==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUN-04 1WKY . COMPND 2 MOLECULE: ENDO-BETA-1,4-MANNANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR M.AKITA,N.TAKEDA,K.HIRASAWA,H.SAKAI,M.KAWAMOTO,M.YAMAMOTO,W. . 446 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 18.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 0 0 0 1 1 1 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 4 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 PARALLEL BRIDGES PER LADDER . 3 1 3 3 0 2 1 1 1 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 1 0 0 2 0 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 27 A G 0 0 43 0, 0.0 3,-0.1 0, 0.0 167,-0.1 0.000 360.0 360.0 360.0-177.6 66.1 -8.5 13.2 2 28 A R - 0 0 127 1,-0.2 230,-0.1 2,-0.1 94,-0.0 -0.408 360.0 -71.9 -75.8 153.5 69.1 -10.7 12.3 3 29 A P - 0 0 89 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.005 34.1-131.5 -42.8 143.1 69.3 -12.5 9.0 4 30 A A 0 0 51 -3,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.775 360.0 360.0 -69.4 -26.2 66.9 -15.4 8.5 5 31 A N 0 0 133 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.920 360.0 360.0-124.3 360.0 69.9 -17.4 7.3 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 34 A S 0 0 136 0, 0.0 115,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 116.0 64.2 21.4 32.0 8 35 A G - 0 0 13 1,-0.2 114,-0.3 113,-0.2 113,-0.1 -0.800 360.0 -3.2-166.9-151.4 62.8 18.4 30.2 9 36 A F + 0 0 5 112,-2.2 2,-0.3 -2,-0.2 9,-0.2 -0.216 59.0 175.7 -58.2 146.2 62.1 14.7 30.4 10 37 A Y E -A 17 0A 99 7,-2.0 7,-3.3 -3,-0.1 2,-0.4 -0.990 24.6-128.5-153.3 151.9 63.3 12.9 33.5 11 38 A V E +A 16 0A 17 -2,-0.3 2,-0.3 178,-0.3 5,-0.2 -0.832 19.8 177.1-104.8 139.6 63.1 9.4 35.0 12 39 A S E > -A 15 0A 67 3,-2.5 3,-1.8 -2,-0.4 2,-0.2 -0.872 66.0 -53.0-141.3 101.9 62.0 8.7 38.6 13 40 A G T 3 S- 0 0 25 -2,-0.3 208,-0.3 1,-0.3 -1,-0.1 -0.453 121.0 -16.9 66.8-133.5 61.8 5.0 39.3 14 41 A T T 3 S+ 0 0 55 -2,-0.2 208,-0.5 206,-0.1 2,-0.4 0.331 121.1 90.2 -87.7 7.8 59.8 3.1 36.7 15 42 A T E < -A 12 0A 43 -3,-1.8 -3,-2.5 206,-0.1 2,-0.6 -0.884 61.4-151.8-113.3 137.7 58.1 6.3 35.5 16 43 A L E -A 11 0A 11 -2,-0.4 8,-3.1 8,-0.4 2,-0.4 -0.910 21.9-159.7-100.7 124.4 59.2 8.7 32.7 17 44 A Y E -AB 10 23A 54 -7,-3.3 -7,-2.0 -2,-0.6 2,-0.1 -0.855 10.4-130.9-108.7 142.8 57.9 12.2 33.4 18 45 A D > - 0 0 1 4,-2.8 3,-2.5 -2,-0.4 4,-0.1 -0.284 44.0 -85.9 -80.2 174.0 57.5 15.0 30.9 19 46 A A T 3 S+ 0 0 22 103,-0.3 -1,-0.1 1,-0.3 -11,-0.1 0.671 128.2 56.6 -55.1 -19.8 58.9 18.5 31.6 20 47 A N T 3 S- 0 0 100 2,-0.2 -1,-0.3 102,-0.1 -11,-0.0 0.422 121.1-104.1 -93.3 0.3 55.7 19.5 33.5 21 48 A G S < S+ 0 0 28 -3,-2.5 -2,-0.1 1,-0.3 -12,-0.0 0.688 78.9 132.9 85.6 19.0 56.0 16.6 35.9 22 49 A N - 0 0 71 -4,-0.1 -4,-2.8 1,-0.0 -1,-0.3 -0.893 64.3-105.0-106.7 131.1 53.3 14.5 34.3 23 50 A P B -B 17 0A 80 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.197 33.7-152.9 -51.7 137.7 53.9 10.8 33.6 24 51 A F - 0 0 12 -8,-3.1 2,-0.7 225,-0.1 -8,-0.4 -0.972 10.0-169.5-120.5 122.6 54.5 10.1 29.9 25 52 A V - 0 0 46 -2,-0.5 272,-0.4 272,-0.2 225,-0.1 -0.917 24.6-129.6-114.0 106.0 53.6 6.8 28.4 26 53 A M + 0 0 3 -2,-0.7 226,-2.2 223,-0.1 2,-0.3 -0.282 31.7 170.4 -57.6 130.8 54.9 6.3 24.9 27 54 A R E +c 252 0B 1 224,-0.2 26,-2.5 270,-0.1 27,-0.7 -0.820 37.6 107.0-141.1 91.7 52.3 5.2 22.3 28 55 A G E -cd 253 54B 0 224,-2.1 226,-2.4 -2,-0.3 2,-0.3 -0.738 56.2 -92.2-151.1-160.6 53.9 5.5 18.9 29 56 A I E -cd 254 55B 1 25,-1.6 27,-2.2 224,-0.3 2,-0.4 -0.960 23.4-127.1-136.1 146.1 55.5 4.4 15.7 30 57 A N E - d 0 56B 0 224,-2.6 227,-3.0 -2,-0.3 2,-0.5 -0.732 23.1-163.1 -88.6 137.1 59.0 3.7 14.3 31 58 A H E - d 0 57B 0 25,-3.0 27,-2.3 -2,-0.4 2,-2.3 -0.984 17.5-140.6-126.5 121.1 59.9 5.5 11.0 32 59 A G >> + 0 0 3 -2,-0.5 3,-1.1 226,-0.5 4,-0.9 -0.316 40.2 156.2 -76.8 59.0 62.8 4.3 8.9 33 60 A H G >4 + 0 0 3 -2,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.866 60.7 65.2 -50.3 -48.8 63.9 7.8 7.9 34 61 A A G 34 S+ 0 0 5 24,-1.7 3,-0.4 -3,-0.3 32,-0.3 0.778 108.7 39.5 -50.0 -32.7 67.6 6.9 7.2 35 62 A W G <4 S+ 0 0 88 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.625 126.7 34.2 -93.0 -16.7 66.6 4.7 4.2 36 63 A Y X< + 0 0 88 -3,-1.1 3,-1.8 -4,-0.9 -1,-0.2 -0.503 68.3 163.3-137.0 62.3 63.8 7.0 2.9 37 64 A K G > S+ 0 0 61 -3,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.787 70.5 60.1 -55.5 -34.7 65.0 10.5 3.6 38 65 A D G 3 S+ 0 0 161 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.597 94.9 65.3 -72.8 -9.6 62.6 12.3 1.2 39 66 A Q G <> + 0 0 55 -3,-1.8 4,-3.2 -6,-0.2 5,-0.4 0.388 68.3 109.2 -92.8 4.3 59.6 10.9 3.1 40 67 A A H <> S+ 0 0 16 -3,-1.3 4,-2.4 1,-0.2 5,-0.3 0.898 82.3 36.5 -46.2 -59.3 60.3 12.8 6.3 41 68 A T H > S+ 0 0 67 -3,-0.2 4,-2.4 2,-0.2 5,-0.3 0.957 119.9 47.4 -63.1 -51.7 57.4 15.3 6.1 42 69 A T H > S+ 0 0 57 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.918 116.6 43.8 -55.9 -48.3 54.9 12.9 4.6 43 70 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.923 114.1 47.1 -66.1 -48.3 55.6 10.2 7.1 44 71 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.4 -1,-0.2 0.892 114.7 46.4 -65.3 -37.6 55.8 12.2 10.3 45 72 A E H X S+ 0 0 101 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.896 113.2 51.3 -69.5 -37.2 52.6 14.1 9.5 46 73 A G H < S+ 0 0 7 -4,-1.9 4,-0.5 -5,-0.3 -2,-0.2 0.903 110.1 48.4 -63.9 -41.5 51.0 10.7 8.6 47 74 A I H ><>S+ 0 0 0 -4,-2.7 5,-1.0 1,-0.2 3,-0.9 0.860 108.3 54.7 -67.3 -35.4 52.2 9.3 11.9 48 75 A A H ><5S+ 0 0 25 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.899 100.7 60.3 -64.8 -38.1 50.8 12.3 13.8 49 76 A N T 3<5S+ 0 0 137 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.660 93.2 65.7 -64.5 -17.0 47.4 11.7 12.2 50 77 A T T < 5S- 0 0 14 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.635 117.1-109.6 -79.2 -14.8 47.2 8.2 13.8 51 78 A G T < 5 + 0 0 33 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.450 65.3 155.0 98.1 2.1 47.1 9.8 17.3 52 79 A A < - 0 0 1 -5,-1.0 -1,-0.3 1,-0.1 -24,-0.2 -0.257 34.8-158.3 -59.9 149.7 50.6 8.6 18.2 53 80 A N S S+ 0 0 1 -26,-2.5 33,-2.3 1,-0.2 246,-0.3 0.445 73.7 36.4-109.5 -1.9 52.3 10.7 20.8 54 81 A T E -de 28 86B 0 -27,-0.7 -25,-1.6 31,-0.2 2,-0.4 -0.996 58.1-162.1-149.7 147.1 55.9 9.6 19.9 55 82 A V E -de 29 87B 0 31,-2.5 33,-2.5 -2,-0.3 2,-0.6 -0.999 13.5-147.7-132.2 128.5 57.8 8.8 16.7 56 83 A R E -de 30 88B 0 -27,-2.2 -25,-3.0 -2,-0.4 2,-0.5 -0.893 21.1-153.5 -96.8 120.2 61.1 6.8 16.8 57 84 A I E -de 31 89B 0 31,-2.7 33,-2.0 -2,-0.6 2,-0.5 -0.865 7.8-137.1-105.3 122.0 63.3 8.1 14.0 58 85 A V E - e 0 90B 0 -27,-2.3 -24,-1.7 -2,-0.5 2,-0.3 -0.616 28.8-178.6 -76.8 117.5 65.9 5.9 12.4 59 86 A L E - e 0 91B 0 31,-2.9 33,-2.7 -2,-0.5 2,-0.4 -0.808 17.7-140.7-115.6 157.4 69.2 7.9 11.8 60 87 A S - 0 0 0 -2,-0.3 8,-2.6 6,-0.3 31,-0.1 -0.962 8.9-162.9-119.7 136.2 72.4 6.9 10.2 61 88 A D - 0 0 5 -2,-0.4 6,-0.2 6,-0.2 -1,-0.1 0.211 61.7 -96.1 -97.2 14.3 75.9 8.0 11.4 62 89 A G S S+ 0 0 24 4,-0.2 5,-0.1 0, 0.0 -2,-0.0 0.446 96.5 116.5 88.5 0.1 77.3 7.0 8.1 63 90 A G S S- 0 0 38 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.888 99.3 -5.5 -67.9 -40.1 78.4 3.5 9.2 64 91 A Q S S+ 0 0 88 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.606 133.4 24.4-125.5 -28.8 76.1 1.6 6.8 65 92 A W S S- 0 0 81 1,-0.1 2,-0.5 3,-0.0 -30,-0.1 -0.509 104.0 -49.8-125.8-166.4 73.9 4.2 5.1 66 93 A T - 0 0 100 -32,-0.3 -6,-0.3 -2,-0.2 -4,-0.2 -0.598 63.5-117.0 -74.5 119.0 74.0 7.9 4.2 67 94 A K - 0 0 82 -2,-0.5 2,-0.8 -6,-0.2 -6,-0.2 -0.251 21.9-126.9 -55.2 136.3 74.9 9.9 7.3 68 95 A D - 0 0 1 -8,-2.6 -1,-0.1 4,-0.0 5,-0.0 -0.803 29.4-141.4 -89.8 113.1 72.1 12.2 8.4 69 96 A D >> - 0 0 87 -2,-0.8 4,-2.3 1,-0.1 3,-0.6 -0.167 24.7 -98.5 -72.5 168.1 73.6 15.7 8.7 70 97 A I H 3> S+ 0 0 45 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.794 122.4 55.1 -58.5 -31.1 72.8 18.2 11.4 71 98 A Q H 3> S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.886 109.1 48.9 -69.7 -35.7 70.4 20.2 9.3 72 99 A T H <> S+ 0 0 35 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.929 110.7 50.1 -66.9 -45.4 68.5 16.9 8.7 73 100 A V H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.934 111.6 48.3 -58.6 -46.7 68.5 16.2 12.4 74 101 A R H X S+ 0 0 96 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.906 111.6 50.2 -61.1 -40.5 67.2 19.7 13.1 75 102 A N H X S+ 0 0 79 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.888 109.3 50.6 -65.3 -40.1 64.5 19.3 10.5 76 103 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.899 110.7 48.7 -65.2 -41.1 63.3 16.0 11.8 77 104 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.908 111.0 51.6 -65.0 -40.1 63.0 17.4 15.4 78 105 A S H X S+ 0 0 49 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.910 108.8 50.1 -62.4 -44.2 61.1 20.4 14.0 79 106 A L H X S+ 0 0 26 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.915 112.6 47.1 -61.1 -43.4 58.7 18.1 12.1 80 107 A A H ><>S+ 0 0 1 -4,-2.2 5,-2.9 2,-0.2 3,-0.9 0.972 115.9 44.4 -62.1 -53.9 58.1 16.0 15.3 81 108 A E H ><5S+ 0 0 42 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.910 108.9 55.5 -57.3 -47.6 57.6 19.1 17.4 82 109 A D H 3<5S+ 0 0 122 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.743 112.2 45.5 -59.8 -21.9 55.3 20.9 14.9 83 110 A N T <<5S- 0 0 41 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.132 118.2-110.8-107.9 19.4 53.1 17.8 15.0 84 111 A N T < 5S+ 0 0 67 -3,-2.2 2,-0.4 1,-0.2 215,-0.3 0.817 71.4 141.0 55.6 37.5 53.1 17.5 18.8 85 112 A L < - 0 0 1 -5,-2.9 2,-0.3 -6,-0.2 -31,-0.2 -0.902 53.3-129.4-112.9 137.8 55.2 14.3 18.7 86 113 A V E -e 54 0B 0 -33,-2.3 -31,-2.5 -2,-0.4 2,-0.6 -0.635 29.3-136.9 -77.9 138.7 57.9 13.4 21.1 87 114 A A E -ef 55 124B 1 36,-2.8 38,-2.7 -2,-0.3 2,-0.8 -0.898 18.2-169.9-107.3 120.7 61.0 12.4 19.1 88 115 A V E -ef 56 125B 0 -33,-2.5 -31,-2.7 -2,-0.6 2,-0.4 -0.933 17.8-162.4-104.1 108.1 63.0 9.3 20.0 89 116 A L E +ef 57 126B 0 36,-2.2 38,-3.1 -2,-0.8 2,-0.3 -0.753 11.2 179.5 -93.4 140.5 66.1 9.6 17.8 90 117 A E E -ef 58 127B 0 -33,-2.0 -31,-2.9 -2,-0.4 2,-0.6 -0.998 28.3-131.7-143.5 144.9 68.3 6.5 17.3 91 118 A V E -e 59 0B 0 36,-0.9 39,-2.7 -2,-0.3 3,-0.3 -0.872 21.2-173.3 -96.3 123.0 71.5 5.6 15.4 92 119 A H > + 0 0 17 -33,-2.7 3,-1.7 -2,-0.6 -32,-0.1 0.566 58.6 90.6 -94.6 -13.4 71.0 2.4 13.4 93 120 A D T 3 S+ 0 0 6 -34,-0.3 -1,-0.2 1,-0.3 -33,-0.1 0.595 84.8 54.2 -65.5 -11.3 74.4 1.6 12.0 94 121 A A T > S+ 0 0 0 -3,-0.3 3,-2.1 36,-0.1 39,-0.5 0.230 74.0 147.7-105.0 12.8 75.6 -0.5 14.9 95 122 A T T < S- 0 0 21 -3,-1.7 37,-0.2 1,-0.3 36,-0.2 -0.276 77.8 -3.5 -54.1 117.4 72.6 -2.9 14.8 96 123 A G T 3 S+ 0 0 17 35,-2.8 38,-0.6 1,-0.3 -1,-0.3 0.340 100.5 134.3 82.6 -7.2 73.6 -6.4 15.9 97 124 A Y < - 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