==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 08-AUG-12 4GI3 . COMPND 2 MOLECULE: KERA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR C.KELLENBERGER,A.ROUSSEL . 331 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 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 . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 3 0 1 0 0 0 2 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 1 2 1 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 . 4 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 0 0 1 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 1 A A 0 0 106 0, 0.0 2,-0.2 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 22.6 -1.5 16.0 24.6 2 2 A Q - 0 0 50 75,-0.2 2,-0.5 76,-0.2 78,-0.2 -0.450 360.0-137.2 -69.0 130.9 -0.6 12.4 23.5 3 3 A T B -a 80 0A 57 76,-3.4 78,-1.7 -2,-0.2 -1,-0.1 -0.766 10.7-160.8 -87.1 129.6 2.3 12.0 21.0 4 4 A V - 0 0 72 -2,-0.5 78,-0.1 76,-0.2 76,-0.1 -0.928 18.6-138.4-108.8 106.0 1.8 9.5 18.1 5 5 A P > - 0 0 14 0, 0.0 3,-1.9 0, 0.0 199,-0.1 -0.372 23.9-112.3 -61.6 145.8 5.2 8.7 16.6 6 6 A Y T 3> S+ 0 0 64 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.749 113.4 67.8 -48.8 -33.4 5.2 8.5 12.8 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.763 90.2 62.3 -58.5 -33.7 5.8 4.8 12.9 8 8 A I H <4>S+ 0 0 2 -3,-1.9 5,-2.3 2,-0.2 6,-0.7 0.973 113.0 32.1 -63.8 -55.5 2.3 4.0 14.5 9 9 A P H >45S+ 0 0 55 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.818 114.1 64.0 -70.0 -29.2 0.2 5.3 11.5 10 10 A L H 3<5S+ 0 0 39 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.916 109.8 36.8 -61.9 -43.4 2.9 4.2 9.0 11 11 A I T 3<5S- 0 0 0 -4,-2.0 258,-2.6 -5,-0.1 259,-0.5 0.472 117.3-117.7 -83.1 -4.1 2.5 0.5 9.9 12 12 A K T <>5S+ 0 0 68 -3,-0.5 4,-1.3 -4,-0.4 3,-0.2 0.704 70.6 139.3 72.6 31.4 -1.3 1.2 10.2 13 13 A A H >< + 0 0 0 -5,-2.3 4,-2.7 -6,-0.3 5,-0.2 0.839 67.1 60.9 -72.1 -29.6 -1.4 0.3 13.9 14 14 A D H > S+ 0 0 56 -6,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.878 101.9 53.5 -61.9 -38.2 -3.7 3.2 14.6 15 15 A K H > S+ 0 0 104 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.905 112.0 44.2 -62.2 -41.6 -6.3 1.6 12.1 16 16 A V H ><>S+ 0 0 0 -4,-1.3 5,-1.8 2,-0.2 3,-0.6 0.922 112.1 51.5 -71.5 -40.8 -6.1 -1.7 14.1 17 17 A Q H ><5S+ 0 0 17 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.859 106.2 55.7 -62.0 -36.7 -6.3 0.1 17.5 18 18 A A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.777 100.1 60.1 -66.9 -26.1 -9.5 1.9 16.2 19 19 A Q T <<5S- 0 0 80 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.542 127.3-103.4 -73.5 -11.7 -11.0 -1.6 15.5 20 20 A G T < 5S+ 0 0 53 -3,-1.3 2,-0.6 -4,-0.3 -3,-0.2 0.494 85.3 124.1 96.8 12.9 -10.7 -2.2 19.2 21 21 A F < + 0 0 62 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.2 -0.921 16.4 149.2-112.0 112.2 -7.6 -4.5 19.0 22 22 A K S S- 0 0 67 -2,-0.6 64,-2.8 62,-0.1 65,-0.6 0.203 75.0 -81.6-128.6 9.5 -4.7 -3.2 21.1 23 23 A G > + 0 0 0 209,-0.3 3,-1.6 1,-0.2 65,-0.4 0.489 67.1 169.1 98.5 10.7 -2.8 -6.4 22.2 24 24 A A T 3 + 0 0 45 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.235 68.5 13.7 -56.8 140.2 -5.1 -7.4 25.2 25 25 A N T 3 S+ 0 0 151 61,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.584 100.9 119.1 69.6 12.9 -4.4 -10.9 26.6 26 26 A V < - 0 0 5 -3,-1.6 62,-3.1 60,-0.2 2,-0.5 -0.931 54.4-147.9-111.9 136.5 -1.1 -11.1 24.7 27 27 A K E -b 88 0B 77 -2,-0.4 92,-2.8 90,-0.2 93,-1.5 -0.904 15.7-174.0-107.6 120.7 2.2 -11.4 26.5 28 28 A V E -bc 89 120B 0 60,-2.7 62,-2.9 -2,-0.5 2,-0.5 -0.972 9.6-155.7-118.6 130.6 5.3 -9.8 25.0 29 29 A A E -bc 90 121B 0 91,-2.8 93,-2.7 -2,-0.4 2,-0.7 -0.895 2.3-157.6-108.2 127.7 8.9 -10.1 26.3 30 30 A V E -bc 91 122B 1 60,-2.7 62,-2.7 -2,-0.5 2,-0.9 -0.932 8.1-158.7-101.9 109.9 11.5 -7.4 25.5 31 31 A L E +b 92 0B 0 91,-2.4 93,-0.5 -2,-0.7 62,-0.2 -0.859 51.9 92.4 -94.3 102.0 14.9 -9.1 25.8 32 32 A D E S-b 93 0B 1 60,-1.9 63,-2.2 -2,-0.9 62,-2.2 -0.678 92.0 -37.6-160.5-148.4 17.2 -6.0 26.4 33 33 A T S S- 0 0 0 1,-0.3 27,-0.4 -2,-0.2 28,-0.3 0.230 95.2 -96.9 -83.4 12.5 18.8 -3.7 29.0 34 34 A G - 0 0 1 58,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.467 41.6 -90.4 98.1-173.0 15.7 -3.9 31.2 35 35 A I - 0 0 0 21,-1.2 2,-1.7 23,-0.4 3,-0.1 -0.997 23.2-120.0-141.7 136.8 12.8 -1.5 31.3 36 36 A Q > - 0 0 12 -2,-0.4 3,-1.9 1,-0.2 22,-0.2 -0.623 33.5-175.0 -75.4 89.6 12.3 1.6 33.5 37 37 A A T 3 S+ 0 0 30 -2,-1.7 7,-0.3 20,-1.5 5,-0.2 0.797 76.8 64.2 -60.2 -28.3 9.1 0.1 35.1 38 38 A S T 3 S+ 0 0 92 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.509 73.8 117.2 -74.4 -5.4 8.5 3.4 37.0 39 39 A H S X S- 0 0 3 -3,-1.9 3,-2.0 1,-0.1 168,-0.0 -0.484 71.0-133.1 -63.1 131.4 8.0 5.3 33.7 40 40 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.776 102.9 52.6 -56.3 -28.7 4.4 6.7 33.6 41 41 A D T 3 S+ 0 0 2 32,-0.1 33,-2.5 1,-0.0 2,-0.4 0.267 101.2 71.3 -90.1 6.4 3.8 5.4 30.0 42 42 A L < - 0 0 2 -3,-2.0 2,-0.6 31,-0.2 31,-0.1 -0.993 54.8-166.3-131.8 130.9 4.9 1.8 30.7 43 43 A N - 0 0 99 -2,-0.4 46,-0.7 29,-0.3 2,-0.6 -0.953 11.8-170.3-112.3 103.9 3.2 -1.0 32.6 44 44 A V E -d 89 0B 29 -2,-0.6 46,-0.2 -7,-0.3 3,-0.1 -0.897 5.7-178.9 -95.9 116.3 5.8 -3.9 33.2 45 45 A V E - 0 0 86 44,-2.5 2,-0.3 -2,-0.6 45,-0.2 0.421 58.3 -34.8-101.4 3.4 3.9 -6.9 34.6 46 46 A G E +d 90 0B 10 43,-0.7 45,-2.2 10,-0.0 2,-0.3 -0.975 62.0 142.3 169.2-168.1 6.8 -9.3 35.1 47 47 A G E -d 91 0B 14 -2,-0.3 2,-0.3 43,-0.3 45,-0.2 -0.901 34.6-108.3 140.4-166.7 10.1 -10.5 33.7 48 48 A A E -d 92 0B 15 43,-1.6 45,-2.2 -2,-0.3 2,-0.5 -0.979 14.4-129.4-161.5 152.2 13.5 -11.7 34.8 49 49 A S E +d 93 0B 35 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.951 18.6 175.4-113.5 129.6 17.1 -10.6 35.0 50 50 A F + 0 0 80 43,-3.2 2,-0.6 -2,-0.5 44,-0.1 0.067 61.3 95.9-112.1 19.7 20.0 -12.6 33.7 51 51 A V S > S- 0 0 24 3,-0.3 3,-1.8 42,-0.2 44,-0.1 -0.953 83.2-117.8-112.1 112.5 22.5 -9.7 34.4 52 52 A A T 3 S+ 0 0 103 -2,-0.6 -2,-0.1 1,-0.2 3,-0.1 -0.165 92.4 11.1 -55.7 139.6 24.2 -10.2 37.8 53 53 A G T 3 S+ 0 0 92 1,-0.1 2,-0.4 -4,-0.1 -1,-0.2 0.296 107.9 96.4 78.5 -8.3 23.5 -7.4 40.4 54 54 A E < - 0 0 48 -3,-1.8 -3,-0.3 39,-0.1 2,-0.2 -0.942 66.5-135.4-117.9 137.4 20.7 -5.7 38.3 55 55 A A > - 0 0 54 -2,-0.4 3,-1.0 1,-0.1 -5,-0.1 -0.540 23.5-120.0 -83.8 156.8 16.9 -6.3 38.8 56 57 A Y T 3 S+ 0 0 80 1,-0.2 -21,-1.2 -2,-0.2 -8,-0.1 0.755 106.2 63.3 -68.4 -25.7 14.7 -6.7 35.6 57 58 A N T 3 S+ 0 0 74 -23,-0.2 -20,-1.5 -21,-0.1 -19,-0.4 0.151 92.9 71.5 -91.2 20.9 12.5 -3.7 36.3 58 59 A T < - 0 0 71 -3,-1.0 -23,-0.4 -22,-0.2 2,-0.3 -0.896 60.5-159.4-128.3 155.6 15.3 -1.0 36.1 59 60 A D + 0 0 15 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.843 14.1 174.8-142.0 102.4 17.1 0.2 33.0 60 61 A G S S+ 0 0 59 -27,-0.4 -26,-0.1 -2,-0.3 -1,-0.1 0.384 82.9 46.8 -83.6 -1.2 20.5 1.9 33.5 61 62 A N S S- 0 0 51 -28,-0.3 -1,-0.1 38,-0.0 -27,-0.1 0.799 88.7-137.8-107.2 -48.9 21.1 2.1 29.7 62 63 A G S > S+ 0 0 1 -29,-0.1 4,-1.9 -28,-0.1 5,-0.2 -0.145 78.6 96.0 115.2 -36.1 17.9 3.5 28.1 63 64 A H H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 84.8 47.4 -53.5 -54.1 17.8 1.1 25.0 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.845 111.0 51.6 -60.3 -37.9 15.4 -1.4 26.5 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 142,-0.3 0.889 111.3 48.3 -65.5 -40.0 12.9 1.3 27.8 66 67 A H H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 141,-0.3 0.947 113.1 46.7 -67.0 -48.0 12.9 2.9 24.2 67 68 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.4 0.929 112.8 50.2 -59.8 -46.1 12.3 -0.5 22.6 68 69 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.847 106.4 56.4 -60.6 -39.5 9.5 -1.4 25.1 69 70 A G H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.851 104.2 52.1 -61.9 -38.7 7.9 2.0 24.5 70 71 A T H < S+ 0 0 5 -4,-1.7 13,-2.9 -3,-0.4 -1,-0.2 0.904 117.2 39.3 -64.9 -42.6 7.6 1.3 20.8 71 72 A V H < S+ 0 0 0 -4,-1.6 13,-3.0 11,-0.2 -2,-0.2 0.907 138.7 3.6 -65.1 -49.1 5.8 -2.1 21.6 72 73 A A H < + 0 0 4 -4,-3.0 -29,-0.3 11,-0.2 -3,-0.2 0.231 67.0 153.7-138.6 14.3 3.7 -0.9 24.5 73 74 A A < - 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