==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-06 2CN2 . COMPND 2 MOLECULE: BETA-1,4-XYLOGLUCAN HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR C.MARTINEZ-FLEITES,E.J.TAYLOR,C.I.GUERREIRO,J.A.M.PRATES, . 2816 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 96530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1636 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 891 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 27 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 32 1.1 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 . 205 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 256 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.3 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 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 . 8 4 0 4 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 . 17 33 25 60 20 11 15 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 . 4 0 48 4 4 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 33 A V 0 0 60 0, 0.0 664,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 120.5 53.5 60.9 61.2 2 34 A T E -a 665 0A 99 662,-0.6 664,-2.8 1,-0.0 2,-0.3 -0.422 360.0-126.5 -86.5 166.5 50.3 59.4 62.8 3 35 A S E -a 666 0A 76 662,-0.2 664,-0.2 -2,-0.1 666,-0.1 -0.829 10.3-155.9-114.0 152.9 49.9 55.8 63.9 4 36 A V - 0 0 41 662,-2.1 2,-0.2 -2,-0.3 661,-0.0 -0.984 35.0-102.5-122.8 140.3 47.3 53.1 63.0 5 37 A P - 0 0 97 0, 0.0 701,-2.7 0, 0.0 2,-0.3 -0.413 43.5-176.0 -68.8 130.9 46.7 50.2 65.4 6 38 A Y E -F 705 0B 16 699,-0.3 2,-0.5 -2,-0.2 697,-0.0 -0.889 25.7-133.7-123.8 155.8 48.3 46.8 64.4 7 39 A K E -F 704 0B 141 697,-3.1 697,-1.4 -2,-0.3 2,-0.4 -0.959 29.5-161.4-108.3 118.1 48.2 43.3 65.7 8 40 A W E +F 703 0B 22 -2,-0.5 2,-0.3 695,-0.2 695,-0.2 -0.815 20.6 146.9-109.6 141.3 51.7 41.8 65.9 9 41 A D E -F 702 0B 56 693,-2.0 693,-3.0 -2,-0.4 2,-0.4 -0.965 44.2 -95.1-158.6 165.2 52.8 38.2 66.1 10 42 A N E -F 701 0B 13 -2,-0.3 2,-0.4 691,-0.2 691,-0.3 -0.732 30.1-126.2 -84.2 138.5 55.5 35.7 65.0 11 43 A V E -F 700 0B 0 689,-2.5 689,-0.5 -2,-0.4 2,-0.5 -0.750 47.0-107.0 -70.2 131.9 55.1 33.6 61.9 12 44 A V + 0 0 28 427,-2.6 429,-0.2 -2,-0.4 426,-0.1 -0.552 57.2 153.0 -77.0 118.0 55.7 30.1 63.5 13 45 A I - 0 0 0 -2,-0.5 329,-0.2 429,-0.2 -1,-0.2 0.689 52.0-142.6 -95.0 -41.2 59.0 28.4 62.8 14 46 A G + 0 0 6 393,-0.2 326,-0.1 -3,-0.2 391,-0.1 0.305 63.3 42.6 95.1 140.2 58.6 26.5 66.1 15 47 A G S S- 0 0 0 324,-0.2 2,-1.6 1,-0.2 368,-0.2 0.684 109.0 -84.2 71.1 23.9 61.0 25.4 68.8 16 48 A G B -i 408 0C 2 391,-1.9 393,-3.2 388,-0.4 394,-0.5 -0.559 45.0-142.3 85.4 -77.3 63.2 28.5 69.0 17 49 A G + 0 0 2 364,-2.0 365,-0.2 -2,-1.6 2,-0.2 0.389 67.8 52.3 100.1 -1.1 65.7 27.9 66.2 18 50 A G S S- 0 0 6 363,-0.3 2,-0.6 -3,-0.1 -1,-0.3 -0.650 94.7 -58.1-143.7-162.8 68.8 29.3 67.9 19 51 A F - 0 0 15 -2,-0.2 19,-1.3 390,-0.2 20,-0.3 -0.845 32.6-174.5 -98.3 117.5 71.0 29.2 70.9 20 52 A X - 0 0 2 359,-0.8 17,-0.2 -2,-0.6 344,-0.1 -0.941 10.0-166.0-104.4 101.6 69.5 30.1 74.3 21 53 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 16,-0.1 0.633 61.9 31.4 -70.3 -15.8 72.6 30.1 76.5 22 54 A G E -J 36 0D 0 14,-1.1 14,-2.3 355,-0.1 2,-0.4 -0.999 48.2-168.2-147.6 145.4 70.7 30.0 79.8 23 55 A I E -J 35 0D 1 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.996 17.8-165.5-120.4 134.0 67.6 28.9 81.7 24 56 A V E -J 34 0D 22 10,-2.9 10,-2.5 -2,-0.4 2,-0.3 -0.949 3.4-163.0-127.5 116.0 66.8 30.3 85.2 25 57 A F E -J 33 0D 15 -2,-0.5 2,-0.3 8,-0.2 8,-0.2 -0.720 28.2-115.5 -85.3 142.0 64.3 28.9 87.7 26 58 A N - 0 0 0 6,-2.6 6,-0.2 -2,-0.3 5,-0.1 -0.616 19.2-140.6 -71.7 135.6 63.1 31.0 90.6 27 59 A E S S+ 0 0 121 47,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.694 93.7 28.5 -71.6 -21.5 64.2 29.4 93.9 28 60 A T S S+ 0 0 76 1,-0.2 2,-0.6 47,-0.1 -1,-0.1 0.717 106.9 67.0-118.1 -28.8 61.0 30.1 95.8 29 61 A E S > S- 0 0 74 3,-0.1 3,-1.4 50,-0.0 -3,-0.3 -0.880 76.8-129.1-103.7 122.5 58.0 30.2 93.3 30 62 A K T 3 S+ 0 0 102 -2,-0.6 3,-0.1 1,-0.2 -3,-0.1 -0.308 89.8 14.5 -60.6 141.4 57.0 27.0 91.6 31 63 A D T 3 S+ 0 0 26 1,-0.2 2,-0.9 -5,-0.1 -1,-0.2 0.485 88.0 131.1 69.9 5.7 56.6 27.2 87.7 32 64 A L < + 0 0 6 -3,-1.4 -6,-2.6 -6,-0.2 2,-0.4 -0.816 29.7 156.8 -91.8 107.0 58.5 30.6 87.5 33 65 A I E -J 25 0D 0 -2,-0.9 12,-2.8 12,-0.3 2,-0.3 -0.985 22.9-168.0-133.5 142.7 61.1 30.2 84.8 34 66 A Y E -JK 24 44D 0 -10,-2.5 -10,-2.9 -2,-0.4 2,-0.4 -0.906 4.8-159.6-121.8 155.1 63.0 32.6 82.5 35 67 A A E -JK 23 43D 0 8,-2.3 8,-2.3 -2,-0.3 2,-0.3 -0.999 7.0-150.7-137.0 136.7 65.2 31.9 79.5 36 68 A R E -JK 22 42D 0 -14,-2.3 -14,-1.1 -2,-0.4 2,-0.3 -0.833 6.1-154.4-109.6 145.2 67.9 34.1 77.9 37 69 A A - 0 0 0 4,-2.6 32,-2.1 -2,-0.3 4,-0.3 -0.761 18.3-136.1-112.2 158.3 68.9 34.4 74.3 38 70 A D S S- 0 0 11 -19,-1.3 -18,-0.1 -2,-0.3 -1,-0.1 0.826 106.6 -0.9 -82.7 -34.3 72.2 35.5 72.8 39 71 A I S S+ 0 0 24 -20,-0.3 29,-0.3 29,-0.2 -1,-0.1 0.190 128.4 74.7-124.7 11.4 70.7 37.6 70.0 40 72 A G S S- 0 0 1 1,-0.4 368,-0.2 27,-0.3 28,-0.2 0.191 85.6-126.9-134.0 4.0 67.2 36.9 71.0 41 73 A G - 0 0 1 26,-3.3 -4,-2.6 -4,-0.3 -1,-0.4 -0.433 42.1 -62.8 82.4-151.7 66.0 38.7 74.1 42 74 A A E -K 36 0D 2 -6,-0.2 13,-3.0 -2,-0.1 14,-0.6 -0.959 38.9-157.8-138.7 158.9 64.4 37.0 77.1 43 75 A Y E -KL 35 54D 0 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.4 -0.944 9.5-145.2-133.6 150.7 61.3 34.9 77.8 44 76 A R E -KL 34 53D 40 9,-2.0 9,-3.3 -2,-0.3 -10,-0.2 -0.948 31.4-114.9-112.6 140.5 59.2 34.0 80.8 45 77 A W E - L 0 52D 10 -12,-2.8 -12,-0.3 -2,-0.4 7,-0.2 -0.518 15.0-152.9 -75.2 136.0 57.5 30.5 81.0 46 78 A D E >>> - L 0 51D 40 5,-3.5 5,-1.6 -2,-0.2 4,-1.2 -0.944 8.5-168.8-105.3 105.7 53.8 30.3 80.9 47 79 A P T 345S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 1417,-0.1 0.654 78.7 66.4 -73.7 -14.5 53.1 27.0 82.7 48 80 A S T 345S+ 0 0 22 1,-0.2 1417,-0.0 1414,-0.1 -3,-0.0 0.811 119.6 19.6 -74.1 -28.0 49.4 26.9 81.7 49 81 A T T <45S- 0 0 5 -3,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.460 100.7-117.2-117.7 -4.0 50.3 26.4 78.0 50 82 A E T <5S+ 0 0 34 -4,-1.2 355,-0.3 1,-0.2 2,-0.3 0.921 75.4 125.1 59.4 45.5 53.9 25.1 78.1 51 83 A T E < -L 46 0D 33 -5,-1.6 -5,-3.5 353,-0.1 2,-0.4 -0.894 59.1-123.8-130.7 161.5 54.9 28.2 76.1 52 84 A W E -L 45 0D 5 353,-2.1 -7,-0.2 -2,-0.3 -18,-0.1 -0.889 16.4-146.3-107.8 140.7 57.4 31.1 76.5 53 85 A I E -L 44 0D 50 -9,-3.3 -9,-2.0 -2,-0.4 2,-0.1 -0.917 20.2-125.0-106.7 122.3 56.5 34.8 76.5 54 86 A P E -L 43 0D 41 0, 0.0 -11,-0.2 0, 0.0 -13,-0.1 -0.404 25.4-175.5 -70.1 139.8 58.9 37.3 74.9 55 87 A L + 0 0 11 -13,-3.0 3,-0.2 -2,-0.1 -12,-0.1 0.642 68.4 49.0-112.3 -20.3 59.9 40.1 77.3 56 88 A L > + 0 0 1 -14,-0.6 3,-1.8 1,-0.1 618,-0.1 0.149 63.8 118.3-116.9 18.1 62.1 42.6 75.5 57 89 A D T 3 + 0 0 20 1,-0.3 616,-3.4 616,-0.1 617,-1.6 0.593 61.8 77.4 -66.9 -12.1 60.3 43.3 72.2 58 90 A H T 3 + 0 0 63 614,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.731 68.4 106.7 -66.6 -22.2 59.9 47.0 73.1 59 91 A F < - 0 0 3 -3,-1.8 616,-1.5 612,-0.1 615,-0.2 -0.436 62.9-149.8 -65.5 123.7 63.5 47.6 72.1 60 92 A Q > - 0 0 24 -2,-0.2 3,-2.1 614,-0.2 616,-0.1 -0.195 34.7 -83.4 -86.6-178.6 63.7 49.4 68.8 61 93 A X G > S+ 0 0 44 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.763 127.0 59.9 -63.7 -27.3 66.4 49.2 66.1 62 94 A D G 3 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.562 111.3 42.9 -75.7 -7.5 68.6 51.7 67.8 63 95 A E G X + 0 0 44 -3,-2.1 3,-1.7 1,-0.1 -1,-0.2 -0.041 69.5 126.8-128.6 30.7 68.7 49.4 70.9 64 96 A Y G X + 0 0 19 -3,-1.0 3,-2.3 1,-0.3 4,-0.3 0.839 64.6 72.4 -52.1 -36.0 69.1 46.0 69.1 65 97 A S G > S+ 0 0 1 1,-0.3 3,-1.5 2,-0.2 22,-0.5 0.769 84.3 67.8 -53.2 -28.7 72.1 45.4 71.4 66 98 A Y G < S+ 0 0 4 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.468 81.8 72.8 -79.4 -0.2 69.8 44.9 74.3 67 99 A Y G < S+ 0 0 1 -3,-2.3 -26,-3.3 -4,-0.1 2,-0.9 0.604 77.7 90.9 -78.7 -15.8 68.4 41.6 72.8 68 100 A G < - 0 0 0 -3,-1.5 19,-2.7 -4,-0.3 2,-0.9 -0.743 69.5-162.3 -80.0 107.5 71.8 40.2 73.8 69 101 A V E +M 86 0E 0 -32,-2.1 17,-0.2 -2,-0.9 3,-0.1 -0.794 17.6 176.9-103.3 98.5 71.1 38.8 77.2 70 102 A E E S- 0 0 2 15,-1.7 61,-0.3 -2,-0.9 2,-0.3 0.862 70.9 -8.2 -63.7 -41.0 74.3 38.2 79.2 71 103 A S E -M 85 0E 0 14,-1.1 14,-1.9 59,-0.1 2,-0.4 -0.992 55.3-156.1-157.5 150.0 72.5 37.2 82.3 72 104 A I E -M 84 0E 0 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.999 11.5-170.6-129.7 137.0 69.0 37.0 83.9 73 105 A A E -M 83 0E 6 10,-2.5 10,-2.7 -2,-0.4 2,-0.5 -0.994 7.5-157.3-130.0 134.5 68.3 36.9 87.6 74 106 A T E -M 82 0E 14 -2,-0.4 -47,-0.3 8,-0.2 8,-0.2 -0.929 27.2-116.1-114.8 126.2 64.9 36.3 89.3 75 107 A D - 0 0 0 6,-2.2 6,-0.2 -2,-0.5 -47,-0.1 -0.394 20.6-168.0 -68.1 118.9 64.3 37.5 92.8 76 108 A P S S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 59,-0.0 0.733 90.3 48.0 -76.3 -23.4 63.8 34.7 95.4 77 109 A V S S+ 0 0 77 1,-0.3 -2,-0.1 58,-0.2 3,-0.0 0.916 130.8 17.7 -80.6 -48.0 62.5 37.1 98.1 78 110 A D > - 0 0 55 1,-0.1 3,-2.7 3,-0.1 -3,-0.3 -0.838 69.9-166.4-126.8 88.3 60.1 38.9 95.8 79 111 A P T 3 S+ 0 0 19 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.596 82.6 75.1 -54.2 -11.5 59.4 36.8 92.6 80 112 A N T 3 S+ 0 0 71 25,-0.1 26,-2.3 -6,-0.1 2,-0.3 0.768 84.2 81.0 -67.3 -25.8 57.8 39.8 91.0 81 113 A R < + 0 0 52 -3,-2.7 -6,-2.2 24,-0.2 2,-0.3 -0.640 53.5 167.3 -90.3 140.2 61.3 41.3 90.4 82 114 A V E -MN 74 103E 0 21,-2.1 21,-2.2 -2,-0.3 2,-0.4 -0.986 13.6-160.3-149.9 139.0 63.6 40.2 87.5 83 115 A Y E -MN 73 102E 0 -10,-2.7 -10,-2.5 -2,-0.3 2,-0.4 -0.938 1.5-163.5-125.1 144.0 66.8 41.8 86.2 84 116 A I E -MN 72 101E 0 17,-2.4 17,-4.3 -2,-0.4 2,-0.7 -0.993 14.8-148.2-125.0 132.9 68.7 41.5 82.9 85 117 A V E -MN 71 100E 0 -14,-1.9 -15,-1.7 -2,-0.4 -14,-1.1 -0.902 34.6-167.7 -90.1 116.7 72.2 42.4 82.1 86 118 A A E +MN 69 99E 0 13,-3.5 13,-2.6 -2,-0.7 -17,-0.2 -0.859 32.3 104.4-123.5 138.7 71.9 43.5 78.4 87 119 A G - 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