==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-09 3HBU . COMPND 2 MOLECULE: SECRETED PROTEASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR A.E.OBERHOLZER,M.BUMANN,T.HEGE,S.RUSSO,U.BAUMANN . 466 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 51 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 11 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 PARALLEL BRIDGES PER LADDER . 7 4 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 0 2 0 0 0 0 1 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 P A 0 0 114 0, 0.0 2,-1.3 0, 0.0 403,-0.1 0.000 360.0 360.0 360.0 33.9 45.1 74.5 2.8 2 19 P N - 0 0 130 401,-0.1 2,-0.2 402,-0.0 401,-0.1 -0.537 360.0-178.3 -67.8 95.3 43.6 71.7 0.8 3 20 P T - 0 0 24 -2,-1.3 398,-0.1 1,-0.1 396,-0.0 -0.561 28.0 -92.8 -95.9 164.1 45.6 68.7 2.2 4 21 P S > - 0 0 23 -2,-0.2 4,-2.2 1,-0.1 -1,-0.1 -0.112 31.5-109.6 -71.8 169.2 45.3 65.1 1.2 5 22 P S H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.816 118.0 54.4 -69.3 -31.0 43.1 62.4 2.8 6 23 P A H > S+ 0 0 14 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.907 110.2 45.0 -70.3 -42.6 46.1 60.7 4.2 7 24 P Y H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.916 110.5 55.7 -64.7 -42.4 47.4 63.8 5.9 8 25 P N H X S+ 0 0 63 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.868 104.4 53.3 -57.2 -37.9 43.9 64.6 7.2 9 26 P S H X S+ 0 0 31 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.817 110.9 46.4 -70.1 -31.7 43.7 61.1 8.9 10 27 P V H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.949 113.5 48.9 -68.7 -52.1 47.0 61.8 10.7 11 28 P Y H X S+ 0 0 93 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.909 115.4 43.7 -52.8 -48.5 45.7 65.3 11.7 12 29 P D H >< S+ 0 0 103 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.909 113.4 50.0 -67.1 -43.3 42.4 63.9 12.9 13 30 P F H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.3 -2,-0.2 0.828 103.0 60.6 -67.5 -32.2 43.9 60.9 14.8 14 31 P L H 3< S+ 0 0 53 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.802 108.9 45.3 -59.6 -28.5 46.4 63.2 16.5 15 32 P R T X< S+ 0 0 105 -3,-0.8 3,-1.6 -4,-0.7 -1,-0.2 0.208 80.8 138.4-104.6 12.4 43.4 64.9 18.0 16 33 P Y T < S- 0 0 46 -3,-1.3 289,-0.3 1,-0.3 -3,-0.1 -0.396 81.5 -1.9 -54.3 124.4 41.6 61.7 18.9 17 34 P H T 3 S- 0 0 42 1,-0.1 -1,-0.3 -2,-0.1 -4,-0.0 0.803 84.4-171.6 59.2 33.0 40.0 62.2 22.4 18 35 P D < - 0 0 86 -3,-1.6 2,-0.3 1,-0.0 -1,-0.1 -0.268 11.5-169.5 -49.7 143.6 41.3 65.7 22.9 19 36 P R + 0 0 30 11,-0.1 13,-0.2 5,-0.0 14,-0.1 -0.967 33.5 6.3-145.4 156.0 40.6 66.7 26.5 20 37 P G > + 0 0 0 -2,-0.3 3,-1.7 11,-0.2 11,-0.1 -0.296 67.2 108.4 70.3-158.5 40.6 69.7 28.8 21 38 P D T 3 S- 0 0 154 1,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.847 115.8 -58.3 55.9 39.9 41.4 73.2 27.5 22 39 P G T 3 S+ 0 0 77 8,-0.3 -1,-0.3 1,-0.2 9,-0.1 0.558 97.9 147.9 71.8 8.0 37.8 74.4 27.9 23 40 P L < - 0 0 73 -3,-1.7 7,-1.9 7,-0.2 2,-0.5 -0.313 40.3-144.0 -71.2 157.3 36.5 71.7 25.6 24 41 P T E -A 29 0A 107 5,-0.2 2,-0.5 -3,-0.1 3,-0.3 -0.941 16.9-175.2-127.5 110.2 33.1 70.2 26.1 25 42 P V E > S-A 28 0A 48 3,-1.4 3,-1.5 -2,-0.5 -6,-0.0 -0.907 73.1 -4.7-109.3 127.9 32.7 66.4 25.4 26 43 P N T 3 S- 0 0 88 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.783 128.1 -62.4 63.2 27.8 29.3 64.7 25.5 27 44 P G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -3,-0.3 -1,-0.3 0.547 118.0 107.5 75.7 7.2 27.8 68.0 26.7 28 45 P K E < S-A 25 0A 33 -3,-1.5 -3,-1.4 1,-0.1 -1,-0.3 -0.798 82.1 -90.5-114.3 157.3 30.0 67.8 29.8 29 46 P T E -Ab 24 199A 89 169,-0.5 171,-2.3 -2,-0.3 2,-0.5 -0.407 44.7-125.5 -62.0 139.9 33.1 69.8 30.9 30 47 P S - 0 0 4 -7,-1.9 2,-0.3 169,-0.2 -8,-0.3 -0.805 21.2-152.6 -95.7 126.4 36.3 68.1 29.7 31 48 P Y - 0 0 46 -2,-0.5 -11,-0.2 -11,-0.1 2,-0.1 -0.759 10.4-130.9 -96.6 142.1 39.0 67.3 32.2 32 49 P S > - 0 0 32 -2,-0.3 4,-2.4 -13,-0.2 5,-0.2 -0.343 40.1 -95.4 -73.9 168.3 42.7 67.1 31.5 33 50 P I H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.925 128.8 45.7 -47.8 -46.5 44.6 64.0 32.8 34 51 P D H > S+ 0 0 102 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.869 108.7 51.4 -72.1 -41.9 45.5 66.1 35.8 35 52 P Q H > S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.871 113.1 48.9 -61.1 -35.8 42.1 67.6 36.6 36 53 P A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.891 110.4 50.4 -69.1 -40.3 40.8 64.0 36.4 37 54 P A H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.907 109.6 49.4 -64.1 -44.2 43.6 62.8 38.8 38 55 P A H < S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 111.7 50.3 -63.3 -37.5 42.9 65.6 41.3 39 56 P Q H >< S+ 0 0 36 -4,-1.6 3,-1.3 -5,-0.2 -2,-0.2 0.909 110.5 49.1 -64.6 -43.3 39.2 64.6 41.2 40 57 P I H 3< S+ 0 0 0 -4,-2.3 140,-4.1 1,-0.3 3,-0.3 0.810 116.3 42.2 -68.4 -30.1 40.0 61.0 41.7 41 58 P T T >< S+ 0 0 0 -4,-2.0 3,-2.6 138,-0.2 -1,-0.3 0.090 78.9 123.4 -99.4 22.1 42.3 61.8 44.7 42 59 P R T < + 0 0 56 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.729 61.7 67.6 -61.2 -24.6 39.8 64.4 46.0 43 60 P E T 3 S- 0 0 80 -3,-0.3 -1,-0.3 135,-0.3 3,-0.1 0.753 95.4-146.3 -63.3 -20.7 39.5 62.6 49.4 44 61 P N < + 0 0 50 -3,-2.6 7,-1.3 1,-0.2 2,-0.4 0.926 51.8 131.3 51.7 48.9 43.1 63.8 49.7 45 62 P V E +C 50 0B 22 133,-0.5 2,-0.3 5,-0.2 -1,-0.2 -0.994 23.7 155.2-133.1 136.8 43.9 60.6 51.7 46 63 P S E > -C 49 0B 4 3,-2.3 3,-1.6 -2,-0.4 132,-0.1 -0.867 60.5 -89.4-141.2 179.3 46.8 58.1 51.4 47 64 P W T 3 S+ 0 0 48 130,-0.4 3,-0.1 -2,-0.3 131,-0.1 0.629 126.2 59.2 -66.8 -11.6 48.5 55.7 53.7 48 65 P N T 3 S- 0 0 48 1,-0.3 2,-0.3 4,-0.2 -1,-0.3 0.469 119.6 -98.2 -95.0 -3.3 50.8 58.6 54.6 49 66 P G E < -C 46 0B 30 -3,-1.6 -3,-2.3 3,-0.1 2,-0.4 -0.882 60.3 -28.7 125.8-156.8 48.1 60.8 55.8 50 67 P T E S-C 45 0B 100 -2,-0.3 -5,-0.2 1,-0.2 3,-0.1 -0.842 121.1 -0.7-104.3 139.1 46.0 63.7 54.4 51 68 P N S S+ 0 0 94 -7,-1.3 2,-0.6 -2,-0.4 -1,-0.2 0.883 89.2 143.0 50.7 41.9 47.3 66.0 51.7 52 69 P V - 0 0 42 -3,-0.4 2,-0.3 -8,-0.1 3,-0.3 -0.963 30.6-170.9-111.4 114.0 50.6 64.2 51.7 53 70 P F + 0 0 91 -2,-0.6 187,-0.2 1,-0.2 188,-0.1 -0.825 51.8 7.8-117.6 146.4 51.9 64.0 48.2 54 71 P G S S+ 0 0 50 185,-1.8 2,-0.5 -2,-0.3 187,-0.3 0.738 85.4 134.7 66.4 24.6 54.7 62.2 46.3 55 72 P K - 0 0 116 185,-1.6 -1,-0.2 -3,-0.3 -7,-0.1 -0.925 50.5-130.3-112.2 128.0 55.7 60.1 49.3 56 73 P S - 0 0 51 -2,-0.5 2,-0.3 -3,-0.1 45,-0.2 -0.117 20.0-153.3 -66.8 166.1 56.3 56.3 49.0 57 74 P A E -d 101 0C 7 43,-2.0 45,-1.8 184,-0.1 2,-0.6 -0.998 14.8-151.0-143.5 142.9 54.7 53.7 51.2 58 75 P N E -d 102 0C 119 -2,-0.3 2,-0.3 43,-0.2 45,-0.2 -0.961 33.8-176.3-109.7 111.2 55.6 50.2 52.3 59 76 P L E -d 103 0C 7 43,-3.0 45,-2.1 -2,-0.6 2,-0.3 -0.751 21.0-141.3-116.7 154.3 52.4 48.4 52.9 60 77 P T E -d 104 0C 38 -2,-0.3 54,-2.5 43,-0.2 53,-0.3 -0.797 15.5-166.7-108.3 152.6 51.2 45.0 54.2 61 78 P F E -de 105 114C 12 43,-1.8 45,-2.7 -2,-0.3 2,-0.3 -0.971 2.1-168.8-137.1 158.0 48.3 42.9 52.8 62 79 P K E - e 0 115C 33 52,-1.7 54,-2.0 -2,-0.3 2,-0.8 -0.999 24.3-137.6-150.2 137.5 46.5 39.9 54.2 63 80 P F E - e 0 116C 10 43,-0.4 54,-0.2 -2,-0.3 16,-0.1 -0.880 39.7-129.4 -92.5 106.3 44.0 37.3 53.0 64 81 P L - 0 0 23 52,-2.0 16,-0.5 -2,-0.8 3,-0.1 -0.325 23.4-170.7 -61.1 138.1 41.7 37.1 56.0 65 82 P Q S S- 0 0 116 1,-0.3 2,-0.3 43,-0.2 14,-0.2 0.551 73.1 -4.9-101.6 -14.2 41.1 33.5 57.1 66 83 P S - 0 0 92 12,-0.1 -1,-0.3 3,-0.0 2,-0.3 -0.954 65.2-152.9-165.5 163.7 38.3 34.4 59.6 67 84 P V - 0 0 49 -2,-0.3 3,-0.1 1,-0.1 10,-0.1 -0.985 21.8-147.3-143.6 157.0 36.6 37.6 60.9 68 85 P S S S- 0 0 132 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.796 90.4 -20.4 -86.5 -37.1 34.8 38.7 64.0 69 86 P S - 0 0 85 -3,-0.1 -1,-0.4 6,-0.0 6,-0.1 -0.977 61.7-116.3-159.0 162.6 32.7 41.0 61.8 70 87 P I > - 0 0 9 4,-0.6 3,-2.0 -2,-0.3 -3,-0.0 -0.900 29.6-130.2-101.7 132.9 32.7 42.7 58.4 71 88 P P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 71,-0.0 0.752 104.6 55.6 -59.1 -25.4 32.7 46.6 58.7 72 89 P S T 3 S- 0 0 36 2,-0.1 51,-0.1 71,-0.0 3,-0.1 0.634 114.3-112.3 -79.4 -17.7 29.8 47.0 56.3 73 90 P G S < S+ 0 0 30 -3,-2.0 -1,-0.0 1,-0.4 0, 0.0 0.263 73.0 136.0 97.5 -10.9 27.5 44.7 58.3 74 91 P D - 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