==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-APR-11 3RDK . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS SP. JDR-2; . AUTHOR E.POZHARSKI,F.J.ST JOHN . 667 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.6 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 6 0 2 2 0 0 2 0 4 0 0 2 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 10 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 PARALLEL BRIDGES PER LADDER . 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 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 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 5 A A 0 0 72 0, 0.0 2,-0.3 0, 0.0 331,-0.0 0.000 360.0 360.0 360.0 143.8 56.9 52.2 10.2 2 6 A P >> - 0 0 36 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.551 360.0-136.0 -73.8 142.5 54.0 50.6 12.0 3 7 A L H 3> S+ 0 0 1 -2,-0.3 4,-1.9 1,-0.3 30,-0.1 0.898 104.4 55.2 -60.9 -42.9 52.0 53.3 13.8 4 8 A K H 34 S+ 0 0 58 29,-0.8 -1,-0.3 28,-0.3 7,-0.1 0.742 108.4 49.9 -67.6 -21.4 51.7 51.2 17.0 5 9 A D H X4 S+ 0 0 83 -3,-1.0 3,-1.3 2,-0.2 4,-0.3 0.908 107.6 52.5 -80.6 -42.4 55.6 51.0 17.1 6 10 A V H 3< S+ 0 0 52 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.884 122.1 31.3 -54.3 -41.2 56.1 54.7 16.6 7 11 A Y T >X S+ 0 0 0 -4,-1.9 3,-2.5 -5,-0.2 4,-2.0 0.134 80.7 124.1-110.1 19.6 53.8 55.5 19.5 8 12 A K T <4 S+ 0 0 148 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.797 80.8 39.3 -54.1 -33.5 54.4 52.4 21.6 9 13 A N T 34 S+ 0 0 144 -3,-0.3 -1,-0.3 -4,-0.3 3,-0.1 0.355 117.9 49.7 -97.5 12.8 55.4 54.4 24.7 10 14 A D T <4 S- 0 0 34 -3,-2.5 2,-0.3 1,-0.4 285,-0.3 0.786 116.3 -34.3-116.9 -49.8 52.8 57.1 24.3 11 15 A F < - 0 0 11 -4,-2.0 -1,-0.4 -7,-0.1 286,-0.3 -0.932 65.6 -84.1-169.6 156.7 49.3 55.6 23.8 12 16 A L E -a 297 0A 42 284,-2.6 286,-2.8 -2,-0.3 2,-0.5 -0.439 41.6-134.7 -62.8 148.6 47.6 52.7 22.1 13 17 A I E -a 298 0A 0 284,-0.2 22,-2.5 -2,-0.1 23,-1.6 -0.933 32.3-173.1-112.0 124.8 46.9 53.2 18.4 14 18 A G E -ab 299 36A 0 284,-2.7 286,-2.8 -2,-0.5 2,-0.2 -0.761 19.9-165.9-115.6 166.6 43.4 52.2 17.4 15 19 A N E - b 0 37A 3 21,-1.6 23,-2.1 -2,-0.3 2,-0.4 -0.805 23.6-120.8-140.1-177.6 41.1 51.7 14.5 16 20 A A E - b 0 38A 11 284,-0.3 2,-0.3 -2,-0.2 287,-0.2 -0.998 38.7-168.0-134.0 121.3 37.4 51.3 14.0 17 21 A I E - b 0 39A 4 21,-2.6 23,-2.9 -2,-0.4 24,-0.5 -0.731 26.2-167.0-124.7 158.5 36.2 48.1 12.3 18 22 A S > - 0 0 48 -2,-0.3 3,-2.0 21,-0.2 4,-0.2 -0.763 56.3 -85.1-119.2-174.8 33.5 46.1 10.7 19 23 A A G > S+ 0 0 40 1,-0.3 3,-1.4 -2,-0.2 -2,-0.0 0.806 124.0 68.3 -61.4 -24.2 33.5 42.4 9.7 20 24 A E G > S+ 0 0 33 1,-0.3 3,-0.8 2,-0.1 -1,-0.3 0.748 91.9 60.4 -63.2 -25.5 35.3 43.3 6.5 21 25 A D G < S+ 0 0 6 -3,-2.0 -1,-0.3 1,-0.2 9,-0.2 0.472 89.5 70.3 -87.9 0.9 38.5 44.3 8.4 22 26 A L G < S+ 0 0 21 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.2 0.115 95.1 54.7-105.8 17.5 39.0 40.9 9.9 23 27 A E S <> S- 0 0 97 -3,-0.8 4,-1.6 0, 0.0 3,-0.5 -0.962 95.0 -7.7-141.9 159.8 40.0 39.1 6.7 24 28 A G H > S- 0 0 54 -2,-0.3 4,-1.7 1,-0.2 3,-0.2 -0.070 115.6 -19.3 62.3-151.8 42.6 39.4 3.9 25 29 A T H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.832 133.1 62.0 -66.7 -29.0 44.9 42.3 3.4 26 30 A R H > S+ 0 0 42 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.941 103.6 48.8 -60.9 -41.2 42.7 44.6 5.5 27 31 A L H X S+ 0 0 9 -4,-1.6 4,-2.9 -3,-0.2 5,-0.3 0.927 111.5 50.5 -63.8 -40.7 43.3 42.3 8.6 28 32 A E H X S+ 0 0 113 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.919 112.3 45.0 -61.5 -43.0 47.0 42.4 7.9 29 33 A L H X S+ 0 0 19 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.883 113.5 51.9 -61.8 -42.6 47.1 46.2 7.6 30 34 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.938 113.5 42.5 -61.5 -54.5 44.9 46.4 10.8 31 35 A K H < S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.846 110.8 56.6 -63.1 -34.8 47.3 44.2 12.8 32 36 A M H < S+ 0 0 92 -4,-2.1 -28,-0.3 -5,-0.3 -1,-0.2 0.924 120.6 25.9 -66.5 -33.9 50.5 45.7 11.5 33 37 A H H < S+ 0 0 8 -4,-1.7 -29,-0.8 -5,-0.2 2,-0.4 0.680 111.3 61.3-106.6 -19.5 49.5 49.3 12.6 34 38 A H < - 0 0 7 -4,-1.9 -20,-0.2 -5,-0.2 3,-0.1 -0.913 41.9-168.4-126.9 148.7 47.1 49.1 15.6 35 39 A D S S+ 0 0 41 -22,-2.5 38,-2.3 -2,-0.4 2,-0.3 0.649 81.2 23.7 -95.4 -20.9 47.1 47.8 19.2 36 40 A V E -bc 14 73A 0 -23,-1.6 -21,-1.6 36,-0.3 2,-0.3 -0.968 62.2-156.0-148.6 156.9 43.3 48.2 19.7 37 41 A V E -bc 15 74A 0 36,-2.2 38,-2.9 -2,-0.3 2,-0.4 -0.943 7.1-150.6-136.1 157.2 40.0 48.4 17.9 38 42 A T E -bc 16 75A 1 -23,-2.1 -21,-2.6 -2,-0.3 2,-0.5 -0.958 32.2-114.2-116.4 139.5 36.6 49.8 18.4 39 43 A A E -b 17 0A 0 36,-0.7 4,-0.2 -2,-0.4 -21,-0.2 -0.671 20.8-149.7 -68.4 124.6 33.5 48.2 16.7 40 44 A G S S- 0 0 11 -23,-2.9 -1,-0.2 -2,-0.5 -22,-0.1 0.868 84.6 -20.0 -63.2 -35.7 32.2 50.8 14.2 41 45 A N S > S+ 0 0 88 -24,-0.5 3,-1.6 -3,-0.1 6,-0.2 0.527 112.2 92.2-140.6 -18.8 28.6 49.5 14.7 42 46 A A T 3 S+ 0 0 29 -25,-0.4 18,-0.2 1,-0.3 -2,-0.1 0.577 92.6 43.9 -75.7 -7.5 28.4 46.0 16.1 43 47 A M T 3 S+ 0 0 1 34,-0.4 -1,-0.3 -4,-0.2 5,-0.1 0.297 84.6 117.2-120.1 16.6 28.2 47.0 19.8 44 48 A K S X> S- 0 0 12 -3,-1.6 4,-1.3 1,-0.1 3,-0.9 -0.243 80.6-103.5 -76.9 164.1 25.7 49.8 19.6 45 49 A P H >> S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.903 121.6 54.7 -60.3 -37.0 22.3 49.6 21.3 46 50 A D H 34 S+ 0 0 64 38,-2.6 39,-0.1 1,-0.2 38,-0.1 0.759 112.0 46.1 -62.4 -27.8 20.4 48.8 18.1 47 51 A A H <4 S+ 0 0 34 -3,-0.9 -1,-0.2 37,-0.3 13,-0.2 0.683 119.2 37.6 -87.0 -21.3 22.9 45.9 17.5 48 52 A L H << S+ 0 0 1 -4,-1.3 8,-2.2 -3,-0.5 -2,-0.2 0.720 130.9 15.9-112.2 -22.7 22.8 44.4 20.9 49 53 A Q < + 0 0 5 -4,-2.8 6,-0.2 6,-0.2 -1,-0.2 -0.497 63.5 165.1-148.0 69.0 19.1 44.7 22.2 50 54 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.837 74.1 17.6 -66.4 -27.6 16.9 45.5 19.2 51 55 A T B > S-I 54 0B 23 3,-0.7 3,-2.5 590,-0.1 2,-0.1 -0.901 109.4 -69.4-137.7 160.8 13.7 44.6 21.1 52 56 A K T 3 S- 0 0 77 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.247 117.2 -2.2 -60.8 126.1 13.1 44.4 24.8 53 57 A G T 3 S+ 0 0 41 1,-0.2 2,-0.8 -2,-0.1 -1,-0.3 0.554 100.0 116.2 78.6 2.2 14.8 41.4 26.3 54 58 A N B < -I 51 0B 25 -3,-2.5 -3,-0.7 2,-0.0 2,-0.5 -0.859 45.5-174.7-106.5 84.7 16.1 40.2 23.0 55 59 A F - 0 0 48 -2,-0.8 2,-0.6 -6,-0.2 -6,-0.2 -0.792 6.4-165.0 -87.4 131.9 19.9 40.5 23.5 56 60 A T + 0 0 22 -8,-2.2 4,-0.2 -2,-0.5 -2,-0.0 -0.895 28.3 146.6-123.8 94.1 21.8 39.7 20.3 57 61 A F > + 0 0 21 -2,-0.6 4,-2.8 2,-0.1 5,-0.3 0.408 40.5 99.1-107.0 -2.7 25.5 39.0 21.0 58 62 A T H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 89.2 37.4 -62.8 -51.1 26.4 36.4 18.4 59 63 A A H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 118.9 50.2 -67.2 -37.4 28.1 38.7 15.7 60 64 A A H > S+ 0 0 3 1,-0.2 4,-3.0 -4,-0.2 5,-0.2 0.915 109.6 51.1 -69.3 -37.7 29.7 41.0 18.4 61 65 A D H X S+ 0 0 44 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.921 109.7 50.2 -66.0 -39.9 31.1 37.9 20.2 62 66 A A H X S+ 0 0 63 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.926 111.6 48.5 -63.7 -38.2 32.6 36.6 17.0 63 67 A M H X S+ 0 0 18 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.972 113.8 45.1 -63.2 -54.4 34.2 40.0 16.2 64 68 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.911 111.4 52.2 -64.1 -36.6 35.7 40.4 19.7 65 69 A D H X S+ 0 0 75 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.924 112.6 45.9 -64.8 -34.9 37.0 36.8 19.9 66 70 A K H X S+ 0 0 72 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.918 110.8 51.8 -74.1 -39.9 38.8 37.3 16.5 67 71 A V H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 -2,-0.2 0.936 114.3 44.6 -59.9 -49.3 40.2 40.7 17.5 68 72 A L H ><5S+ 0 0 66 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.901 111.4 51.7 -65.8 -37.9 41.6 39.2 20.7 69 73 A A H 3<5S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.782 107.0 56.7 -66.1 -26.2 43.0 36.0 18.9 70 74 A E T 3<5S- 0 0 44 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.307 124.3-102.8 -93.0 12.1 44.7 38.4 16.4 71 75 A G T < 5S+ 0 0 66 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.559 81.3 116.7 85.0 12.2 46.6 40.1 19.2 72 76 A M < - 0 0 8 -5,-2.4 -1,-0.3 -6,-0.2 -36,-0.3 -0.667 56.5-127.0-113.2 163.3 44.6 43.3 19.6 73 77 A K E -c 36 0A 101 -38,-2.3 -36,-2.2 -2,-0.2 2,-0.4 -0.595 21.7-132.0 -96.3 167.1 42.5 44.8 22.4 74 78 A M E -c 37 0A 1 51,-0.4 53,-2.5 -38,-0.2 54,-0.6 -0.980 6.6-156.0-127.5 130.4 38.9 46.1 22.1 75 79 A H E -cd 38 128A 1 -38,-2.9 -36,-0.7 -2,-0.4 2,-0.4 -0.900 29.2-125.6 -93.8 133.2 37.4 49.3 23.3 76 80 A G E - d 0 129A 0 52,-3.2 54,-3.0 -2,-0.5 2,-0.4 -0.667 24.2-147.7 -87.3 131.7 33.6 48.9 23.8 77 81 A H E - d 0 130A 3 -2,-0.4 -34,-0.4 1,-0.2 -38,-0.1 -0.960 49.5 -10.7-144.7 118.4 31.3 51.3 22.0 78 82 A V E + 0 0 0 52,-0.5 -1,-0.2 -2,-0.4 53,-0.2 0.696 33.6 166.7-158.1 143.6 28.6 52.3 23.1 79 83 A L E S+ 0 0 4 51,-2.4 2,-0.4 1,-0.2 53,-0.2 0.824 84.3 25.0 -81.8 -30.0 26.0 51.7 25.8 80 84 A V E S+ d 0 132A 1 51,-0.7 53,-2.2 50,-0.2 2,-0.3 -0.986 71.0 138.6-143.3 123.8 23.8 54.9 25.6 81 85 A W - 0 0 21 -2,-0.4 53,-0.1 51,-0.2 54,-0.1 -0.982 51.1-128.2-158.3 162.6 23.3 57.1 22.6 82 86 A H S S+ 0 0 51 51,-0.3 2,-0.3 -2,-0.3 3,-0.2 0.320 95.0 58.9 -95.8 0.4 20.4 59.0 20.8 83 87 A Q S S+ 0 0 98 1,-0.2 -37,-0.2 3,-0.0 -2,-0.0 -0.899 107.9 17.1-119.3 162.0 21.3 57.5 17.4 84 88 A Q S S+ 0 0 68 -2,-0.3 -38,-2.6 1,-0.2 -37,-0.3 0.888 97.0 122.1 46.5 45.6 21.4 53.7 16.5 85 89 A S - 0 0 29 -40,-0.2 -1,-0.2 -3,-0.2 -5,-0.0 -0.996 68.0-111.3-143.1 122.8 19.3 53.1 19.6 86 90 A P > - 0 0 19 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.314 18.2-130.2 -68.0 145.2 15.9 51.3 19.5 87 91 A A G >> S+ 0 0 65 1,-0.3 4,-1.4 2,-0.2 3,-1.4 0.781 98.4 73.5 -69.1 -26.4 12.9 53.4 20.3 88 92 A W G 34 S+ 0 0 40 1,-0.3 -1,-0.3 -38,-0.3 22,-0.1 0.702 83.6 70.7 -57.7 -23.9 11.5 50.9 22.8 89 93 A L G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.2 21,-0.2 0.841 122.2 2.7 -63.3 -38.1 14.2 51.8 25.3 90 94 A N T <4 S+ 0 0 8 -3,-1.4 12,-2.0 -4,-0.3 2,-0.3 0.228 120.2 57.7-138.5 8.2 12.7 55.3 26.1 91 95 A T E < -J 101 0C 23 -4,-1.4 2,-0.3 10,-0.3 8,-0.1 -0.945 46.9-174.4-136.5 164.8 9.5 55.8 24.2 92 96 A K E -J 100 0C 106 8,-2.5 8,-3.5 -2,-0.3 2,-0.6 -0.939 34.2 -99.6-145.8 172.1 6.1 54.4 23.6 93 97 A K E -J 99 0C 124 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.875 35.1-146.9 -90.7 113.6 3.0 55.0 21.4 94 98 A D > - 0 0 49 4,-2.7 3,-1.1 -2,-0.6 -1,-0.0 -0.069 37.6 -90.4 -63.4 175.4 0.2 57.0 23.2 95 99 A D T 3 S+ 0 0 175 1,-0.3 2,-1.9 2,-0.1 -1,-0.0 0.983 129.7 55.6 -53.8 -58.5 -3.5 56.1 22.4 96 100 A N T 3 S- 0 0 123 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.086 122.9-110.4 -62.6 31.0 -3.7 58.7 19.5 97 101 A N S < S+ 0 0 104 -2,-1.9 2,-0.3 -3,-1.1 -1,-0.1 0.683 71.6 140.8 33.2 37.3 -0.6 56.8 18.1 98 102 A N - 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