==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-NOV-02 1O8P . COMPND 2 MOLECULE: PUTATUVE ENDO-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM STERCORARIUM; . AUTHOR A.B.BORASTON,V.NOTENBOOM,R.A.J.WARREN,D.G.KILBRUN,D.R.ROSE, . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 41.2 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.1 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+4), 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 . 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 . 0 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 1 1 1 1 2 2 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 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 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 18 A P 0 0 108 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 157.9 61.3 44.8 -12.8 2 19 A V > - 0 0 92 1,-0.1 3,-1.2 4,-0.1 50,-0.1 -0.135 360.0 -78.0 -54.7 145.0 61.6 41.5 -14.7 3 20 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.289 119.5 22.0 -44.8 126.8 59.5 41.0 -17.9 4 21 A G T 3 S+ 0 0 72 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.640 111.1 102.3 88.4 15.4 55.9 40.3 -17.3 5 22 A T < - 0 0 26 -3,-1.2 2,-0.4 -4,-0.1 -1,-0.3 -0.870 63.3-136.2-136.6 157.6 56.1 41.8 -13.8 6 23 A R E -a 51 0A 68 44,-2.2 46,-3.6 -2,-0.3 -4,-0.1 -0.936 37.2-108.7-111.6 139.5 55.3 44.8 -11.7 7 24 A S E -a 52 0A 27 -2,-0.4 3,-0.4 44,-0.2 46,-0.2 -0.390 9.9-148.2 -67.7 143.7 57.8 46.2 -9.2 8 25 A A S S+ 0 0 0 44,-2.3 121,-2.8 1,-0.2 4,-0.2 0.689 98.1 60.0 -73.5 -25.1 57.2 45.8 -5.5 9 26 A F S S+ 0 0 83 43,-0.4 2,-0.3 119,-0.2 -1,-0.2 0.360 94.3 65.4 -96.3 -1.1 59.0 49.1 -5.0 10 27 A S S S- 0 0 74 -3,-0.4 119,-0.2 117,-0.1 117,-0.1 -0.940 106.2 -77.8-110.7 147.6 56.7 51.4 -7.0 11 28 A N - 0 0 75 -2,-0.3 2,-0.7 117,-0.1 117,-0.2 -0.055 38.7-146.6 -44.3 124.3 53.1 52.0 -5.9 12 29 A I E -F 127 0B 5 115,-3.9 115,-2.1 -4,-0.2 2,-0.3 -0.911 19.7-130.3 -93.1 118.0 50.8 49.1 -6.7 13 30 A Q E > -F 126 0B 58 -2,-0.7 3,-2.1 113,-0.2 113,-0.3 -0.534 10.2-143.0 -72.1 125.6 47.4 50.7 -7.4 14 31 A A T 3 S+ 0 0 0 111,-2.0 3,-0.3 -2,-0.3 -1,-0.2 0.779 99.4 62.0 -66.7 -27.3 45.0 48.7 -5.3 15 32 A E T 3 S+ 0 0 35 110,-0.6 2,-0.7 20,-0.2 -1,-0.3 0.601 86.3 80.2 -68.9 -10.1 42.3 48.9 -8.1 16 33 A D < + 0 0 83 -3,-2.1 -1,-0.2 2,-0.0 2,-0.2 -0.268 64.4 146.1 -94.2 49.6 44.8 47.0 -10.3 17 34 A Y - 0 0 62 -2,-0.7 31,-0.2 -3,-0.3 3,-0.1 -0.576 43.9-153.4 -83.7 149.3 43.9 43.6 -8.9 18 35 A D S S+ 0 0 92 29,-2.7 2,-0.3 1,-0.3 30,-0.2 0.675 81.5 7.6 -91.6 -19.6 44.0 40.5 -11.1 19 36 A S E -B 47 0A 63 28,-1.2 28,-2.5 2,-0.0 2,-0.3 -0.971 68.5-175.0-159.2 153.3 41.4 38.6 -8.9 20 37 A S E -B 46 0A 53 -2,-0.3 2,-0.5 26,-0.2 26,-0.2 -0.995 19.0-145.3-155.8 153.5 39.2 39.4 -5.9 21 38 A Y E +B 45 0A 138 24,-2.4 24,-1.7 -2,-0.3 -2,-0.0 -0.993 60.4 82.4-116.6 125.0 36.8 37.9 -3.4 22 39 A G > - 0 0 13 -2,-0.5 3,-1.8 22,-0.2 21,-0.0 0.094 59.7-139.8 145.1 106.0 33.9 40.0 -2.2 23 40 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.747 102.4 42.5 -50.4 -37.4 30.5 40.6 -4.0 24 41 A N T 3 S+ 0 0 84 15,-0.2 14,-0.1 2,-0.0 16,-0.1 0.490 78.8 132.0 -88.8 -10.8 30.3 44.3 -3.1 25 42 A L < + 0 0 19 -3,-1.8 2,-0.3 12,-0.1 14,-0.2 -0.148 32.5 172.3 -55.3 137.4 33.9 45.3 -3.8 26 43 A Q E -G 38 0B 86 12,-2.3 12,-2.3 2,-0.0 2,-0.5 -0.963 34.3-122.3-143.1 161.0 34.1 48.5 -6.0 27 44 A I E -G 37 0B 79 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.917 29.9-165.5-106.8 129.7 36.5 51.1 -7.4 28 45 A F E -G 36 0B 52 8,-2.8 8,-2.1 -2,-0.5 2,-0.2 -0.906 19.4-121.7-114.9 142.2 35.7 54.7 -6.5 29 46 A S E -G 35 0B 102 -2,-0.4 6,-0.3 6,-0.2 3,-0.0 -0.516 25.9-131.9 -79.3 146.3 37.1 57.8 -8.0 30 47 A L > - 0 0 20 4,-2.2 3,-2.0 -2,-0.2 66,-0.0 -0.830 18.0-118.9-100.0 141.4 39.0 60.2 -5.7 31 48 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.837 111.9 42.9 -46.5 -45.0 38.2 63.9 -5.8 32 49 A G T 3 S- 0 0 87 1,-0.3 2,-0.1 -3,-0.0 -3,-0.0 0.271 130.6 -72.2 -88.1 16.3 41.7 65.0 -6.8 33 50 A G S < S+ 0 0 53 -3,-2.0 -1,-0.3 1,-0.2 2,-0.1 -0.047 91.6 63.5 102.6 146.9 42.3 62.3 -9.4 34 51 A G - 0 0 47 -3,-0.1 -4,-2.2 -2,-0.1 2,-0.3 -0.465 65.8-102.9 100.4-177.7 42.9 58.6 -9.0 35 52 A S E -G 29 0B 34 -6,-0.3 2,-0.3 -2,-0.1 -20,-0.2 -0.973 20.0-164.4-147.2 160.8 40.9 55.6 -7.6 36 53 A A E -G 28 0B 0 -8,-2.1 -8,-2.8 -2,-0.3 2,-0.3 -0.981 26.8-113.5-143.9 149.8 40.7 53.4 -4.6 37 54 A I E +GH 27 124B 0 87,-2.6 87,-1.8 -2,-0.3 2,-0.2 -0.683 48.6 149.8 -78.6 149.5 39.0 50.1 -3.8 38 55 A G E +G 26 0B 0 -12,-2.3 -12,-2.3 -2,-0.3 3,-0.1 -0.828 35.1 81.3-159.2-166.0 36.1 50.3 -1.3 39 56 A Y S S+ 0 0 141 -2,-0.2 2,-0.2 1,-0.2 -15,-0.2 0.833 71.4 162.2 51.9 38.9 32.7 48.6 -0.2 40 57 A I - 0 0 2 82,-0.4 2,-0.3 -3,-0.1 -1,-0.2 -0.613 18.9-175.3 -87.9 143.7 35.1 46.2 1.5 41 58 A E > - 0 0 89 -2,-0.2 3,-2.2 80,-0.1 79,-0.4 -0.882 40.3 -66.4-129.3 164.6 33.9 43.8 4.2 42 59 A N T 3 S+ 0 0 118 77,-0.4 77,-0.3 -2,-0.3 3,-0.1 -0.296 122.6 24.3 -44.8 128.5 35.5 41.2 6.6 43 60 A G T 3 S+ 0 0 38 75,-2.5 -1,-0.3 1,-0.3 76,-0.1 0.220 91.0 130.8 91.0 -12.0 36.8 38.2 4.6 44 61 A Y < - 0 0 11 -3,-2.2 74,-2.7 74,-0.3 -1,-0.3 -0.286 32.8-179.4 -67.0 160.3 37.2 40.2 1.3 45 62 A S E -BC 21 117A 7 -24,-1.7 -24,-2.4 72,-0.2 2,-0.4 -0.989 21.0-153.1-161.3 150.5 40.5 40.0 -0.5 46 63 A T E -BC 20 116A 0 70,-1.9 70,-2.8 -2,-0.3 2,-0.4 -0.988 13.9-149.3-131.4 144.2 42.4 41.2 -3.6 47 64 A T E -BC 19 115A 18 -28,-2.5 -29,-2.7 -2,-0.4 -28,-1.2 -0.956 7.9-169.2-120.6 136.1 45.1 39.4 -5.4 48 65 A Y E - C 0 114A 0 66,-3.4 66,-3.2 -2,-0.4 3,-0.4 -0.956 17.7-155.2-128.2 104.7 48.0 41.0 -7.3 49 66 A K E + 0 0 87 -2,-0.5 64,-0.2 64,-0.3 -43,-0.2 -0.361 63.1 19.9 -82.4 154.2 49.9 38.6 -9.4 50 67 A N E + 0 0 70 1,-0.2 -44,-2.2 -45,-0.1 2,-0.5 0.871 67.6 171.3 61.3 45.5 53.5 38.8 -10.6 51 68 A I E -aC 6 112A 0 61,-3.1 61,-2.6 -3,-0.4 2,-0.8 -0.785 27.3-140.7 -85.3 128.9 55.0 41.3 -8.1 52 69 A D E +aC 7 111A 20 -46,-3.6 -44,-2.3 -2,-0.5 -43,-0.4 -0.800 24.6 174.9 -94.5 106.4 58.8 41.5 -8.5 53 70 A F > - 0 0 0 57,-2.4 3,-2.4 -2,-0.8 -1,-0.1 0.377 23.8-162.0 -90.3 -3.4 60.4 41.8 -4.9 54 71 A G T 3 - 0 0 34 1,-0.3 56,-2.7 55,-0.2 -1,-0.3 -0.251 65.9 -14.4 58.2-132.8 63.9 41.6 -6.3 55 72 A D T 3 S- 0 0 153 1,-0.3 -1,-0.3 54,-0.2 54,-0.1 0.279 127.1 -43.6 -91.4 15.5 66.5 40.7 -3.7 56 73 A G < - 0 0 0 -3,-2.4 2,-0.3 52,-0.1 -1,-0.3 -0.228 39.3-152.6 138.3 137.5 64.1 41.4 -0.8 57 74 A A E +I 108 0B 0 51,-1.5 51,-1.7 49,-0.1 74,-0.3 -0.977 8.9 179.6-125.5 146.9 61.5 43.7 0.8 58 75 A T E + 0 0 42 72,-2.5 47,-1.9 -2,-0.3 2,-0.3 0.316 63.9 43.5-127.9 2.4 61.0 44.0 4.6 59 76 A S E -IJ 104 130B 29 71,-1.5 71,-2.1 45,-0.3 2,-0.3 -0.993 57.5-155.7-150.5 155.8 58.2 46.5 4.9 60 77 A V E -IJ 103 129B 0 43,-2.9 43,-2.4 -2,-0.3 2,-0.4 -0.970 4.8-166.5-132.1 145.5 54.9 47.5 3.3 61 78 A T E -IJ 102 128B 20 67,-2.7 67,-2.3 -2,-0.3 2,-0.4 -1.000 4.8-170.9-130.2 131.0 53.0 50.8 3.2 62 79 A A E -IJ 101 127B 2 39,-2.8 39,-3.0 -2,-0.4 2,-0.7 -0.953 21.7-137.8-121.4 144.6 49.3 51.3 2.2 63 80 A R E +IJ 100 126B 80 63,-2.8 62,-2.8 -2,-0.4 63,-0.7 -0.918 46.6 163.7 -98.5 113.4 47.5 54.6 1.5 64 81 A V E -IJ 99 124B 0 35,-2.9 35,-2.4 -2,-0.7 2,-0.4 -0.898 32.7-159.8-137.3 152.8 44.2 53.9 3.2 65 82 A A E + J 0 123B 0 58,-1.9 58,-3.1 -2,-0.3 2,-0.3 -0.997 24.9 149.1-132.1 140.4 41.0 55.6 4.6 66 83 A T - 0 0 1 28,-0.4 26,-2.4 31,-0.4 27,-0.8 -0.985 43.6-142.1-158.8 163.9 38.6 54.2 7.2 67 84 A Q S S+ 0 0 103 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 0.533 89.4 39.0-100.0 -13.0 36.2 55.1 10.0 68 85 A N S S- 0 0 115 53,-0.4 -1,-0.2 22,-0.1 24,-0.1 -0.997 94.5 -90.6-140.4 146.5 37.0 52.1 12.2 69 86 A A + 0 0 85 -2,-0.3 2,-0.3 -3,-0.1 21,-0.2 -0.217 58.6 151.2 -55.1 133.9 40.1 50.2 13.2 70 87 A T E -D 89 0A 11 19,-3.2 19,-3.1 50,-0.1 2,-0.3 -0.888 33.7-122.9-157.2 176.1 40.8 47.3 10.9 71 88 A T E -D 88 0A 32 -2,-0.3 48,-1.7 17,-0.2 2,-0.5 -0.960 3.4-153.7-133.1 152.3 43.6 45.2 9.5 72 89 A I E -DE 87 118A 2 15,-2.1 15,-2.9 -2,-0.3 2,-0.3 -0.990 17.7-149.5-122.8 118.0 44.9 44.2 6.1 73 90 A Q E -DE 86 117A 53 44,-3.1 44,-2.0 -2,-0.5 2,-0.5 -0.695 3.4-149.4 -83.7 143.0 46.8 40.9 5.9 74 91 A V E +DE 85 116A 0 11,-2.7 10,-3.2 -2,-0.3 11,-1.2 -0.970 29.9 168.9-114.9 113.2 49.5 40.6 3.3 75 92 A R E -DE 83 115A 47 40,-2.7 40,-2.7 -2,-0.5 2,-0.4 -0.829 33.0-112.5-128.1 160.1 49.8 37.0 2.1 76 93 A L E S- E 0 114A 38 6,-2.2 2,-2.6 -2,-0.3 38,-0.2 -0.785 83.2 -19.4 -91.8 133.2 51.5 34.9 -0.5 77 94 A G S S+ 0 0 46 36,-2.8 37,-0.1 -2,-0.4 -1,-0.1 -0.285 124.3 1.9 84.1 -58.2 49.5 33.1 -3.3 78 95 A S S > S- 0 0 50 -2,-2.6 3,-1.7 37,-0.1 37,-0.2 -0.909 86.1 -84.0-152.8 172.8 46.1 33.0 -1.8 79 96 A P T 3 S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 38,-0.0 0.673 131.3 44.9 -55.5 -19.3 44.0 34.1 1.2 80 97 A S T 3 S+ 0 0 111 -4,-0.1 3,-0.1 -5,-0.0 -3,-0.1 0.377 95.1 105.1-105.9 1.3 45.3 30.9 3.0 81 98 A G S < S- 0 0 19 -3,-1.7 -4,-0.1 1,-0.2 0, 0.0 -0.056 87.7 -47.0 -72.6 179.4 48.9 31.3 1.9 82 99 A T - 0 0 90 -7,-0.1 -6,-2.2 -6,-0.1 2,-0.6 -0.220 55.9-128.4 -51.4 129.3 51.9 32.4 4.0 83 100 A L E +D 75 0A 68 -8,-0.2 -8,-0.2 1,-0.2 3,-0.1 -0.754 26.7 179.8 -81.1 116.0 51.1 35.5 6.1 84 101 A L E - 0 0 10 -10,-3.2 22,-1.8 -2,-0.6 2,-0.3 0.754 60.6 -43.9 -87.4 -31.7 53.9 38.1 5.5 85 102 A G E -D 74 0A 11 -11,-1.2 -11,-2.7 20,-0.2 2,-0.4 -0.951 49.5-112.8 176.0 170.8 52.6 40.7 7.8 86 103 A T E -D 73 0A 25 18,-0.3 2,-0.6 -2,-0.3 -13,-0.2 -0.992 14.6-147.1-130.4 127.7 49.6 42.6 9.0 87 104 A I E -D 72 0A 2 -15,-2.9 -15,-2.1 -2,-0.4 2,-0.8 -0.822 14.7-150.6 -89.1 123.2 48.8 46.3 8.5 88 105 A Y E -D 71 0A 167 -2,-0.6 2,-0.7 14,-0.3 -17,-0.2 -0.834 14.5-162.7 -97.8 105.7 46.9 47.7 11.6 89 106 A V E -D 70 0A 2 -19,-3.1 -19,-3.2 -2,-0.8 2,-0.2 -0.835 2.0-161.6 -98.6 114.6 44.8 50.5 10.2 90 107 A G - 0 0 41 -2,-0.7 -24,-0.2 -21,-0.2 -22,-0.1 -0.537 41.4 -75.8 -81.0 160.0 43.4 52.9 12.8 91 108 A S - 0 0 68 -2,-0.2 -24,-0.2 -24,-0.2 -1,-0.1 -0.292 34.2-165.6 -55.9 133.9 40.5 55.2 11.9 92 109 A T - 0 0 26 -26,-2.4 -25,-0.2 2,-0.1 -1,-0.2 0.332 48.7-108.4 -97.6 -1.2 41.4 58.2 9.7 93 110 A G S S+ 0 0 58 -27,-0.8 2,-0.3 2,-0.0 -26,-0.2 0.167 90.3 28.9 94.7 -18.3 38.1 59.9 10.5 94 111 A S S > S- 0 0 39 -28,-0.7 3,-1.8 3,-0.3 -28,-0.4 -0.956 76.5-114.5-167.2 149.2 36.6 59.4 7.1 95 112 A F T 3 S+ 0 0 66 -2,-0.3 -30,-0.1 1,-0.3 -28,-0.1 0.480 119.3 48.9 -64.9 -0.4 36.5 57.1 4.0 96 113 A D T 3 S+ 0 0 86 -30,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.062 87.7 89.4-127.4 23.4 38.0 60.1 2.1 97 114 A T < - 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