==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-11 3T41 . COMPND 2 MOLECULE: EPIDERMIN LEADER PEPTIDE PROCESSING SERINE PROTEA . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR G.MINASOV,M.KUHN,J.RUAN,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J . 843 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 75 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 7 0 3 1 1 0 2 4 0 4 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 0 8 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 0 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 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 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 29 A E 0 0 201 0, 0.0 41,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.2 -36.8 1.9 -6.0 2 30 A E - 0 0 89 39,-0.2 2,-0.3 40,-0.1 39,-0.2 -0.751 360.0-166.4-101.0 144.6 -36.8 -1.3 -8.0 3 31 A L E -A 40 0A 75 37,-2.3 37,-2.2 -2,-0.3 2,-0.5 -0.791 28.0-104.0-121.9 164.3 -34.0 -2.8 -10.0 4 32 A Y E -A 39 0A 36 -2,-0.3 57,-2.7 35,-0.2 2,-0.4 -0.824 38.7-170.3 -94.1 124.1 -33.8 -5.5 -12.6 5 33 A Y E -AB 38 60A 3 33,-2.7 33,-2.7 -2,-0.5 2,-0.5 -0.931 18.5-138.5-119.5 140.7 -32.3 -8.8 -11.3 6 34 A S E -AB 37 59A 0 53,-3.3 53,-2.1 -2,-0.4 2,-0.4 -0.829 27.0-168.5 -95.9 129.4 -31.2 -11.9 -13.1 7 35 A V E -AB 36 58A 0 29,-3.3 29,-2.9 -2,-0.5 2,-0.6 -0.978 19.3-160.7-130.3 129.7 -32.1 -15.1 -11.3 8 36 A E E -AB 35 57A 7 49,-2.5 48,-2.6 -2,-0.4 49,-1.4 -0.938 21.9-169.8-106.5 114.2 -31.2 -18.7 -11.8 9 37 A Y E - B 0 55A 4 25,-1.5 46,-0.2 -2,-0.6 3,-0.1 -0.502 22.5-137.0 -98.7 169.8 -33.7 -21.0 -10.1 10 38 A K S S+ 0 0 101 44,-1.9 2,-0.3 1,-0.3 45,-0.1 0.748 80.8 22.0 -98.9 -28.1 -33.5 -24.8 -9.5 11 39 A N > - 0 0 72 43,-0.4 4,-2.4 1,-0.1 -1,-0.3 -0.992 57.7-142.6-147.7 134.7 -36.9 -26.1 -10.3 12 40 A T H > S+ 0 0 56 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.947 104.8 46.8 -58.0 -52.1 -39.8 -24.8 -12.5 13 41 A A H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 117.3 41.2 -57.6 -49.2 -42.5 -26.1 -10.0 14 42 A T H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.816 114.9 51.6 -72.6 -31.9 -40.8 -24.7 -6.9 15 43 A F H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 110.2 49.4 -69.3 -42.5 -39.8 -21.5 -8.5 16 44 A N H X S+ 0 0 61 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.902 110.6 50.2 -62.5 -40.8 -43.4 -21.0 -9.7 17 45 A K H X S+ 0 0 165 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.875 111.2 49.1 -65.8 -34.6 -44.7 -21.7 -6.2 18 46 A L H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.903 106.5 56.2 -70.6 -39.7 -42.3 -19.2 -4.8 19 47 A V H X>S+ 0 0 24 -4,-2.5 5,-1.5 1,-0.2 4,-1.0 0.908 109.9 45.9 -57.8 -44.1 -43.3 -16.5 -7.4 20 48 A K H <5S+ 0 0 156 -4,-1.9 3,-0.3 3,-0.2 -1,-0.2 0.924 110.9 53.3 -62.6 -47.1 -47.0 -16.9 -6.2 21 49 A K H <5S+ 0 0 150 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 122.1 27.1 -56.5 -48.0 -46.0 -16.7 -2.5 22 50 A K H <5S- 0 0 67 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.427 101.7-124.3 -99.3 1.2 -44.0 -13.5 -2.7 23 51 A S T <5 - 0 0 104 -4,-1.0 2,-0.3 -3,-0.3 -3,-0.2 0.950 38.7-167.3 53.8 52.3 -45.8 -11.9 -5.7 24 52 A L < - 0 0 21 -5,-1.5 2,-1.4 -6,-0.2 -1,-0.2 -0.549 21.6-129.2 -73.8 133.4 -42.5 -11.6 -7.6 25 53 A N E -C 39 0A 84 14,-0.6 14,-2.5 -2,-0.3 2,-0.6 -0.674 26.6-166.4 -86.5 87.7 -42.7 -9.4 -10.7 26 54 A V E +C 38 0A 47 -2,-1.4 12,-0.3 12,-0.2 3,-0.1 -0.681 11.9 178.7 -78.5 116.3 -41.1 -11.7 -13.2 27 55 A V E + 0 0 40 10,-2.9 2,-0.3 -2,-0.6 11,-0.2 0.464 67.2 10.0 -98.9 -5.4 -40.3 -9.6 -16.3 28 56 A Y E -C 37 0A 18 9,-1.1 9,-2.6 105,-0.1 2,-0.3 -0.935 64.2-171.4-167.5 149.0 -38.7 -12.4 -18.5 29 57 A N E -C 36 0A 45 -2,-0.3 7,-0.2 7,-0.3 9,-0.0 -0.997 15.8-171.1-150.5 145.2 -38.3 -16.1 -18.2 30 58 A I E > > -C 35 0A 1 5,-2.8 5,-1.6 -2,-0.3 3,-1.3 -0.794 8.8-174.7-136.4 90.5 -36.4 -18.9 -20.0 31 59 A P G > 5S+ 0 0 57 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.854 81.0 60.3 -57.7 -39.0 -37.7 -22.2 -18.7 32 60 A E G 3 5S+ 0 0 80 1,-0.3 166,-0.0 2,-0.1 -2,-0.0 0.763 114.7 36.2 -60.9 -25.7 -35.2 -24.3 -20.7 33 61 A L G < 5S- 0 0 1 -3,-1.3 -1,-0.3 2,-0.2 3,-0.1 0.305 105.0-124.3-109.5 6.0 -32.4 -22.6 -18.8 34 62 A H T < 5 + 0 0 61 -3,-1.3 -25,-1.5 -4,-0.4 2,-0.4 0.918 69.3 130.0 48.6 48.3 -34.1 -22.2 -15.4 35 63 A V E < +AC 8 30A 0 -5,-1.6 -5,-2.8 -27,-0.2 2,-0.3 -0.996 29.6 168.6-135.1 140.2 -33.4 -18.4 -15.6 36 64 A A E -AC 7 29A 1 -29,-2.9 -29,-3.3 -2,-0.4 2,-0.5 -0.932 28.7-128.7-143.4 162.8 -35.7 -15.5 -15.1 37 65 A Q E -AC 6 28A 5 -9,-2.6 -10,-2.9 -2,-0.3 -9,-1.1 -0.983 26.6-169.7-117.6 127.0 -35.5 -11.7 -14.7 38 66 A I E -AC 5 26A 0 -33,-2.7 -33,-2.7 -2,-0.5 2,-0.7 -0.950 18.1-142.5-122.4 136.9 -37.3 -10.2 -11.7 39 67 A K E +AC 4 25A 70 -14,-2.5 -14,-0.6 -2,-0.4 2,-0.3 -0.874 48.0 129.3 -97.2 116.3 -38.0 -6.5 -10.9 40 68 A M E -A 3 0A 9 -37,-2.2 -37,-2.3 -2,-0.7 -2,-0.0 -0.984 59.1 -80.7-160.5 165.5 -37.6 -6.0 -7.1 41 69 A T > - 0 0 37 -2,-0.3 4,-1.9 -39,-0.2 -39,-0.2 -0.306 43.4-113.5 -69.1 156.6 -36.0 -3.8 -4.5 42 70 A K H > S+ 0 0 112 -41,-0.5 4,-2.1 1,-0.2 5,-0.1 0.835 117.8 55.2 -60.8 -32.4 -32.4 -4.6 -3.5 43 71 A M H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 107.6 46.9 -69.1 -42.8 -33.6 -5.7 -0.1 44 72 A H H > S+ 0 0 103 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.827 109.0 57.1 -68.0 -29.3 -36.1 -8.2 -1.5 45 73 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.953 107.6 46.8 -64.1 -49.2 -33.3 -9.5 -3.8 46 74 A N H X S+ 0 0 67 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.935 114.5 47.6 -55.8 -49.2 -31.1 -10.2 -0.8 47 75 A A H >< S+ 0 0 36 -4,-2.2 3,-2.2 1,-0.2 4,-0.4 0.942 107.1 55.2 -57.7 -50.3 -34.0 -11.9 1.0 48 76 A L H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.829 99.8 64.2 -53.0 -33.4 -34.9 -14.0 -2.1 49 77 A A H 3< S+ 0 0 4 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.715 87.5 69.0 -64.0 -24.4 -31.2 -15.2 -2.0 50 78 A N T << S+ 0 0 122 -3,-2.2 2,-1.9 -4,-0.5 -1,-0.2 0.647 74.5 90.1 -70.7 -16.0 -31.8 -17.0 1.3 51 79 A Y X> + 0 0 72 -3,-1.4 4,-2.3 -4,-0.4 3,-0.8 -0.567 51.2 167.7 -81.8 76.8 -34.1 -19.6 -0.3 52 80 A K T 34 + 0 0 95 -2,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.756 68.4 63.1 -63.4 -27.5 -31.2 -22.0 -1.1 53 81 A N T 34 S+ 0 0 143 -3,-0.2 -1,-0.2 1,-0.2 -39,-0.1 0.823 119.9 19.5 -68.2 -33.6 -33.7 -24.7 -1.9 54 82 A D T <4 S+ 0 0 33 -3,-0.8 -44,-1.9 1,-0.1 2,-0.5 0.582 117.9 64.7-112.7 -14.9 -35.2 -22.9 -4.9 55 83 A I E < +B 9 0A 1 -4,-2.3 -46,-0.2 -46,-0.2 -1,-0.1 -0.954 43.1 173.6-120.2 125.7 -32.6 -20.3 -5.9 56 84 A K E - 0 0 52 -48,-2.6 2,-0.3 -2,-0.5 -47,-0.2 0.920 69.6 -6.0 -90.3 -55.5 -29.1 -20.9 -7.2 57 85 A Y E -B 8 0A 47 -49,-1.4 -49,-2.5 2,-0.0 2,-0.3 -0.976 52.2-170.5-143.1 155.7 -27.8 -17.4 -8.0 58 86 A I E +Bd 7 229A 0 170,-2.6 172,-2.7 -2,-0.3 2,-0.3 -0.985 13.6 161.5-146.2 132.0 -28.9 -13.8 -8.2 59 87 A N E -Bd 6 230A 0 -53,-2.1 -53,-3.3 -2,-0.3 172,-0.1 -0.992 46.0 -95.7-148.9 148.9 -27.2 -10.7 -9.6 60 88 A A E -B 5 0A 49 170,-0.5 2,-0.3 -2,-0.3 -55,-0.3 -0.433 53.0-104.5 -59.2 136.1 -28.2 -7.3 -10.8 61 89 A T - 0 0 4 -57,-2.7 -57,-0.2 1,-0.1 -1,-0.1 -0.532 43.0-106.6 -66.9 124.8 -28.8 -7.4 -14.5 62 90 A a - 0 0 8 -2,-0.3 3,-0.3 1,-0.1 4,-0.2 -0.266 33.6-172.3 -57.6 129.0 -25.7 -5.6 -16.1 63 91 A S S S+ 0 0 64 1,-0.2 2,-0.6 2,-0.1 3,-0.4 0.939 81.2 32.0 -85.1 -57.0 -26.5 -2.2 -17.5 64 92 A T S S+ 0 0 98 1,-0.2 -1,-0.2 211,-0.1 -2,-0.1 -0.412 91.1 98.8-102.1 54.8 -23.4 -1.2 -19.4 65 93 A a + 0 0 5 -2,-0.6 153,-2.0 -3,-0.3 2,-0.2 0.773 58.7 81.2-107.3 -37.8 -22.2 -4.7 -20.5 66 94 A I B S-E 217 0B 29 -3,-0.4 2,-0.2 151,-0.2 151,-0.2 -0.516 77.9-125.5 -76.7 135.4 -23.4 -4.9 -24.2 67 95 A T - 0 0 49 149,-1.6 149,-0.2 -2,-0.2 2,-0.2 -0.572 30.3-107.1 -79.5 142.1 -21.2 -3.2 -26.8 68 96 A S - 0 0 81 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.452 30.4-130.6 -72.4 140.7 -22.9 -0.7 -29.1 69 97 A E - 0 0 30 -2,-0.2 2,-0.5 146,-0.0 -1,-0.1 -0.296 15.1-124.8 -84.1 170.7 -23.6 -1.7 -32.8 70 98 A K + 0 0 101 1,-0.1 290,-0.1 -2,-0.1 -1,-0.0 -0.926 48.0 139.3-129.3 109.4 -22.7 0.4 -35.8 71 99 A T + 0 0 38 -2,-0.5 -1,-0.1 288,-0.1 2,-0.1 0.231 26.9 142.2-126.5 7.1 -25.3 1.4 -38.4 72 100 A I - 0 0 94 1,-0.1 2,-1.3 0, 0.0 -2,-0.0 -0.326 48.1-138.9 -58.2 124.1 -24.3 5.0 -39.0 73 101 A D 0 0 84 1,-0.1 -1,-0.1 -2,-0.1 286,-0.1 -0.702 360.0 360.0 -91.1 86.1 -24.7 5.9 -42.7 74 102 A R 0 0 78 -2,-1.3 -1,-0.1 284,-0.3 285,-0.1 0.775 360.0 360.0 -91.7 360.0 -21.6 7.9 -43.4 75 ! 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 76 106 A E 0 0 28 0, 0.0 280,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 158.0 -24.9 5.1 -49.7 77 107 A S + 0 0 119 2,-0.1 2,-0.1 278,-0.1 279,-0.1 0.874 360.0 68.7 -44.3 -67.6 -25.9 6.2 -53.2 78 108 A L S S- 0 0 109 1,-0.1 2,-0.7 278,-0.0 278,-0.0 -0.396 71.6-145.7 -66.4 134.6 -23.4 4.6 -55.6 79 109 A F + 0 0 56 -2,-0.1 -1,-0.1 269,-0.0 2,-0.1 -0.884 25.7 175.6-105.4 104.5 -23.5 0.8 -55.9 80 110 A S - 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0 0 59 -2,-0.3 3,-1.9 38,-0.2 6,-0.2 -0.733 36.6-167.0 -83.0 93.6 -36.6 -5.5 -43.4 115 145 A K T 3 S+ 0 0 77 -2,-1.5 9,-0.2 1,-0.3 -1,-0.2 0.674 79.5 50.3 -61.0 -22.2 -38.5 -8.5 -44.6 116 146 A N T 3 S+ 0 0 114 -3,-0.1 -1,-0.3 4,-0.1 2,-0.1 0.210 72.1 136.2-103.1 15.5 -39.6 -7.0 -47.8 117 147 A H X> - 0 0 0 -3,-1.9 4,-2.3 1,-0.2 3,-1.6 -0.440 65.2-122.4 -58.5 132.7 -36.1 -5.8 -49.0 118 148 A D T 34 S+ 0 0 111 236,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.823 111.5 44.8 -48.7 -38.8 -36.0 -6.8 -52.7 119 149 A D T 34 S+ 0 0 9 1,-0.1 49,-1.9 235,-0.1 -1,-0.3 0.633 121.3 37.4 -82.6 -14.7 -32.8 -8.8 -52.1 120 150 A L T <> S+ 0 0 0 -3,-1.6 4,-1.3 47,-0.2 3,-0.3 0.608 90.3 85.9-111.0 -17.3 -34.1 -10.5 -48.9 121 151 A K T < S+ 0 0 121 -4,-2.3 3,-0.3 1,-0.2 -3,-0.1 0.849 87.4 51.1 -59.9 -41.8 -37.8 -11.2 -49.4 122 152 A N T 4 S+ 0 0 115 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.882 116.8 41.8 -64.5 -35.4 -37.6 -14.6 -51.2 123 153 A N T 4 S+ 0 0 3 -3,-0.3 57,-2.5 43,-0.2 -1,-0.2 0.595 86.6 110.8 -89.3 -12.9 -35.2 -16.0 -48.4 124 154 A F B < -i 180 0C 33 -4,-1.3 2,-0.4 -3,-0.3 57,-0.2 -0.439 60.4-142.2 -64.8 130.3 -37.0 -14.5 -45.4 125 155 A S > - 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