==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JAN-03 1NOF . COMPND 2 MOLECULE: XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR S.B.LARSON,J.DAY,A.MCPHERSON,A.P.BARBA DE LA ROSA,N.T.KEEN . 383 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 1 0 0 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 3 3 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 . 4 0 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 1 1 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 31 A D 0 0 116 0, 0.0 331,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-179.3 17.3 28.6 47.2 2 32 A T E -a 332 0A 71 329,-0.2 2,-0.4 299,-0.2 331,-0.2 -0.498 360.0-168.5 -79.0 139.3 18.0 25.1 48.4 3 33 A V E -a 333 0A 0 329,-2.8 331,-3.0 -2,-0.2 2,-0.5 -0.997 9.9-156.9-121.0 116.5 18.7 22.1 46.3 4 34 A K E -a 334 0A 134 -2,-0.4 294,-1.5 329,-0.2 2,-0.4 -0.863 12.7-173.8 -93.3 124.2 18.7 18.7 48.1 5 35 A I E -aB 335 297A 3 329,-2.7 331,-3.6 -2,-0.5 2,-0.5 -0.976 11.8-173.5-125.2 132.7 20.7 15.9 46.4 6 36 A D E > -aB 336 296A 37 290,-1.8 3,-1.5 -2,-0.4 290,-1.0 -0.919 9.0-167.1-129.0 107.8 20.8 12.3 47.4 7 37 A A E 3 S+ 0 0 7 329,-2.5 330,-0.1 -2,-0.5 -1,-0.1 0.549 84.8 66.5 -70.8 -8.3 23.3 10.2 45.5 8 38 A N E 3 S+ 0 0 117 328,-0.2 2,-0.6 288,-0.1 -1,-0.3 0.388 85.5 78.5 -93.2 3.0 21.7 7.0 46.8 9 39 A V E < - 0 0 48 -3,-1.5 287,-1.6 287,-0.1 2,-0.3 -0.954 69.2-169.4-110.8 119.0 18.4 7.5 45.0 10 40 A N E + B 0 295A 73 -2,-0.6 285,-0.2 285,-0.2 3,-0.1 -0.817 17.5 175.3-114.6 147.9 18.7 6.5 41.3 11 41 A Y E - 0 0 101 283,-2.8 -1,-0.1 1,-0.4 2,-0.1 0.199 55.8 -12.1-115.6-127.4 16.5 7.0 38.2 12 42 A Q E - 0 0 18 237,-0.2 282,-2.2 241,-0.1 -1,-0.4 -0.353 60.4-118.1 -81.7 157.9 17.4 6.0 34.7 13 43 A I E - B 0 293A 60 280,-0.2 2,-0.6 239,-0.1 280,-0.2 -0.721 30.5-126.8 -79.7 140.8 20.7 5.0 33.2 14 44 A I + 0 0 0 278,-3.1 277,-3.1 -2,-0.4 278,-0.4 -0.807 25.8 179.9 -91.7 118.8 22.0 7.4 30.5 15 45 A Q - 0 0 27 239,-2.7 2,-0.3 -2,-0.6 240,-0.2 0.846 52.0-106.9 -83.2 -33.2 22.9 5.8 27.2 16 46 A G E -j 255 0B 1 238,-1.4 240,-1.3 273,-0.1 2,-0.3 -0.889 27.7 -65.1 142.6-169.4 23.9 9.1 25.6 17 47 A F E +j 256 0B 2 29,-0.3 31,-3.1 -2,-0.3 32,-1.1 -0.912 48.3 165.5-124.1 141.4 23.2 11.9 23.2 18 48 A G E -jk 257 49B 0 238,-2.5 240,-2.5 -2,-0.3 2,-0.3 -0.768 20.9-149.7-144.6-172.4 23.0 11.7 19.5 19 49 A G E - k 0 50B 0 30,-1.2 32,-2.3 238,-0.3 2,-0.4 -0.955 32.5 -86.4-158.6 172.3 22.1 13.2 16.1 20 50 A M E -jk 260 51B 4 239,-2.2 241,-1.8 -2,-0.3 2,-0.6 -0.725 20.6-144.7 -92.5 131.7 21.0 12.2 12.6 21 51 A S - 0 0 1 30,-2.9 32,-0.4 -2,-0.4 7,-0.1 -0.857 20.2-172.7 -87.5 113.9 23.4 11.3 9.8 22 52 A G >> + 0 0 10 -2,-0.6 3,-2.6 5,-0.2 4,-2.0 0.386 26.5 142.4-100.5 1.1 21.5 12.7 6.7 23 53 A V B 34 +r 26 0C 17 1,-0.3 30,-0.2 2,-0.2 4,-0.2 -0.115 69.9 36.6 -45.2 133.2 23.6 11.5 3.8 24 54 A G T 34 S+ 0 0 44 2,-0.9 -1,-0.3 39,-0.1 3,-0.1 -0.076 126.5 40.5 105.8 -33.2 21.2 10.6 0.9 25 55 A W T <4 S+ 0 0 92 -3,-2.6 2,-0.2 1,-0.3 -2,-0.2 0.672 130.8 10.7-110.4 -34.9 18.8 13.5 1.8 26 56 A I B < S-r 23 0C 26 -4,-2.0 -2,-0.9 1,-0.1 -1,-0.3 -0.774 102.8 -66.5-134.6 174.5 21.4 16.1 2.6 27 57 A N - 0 0 129 -2,-0.2 -5,-0.2 -4,-0.2 -4,-0.1 -0.367 60.0-104.1 -65.6 147.0 25.2 16.3 2.1 28 58 A D - 0 0 50 -6,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.154 33.3-103.4 -62.3 157.0 27.3 13.9 4.1 29 59 A L - 0 0 19 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.549 34.5-125.4 -69.3 150.8 29.3 14.9 7.2 30 60 A T > - 0 0 67 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.546 24.1-108.3 -91.6 166.9 33.0 15.2 6.8 31 61 A T H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 121.1 52.6 -61.5 -41.7 35.5 13.4 8.9 32 62 A E H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 108.4 51.0 -59.1 -41.9 36.4 16.6 10.7 33 63 A Q H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.909 110.0 49.0 -65.6 -40.2 32.7 17.3 11.5 34 64 A I H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.914 109.7 51.6 -65.7 -42.7 32.2 13.8 12.9 35 65 A N H X S+ 0 0 58 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.888 110.8 49.1 -61.9 -37.8 35.3 14.2 15.1 36 66 A T H < S+ 0 0 31 -4,-2.1 9,-2.3 -5,-0.2 10,-0.3 0.920 117.9 39.8 -65.9 -42.6 34.0 17.5 16.4 37 67 A A H < S+ 0 0 1 -4,-2.2 10,-2.4 7,-0.2 9,-0.5 0.854 123.1 37.1 -74.7 -35.3 30.6 16.0 17.1 38 68 A Y H < S+ 0 0 6 -4,-2.8 -3,-0.2 8,-0.2 -2,-0.2 0.509 96.6 89.7-105.7 -10.6 31.6 12.6 18.5 39 69 A G < - 0 0 18 -4,-1.7 7,-1.7 -5,-0.3 8,-0.2 -0.389 63.9-150.8 -74.5 167.8 34.7 13.6 20.5 40 70 A S + 0 0 58 5,-0.2 3,-0.1 6,-0.1 -1,-0.1 0.192 58.3 99.2-130.2 17.3 34.3 14.6 24.1 41 71 A G S > S- 0 0 28 1,-0.2 3,-2.1 -5,-0.1 -2,-0.0 -0.178 87.5 -46.6 -92.3-174.3 37.1 17.1 24.6 42 72 A V T 3 S+ 0 0 129 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.289 129.6 16.2 -55.7 131.0 37.3 20.8 24.6 43 73 A G T 3 S+ 0 0 37 1,-0.3 2,-0.3 311,-0.1 -1,-0.3 0.464 107.5 104.1 87.4 -1.6 35.5 22.3 21.6 44 74 A Q < - 0 0 59 -3,-2.1 -1,-0.3 1,-0.1 -7,-0.2 -0.757 68.5-133.3-116.7 160.4 33.6 19.0 20.9 45 75 A I - 0 0 0 -9,-2.3 241,-0.3 -2,-0.3 -8,-0.2 0.874 28.2-133.0 -87.3 -33.8 30.0 18.0 21.5 46 76 A G + 0 0 1 -7,-1.7 -29,-0.3 -9,-0.5 -8,-0.2 0.612 40.1 164.7 90.4 17.2 30.2 14.6 23.1 47 77 A L + 0 0 2 -10,-2.4 -29,-0.2 -8,-0.2 -1,-0.2 -0.308 15.2 175.8 -62.0 151.6 27.6 12.7 21.1 48 78 A S + 0 0 10 -31,-3.1 29,-2.5 1,-0.1 2,-0.4 0.246 57.9 68.3-141.7 13.8 27.7 8.9 21.3 49 79 A I E -kl 18 77B 0 -32,-1.1 -30,-1.2 27,-0.2 2,-0.4 -0.997 55.6-169.8-133.4 132.8 24.7 7.9 19.3 50 80 A M E -kl 19 78B 0 27,-2.5 29,-2.4 -2,-0.4 2,-0.4 -0.998 9.5-153.5-120.6 131.1 24.3 8.2 15.5 51 81 A R E -kl 20 79B 0 -32,-2.3 -30,-2.9 -2,-0.4 2,-0.3 -0.857 14.1-172.5-100.4 140.0 21.0 7.6 13.8 52 82 A V E - l 0 80B 0 27,-2.1 29,-2.6 -2,-0.4 2,-0.4 -0.920 21.0-121.5-130.7 150.4 20.9 6.4 10.1 53 83 A R E - l 0 81B 11 -32,-0.4 2,-0.8 -2,-0.3 11,-0.0 -0.759 15.8-136.9 -92.8 141.5 18.1 6.0 7.6 54 84 A I - 0 0 0 27,-2.0 29,-0.5 -2,-0.4 30,-0.4 -0.861 20.9-145.7 -93.9 101.8 17.4 2.6 6.0 55 85 A D - 0 0 23 -2,-0.8 5,-0.1 1,-0.2 6,-0.1 -0.422 11.9-134.4 -65.1 135.8 16.7 3.4 2.3 56 86 A P S S+ 0 0 10 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.775 96.5 73.8 -62.5 -19.1 14.1 0.9 0.9 57 87 A D S > S- 0 0 67 1,-0.1 3,-1.7 29,-0.0 4,-0.2 -0.838 71.1-163.6 -94.6 109.6 16.5 0.7 -2.2 58 88 A S G > S+ 0 0 72 -2,-0.8 3,-1.0 1,-0.3 4,-0.3 0.632 80.9 76.2 -76.3 -8.0 19.5 -1.4 -1.0 59 89 A S G 3 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.639 96.7 51.9 -68.5 -11.8 21.7 -0.3 -3.9 60 90 A K G X S+ 0 0 96 -3,-1.7 3,-1.2 1,-0.1 4,-0.3 0.404 79.6 94.1-102.5 -3.8 22.0 3.0 -1.9 61 91 A W G X S+ 0 0 16 -3,-1.0 3,-1.9 1,-0.3 4,-0.4 0.869 70.8 72.1 -63.0 -29.7 23.1 1.6 1.4 62 92 A N G > S+ 0 0 83 -4,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.814 83.7 67.0 -58.0 -30.4 26.8 2.0 0.7 63 93 A I G < S+ 0 0 60 -3,-1.2 4,-0.4 1,-0.3 -1,-0.3 0.677 93.7 62.3 -66.7 -15.3 26.6 5.8 1.0 64 94 A Q G <> S+ 0 0 4 -3,-1.9 4,-1.7 -4,-0.3 -1,-0.3 0.652 85.6 79.0 -79.1 -16.3 25.9 5.4 4.8 65 95 A L H <> S+ 0 0 19 -3,-1.6 4,-2.9 -4,-0.4 5,-0.3 0.860 80.3 56.6 -72.6 -43.7 29.2 3.6 5.6 66 96 A P H > S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.934 115.8 37.6 -55.4 -44.6 31.9 6.4 5.8 67 97 A S H > S+ 0 0 2 -4,-0.4 4,-2.3 2,-0.2 5,-0.2 0.874 117.7 50.0 -75.3 -38.3 30.0 8.3 8.5 68 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.924 111.5 49.1 -65.4 -43.5 28.7 5.3 10.3 69 99 A R H X S+ 0 0 117 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.911 110.8 50.1 -59.4 -44.3 32.2 3.7 10.4 70 100 A Q H X S+ 0 0 50 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.928 110.5 50.0 -64.5 -41.5 33.8 6.9 11.7 71 101 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-0.2 0.918 111.1 47.9 -61.8 -43.2 31.2 7.2 14.5 72 102 A V H ><5S+ 0 0 42 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.912 107.2 57.1 -64.8 -38.1 31.7 3.6 15.5 73 103 A S H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.849 105.7 51.7 -60.2 -33.9 35.5 4.2 15.5 74 104 A L T 3<5S- 0 0 70 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.279 129.2 -96.2 -88.1 11.8 34.9 7.1 18.0 75 105 A G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.474 74.9 145.4 93.6 4.5 32.9 4.8 20.3 76 106 A A < - 0 0 11 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.345 45.1-129.6 -79.5 156.2 29.3 5.6 19.1 77 107 A K E -l 49 0B 70 -29,-2.5 -27,-2.5 -2,-0.1 2,-0.5 -0.855 21.7-139.8 -95.8 139.6 26.4 3.4 19.0 78 108 A I E -l 50 0B 1 48,-0.5 50,-3.0 -2,-0.4 51,-1.5 -0.887 16.5-173.5-103.3 130.6 24.4 3.3 15.7 79 109 A M E -lm 51 129B 0 -29,-2.4 -27,-2.1 -2,-0.5 2,-0.4 -0.944 11.6-151.0-115.7 146.6 20.6 3.1 15.6 80 110 A A E -lm 52 130B 0 49,-1.6 51,-2.8 -2,-0.4 -27,-0.2 -0.966 9.7-170.8-122.4 135.1 18.8 2.6 12.3 81 111 A T E -l 53 0B 0 -29,-2.6 -27,-2.0 -2,-0.4 2,-0.4 -0.985 11.7-149.8-123.7 128.4 15.3 3.8 11.3 82 112 A P - 0 0 0 0, 0.0 52,-1.8 0, 0.0 -27,-0.1 -0.822 4.7-167.9 -88.1 133.8 13.3 2.9 8.2 83 113 A W S S- 0 0 3 -29,-0.5 -28,-0.1 -2,-0.4 59,-0.1 0.753 75.0 -0.6 -85.0 -33.5 10.9 5.6 6.9 84 114 A S - 0 0 0 -30,-0.4 -1,-0.3 59,-0.1 61,-0.1 -0.977 65.5-123.1-151.8 144.8 9.2 3.2 4.5 85 115 A P - 0 0 0 0, 0.0 59,-0.1 0, 0.0 5,-0.1 -0.373 64.1 -68.8 -63.7 164.5 9.3 -0.4 3.3 86 116 A P > - 0 0 3 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.294 50.7-114.1 -53.8 146.8 9.8 -0.8 -0.5 87 117 A A G > S+ 0 0 21 1,-0.3 3,-1.8 2,-0.2 7,-0.5 0.795 112.8 62.8 -54.0 -39.7 6.7 0.4 -2.3 88 118 A Y G 3 S+ 0 0 170 1,-0.3 -1,-0.3 5,-0.2 7,-0.0 0.473 98.3 57.2 -74.8 -3.2 5.9 -3.1 -3.6 89 119 A M G < S+ 0 0 20 -3,-2.0 13,-2.1 5,-0.0 -1,-0.3 0.477 97.2 83.1 -96.6 -4.6 5.4 -4.3 -0.0 90 120 A K B X S-S 101 0D 8 -3,-1.8 3,-1.4 -4,-0.3 11,-0.2 -0.661 84.0-118.9-109.0 161.1 2.7 -1.8 0.8 91 121 A S T 3 S+ 0 0 68 9,-2.6 8,-0.1 1,-0.3 10,-0.1 0.715 114.6 42.6 -65.7 -24.7 -1.0 -1.5 0.2 92 122 A N T 3 S- 0 0 61 2,-0.2 -1,-0.3 8,-0.2 4,-0.1 0.235 99.5-131.1-102.2 2.0 -0.6 1.7 -2.0 93 123 A N S < S+ 0 0 115 -3,-1.4 2,-0.3 -6,-0.4 -5,-0.2 0.848 74.2 102.8 44.2 47.3 2.4 0.6 -4.0 94 124 A S S S- 0 0 38 -7,-0.5 -2,-0.2 4,-0.1 -1,-0.2 -0.990 72.8-136.1-150.1 150.8 4.1 3.9 -3.2 95 125 A L S S+ 0 0 54 -2,-0.3 49,-2.3 -3,-0.1 3,-0.2 0.646 84.1 61.3 -78.0 -18.3 6.8 5.1 -0.9 96 126 A I B S+T 143 0E 63 47,-0.2 45,-0.2 1,-0.2 47,-0.2 -0.641 84.0 33.0-118.1 167.1 4.9 8.2 0.1 97 127 A N S S- 0 0 91 43,-2.6 2,-0.2 45,-0.7 -1,-0.2 0.889 110.5 -80.7 58.0 45.4 1.7 9.4 1.8 98 128 A G + 0 0 0 42,-0.5 46,-0.3 44,-0.4 -4,-0.1 -0.461 57.3 177.3 74.0-134.3 1.6 6.5 4.1 99 129 A G - 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