==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-11 3ZQ9 . COMPND 2 MOLECULE: XYLOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA; . AUTHOR A.ARIZA,J.M.EKLOF,O.SPADIUT,W.A.OFFEN,S.M.ROBERTS,W.BESENMAT . 512 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 3 0.6 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 . 35 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 4 0 3 0 0 1 0 1 2 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 3 0 1 0 1 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 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 1 0 1 0 1 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 7 A A 0 0 139 0, 0.0 2,-0.3 0, 0.0 453,-0.1 0.000 360.0 360.0 360.0 136.7 -25.8 33.0 -0.9 2 8 A K E -a 454 0A 75 451,-0.6 453,-3.1 454,-0.0 2,-0.4 -0.673 360.0-156.1 -84.8 139.5 -24.6 33.1 2.7 3 9 A T E -a 455 0A 79 -2,-0.3 2,-0.4 451,-0.2 453,-0.2 -0.967 6.4-168.8-113.4 135.5 -24.5 36.5 4.5 4 10 A I E -a 456 0A 0 451,-2.5 453,-2.9 -2,-0.4 2,-0.5 -0.946 14.9-139.4-115.2 144.2 -22.2 37.1 7.5 5 11 A T E -a 457 0A 55 -2,-0.4 417,-2.0 451,-0.2 2,-0.4 -0.898 15.9-170.3-109.1 138.0 -22.5 40.2 9.6 6 12 A I E -aB 458 421A 1 451,-2.8 453,-2.7 -2,-0.5 2,-0.5 -0.991 5.0-161.4-127.4 127.3 -19.5 42.1 10.9 7 13 A K E -aB 459 420A 120 413,-2.1 413,-2.7 -2,-0.4 2,-0.5 -0.953 7.9-175.2-114.1 122.9 -19.7 44.9 13.5 8 14 A V E -aB 460 419A 2 451,-2.5 453,-2.8 -2,-0.5 2,-0.5 -0.979 3.2-175.9-118.6 125.4 -16.7 47.3 13.7 9 15 A D E > -aB 461 418A 41 409,-2.0 3,-1.3 -2,-0.5 409,-0.8 -0.936 11.6-166.7-126.7 106.8 -16.7 49.9 16.5 10 16 A T T 3 S+ 0 0 3 451,-2.5 452,-0.1 -2,-0.5 -1,-0.1 0.564 89.8 55.3 -69.2 -9.4 -13.7 52.3 16.3 11 17 A F T 3 S+ 0 0 112 450,-0.2 3,-0.4 407,-0.1 2,-0.4 0.623 95.7 85.9 -90.0 -16.9 -14.5 53.6 19.9 12 18 A K S < S- 0 0 76 -3,-1.3 406,-2.3 1,-0.2 -3,-0.2 -0.723 98.1 -11.4-108.3 136.1 -14.4 50.2 21.5 13 19 A D S S- 0 0 100 -2,-0.4 -1,-0.2 404,-0.2 2,-0.1 0.822 74.8-176.0 54.7 38.7 -11.5 48.1 22.9 14 20 A R + 0 0 117 -3,-0.4 403,-0.2 403,-0.1 -1,-0.2 -0.443 10.9 161.8 -63.6 135.3 -8.8 50.3 21.4 15 21 A K E -E 416 0B 58 401,-1.7 401,-3.1 -2,-0.1 2,-0.1 -0.979 41.1-100.5-156.6 148.0 -5.4 48.9 22.1 16 22 A P E -E 415 0B 110 0, 0.0 2,-0.7 0, 0.0 399,-0.2 -0.423 25.8-143.8 -72.6 138.1 -1.9 49.4 20.7 17 23 A I - 0 0 12 397,-3.0 359,-0.1 -2,-0.1 358,-0.1 -0.916 21.2-129.2 -97.4 115.8 -0.6 46.9 18.2 18 24 A S > - 0 0 25 -2,-0.7 3,-1.8 361,-0.4 4,-0.2 -0.521 9.4-142.3 -60.4 124.5 3.1 46.4 18.8 19 25 A P G > S+ 0 0 63 0, 0.0 3,-1.9 0, 0.0 16,-0.3 0.779 93.8 75.8 -62.5 -19.8 4.8 46.8 15.4 20 26 A Y G 3 S+ 0 0 56 360,-0.4 362,-2.3 1,-0.3 360,-0.1 0.516 73.0 78.5 -76.2 -2.2 7.2 44.1 16.4 21 27 A I G < S+ 0 0 0 -3,-1.8 2,-1.1 360,-0.3 -1,-0.3 0.580 81.9 72.7 -71.1 -11.0 4.5 41.4 15.7 22 28 A Y S < S+ 0 0 6 -3,-1.9 13,-3.2 -4,-0.2 14,-1.2 -0.716 83.3 125.8 -97.9 80.4 5.5 42.0 12.1 23 29 A G E -kl 36 383C 0 -2,-1.1 361,-2.0 359,-0.7 2,-0.3 -0.908 38.6-169.9-140.7 161.6 8.7 40.2 12.5 24 30 A T E -kl 37 384C 0 12,-1.9 14,-1.8 359,-0.3 361,-0.2 -0.925 24.7-148.1-147.6 168.5 10.8 37.4 11.0 25 31 A N S S+ 0 0 10 359,-1.7 2,-0.2 1,-0.4 13,-0.2 0.687 94.9 34.8 -96.3 -82.6 13.9 35.2 11.5 26 32 A Q S S- 0 0 46 358,-0.3 -1,-0.4 1,-0.1 358,-0.1 -0.483 97.2-113.5 -68.5 133.8 14.9 34.6 7.8 27 33 A D - 0 0 70 -2,-0.2 -1,-0.1 -3,-0.1 10,-0.0 -0.415 34.4-157.7 -63.7 142.0 14.3 37.6 5.6 28 34 A L - 0 0 31 368,-0.0 -1,-0.1 -3,-0.0 365,-0.1 0.432 58.5 -32.7 -95.8-124.6 11.6 36.8 3.0 29 35 A A S S- 0 0 76 363,-0.1 -2,-0.1 1,-0.1 362,-0.0 0.778 80.3-120.5 -74.5 -24.2 11.1 38.6 -0.3 30 36 A G S S+ 0 0 60 366,-0.0 3,-0.2 0, 0.0 -1,-0.1 0.283 96.2 82.1 104.0 -9.1 12.2 41.9 1.1 31 37 A D + 0 0 67 1,-0.1 378,-0.1 2,-0.1 376,-0.1 0.105 56.9 99.3-112.0 27.0 9.1 43.9 0.5 32 38 A E S S- 0 0 5 370,-0.0 -1,-0.1 377,-0.0 371,-0.1 0.573 82.6-134.8 -83.6 -11.5 7.2 42.8 3.5 33 39 A N - 0 0 46 -3,-0.2 -2,-0.1 1,-0.1 -11,-0.0 0.946 32.4-167.5 55.9 51.5 8.1 46.0 5.4 34 40 A M - 0 0 16 1,-0.1 -11,-0.2 -4,-0.0 -1,-0.1 -0.287 22.5-159.1 -63.8 158.1 9.0 44.1 8.6 35 41 A A S S+ 0 0 10 -13,-3.2 64,-2.4 -16,-0.3 2,-0.3 0.456 73.9 39.9-113.7 -6.7 9.5 45.9 11.9 36 42 A A E -km 23 99C 0 -14,-1.2 -12,-1.9 62,-0.3 2,-0.4 -1.000 57.8-172.8-147.8 140.1 11.5 43.3 13.7 37 43 A R E -km 24 100C 11 62,-2.2 64,-2.0 -2,-0.3 2,-0.4 -0.992 9.6-154.5-133.5 144.0 14.3 40.8 12.8 38 44 A R E - m 0 101C 5 -14,-1.8 2,-0.7 -2,-0.4 64,-0.2 -0.957 13.5-161.2-121.8 137.5 15.8 38.0 14.9 39 45 A L E + m 0 102C 16 62,-3.1 64,-1.6 -2,-0.4 2,-0.2 -0.919 58.1 107.9-109.6 99.2 19.2 36.4 14.7 40 46 A G + 0 0 11 -2,-0.7 3,-0.2 62,-0.1 2,-0.1 -0.838 23.2 91.6-159.1-178.7 18.4 33.2 16.6 41 47 A G S >> S- 0 0 1 -2,-0.2 3,-1.9 1,-0.2 4,-0.5 -0.428 86.7 -37.4 103.3-177.2 17.8 29.5 16.4 42 48 A N H >> S+ 0 0 32 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.850 128.5 57.2 -58.3 -42.8 19.9 26.3 16.7 43 49 A R H 34 S+ 0 0 34 1,-0.2 12,-0.4 -3,-0.2 -1,-0.3 0.747 98.0 63.2 -59.9 -22.4 23.0 27.7 15.0 44 50 A M H X4 S+ 0 0 3 -3,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.725 84.5 73.6 -80.9 -16.9 23.3 30.6 17.5 45 51 A T H << S+ 0 0 0 -3,-1.3 62,-0.3 -4,-0.5 63,-0.2 0.923 111.6 27.7 -62.0 -44.2 23.9 28.4 20.6 46 52 A G T 3< S+ 0 0 0 -4,-0.5 65,-2.9 9,-0.4 2,-0.3 0.169 88.8 134.5-105.4 17.6 27.4 27.6 19.5 47 53 A Y < - 0 0 8 -3,-0.9 2,-0.7 63,-0.2 7,-0.2 -0.536 44.2-151.0 -71.4 128.9 28.2 30.8 17.5 48 54 A N >> - 0 0 0 5,-3.1 4,-2.1 -2,-0.3 3,-0.8 -0.896 3.3-160.3-105.0 110.1 31.6 32.2 18.3 49 55 A W T 34 S+ 0 0 7 -2,-0.7 34,-3.3 1,-0.2 35,-0.2 0.760 84.7 65.7 -66.5 -22.8 31.5 36.0 17.8 50 56 A E T 34 S+ 0 0 4 32,-0.2 -1,-0.2 1,-0.2 34,-0.1 0.846 125.2 7.1 -68.8 -35.8 35.3 36.2 17.6 51 57 A N T <4 S- 0 0 41 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.353 96.3-119.1-130.5 3.8 35.6 34.2 14.3 52 58 A N < + 0 0 0 -4,-2.1 16,-0.3 1,-0.2 17,-0.3 0.527 63.8 142.3 70.3 7.9 31.9 33.8 13.3 53 59 A M + 0 0 23 -5,-0.4 -5,-3.1 58,-0.2 2,-0.3 -0.432 22.7 173.4 -78.0 152.6 32.1 30.0 13.4 54 60 A S E -S 65 0D 0 11,-1.7 11,-2.5 -7,-0.2 2,-0.4 -0.937 27.6-118.3-151.1 171.0 29.1 28.0 14.7 55 61 A N E -S 64 0D 1 -12,-0.4 -9,-0.4 -2,-0.3 9,-0.3 -0.976 5.1-151.9-124.9 127.8 28.0 24.4 15.0 56 62 A A > - 0 0 2 7,-2.7 3,-1.6 -2,-0.4 5,-0.1 0.656 29.7-167.7 -64.6 -19.1 24.9 22.8 13.3 57 63 A G G > > - 0 0 0 1,-0.3 5,-2.3 3,-0.2 3,-1.7 -0.302 66.4 -13.7 56.5-142.1 24.4 20.2 16.0 58 64 A S G 3 5S+ 0 0 55 130,-2.7 3,-0.3 1,-0.3 -1,-0.3 0.595 127.0 75.5 -69.8 -10.7 22.0 17.5 15.1 59 65 A D G < 5S+ 0 0 108 -3,-1.6 -1,-0.3 129,-0.3 -2,-0.2 0.821 116.2 6.8 -69.7 -29.8 20.8 19.5 12.1 60 66 A W T X 5S- 0 0 151 -3,-1.7 3,-2.3 -4,-0.1 -4,-0.3 -0.559 119.7 -59.6-160.0 92.4 23.9 18.7 10.2 61 67 A Q T 3 5S- 0 0 113 -3,-0.3 57,-0.5 1,-0.3 -3,-0.2 0.628 86.6 -80.1 57.9 20.3 26.7 16.2 11.3 62 68 A Q T 3 > S+ 0 0 72 -2,-0.3 4,-2.0 48,-0.3 3,-1.2 0.065 71.3 129.2 -93.4 27.0 31.1 29.2 8.5 67 73 A Y H 3> S+ 0 0 101 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.847 70.0 55.0 -49.0 -42.2 27.4 28.6 7.7 68 74 A L H 3> S+ 0 0 8 -3,-0.4 4,-1.6 -16,-0.3 -1,-0.3 0.825 106.4 51.7 -70.1 -27.1 26.3 31.8 9.4 69 75 A a H <>>S+ 0 0 2 -3,-1.2 5,-2.5 -17,-0.3 4,-0.5 0.926 113.3 45.3 -67.7 -43.4 28.8 33.8 7.2 70 76 A S H ><5S+ 0 0 76 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.952 112.9 49.3 -63.7 -49.7 27.3 32.2 4.1 71 77 A N H 3<5S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.821 111.9 50.3 -58.1 -34.8 23.7 32.7 5.3 72 78 A G H 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.501 114.0-115.6 -83.6 -7.3 24.5 36.4 6.0 73 79 A G T <<5 + 0 0 63 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.2 0.700 60.6 156.6 82.1 19.5 26.0 37.0 2.6 74 80 A L < - 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