,-1.8 2,-0.3 9,-0.2 9,-0.2 -0.930 58.3 157.4-115.0 139.7 9.1 -9.2 17.9 60 93 A Y E -D 67 0A 84 7,-1.7 7,-2.9 -2,-0.4 2,-0.5 -0.961 34.6-123.0-148.2 167.1 5.6 -10.5 17.4 61 94 A I E +D 66 0A 16 -37,-0.6 2,-0.3 -2,-0.3 5,-0.2 -0.966 35.9 160.7-117.2 123.0 2.2 -10.1 19.0 62 95 A V E > -D 65 0A 63 3,-2.2 3,-1.4 -2,-0.5 -38,-0.1 -0.999 61.1 -5.9-142.5 141.1 0.4 -13.1 20.4 63 96 A N T 3 S- 0 0 159 -2,-0.3 -41,-0.1 1,-0.3 3,-0.1 0.809 128.3 -50.5 45.7 44.1 -2.5 -13.5 22.9 64 97 A G T 3 S+ 0 0 7 -41,-0.4 2,-0.4 -43,-0.3 -1,-0.3 0.703 117.4 112.7 75.7 22.9 -2.7 -9.8 23.8 65 98 A T E < -D 62 0A 18 -3,-1.4 -3,-2.2 -44,-0.1 2,-0.5 -0.979 64.5-137.2-135.8 130.6 1.0 -9.6 24.4 66 99 A L E -DE 61 253A 0 187,-3.4 187,-3.4 -2,-0.4 2,-0.6 -0.804 26.0-160.0 -79.0 128.0 4.0 -8.0 22.8 67 100 A V E -DE 60 252A 3 -7,-2.9 -7,-1.7 -2,-0.5 2,-0.7 -0.949 11.3-171.2-114.3 112.3 6.8 -10.6 22.8 68 101 A I E -DE 59 251A 0 183,-3.1 183,-3.5 -2,-0.6 2,-0.6 -0.919 19.1-163.4 -96.8 115.1 10.3 -9.2 22.4 69 102 A E E - E 0 250A 18 -11,-2.8 2,-0.4 -2,-0.7 181,-0.2 -0.898 14.8-152.5-112.6 119.9 12.4 -12.4 21.8 70 103 A A E - E 0 249A 0 179,-3.3 179,-2.4 -2,-0.6 2,-0.4 -0.726 23.2-163.8 -81.4 134.6 16.2 -12.6 22.2 71 104 A R E -D 86 0C 40 15,-3.1 15,-2.2 -2,-0.4 2,-1.1 -0.968 25.7-132.4-128.3 137.7 17.5 -15.4 20.0 72 105 A K E +D 85 0C 127 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.793 61.3 126.9 -83.7 100.0 20.8 -17.3 19.8 73 106 A E E - 0 0 74 11,-1.7 2,-0.2 -2,-1.1 -2,-0.1 -0.952 61.8-109.6-160.6 139.7 21.5 -17.0 16.1 74 107 A I E + 0 0 120 -2,-0.3 2,-0.4 8,-0.1 10,-0.2 -0.503 36.4 177.3 -70.1 131.4 24.2 -15.9 13.8 75 108 A I E -D 83 0C 42 8,-2.4 8,-2.4 -2,-0.2 2,-0.5 -0.960 12.3-161.7-140.3 122.1 23.5 -12.7 11.8 76 109 A T E -D 82 0C 92 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.914 7.0-177.5-105.4 122.2 25.9 -11.0 9.5 77 110 A D E >> -D 81 0C 21 4,-3.3 4,-2.6 -2,-0.5 3,-1.5 -0.986 22.0-146.8-116.6 117.8 25.3 -7.4 8.5 78 111 A P T 34 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.803 100.5 48.0 -51.4 -32.6 27.9 -6.1 6.0 79 112 A N T 34 S+ 0 0 127 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.624 127.5 20.2 -84.4 -17.9 27.7 -2.6 7.6 80 113 A E T <4 S- 0 0 42 -3,-1.5 2,-0.3 1,-0.3 -1,-0.1 0.738 102.4-114.5-120.3 -46.5 28.0 -3.7 11.3 81 114 A G E < - 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