==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-09 3HDA . COMPND 2 MOLECULE: SECRETED PROTEASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR A.E.OBERHOLZER,M.BUMANN,T.HEGE,S.RUSSO,U.BAUMANN . 388 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 11.3 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 . 2 0.5 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 . 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 . 47 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 10.3 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+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 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 2 1 1 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 2 0 0 0 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 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 61 P N 0 0 117 0, 0.0 7,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.1 42.4 63.5 49.3 2 62 P V E +A 7 0A 30 133,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.942 360.0 157.0-129.8 149.1 43.4 60.5 51.4 3 63 P S E > -A 6 0A 4 3,-1.4 3,-1.7 -2,-0.3 132,-0.2 -0.922 58.8 -87.7-153.2 176.7 46.3 58.0 51.3 4 64 P W T 3 S+ 0 0 49 130,-0.5 3,-0.1 -2,-0.3 92,-0.1 0.640 124.6 60.3 -67.1 -12.2 48.0 55.6 53.7 5 65 P N T 3 S- 0 0 47 1,-0.4 2,-0.3 4,-0.2 -1,-0.3 0.417 120.1 -96.5 -93.9 2.2 50.4 58.5 54.5 6 66 P G E < -A 3 0A 32 -3,-1.7 -3,-1.4 3,-0.1 3,-0.5 -0.769 61.2 -31.9 118.3-165.1 47.6 60.7 55.8 7 67 P T E S+A 2 0A 103 -2,-0.3 -5,-0.2 1,-0.2 3,-0.1 -0.781 120.3 0.7 -97.7 136.9 45.4 63.4 54.3 8 68 P N S S+ 0 0 103 -7,-1.7 2,-0.5 -2,-0.4 -1,-0.2 0.845 88.5 138.6 56.6 38.0 46.8 65.8 51.7 9 69 P V - 0 0 47 -3,-0.5 2,-0.3 -8,-0.1 3,-0.2 -0.971 32.8-169.8-110.7 120.5 50.2 64.2 51.6 10 70 P F + 0 0 85 -2,-0.5 151,-0.2 1,-0.2 152,-0.2 -0.854 54.6 10.4-119.4 147.0 51.5 63.8 48.0 11 71 P G S S+ 0 0 49 149,-1.9 2,-0.6 -2,-0.3 151,-0.3 0.727 83.4 136.4 66.4 23.4 54.4 62.0 46.4 12 72 P K - 0 0 118 149,-1.6 -1,-0.2 -3,-0.2 -7,-0.1 -0.908 50.2-131.5-106.3 124.6 55.2 60.0 49.5 13 73 P S - 0 0 59 -2,-0.6 2,-0.4 -3,-0.1 45,-0.2 -0.116 20.6-153.6 -65.3 165.2 56.0 56.4 49.0 14 74 P A E -b 58 0B 7 43,-2.1 45,-1.6 148,-0.1 2,-0.6 -0.997 15.9-152.5-144.4 139.4 54.4 53.7 51.1 15 75 P N E -b 59 0B 120 -2,-0.4 2,-0.3 43,-0.2 45,-0.2 -0.968 33.0-176.4-105.8 118.0 55.3 50.2 52.2 16 76 P L E -b 60 0B 6 43,-3.3 45,-2.2 -2,-0.6 2,-0.3 -0.812 20.5-141.8-120.6 154.8 52.1 48.3 52.8 17 77 P T E -b 61 0B 38 -2,-0.3 54,-2.4 43,-0.2 2,-0.3 -0.816 15.8-167.7-109.1 154.0 51.0 44.9 54.1 18 78 P F E -bc 62 71B 13 43,-1.7 45,-2.7 -2,-0.3 2,-0.3 -0.965 1.7-168.8-139.2 157.6 48.1 42.8 52.8 19 79 P K E - c 0 72B 33 52,-1.9 54,-2.1 -2,-0.3 2,-0.9 -0.997 24.5-136.5-151.7 139.7 46.4 39.7 54.1 20 80 P F E - c 0 73B 9 43,-0.4 54,-0.1 -2,-0.3 52,-0.1 -0.851 39.4-129.2 -95.0 101.2 43.9 37.1 52.9 21 81 P L - 0 0 23 52,-1.6 16,-0.5 -2,-0.9 54,-0.2 -0.214 22.4-170.0 -54.3 135.7 41.5 36.8 55.9 22 82 P Q S S- 0 0 116 1,-0.4 2,-0.3 43,-0.2 14,-0.2 0.610 74.2 -6.2 -99.2 -20.4 41.0 33.2 57.0 23 83 P S - 0 0 90 12,-0.1 -1,-0.4 3,-0.0 2,-0.3 -0.966 63.6-153.9-162.2 166.2 38.2 34.2 59.4 24 84 P V - 0 0 48 -2,-0.3 3,-0.1 -3,-0.1 10,-0.1 -0.979 22.1-146.0-144.1 155.6 36.5 37.3 60.8 25 85 P S S S- 0 0 130 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.735 90.7 -20.9 -86.9 -30.3 34.5 38.3 63.9 26 86 P S - 0 0 84 -3,-0.1 -1,-0.4 6,-0.0 6,-0.1 -0.959 61.6-114.3-168.8 159.7 32.4 40.6 61.6 27 87 P I > - 0 0 8 4,-0.6 3,-2.2 -2,-0.3 -3,-0.0 -0.882 29.5-130.3-100.9 131.8 32.4 42.4 58.3 28 88 P P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 71,-0.0 0.700 105.3 56.9 -59.3 -21.5 32.4 46.2 58.7 29 89 P S T 3 S- 0 0 42 2,-0.1 51,-0.1 1,-0.0 3,-0.1 0.648 114.4-113.1 -80.1 -17.9 29.5 46.6 56.2 30 90 P G S < S+ 0 0 32 -3,-2.2 -1,-0.0 1,-0.4 0, 0.0 0.277 73.1 136.5 96.7 -10.8 27.2 44.3 58.2 31 91 P D - 0 0 29 48,-0.1 -4,-0.6 49,-0.1 -1,-0.4 -0.267 35.0-165.5 -61.4 160.2 27.2 41.7 55.5 32 92 P T B +H 78 0C 51 46,-2.5 46,-2.3 51,-0.2 45,-2.0 -0.654 51.5 79.4-136.9-170.8 27.6 38.1 56.6 33 93 P G - 0 0 29 44,-0.2 -1,-0.1 43,-0.2 -2,-0.0 0.942 66.7-155.7 66.8 48.4 28.4 34.6 55.4 34 94 P F - 0 0 48 42,-0.2 2,-0.4 -3,-0.1 42,-0.3 -0.239 15.4-175.8 -53.7 138.6 32.2 35.1 55.2 35 95 P V B -D 75 0B 44 40,-2.1 40,-2.3 -12,-0.0 3,-0.1 -0.982 22.6-125.8-138.5 126.7 34.2 33.0 52.8 36 96 P K - 0 0 115 -2,-0.4 -14,-0.1 -14,-0.2 38,-0.1 -0.258 40.8 -84.7 -66.2 157.7 38.0 33.1 52.6 37 97 P F - 0 0 8 -16,-0.5 -1,-0.1 36,-0.3 2,-0.1 -0.352 42.3-133.4 -60.8 139.5 39.8 33.7 49.2 38 98 P N > - 0 0 41 -3,-0.1 4,-2.4 76,-0.1 5,-0.2 -0.412 31.7 -94.6 -87.3 171.9 40.3 30.7 47.0 39 99 P A H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.842 125.0 48.5 -57.6 -39.1 43.7 29.9 45.3 40 100 P E H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 110.7 50.8 -69.5 -38.2 42.6 31.6 42.0 41 101 P Q H > S+ 0 0 0 73,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.897 109.7 52.2 -64.7 -39.0 41.4 34.7 43.8 42 102 P I H X S+ 0 0 43 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.941 110.8 46.0 -62.1 -48.4 44.7 34.9 45.7 43 103 P E H X S+ 0 0 93 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.924 115.3 46.1 -60.6 -46.2 46.8 34.7 42.5 44 104 P Q H X S+ 0 0 25 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.858 109.8 54.0 -68.8 -35.1 44.6 37.3 40.7 45 105 P A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 108.3 50.1 -64.2 -38.7 44.7 39.6 43.7 46 106 P K H X S+ 0 0 81 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.875 108.9 51.5 -68.3 -38.6 48.5 39.5 43.7 47 107 P L H X S+ 0 0 36 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.890 110.6 49.6 -62.1 -38.9 48.6 40.3 40.0 48 108 P S H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.922 110.3 49.2 -66.0 -44.7 46.3 43.3 40.7 49 109 P L H >X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 3,-1.0 0.934 109.8 53.3 -56.7 -47.2 48.5 44.5 43.6 50 110 P Q H 3X S+ 0 0 65 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.847 101.8 57.9 -57.3 -36.6 51.5 44.1 41.2 51 111 P S H 3< S+ 0 0 2 -4,-1.6 4,-0.4 1,-0.2 -1,-0.3 0.764 110.7 44.2 -70.5 -22.9 49.8 46.3 38.6 52 112 P W H XX S+ 0 0 0 -4,-1.0 4,-1.9 -3,-1.0 3,-0.8 0.876 112.5 48.7 -81.1 -46.8 49.6 49.1 41.2 53 113 P S H 3< S+ 0 0 27 -4,-2.5 5,-0.4 1,-0.2 -2,-0.2 0.756 103.5 66.4 -67.4 -21.4 53.1 48.7 42.6 54 114 P D T 3< S+ 0 0 12 -4,-1.8 -1,-0.2 -5,-0.3 114,-0.2 0.872 112.1 30.0 -60.0 -39.5 54.3 48.8 38.9 55 115 P V T <4 S+ 0 0 3 -3,-0.8 110,-1.9 -4,-0.4 2,-0.3 0.713 122.3 38.9-101.6 -23.3 53.2 52.4 38.4 56 116 P A B < S-J 164 0D 0 -4,-1.9 2,-2.2 108,-0.3 108,-0.2 -0.857 91.5 -93.0-127.7 163.1 53.5 54.0 41.9 57 117 P N S S+ 0 0 69 106,-2.2 -43,-2.1 -2,-0.3 2,-0.4 -0.483 76.5 126.9 -78.1 77.6 56.0 53.8 44.8 58 118 P L E -b 14 0B 6 -2,-2.2 2,-0.4 -5,-0.4 -43,-0.2 -0.971 40.8-162.7-130.6 141.8 54.2 51.1 46.7 59 119 P T E -b 15 0B 64 -45,-1.6 -43,-3.3 -2,-0.4 2,-0.5 -0.985 8.9-154.8-123.6 144.4 55.5 47.9 48.1 60 120 P F E -b 16 0B 35 -2,-0.4 2,-0.5 -45,-0.2 -43,-0.2 -0.973 10.5-177.3-122.3 125.3 53.2 45.1 49.2 61 121 P T E -b 17 0B 85 -45,-2.2 -43,-1.7 -2,-0.5 2,-0.2 -0.978 22.6-133.0-124.2 121.5 54.2 42.5 51.7 62 122 P E E -b 18 0B 78 -2,-0.5 2,-0.3 -45,-0.2 -43,-0.2 -0.475 23.4-170.2 -71.9 139.7 51.8 39.6 52.6 63 123 P V - 0 0 23 -45,-2.7 -43,-0.4 -2,-0.2 2,-0.2 -0.900 3.0-173.9-123.3 161.6 51.2 38.9 56.2 64 124 P T > + 0 0 90 -2,-0.3 3,-1.4 -45,-0.1 -43,-0.1 -0.674 45.5 38.1-136.1-169.9 49.4 36.0 57.9 65 125 P G T 3 S- 0 0 50 1,-0.2 -43,-0.2 -2,-0.2 -2,-0.1 -0.334 120.3 -29.8 62.0-138.7 48.3 34.7 61.3 66 126 P N T 3 S+ 0 0 167 2,-0.0 -1,-0.2 -2,-0.0 2,-0.1 0.288 98.1 126.2 -99.8 9.6 47.0 37.4 63.6 67 127 P K < - 0 0 137 -3,-1.4 2,-0.1 1,-0.1 -4,-0.1 -0.431 62.2-122.0 -64.3 137.8 49.2 40.2 62.2 68 128 P S - 0 0 111 -2,-0.1 2,-0.3 4,-0.0 3,-0.1 -0.456 29.4-157.4 -76.6 158.6 47.1 43.3 61.2 69 129 P A - 0 0 22 1,-0.1 -51,-0.1 -2,-0.1 3,-0.1 -0.991 25.6-133.9-141.0 147.9 47.4 44.4 57.6 70 130 P N S S+ 0 0 43 -2,-0.3 2,-0.5 -53,-0.3 -52,-0.2 0.959 98.8 30.9 -59.4 -53.7 46.8 47.6 55.7 71 131 P I E S-c 18 0B 0 -54,-2.4 -52,-1.9 -3,-0.1 2,-0.3 -0.923 74.1-174.6-114.9 129.3 44.9 45.9 53.0 72 132 P T E -ce 19 103B 18 30,-1.2 32,-1.8 -2,-0.5 2,-0.4 -0.896 10.8-152.9-123.2 157.0 42.7 42.8 53.5 73 133 P F E +ce 20 104B 0 -54,-2.1 -52,-1.6 -2,-0.3 -36,-0.3 -0.987 26.4 143.1-126.7 135.1 40.8 40.5 51.2 74 134 P G E - 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