==== 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 08-JUL-04 1WME . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP.; . AUTHOR T.NONAKA,M.FUJIHASHI,A.KITA,K.SAEKI,S.ITO,K.HORIKOSHI,K.MIKI . 434 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 13.1 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 1 0 1 0 2 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 1 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 1 1 1 2 1 1 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 2 0 0 0 0 0 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 1 A N > 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.5 17.8 63.3 66.3 2 2 A D H > + 0 0 82 226,-0.3 4,-0.7 1,-0.2 225,-0.0 0.806 360.0 37.6 -66.9 -29.1 19.9 66.0 68.0 3 3 A V H >> S+ 0 0 44 2,-0.2 4,-1.7 1,-0.1 3,-0.6 0.893 114.3 54.0 -85.5 -42.3 18.9 64.9 71.4 4 4 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 6,-0.3 0.864 100.1 64.0 -57.7 -36.4 19.0 61.2 70.6 5 5 A R H 3<>S+ 0 0 73 -4,-2.6 5,-1.8 1,-0.2 6,-1.3 0.904 106.6 43.1 -54.3 -44.0 22.6 61.7 69.3 6 6 A G H <<5S+ 0 0 28 -4,-0.7 3,-0.3 -3,-0.6 -1,-0.2 0.855 110.3 55.7 -71.4 -35.2 23.7 62.6 72.8 7 7 A I H <5S+ 0 0 23 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.9 36.6 -65.0 -45.0 21.8 59.9 74.5 8 8 A V T <5S- 0 0 0 -4,-2.5 304,-2.9 303,-0.1 305,-0.2 0.437 113.4-117.6 -91.0 2.9 23.3 57.0 72.5 9 9 A K T >5S+ 0 0 59 -4,-0.4 4,-1.7 -3,-0.3 -3,-0.2 0.723 70.7 137.9 70.3 27.9 26.7 58.8 72.5 10 10 A A H >< + 0 0 0 -5,-1.8 4,-2.3 -6,-0.3 -4,-0.2 0.781 70.0 63.6 -68.2 -25.0 26.9 59.2 68.7 11 11 A D H > S+ 0 0 47 -6,-1.3 4,-3.4 2,-0.2 5,-0.3 0.912 102.2 46.6 -64.5 -40.9 28.2 62.7 69.6 12 12 A V H >>S+ 0 0 37 -7,-0.3 4,-2.7 2,-0.2 5,-0.9 0.914 111.5 51.7 -68.0 -40.2 31.3 61.3 71.3 13 13 A A H X5S+ 0 0 0 -4,-1.7 6,-2.4 3,-0.2 4,-0.8 0.922 116.4 41.4 -61.2 -39.9 31.8 58.9 68.3 14 14 A Q H X5S+ 0 0 11 -4,-2.3 4,-1.0 4,-0.3 -2,-0.2 0.969 123.6 34.2 -71.4 -57.3 31.6 61.8 66.0 15 15 A S H <5S+ 0 0 91 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.865 129.5 30.6 -74.3 -34.9 33.6 64.4 67.9 16 16 A S H <5S+ 0 0 94 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.790 133.1 26.6 -95.7 -29.8 36.2 62.2 69.6 17 17 A Y H < + 0 0 0 1,-0.2 3,-2.4 68,-0.2 70,-0.3 0.517 60.1 168.5 89.7 7.8 29.8 56.9 58.6 22 22 A Q T 3 + 0 0 97 1,-0.3 -1,-0.2 68,-0.2 68,-0.2 -0.313 68.1 19.6 -57.5 135.2 32.0 57.9 55.6 23 23 A G T 3 S+ 0 0 54 66,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.289 102.3 111.2 86.7 -7.2 32.6 55.0 53.2 24 24 A Q < - 0 0 13 -3,-2.4 67,-2.6 65,-0.1 2,-0.5 -0.752 53.0-154.3 -98.2 147.1 29.6 53.1 54.6 25 25 A I E -a 91 0A 36 97,-0.3 99,-1.7 -2,-0.3 100,-0.8 -0.988 9.0-166.9-120.0 122.9 26.4 52.4 52.6 26 26 A V E -ab 92 125A 0 65,-2.4 67,-2.6 -2,-0.5 2,-0.4 -0.905 9.1-147.8-110.2 133.6 23.2 51.8 54.5 27 27 A A E -ab 93 126A 0 98,-3.0 100,-2.7 -2,-0.4 2,-0.4 -0.887 10.2-166.9-101.2 139.4 20.1 50.4 52.9 28 28 A V E -ab 94 127A 0 65,-2.6 67,-2.9 -2,-0.4 2,-0.6 -0.990 6.7-164.1-122.5 123.6 16.6 51.5 54.1 29 29 A A E +ab 95 128A 0 98,-1.8 100,-0.5 -2,-0.4 2,-0.2 -0.945 43.6 116.6-105.3 116.1 13.5 49.6 52.9 30 30 A D E S-a 96 0A 5 65,-2.1 67,-2.5 -2,-0.6 68,-0.5 -0.860 75.3 -59.0-166.4-170.2 10.5 51.8 53.8 31 31 A T S S- 0 0 9 -2,-0.2 67,-1.5 65,-0.2 2,-0.3 0.932 91.2 -64.1 -60.1 -54.0 7.6 53.8 52.2 32 32 A G - 0 0 0 64,-0.2 2,-0.5 65,-0.1 31,-0.3 -0.954 44.2-100.8-180.0 179.2 9.5 56.2 49.9 33 33 A L > - 0 0 0 29,-2.6 3,-2.7 -2,-0.3 4,-0.2 -0.884 57.0 -81.7-133.7 102.2 11.9 59.1 50.0 34 34 A D T 3 S- 0 0 3 -2,-0.5 30,-2.7 1,-0.3 -1,-0.2 -0.125 115.0 -0.4 41.7-117.7 10.6 62.7 49.7 35 35 A T T 3 S- 0 0 25 28,-0.2 28,-0.3 2,-0.2 -1,-0.3 0.598 90.0-129.6 -77.0 -11.7 10.1 63.5 46.0 36 36 A G S < S+ 0 0 17 -3,-2.7 2,-0.4 26,-0.3 26,-0.4 0.611 73.3 111.5 74.5 14.1 11.3 60.0 44.9 37 37 A R - 0 0 134 -4,-0.2 2,-1.9 2,-0.1 -1,-0.2 -0.982 66.5-140.6-123.2 128.3 13.8 61.6 42.3 38 38 A N S S+ 0 0 85 -2,-0.4 2,-0.2 15,-0.1 15,-0.0 -0.549 73.9 89.5 -83.2 73.5 17.6 61.5 42.7 39 39 A D S > S- 0 0 59 -2,-1.9 3,-1.5 0, 0.0 9,-0.1 -0.745 101.3 -64.9-149.4-166.7 18.0 65.1 41.5 40 40 A S T 3 S+ 0 0 105 1,-0.3 7,-0.1 -2,-0.2 -2,-0.1 0.573 121.1 71.3 -74.5 -0.2 18.1 68.6 42.9 41 41 A S T 3 S+ 0 0 39 2,-0.1 -1,-0.3 -4,-0.1 -6,-0.2 0.694 76.4 108.3 -80.5 -17.0 14.4 68.3 44.0 42 42 A M S < S- 0 0 0 -3,-1.5 5,-0.2 -5,-0.2 -8,-0.1 -0.262 85.4 -87.0 -66.8 144.7 15.4 65.9 46.7 43 43 A H >> - 0 0 13 1,-0.1 3,-2.4 3,-0.1 4,-1.7 -0.168 38.4-115.7 -43.1 135.9 15.3 67.0 50.4 44 44 A E T 34 S+ 0 0 44 1,-0.3 35,-0.2 2,-0.2 -1,-0.1 0.713 110.6 67.5 -49.9 -27.7 18.5 68.6 51.5 45 45 A A T 34 S+ 0 0 2 1,-0.2 34,-2.3 33,-0.1 -1,-0.3 0.760 117.9 20.4 -68.6 -20.7 19.2 65.8 54.0 46 46 A F T X4 S+ 0 0 0 -3,-2.4 3,-2.5 32,-0.2 -2,-0.2 0.525 86.1 126.6-124.4 -14.2 19.7 63.3 51.2 47 47 A R T 3< S+ 0 0 127 -4,-1.7 -7,-0.1 1,-0.3 -9,-0.1 -0.248 85.6 7.1 -53.9 126.5 20.5 65.3 48.1 48 48 A G T 3 S+ 0 0 74 -9,-0.1 -1,-0.3 2,-0.1 -4,-0.0 0.435 114.0 80.3 86.6 -2.8 23.8 64.1 46.6 49 49 A K < + 0 0 19 -3,-2.5 43,-2.7 42,-0.1 2,-0.8 0.161 57.9 115.7-123.1 22.4 24.3 61.0 48.8 50 50 A I E -c 92 0A 14 -4,-0.2 43,-0.2 41,-0.2 3,-0.2 -0.818 35.4-179.0-100.8 111.9 21.9 58.5 47.2 51 51 A T E S- 0 0 63 41,-2.2 2,-0.3 -2,-0.8 42,-0.2 0.895 75.2 -6.6 -69.0 -44.6 23.7 55.5 45.8 52 52 A A E -c 93 0A 12 40,-1.3 42,-2.6 2,-0.0 2,-0.5 -0.967 54.7-162.2-157.1 141.8 20.5 53.9 44.5 53 53 A L E -c 94 0A 37 -2,-0.3 2,-0.5 40,-0.2 42,-0.2 -0.965 19.5-169.8-130.9 107.8 16.8 54.7 44.8 54 54 A Y E -c 95 0A 70 40,-3.4 42,-3.2 -2,-0.5 2,-0.8 -0.866 15.8-150.4-110.0 131.8 14.6 51.7 43.9 55 55 A A E +c 96 0A 33 -2,-0.5 5,-0.4 40,-0.2 42,-0.1 -0.842 32.2 151.6 -98.4 107.3 10.8 51.8 43.4 56 56 A L + 0 0 63 40,-2.9 41,-0.2 -2,-0.8 -1,-0.2 0.764 68.9 44.7-102.6 -35.3 9.3 48.3 44.3 57 57 A G S S+ 0 0 19 39,-1.8 43,-0.5 1,-0.3 2,-0.4 0.799 122.9 25.5 -88.5 -30.9 5.8 49.1 45.4 58 58 A R S > S- 0 0 25 3,-0.4 3,-2.1 38,-0.3 -1,-0.3 -0.975 96.4-105.4-132.0 121.7 4.7 51.5 42.7 59 59 A T T 3 S- 0 0 133 -2,-0.4 -3,-0.1 1,-0.3 3,-0.0 -0.108 97.4 -11.2 -49.3 125.9 6.4 51.3 39.2 60 60 A N T 3 S+ 0 0 159 -5,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.778 112.9 103.4 52.4 27.5 8.8 54.2 38.7 61 61 A N < + 0 0 57 -3,-2.1 -3,-0.4 35,-0.1 -4,-0.2 -0.846 27.9 157.6-140.5 106.7 7.5 56.1 41.8 62 62 A A + 0 0 7 -26,-0.4 -29,-2.6 -2,-0.4 -26,-0.3 0.089 35.7 131.3-106.9 21.3 9.6 56.0 44.9 63 63 A N - 0 0 29 -28,-0.3 2,-0.6 -31,-0.3 -28,-0.2 -0.225 56.2-125.0 -73.3 172.2 8.1 59.2 46.4 64 64 A D + 0 0 0 -30,-2.7 170,-0.4 -32,-0.2 -30,-0.1 -0.802 37.6 159.3-125.6 90.5 6.9 59.5 50.0 65 65 A T S S+ 0 0 73 -2,-0.6 -1,-0.1 1,-0.1 -30,-0.0 0.537 81.3 51.1 -81.4 -3.8 3.3 60.7 50.4 66 66 A N S S- 0 0 63 169,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.898 92.1-141.3 -99.2 -49.7 3.2 59.1 53.9 67 67 A G S > S+ 0 0 0 168,-0.1 4,-1.9 -33,-0.1 5,-0.2 0.049 72.0 104.2 108.2 -20.5 6.3 60.6 55.5 68 68 A H H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.949 81.9 45.2 -59.9 -51.8 7.4 57.5 57.5 69 69 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 112.1 51.4 -64.9 -34.9 10.3 56.4 55.2 70 70 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 160,-0.3 0.922 112.2 46.3 -67.9 -41.1 11.8 60.0 54.8 71 71 A H H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 159,-0.4 0.940 113.6 49.1 -63.5 -47.1 11.8 60.5 58.6 72 72 A V H >X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-0.7 0.957 111.9 47.0 -59.8 -50.9 13.4 57.0 59.1 73 73 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 5,-0.4 0.900 107.4 60.1 -60.7 -34.9 16.1 57.6 56.5 74 74 A G H 3X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.855 102.7 50.2 -61.3 -33.9 16.7 61.0 58.0 75 75 A S H << S+ 0 0 0 -4,-1.4 11,-2.3 -3,-0.7 -1,-0.2 0.808 109.9 51.9 -77.4 -27.3 17.6 59.5 61.4 76 76 A V H < S- 0 0 0 -4,-1.5 11,-2.2 9,-0.2 -2,-0.2 0.963 139.4 -21.7 -67.4 -51.3 20.1 57.0 59.8 77 77 A L H < S+ 0 0 0 -4,-2.2 -3,-0.2 8,-0.2 -2,-0.2 0.176 75.8 156.3-154.2 15.1 22.2 59.5 57.8 78 78 A G < - 0 0 3 -4,-1.9 7,-2.4 -5,-0.4 -32,-0.2 -0.336 17.5-171.9 -58.8 141.2 20.4 62.8 57.0 79 79 A N + 0 0 71 -34,-2.3 -1,-0.1 5,-0.2 5,-0.1 -0.247 33.3 133.0-127.9 45.3 22.9 65.5 56.3 80 80 A G S S- 0 0 5 2,-0.3 4,-0.1 -6,-0.1 -35,-0.1 -0.137 76.0 -87.8 -83.6-175.1 20.8 68.6 56.1 81 81 A S S S+ 0 0 89 2,-0.1 2,-0.3 3,-0.0 3,-0.1 0.756 108.6 20.9 -72.7 -22.9 21.6 71.8 57.9 82 82 A T S S+ 0 0 61 1,-0.1 -2,-0.3 0, 0.0 0, 0.0 -0.883 114.2 27.6-134.7 164.9 19.8 70.8 61.1 83 83 A N S S- 0 0 12 -2,-0.3 147,-0.2 1,-0.1 -1,-0.1 0.831 76.9-168.7 57.2 41.3 18.6 67.6 62.8 84 84 A K - 0 0 77 -4,-0.1 -5,-0.2 -3,-0.1 -1,-0.1 -0.150 19.6-110.3 -63.4 155.9 21.2 65.3 61.2 85 85 A G - 0 0 2 -7,-2.4 -9,-0.2 -40,-0.1 -8,-0.2 -0.147 36.4 -97.4 -74.6 177.2 21.1 61.6 61.3 86 86 A M S S+ 0 0 0 -11,-2.3 -9,-0.2 1,-0.3 -10,-0.1 0.804 120.5 32.1 -73.1 -27.9 23.6 59.5 63.4 87 87 A A S > S+ 0 0 0 -11,-2.2 3,-1.9 -12,-0.2 -1,-0.3 -0.664 71.3 170.5-127.2 70.4 25.9 58.8 60.4 88 88 A P T 3 S+ 0 0 4 0, 0.0 -67,-0.2 0, 0.0 -11,-0.1 0.569 74.3 52.7 -71.2 -6.7 25.6 61.9 58.2 89 89 A Q T 3 S+ 0 0 94 -69,-2.9 -66,-0.5 2,-0.1 -68,-0.2 0.409 85.0 107.5-104.6 4.0 28.4 61.0 55.8 90 90 A A < - 0 0 0 -3,-1.9 2,-0.2 -70,-0.7 -65,-0.2 -0.424 69.6-122.6 -71.7 153.5 27.1 57.5 55.0 91 91 A N E -a 25 0A 62 -67,-2.6 -65,-2.4 -70,-0.3 2,-0.5 -0.646 24.8-125.9 -97.2 157.8 25.6 56.9 51.6 92 92 A L E -ac 26 50A 0 -43,-2.7 -41,-2.2 -2,-0.2 -40,-1.3 -0.886 20.5-172.8-115.6 131.0 22.0 55.7 51.1 93 93 A V E -ac 27 52A 0 -67,-2.6 -65,-2.6 -2,-0.5 2,-0.5 -0.988 23.7-166.2-105.7 122.3 20.4 52.8 49.2 94 94 A F E -ac 28 53A 0 -42,-2.6 -40,-3.4 -2,-0.5 2,-0.6 -0.953 14.0-167.6-120.6 125.4 16.6 53.3 49.4 95 95 A Q E -ac 29 54A 0 -67,-2.9 -65,-2.1 -2,-0.5 2,-0.7 -0.935 14.5-150.2-109.3 107.8 14.1 50.6 48.5 96 96 A S E +ac 30 55A 0 -42,-3.2 -40,-2.9 -2,-0.6 -39,-1.8 -0.742 24.4 167.4 -83.3 110.5 10.6 52.1 48.2 97 97 A I + 0 0 0 -67,-2.5 9,-2.3 -2,-0.7 10,-0.4 0.324 32.0 116.3-108.0 2.4 8.1 49.4 49.2 98 98 A M - 0 0 6 -67,-1.5 6,-0.2 -68,-0.5 -41,-0.2 -0.557 52.4-147.4 -75.5 137.6 4.9 51.3 49.6 99 99 A D > - 0 0 41 4,-2.3 3,-2.0 -2,-0.3 -41,-0.2 -0.373 33.7 -89.2 -95.0 177.7 2.1 50.4 47.2 100 100 A S T 3 S+ 0 0 115 -43,-0.5 -42,-0.1 1,-0.3 -2,-0.1 0.649 126.9 52.6 -56.5 -21.5 -0.7 52.4 45.6 101 101 A G T 3 S- 0 0 76 2,-0.0 -1,-0.3 0, 0.0 3,-0.1 0.314 120.4-104.4 -97.3 -1.7 -2.9 51.6 48.6 102 102 A G S < S+ 0 0 48 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.554 84.8 123.2 86.0 10.0 -0.5 52.7 51.3 103 103 A G S S- 0 0 30 -46,-0.1 -4,-2.3 -72,-0.0 -1,-0.3 -0.198 77.5-106.6 -91.6 179.5 0.3 49.1 52.1 104 104 A L > + 0 0 71 -6,-0.2 3,-2.1 1,-0.2 -6,-0.2 -0.090 68.3 136.6-105.1 40.2 3.8 47.4 52.0 105 105 A G T 3 + 0 0 55 1,-0.3 -1,-0.2 -48,-0.1 -7,-0.2 0.565 53.3 76.5 -65.7 -12.3 3.0 45.5 48.9 106 106 A G T 3 S+ 0 0 10 -9,-2.3 -1,-0.3 -3,-0.3 -8,-0.1 0.594 70.5 106.9 -69.4 -16.1 6.4 46.2 47.3 107 107 A L S < S- 0 0 42 -3,-2.1 4,-0.1 -10,-0.4 2,-0.1 -0.490 73.4-126.2 -64.8 131.9 8.0 43.6 49.6 108 108 A P - 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