==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-NOV-10 2XXL . COMPND 2 MOLECULE: GRAM-POSITIVE SPECIFIC SERINE PROTEASE, ISOFORM B . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR C.KELLENBERGER,P.LEONE,L.COQUET,T.JOUENNE,J.M.REICHHART,A.RO . 708 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34213.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 1 0.1 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 . 55 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 0 0 2 2 2 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 5 4 12 6 4 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 . 3 0 2 0 0 2 0 2 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 D > 0 0 121 0, 0.0 3,-2.2 0, 0.0 15,-0.3 0.000 360.0 360.0 360.0 164.0 6.1 -1.3 23.5 2 28 A Y T 3 + 0 0 31 1,-0.3 15,-0.2 13,-0.1 52,-0.0 -0.225 360.0 4.9 -51.9 132.8 5.8 2.5 23.5 3 29 A A T 3 S+ 0 0 21 13,-3.2 -1,-0.3 1,-0.2 14,-0.1 0.393 90.2 152.7 67.1 8.9 2.4 3.6 24.9 4 30 A D < - 0 0 60 -3,-2.2 12,-2.2 12,-0.2 -1,-0.2 -0.268 55.1 -96.7 -62.8 147.6 1.3 0.0 25.9 5 31 A D E +A 15 0A 146 10,-0.2 2,-0.3 57,-0.1 10,-0.3 -0.371 57.7 162.5 -63.1 143.4 -1.2 -0.2 28.8 6 32 A a E -A 14 0A 25 8,-2.1 8,-2.5 57,-0.1 2,-0.4 -0.956 38.0-117.6-154.0 172.2 0.5 -1.0 32.1 7 33 A T E -A 13 0A 81 -2,-0.3 6,-0.2 6,-0.2 55,-0.1 -0.980 30.2-129.0-120.2 129.7 0.1 -1.0 35.9 8 34 A T > - 0 0 6 4,-2.8 3,-2.3 -2,-0.4 55,-0.1 -0.343 31.0-104.7 -68.5 161.8 2.4 1.2 38.0 9 35 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 38,-0.0 0.807 125.9 52.3 -57.4 -27.6 4.2 -0.4 41.0 10 36 A D T 3 S- 0 0 100 2,-0.1 -2,-0.1 36,-0.0 36,-0.0 0.113 126.1-102.1 -94.2 17.5 1.6 1.4 43.2 11 37 A G S < S+ 0 0 43 -3,-2.3 2,-0.3 1,-0.2 -4,-0.0 0.597 71.4 140.2 77.1 20.6 -1.3 0.0 41.2 12 38 A D - 0 0 77 50,-0.1 -4,-2.8 1,-0.0 2,-0.2 -0.740 52.5-120.1 -93.1 142.2 -2.4 2.9 38.9 13 39 A Q E +A 7 0A 124 -2,-0.3 52,-2.2 -6,-0.2 2,-0.2 -0.572 55.4 126.2 -77.0 140.4 -3.5 2.1 35.4 14 40 A G E -AB 6 64A 3 -8,-2.5 -8,-2.1 50,-0.3 2,-0.3 -0.828 49.7 -83.0-163.2-156.2 -1.4 3.9 32.8 15 41 A Q E -AB 5 63A 63 48,-2.0 48,-2.5 -10,-0.3 2,-0.9 -0.954 38.4-102.7-136.7 152.3 0.8 3.7 29.7 16 42 A b E + B 0 62A 2 -12,-2.2 -13,-3.2 -2,-0.3 46,-0.2 -0.637 59.5 161.0 -75.4 101.8 4.5 3.0 29.0 17 43 A M E - B 0 61A 3 44,-2.6 44,-3.1 -2,-0.9 35,-0.1 -0.884 45.4 -99.0-126.1 156.9 5.9 6.5 28.4 18 44 A P E > - B 0 60A 6 0, 0.0 3,-1.9 0, 0.0 42,-0.2 -0.353 44.2-110.5 -64.5 157.7 9.3 8.3 28.3 19 45 A F G > S+ 0 0 63 40,-0.7 3,-1.8 1,-0.3 7,-0.6 0.850 118.4 62.7 -59.5 -34.5 10.0 10.2 31.6 20 46 A S G 3 S+ 0 0 2 1,-0.3 52,-2.3 5,-0.1 -1,-0.3 0.544 101.6 53.2 -66.4 -11.6 9.6 13.5 29.8 21 47 A S G < S+ 0 0 0 -3,-1.9 48,-2.1 50,-0.2 2,-0.5 0.077 95.1 78.8-109.1 18.7 5.9 12.5 29.0 22 48 A c B <> -D 68 0B 0 -3,-1.8 4,-2.7 46,-0.2 5,-0.3 -0.925 63.4-160.9-130.4 105.9 5.1 11.8 32.6 23 49 A R H > S+ 0 0 100 44,-2.9 4,-2.4 -2,-0.5 -1,-0.2 0.891 90.5 47.4 -50.5 -48.8 4.4 14.9 34.7 24 50 A T H > S+ 0 0 39 2,-0.2 4,-2.0 43,-0.2 -1,-0.2 0.887 114.7 43.6 -64.0 -43.4 5.0 13.1 38.1 25 51 A I H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.948 114.9 49.6 -67.7 -48.5 8.3 11.3 37.2 26 52 A E H X S+ 0 0 36 -4,-2.7 4,-2.8 -7,-0.6 5,-0.2 0.897 109.5 52.3 -57.3 -42.3 9.6 14.5 35.5 27 53 A E H X S+ 0 0 80 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.937 111.4 46.7 -58.5 -48.4 8.7 16.6 38.6 28 54 A R H X S+ 0 0 96 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 115.2 45.3 -61.9 -43.6 10.5 14.2 41.0 29 55 A L H X S+ 0 0 52 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.904 116.3 46.3 -65.7 -41.6 13.6 14.1 38.7 30 56 A T H X S+ 0 0 41 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.889 110.1 53.1 -67.5 -43.5 13.6 17.9 38.3 31 57 A E H X S+ 0 0 116 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.2 0.903 111.2 45.8 -61.3 -42.3 13.1 18.6 42.0 32 58 A A H <>S+ 0 0 15 -4,-1.9 5,-2.4 -5,-0.2 3,-0.5 0.962 114.1 48.9 -66.1 -48.3 16.1 16.5 42.9 33 59 A Q H ><5S+ 0 0 143 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.900 109.3 52.5 -54.3 -46.7 18.3 18.0 40.2 34 60 A K H 3<5S+ 0 0 171 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.821 108.5 50.6 -60.6 -32.3 17.3 21.6 41.3 35 61 A A T 3<5S- 0 0 73 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.380 118.9-114.0 -84.3 1.0 18.3 20.8 44.9 36 62 A G T < 5S+ 0 0 62 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.835 81.5 105.8 66.0 37.2 21.7 19.5 43.5 37 63 A Q S - 0 0 67 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.235 37.5-110.8 -62.5 157.2 16.0 9.1 47.1 41 67 A A H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.868 117.9 53.9 -53.8 -43.2 16.9 5.4 47.0 42 68 A D H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 110.7 46.4 -65.3 -34.0 13.3 4.3 47.5 43 69 A Y H > S+ 0 0 18 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.882 109.9 52.7 -73.3 -38.9 12.2 6.5 44.5 44 70 A A H X S+ 0 0 47 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.916 110.8 49.5 -60.0 -39.8 15.1 5.1 42.4 45 71 A S H X S+ 0 0 54 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.883 108.7 51.9 -64.4 -41.5 13.8 1.6 43.4 46 72 A Y H X S+ 0 0 49 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.904 108.9 50.5 -61.2 -44.8 10.2 2.6 42.4 47 73 A L H X S+ 0 0 17 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.873 107.4 53.4 -64.1 -36.5 11.4 3.8 38.9 48 74 A Q H < S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.898 112.6 44.5 -63.1 -40.1 13.3 0.5 38.4 49 75 A K H < S+ 0 0 133 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.848 113.6 50.7 -70.9 -34.5 9.9 -1.3 39.1 50 76 A A H < S+ 0 0 4 -4,-2.2 12,-2.7 -5,-0.1 -2,-0.2 0.640 82.5 117.2 -76.3 -19.8 8.0 1.2 36.9 51 77 A L E < +C 61 0A 45 -4,-1.3 10,-0.3 10,-0.2 3,-0.1 -0.278 36.7 176.6 -53.7 125.1 10.5 0.6 34.0 52 78 A b E - 0 0 44 8,-3.0 2,-0.2 1,-0.4 9,-0.2 0.276 53.0 -65.5-120.5 13.6 8.6 -0.9 31.0 53 79 A G E -C 60 0A 26 7,-0.7 7,-2.8 2,-0.0 2,-0.5 -0.707 45.2 -86.1 131.5 176.4 11.4 -1.1 28.4 54 80 A E E -C 59 0A 118 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.992 39.8-177.5-124.9 114.5 13.8 0.9 26.2 55 81 A F E > S-C 58 0A 52 3,-2.3 3,-1.8 -2,-0.5 -2,-0.0 -0.982 71.0 -11.0-121.5 125.4 12.4 2.0 22.8 56 82 A N T 3 S- 0 0 94 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.885 130.8 -55.2 52.2 42.4 14.5 3.9 20.2 57 83 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.504 114.6 116.3 72.5 10.3 17.1 4.3 22.9 58 84 A V E < - C 0 55A 44 -3,-1.8 -3,-2.3 -40,-0.0 2,-0.2 -0.935 64.9-127.3-114.0 129.2 14.7 6.0 25.4 59 85 A R E - C 0 54A 133 -2,-0.4 -40,-0.7 -5,-0.2 2,-0.4 -0.522 27.3-156.2 -71.0 135.5 13.8 4.4 28.8 60 86 A H E -BC 18 53A 7 -7,-2.8 -8,-3.0 -2,-0.2 -7,-0.7 -0.936 8.7-167.8-117.6 144.7 10.1 4.2 29.3 61 87 A F E -BC 17 51A 23 -44,-3.1 -44,-2.6 -2,-0.4 2,-0.4 -0.934 34.5 -98.2-129.8 150.7 8.2 4.0 32.6 62 88 A a E -B 16 0A 4 -12,-2.7 -46,-0.2 -2,-0.3 -50,-0.1 -0.565 45.2-168.0 -70.9 120.6 4.6 3.2 33.5 63 89 A c E -B 15 0A 0 -48,-2.5 -48,-2.0 -2,-0.4 5,-0.1 -0.960 27.5-108.5-112.1 130.3 2.9 6.5 33.9 64 90 A P E >> -B 14 0A 14 0, 0.0 3,-2.3 0, 0.0 4,-0.6 -0.249 34.7-116.7 -55.9 134.7 -0.6 6.9 35.5 65 91 A S G >4 S+ 0 0 69 -52,-2.2 3,-1.2 1,-0.3 -51,-0.1 0.835 113.4 50.0 -41.3 -48.9 -3.1 7.9 32.7 66 92 A A G 34 S+ 0 0 92 1,-0.2 -1,-0.3 3,-0.0 -52,-0.1 0.595 108.2 55.7 -69.9 -12.7 -4.0 11.3 34.1 67 93 A N G <4 S+ 0 0 30 -3,-2.3 -44,-2.9 2,-0.1 -1,-0.2 0.472 77.3 115.0 -99.1 -7.3 -0.2 12.2 34.5 68 94 A I B << +D 22 0B 38 -3,-1.2 2,-0.3 -4,-0.6 -46,-0.2 -0.448 43.5 177.5 -65.4 133.5 0.7 11.6 30.8 69 95 A Q - 0 0 47 -48,-2.1 3,-0.1 -2,-0.2 -2,-0.1 -0.944 39.1 -85.0-134.7 158.4 1.8 14.9 29.2 70 96 A H S S- 0 0 32 -2,-0.3 270,-0.1 150,-0.2 2,-0.1 -0.321 71.0 -78.0 -60.0 144.3 3.1 15.8 25.7 71 97 A N >> - 0 0 3 269,-0.3 4,-2.7 1,-0.2 3,-1.4 -0.296 38.7-149.0 -52.2 114.1 6.9 15.3 25.6 72 98 A S H 3> S+ 0 0 33 -52,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.773 94.4 65.2 -59.1 -25.0 8.5 18.2 27.5 73 99 A K H 34 S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.759 115.1 30.0 -67.5 -24.9 11.7 18.0 25.2 74 100 A V H X> S+ 0 0 0 -3,-1.4 4,-2.0 2,-0.1 3,-1.0 0.756 113.4 61.2-103.2 -35.8 9.5 18.9 22.2 75 101 A M H 3X S+ 0 0 25 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.836 95.3 64.8 -62.6 -28.4 6.9 21.1 24.1 76 102 A S H 3< S+ 0 0 76 -4,-1.7 -1,-0.2 -5,-0.2 4,-0.2 0.856 107.7 41.8 -63.0 -31.0 9.8 23.4 25.0 77 103 A L H X4 S+ 0 0 41 -3,-1.0 3,-1.4 2,-0.2 -2,-0.2 0.957 115.3 47.5 -74.7 -56.0 10.2 24.1 21.3 78 104 A F H 3< S+ 0 0 5 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.770 117.3 43.8 -57.5 -30.7 6.4 24.4 20.5 79 105 A K T 3< S+ 0 0 131 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.417 83.4 122.6 -94.9 -2.6 5.8 26.8 23.5 80 106 A D X - 0 0 77 -3,-1.4 3,-2.0 -4,-0.2 -3,-0.1 -0.409 66.4-134.5 -62.2 131.1 8.9 28.9 22.9 81 107 A E T 3 S+ 0 0 164 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.754 107.4 50.7 -59.4 -22.2 7.9 32.6 22.5 82 108 A N T 3 S+ 0 0 130 -5,-0.1 2,-1.1 2,-0.1 -1,-0.3 0.386 77.9 110.4 -96.0 0.4 10.2 32.7 19.4 83 109 A F < - 0 0 15 -3,-2.0 2,-1.8 -6,-0.2 -6,-0.0 -0.666 59.1-157.1 -79.0 99.7 8.8 29.6 17.7 84 110 A D + 0 0 61 -2,-1.1 3,-0.3 2,-0.0 2,-0.3 -0.498 27.7 159.8 -83.6 70.7 7.1 31.3 14.8 85 111 A d + 0 0 3 -2,-1.8 131,-0.3 1,-0.2 132,-0.1 -0.707 57.3 3.4 -94.7 151.4 4.4 28.7 13.8 86 112 A G S S+ 0 0 0 129,-2.6 224,-2.7 -2,-0.3 2,-0.3 0.640 77.2 169.3 55.3 26.3 1.2 29.2 11.8 87 113 A N + 0 0 55 128,-0.4 2,-0.3 -3,-0.3 -1,-0.2 -0.531 10.1 144.0 -70.7 125.8 1.8 32.9 11.1 88 114 A F + 0 0 44 220,-0.4 16,-0.1 -2,-0.3 15,-0.1 -0.981 25.0 159.8-159.4 152.4 -0.6 34.3 8.4 89 115 A L + 0 0 169 -2,-0.3 2,-0.1 14,-0.1 -1,-0.1 0.873 46.4 166.0-101.3 -60.3 -2.5 37.5 7.5 90 116 A S - 0 0 26 -3,-0.1 2,-0.3 2,-0.1 14,-0.0 -0.723 17.9 -17.6-127.8 -49.0 -2.8 36.7 4.6 91 117 A Q - 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