==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-03 1OM6 . COMPND 2 MOLECULE: SERRALYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. 'TAC II 18'; . AUTHOR S.RAVAUD,P.GOUET,R.HASER,N.AGHAJARI . 453 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 8.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 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 . 39 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 10 0 3 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 . 5 3 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 1 0 0 1 1 0 0 0 1 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 3 A G 0 0 82 0, 0.0 2,-0.3 0, 0.0 399,-0.1 0.000 360.0 360.0 360.0-163.8 -24.7 55.3 -1.9 2 4 A T - 0 0 47 1,-0.1 393,-0.1 396,-0.1 453,-0.1 -0.763 360.0 -87.5-125.1 172.3 -22.5 54.7 1.1 3 5 A S > - 0 0 21 -2,-0.3 4,-1.8 1,-0.1 -1,-0.1 -0.185 35.9-113.1 -71.6 172.7 -23.1 54.4 4.9 4 6 A S H > S+ 0 0 90 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.846 117.2 61.4 -73.3 -35.9 -23.2 57.5 7.1 5 7 A A H > S+ 0 0 14 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 107.4 42.2 -56.7 -49.4 -20.0 56.1 8.8 6 8 A F H > S+ 0 0 31 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.936 112.6 53.7 -64.5 -44.1 -18.1 56.3 5.5 7 9 A T H X S+ 0 0 72 -4,-1.8 4,-3.3 1,-0.2 5,-0.2 0.896 107.1 52.2 -57.0 -39.5 -19.6 59.7 4.7 8 10 A Q H X S+ 0 0 90 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.878 112.2 45.8 -64.0 -38.7 -18.4 61.0 8.0 9 11 A I H X S+ 0 0 2 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.967 115.6 45.2 -67.1 -52.3 -14.9 59.7 7.3 10 12 A D H X S+ 0 0 68 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.923 113.1 51.2 -57.4 -46.3 -14.9 61.1 3.8 11 13 A N H X S+ 0 0 96 -4,-3.3 4,-1.0 -5,-0.2 3,-0.3 0.927 113.3 44.9 -58.7 -46.4 -16.3 64.5 5.0 12 14 A F H >X S+ 0 0 4 -4,-2.2 3,-0.6 -5,-0.2 4,-0.5 0.911 106.9 57.2 -67.6 -39.1 -13.7 64.8 7.7 13 15 A S H 3< S+ 0 0 34 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.816 119.6 33.8 -58.6 -29.8 -10.9 63.8 5.4 14 16 A H H >< S+ 0 0 96 -4,-1.5 3,-1.7 -3,-0.3 -1,-0.3 0.454 89.4 100.9-103.9 -4.1 -11.9 66.7 3.2 15 17 A F H << S+ 0 0 121 -4,-1.0 -2,-0.1 -3,-0.6 -1,-0.1 0.811 92.8 31.5 -53.5 -37.1 -13.1 69.1 5.8 16 18 A Y T 3< S+ 0 0 28 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.222 83.3 150.3-109.1 18.0 -10.1 71.3 5.8 17 19 A D < - 0 0 85 -3,-1.7 2,-0.3 1,-0.1 -3,-0.1 -0.148 29.6-156.2 -51.3 142.6 -9.0 70.8 2.1 18 20 A R + 0 0 42 10,-0.1 12,-0.2 2,-0.0 13,-0.1 -0.919 37.5 39.6-127.6 151.9 -7.2 73.9 0.8 19 21 A G S S+ 0 0 11 -2,-0.3 10,-0.2 2,-0.2 3,-0.1 0.114 83.1 45.8 95.8 149.3 -6.5 75.4 -2.6 20 22 A D S S+ 0 0 169 8,-0.5 2,-0.3 1,-0.1 9,-0.1 0.763 98.3 67.4 52.3 37.2 -8.4 76.0 -5.8 21 23 A H S S- 0 0 82 7,-0.4 7,-2.4 5,-0.0 2,-0.3 -0.962 81.1-100.9-167.8 164.3 -11.6 77.4 -4.4 22 24 A L E -A 27 0A 124 -2,-0.3 2,-0.4 5,-0.2 167,-0.0 -0.742 28.9-178.5 -98.2 144.7 -13.0 80.3 -2.5 23 25 A V E > S-A 26 0A 46 3,-2.9 3,-2.2 -2,-0.3 -2,-0.0 -0.986 79.5 -1.9-138.1 126.2 -13.7 80.3 1.2 24 26 A N T 3 S- 0 0 87 -2,-0.4 -1,-0.1 1,-0.3 183,-0.0 0.859 130.7 -63.2 59.9 31.4 -15.1 83.4 2.9 25 27 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.500 119.3 104.3 71.6 2.3 -14.9 85.0 -0.5 26 28 A K E < S-A 23 0A 21 -3,-2.2 -3,-2.9 1,-0.0 -1,-0.2 -0.833 82.6 -94.3-115.7 155.5 -11.2 84.6 -0.5 27 29 A P E -A 22 0A 54 0, 0.0 163,-2.9 0, 0.0 2,-0.5 -0.404 37.4-126.2 -66.6 141.3 -8.9 82.2 -2.3 28 30 A S - 0 0 3 -7,-2.4 -8,-0.5 161,-0.2 2,-0.4 -0.788 27.2-152.1 -86.5 126.8 -8.1 79.2 -0.2 29 31 A F - 0 0 37 -2,-0.5 -10,-0.1 -10,-0.2 162,-0.1 -0.856 7.1-130.9-104.6 138.7 -4.3 78.9 -0.2 30 32 A T > - 0 0 45 -2,-0.4 4,-2.4 -12,-0.2 5,-0.2 -0.310 37.0 -96.6 -75.7 168.8 -2.5 75.5 0.2 31 33 A V H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.920 127.5 49.9 -52.9 -44.3 0.2 75.2 2.8 32 34 A D H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 108.7 51.5 -65.9 -35.6 2.8 75.8 0.0 33 35 A Q H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 112.2 46.5 -68.3 -34.7 1.0 78.9 -1.2 34 36 A V H X S+ 0 0 0 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.867 105.8 59.8 -73.9 -33.7 1.0 80.3 2.3 35 37 A A H X S+ 0 0 3 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.917 109.7 43.5 -59.6 -39.8 4.6 79.4 2.7 36 38 A D H >< S+ 0 0 76 -4,-1.8 3,-1.0 2,-0.2 -1,-0.2 0.946 113.1 52.2 -68.1 -45.2 5.3 81.7 -0.2 37 39 A Q H >< S+ 0 0 30 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.932 109.5 48.4 -55.8 -49.1 2.9 84.3 1.2 38 40 A L H 3< S+ 0 0 0 -4,-3.5 137,-3.2 1,-0.3 -1,-0.3 0.615 116.8 43.2 -69.6 -13.5 4.6 84.3 4.6 39 41 A T T X< S+ 0 0 18 -3,-1.0 3,-1.3 -4,-0.7 -1,-0.3 0.107 77.0 117.3-117.4 22.5 8.1 84.7 2.9 40 42 A R T < + 0 0 85 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.641 62.6 69.3 -66.2 -17.3 7.1 87.3 0.4 41 43 A S T 3 S- 0 0 49 132,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.786 94.7-137.4 -72.3 -25.5 9.4 89.9 1.7 42 44 A G < + 0 0 63 -3,-1.3 2,-0.4 1,-0.3 -2,-0.1 0.506 56.8 136.2 81.9 3.3 12.5 87.9 0.6 43 45 A A + 0 0 2 130,-0.2 2,-0.3 90,-0.0 -1,-0.3 -0.699 18.5 141.0 -89.1 137.2 14.3 88.6 3.9 44 46 A S - 0 0 24 -2,-0.4 2,-0.2 -3,-0.1 129,-0.1 -0.961 53.4 -95.3-161.0 165.5 16.2 85.9 5.6 45 47 A W - 0 0 13 127,-0.4 2,-0.4 -2,-0.3 67,-0.1 -0.595 47.4-127.0 -82.2 155.1 19.4 85.3 7.5 46 48 A H 0 0 137 65,-0.5 -1,-0.0 -2,-0.2 0, 0.0 -0.840 360.0 360.0-115.1 145.4 22.2 84.0 5.3 47 49 A D 0 0 79 -2,-0.4 -1,-0.2 6,-0.1 6,-0.0 0.726 360.0 360.0-101.8 360.0 24.4 81.1 5.7 48 ! 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 49 52 A N 0 0 98 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0-148.9 27.7 77.5 4.3 50 53 A D - 0 0 79 2,-0.4 3,-0.1 1,-0.1 -3,-0.0 0.539 360.0-116.1 -71.2 -5.9 27.2 74.9 7.0 51 54 A G S S+ 0 0 34 1,-0.3 2,-0.3 47,-0.0 -1,-0.1 0.689 91.9 87.6 76.4 14.1 23.7 74.5 5.6 52 55 A V S S- 0 0 35 2,-0.0 2,-0.6 45,-0.0 -2,-0.4 -0.988 76.1-131.2-144.3 143.8 22.5 75.7 8.9 53 56 A I E -b 99 0B 7 45,-2.2 47,-3.1 -2,-0.3 2,-0.7 -0.886 20.7-163.6 -99.0 119.1 21.9 79.2 10.2 54 57 A N E -b 100 0B 62 -2,-0.6 57,-3.7 45,-0.2 58,-0.6 -0.905 12.8-179.3-108.4 108.5 23.5 79.7 13.6 55 58 A L E -bc 101 112B 1 45,-3.1 47,-1.8 -2,-0.7 2,-0.3 -0.740 15.2-152.6-105.0 155.4 22.2 82.8 15.4 56 59 A T E -bc 102 113B 16 56,-2.0 58,-2.8 -2,-0.3 2,-0.3 -0.832 14.5-166.2-117.1 160.9 23.1 84.1 18.8 57 60 A Y E -bc 103 114B 12 45,-1.7 47,-2.8 -2,-0.3 2,-0.4 -0.995 6.7-157.8-147.8 153.7 20.8 86.2 20.9 58 61 A T E - c 0 115B 34 56,-1.9 58,-2.1 -2,-0.3 2,-1.1 -0.992 20.7-137.8-134.2 139.4 21.0 88.4 23.9 59 62 A F E - c 0 116B 5 -2,-0.4 58,-0.2 56,-0.2 18,-0.1 -0.842 46.0-123.5 -90.9 104.7 18.5 89.5 26.5 60 63 A L - 0 0 26 56,-1.8 18,-0.4 -2,-1.1 58,-0.2 -0.174 26.2-167.7 -53.4 139.2 19.7 93.1 26.6 61 64 A T S S+ 0 0 108 1,-0.2 16,-0.2 16,-0.1 -1,-0.1 0.546 74.5 25.1-103.7 -12.5 20.8 94.3 30.0 62 65 A A S S- 0 0 54 14,-0.1 -1,-0.2 0, 0.0 14,-0.1 -0.987 94.2 -88.6-148.4 154.7 20.9 98.0 29.0 63 66 A P - 0 0 65 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.381 49.4-117.7 -64.0 140.1 19.3 100.2 26.3 64 67 A P > - 0 0 44 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.208 43.9 -72.8 -72.3 170.5 21.3 100.2 23.1 65 68 A V T 3 S+ 0 0 151 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.428 125.2 20.4 -60.6 135.3 22.8 103.3 21.6 66 69 A G T > S+ 0 0 43 -3,-0.1 3,-1.4 -2,-0.1 4,-0.3 0.364 85.2 130.8 86.3 -3.9 20.0 105.5 20.3 67 70 A Y G X + 0 0 18 -3,-2.1 3,-2.6 1,-0.3 5,-0.4 0.858 62.8 59.5 -49.0 -51.2 17.4 103.8 22.4 68 71 A A G > S+ 0 0 91 1,-0.3 3,-1.1 -4,-0.3 -1,-0.3 0.771 97.4 62.7 -53.0 -30.0 15.8 106.9 23.8 69 72 A S G < S+ 0 0 98 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.583 85.3 75.2 -74.0 -8.9 15.0 108.0 20.2 70 73 A R G < S- 0 0 43 -3,-2.6 -1,-0.2 -4,-0.3 -2,-0.2 0.566 98.4-129.9 -79.9 -8.1 12.7 105.0 19.6 71 74 A G < + 0 0 49 -3,-1.1 -3,-0.1 -4,-0.2 -2,-0.1 0.795 69.4 127.2 65.7 31.5 10.0 106.5 21.8 72 75 A L - 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0 0 64 -50,-0.1 2,-0.4 7,-0.1 7,-0.1 -0.279 57.8-162.3 -53.0 144.5 27.2 88.6 18.6 107 110 A A > - 0 0 48 5,-0.1 3,-2.5 -3,-0.1 5,-0.2 -0.999 30.2-125.8-138.9 140.1 30.1 86.5 17.3 108 111 A R T 3 S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.798 112.2 56.3 -50.9 -31.3 32.1 86.5 14.0 109 112 A G T 3 S+ 0 0 74 -3,-0.0 -1,-0.3 2,-0.0 -55,-0.1 0.630 92.8 88.7 -78.8 -11.7 31.2 82.9 13.6 110 113 A D S < S- 0 0 34 -3,-2.5 -55,-0.2 1,-0.1 3,-0.1 -0.379 73.7-133.5 -87.0 165.0 27.4 83.4 13.8 111 114 A D S S- 0 0 39 -57,-3.7 -65,-0.5 1,-0.3 2,-0.3 0.395 81.6 -24.9 -95.0 2.2 25.0 84.1 11.0 112 115 A G E -c 55 0B 11 -58,-0.6 -56,-2.0 -5,-0.2 2,-0.4 -0.872 60.4-118.3 164.0 164.7 23.2 86.8 12.8 113 116 A H E -c 56 0B 41 -2,-0.3 2,-0.3 -58,-0.2 -56,-0.2 -0.993 17.7-159.8-134.8 136.2 22.4 88.2 16.2 114 117 A M E -c 57 0B 0 -58,-2.8 -56,-1.9 -2,-0.4 2,-0.3 -0.763 3.2-159.2-110.2 156.5 19.1 88.7 18.0 115 118 A T E -ce 58 139B 18 23,-1.7 25,-1.6 -2,-0.3 2,-0.4 -0.975 1.8-165.1-134.5 147.8 18.1 90.9 20.9 116 119 A F E +ce 59 140B 0 -58,-2.1 -56,-1.8 -2,-0.3 -38,-0.3 -0.997 23.5 139.5-132.0 138.9 15.2 90.8 23.4 117 120 A A E - 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