==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-12 4ES2 . COMPND 2 MOLECULE: BH0342 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.KE,K.H.NAM . 84 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 79.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 23.8 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 14 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 31.0 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+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 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 H 0 0 194 0, 0.0 45,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -69.4 13.6 -4.4 32.5 2 0 A M - 0 0 92 43,-0.1 2,-0.4 44,-0.1 43,-0.2 -0.713 360.0-162.0 -93.8 147.3 11.9 -5.7 29.2 3 1 A M E -A 44 0A 31 41,-2.7 41,-2.2 -2,-0.3 2,-0.5 -0.963 17.1-133.5-124.5 139.5 9.4 -3.5 27.2 4 2 A L E -A 43 0A 33 69,-2.6 68,-3.0 -2,-0.4 69,-0.6 -0.843 30.1-171.0 -87.1 129.6 6.9 -4.4 24.6 5 3 A V E -AB 42 71A 0 37,-3.1 37,-3.0 -2,-0.5 2,-0.5 -0.979 13.5-154.0-126.2 132.4 7.2 -2.0 21.7 6 4 A L E -AB 41 70A 41 64,-2.6 64,-3.0 -2,-0.4 2,-0.5 -0.908 9.5-165.0-105.2 128.5 4.8 -1.6 18.7 7 5 A I E -AB 40 69A 1 33,-2.8 33,-2.4 -2,-0.5 2,-0.5 -0.966 2.5-169.7-119.1 119.5 6.2 -0.2 15.5 8 6 A T E -AB 39 68A 42 60,-2.3 60,-2.0 -2,-0.5 2,-0.6 -0.952 6.0-162.9-113.0 119.6 3.9 1.0 12.8 9 7 A Y E - B 0 67A 5 29,-2.7 2,-0.9 -2,-0.5 58,-0.2 -0.911 6.8-162.2-111.8 115.0 5.4 1.8 9.4 10 8 A D E + B 0 66A 114 56,-3.1 56,-1.8 -2,-0.6 2,-0.3 -0.861 33.2 147.6 -98.0 102.2 3.5 3.9 6.9 11 9 A V 0 0 23 -2,-0.9 54,-0.1 54,-0.2 -2,-0.1 -0.985 360.0 360.0-136.7 143.4 5.3 3.2 3.6 12 10 A Q 0 0 168 -2,-0.3 5,-0.2 52,-0.2 6,-0.2 -0.717 360.0 360.0 -84.6 360.0 3.9 3.1 -0.0 13 ! 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 14 13 A S > 0 0 65 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 161.5 6.8 2.3 -5.2 15 14 A M H > + 0 0 144 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.937 360.0 47.1 -69.6 -47.3 10.1 0.5 -5.7 16 15 A G H > S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.910 110.9 54.3 -59.2 -42.4 12.0 2.4 -3.0 17 16 A G H > S+ 0 0 1 -5,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 106.9 49.3 -58.8 -47.7 9.1 1.8 -0.7 18 17 A T H X S+ 0 0 93 -4,-2.0 4,-1.9 -6,-0.2 -1,-0.2 0.900 112.9 48.9 -58.9 -40.9 9.2 -2.0 -1.2 19 18 A K H X S+ 0 0 73 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.926 111.2 48.5 -66.1 -43.4 13.0 -1.9 -0.6 20 19 A R H X S+ 0 0 18 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.900 108.6 54.3 -66.5 -39.2 12.7 0.1 2.6 21 20 A L H X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.919 106.1 52.7 -60.1 -41.4 9.9 -2.2 3.9 22 21 A R H X S+ 0 0 146 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.929 112.7 44.8 -59.3 -43.9 12.2 -5.2 3.4 23 22 A K H X S+ 0 0 62 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 113.2 48.9 -68.4 -43.2 15.0 -3.5 5.4 24 23 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.909 110.7 51.7 -61.6 -41.9 12.7 -2.3 8.2 25 24 A A H X S+ 0 0 11 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.929 109.8 49.4 -63.0 -42.7 11.2 -5.8 8.5 26 25 A K H X S+ 0 0 162 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.924 110.9 49.6 -62.2 -44.3 14.7 -7.3 8.8 27 26 A A H >< S+ 0 0 4 -4,-2.3 3,-0.7 1,-0.2 4,-0.2 0.937 114.2 44.4 -60.8 -46.4 15.7 -4.8 11.5 28 27 A C H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 4,-0.4 0.850 103.1 65.3 -66.8 -33.2 12.5 -5.4 13.5 29 28 A Q H >< S+ 0 0 136 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.757 89.5 67.8 -61.3 -26.0 12.8 -9.2 13.1 30 29 A N T << S+ 0 0 101 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.693 115.8 25.7 -63.9 -19.2 16.0 -9.1 15.2 31 30 A Y T < S- 0 0 48 -3,-2.1 12,-2.4 -4,-0.2 2,-0.3 0.220 130.5 -34.5-130.4 10.4 13.9 -8.1 18.2 32 31 A G E < S-C 42 0A 27 -3,-0.6 2,-0.3 -4,-0.4 10,-0.2 -0.949 73.8 -43.0 168.1-148.9 10.4 -9.6 17.5 33 32 A Q E -C 41 0A 138 8,-2.5 8,-2.8 -2,-0.3 2,-0.7 -0.893 31.0-126.1-130.5 147.6 7.7 -10.5 15.0 34 33 A R E +C 40 0A 99 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.836 29.4 173.6 -90.9 112.2 5.9 -9.1 12.0 35 34 A V E + 0 0 30 4,-2.1 2,-0.3 -2,-0.7 5,-0.2 0.674 68.4 9.8-101.4 -21.0 2.2 -9.2 12.8 36 35 A Q E > S-C 39 0A 99 3,-1.5 3,-1.1 50,-0.0 -1,-0.1 -0.875 100.0 -80.1-141.4 177.3 0.9 -7.4 9.7 37 36 A N T 3 S+ 0 0 89 -2,-0.3 -12,-0.1 1,-0.3 48,-0.0 0.861 127.6 8.6 -50.2 -43.5 2.6 -6.3 6.5 38 37 A S T 3 S+ 0 0 30 -14,-0.0 -29,-2.7 -4,-0.0 2,-0.4 -0.049 109.0 95.4-134.3 37.6 4.1 -3.2 8.1 39 38 A V E < -AC 8 36A 22 -3,-1.1 -4,-2.1 -31,-0.2 -3,-1.5 -0.998 50.2-172.8-128.5 132.5 3.4 -3.6 11.9 40 39 A F E -AC 7 34A 2 -33,-2.4 -33,-2.8 -2,-0.4 2,-0.5 -0.950 16.6-152.4-131.4 139.3 6.0 -5.2 14.2 41 40 A E E -AC 6 33A 56 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.4 -0.972 22.8-178.5-113.0 118.7 6.0 -6.3 17.8 42 41 A C E -AC 5 32A 1 -37,-3.0 -37,-3.1 -2,-0.5 2,-0.5 -0.917 21.4-153.1-120.7 145.3 9.3 -6.1 19.5 43 42 A I E +A 4 0A 101 -12,-2.4 2,-0.3 -2,-0.4 -39,-0.2 -0.982 37.0 153.7-119.4 119.1 10.4 -7.0 23.1 44 43 A V E -A 3 0A 0 -41,-2.2 -41,-2.7 -2,-0.5 2,-0.1 -0.956 42.4-125.3-145.8 150.6 13.5 -5.0 24.1 45 44 A D > - 0 0 44 -2,-0.3 4,-2.3 -43,-0.2 5,-0.2 -0.358 51.5 -91.0 -84.5-177.0 15.5 -3.6 26.9 46 45 A S H > S+ 0 0 84 -45,-0.3 4,-1.9 1,-0.2 5,-0.1 0.877 126.2 48.9 -67.4 -37.6 16.3 0.2 26.9 47 46 A T H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 112.5 47.6 -67.6 -45.0 19.6 -0.2 25.1 48 47 A Q H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.883 108.7 55.1 -65.2 -39.4 18.1 -2.4 22.4 49 48 A L H X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.946 109.9 46.2 -59.4 -47.5 15.2 -0.0 21.9 50 49 A T H X S+ 0 0 76 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.943 113.6 48.5 -59.5 -46.3 17.6 2.9 21.2 51 50 A S H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.933 114.7 45.1 -60.0 -48.7 19.7 0.8 18.9 52 51 A L H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.925 112.4 51.1 -62.5 -44.3 16.6 -0.4 16.9 53 52 A K H X S+ 0 0 68 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.898 110.0 49.2 -64.8 -41.2 15.0 3.1 16.8 54 53 A L H X S+ 0 0 106 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.927 112.8 48.9 -59.7 -45.4 18.3 4.7 15.4 55 54 A E H X S+ 0 0 81 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.943 112.8 45.9 -61.7 -48.9 18.4 1.9 12.8 56 55 A L H >X S+ 0 0 1 -4,-2.9 4,-1.3 1,-0.2 3,-0.6 0.920 110.2 53.4 -61.5 -42.2 14.8 2.4 11.8 57 56 A T H 3< S+ 0 0 59 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.915 109.2 50.7 -59.4 -38.5 15.1 6.1 11.6 58 57 A S H 3< S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.759 108.5 52.5 -73.0 -22.9 18.1 5.7 9.3 59 58 A L H << S+ 0 0 36 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.723 93.1 81.4 -86.8 -25.6 16.2 3.3 6.9 60 59 A I S < S- 0 0 25 -4,-1.3 2,-0.7 -3,-0.4 -49,-0.0 -0.341 78.2-121.2 -82.7 162.8 13.1 5.3 6.1 61 60 A D >> - 0 0 48 1,-0.1 4,-2.7 -2,-0.1 3,-0.8 -0.934 24.4-157.9 -96.2 109.9 12.6 8.1 3.6 62 61 A E T 34 S+ 0 0 134 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.642 87.4 53.3 -73.2 -12.4 11.4 10.9 5.8 63 62 A E T 34 S+ 0 0 185 1,-0.1 -1,-0.3 -3,-0.0 3,-0.0 0.768 124.5 24.3 -82.3 -27.4 9.7 12.8 3.1 64 63 A K T <4 S+ 0 0 130 -3,-0.8 2,-0.3 -52,-0.0 -52,-0.2 0.587 120.5 45.0-115.8 -17.7 7.6 9.8 1.9 65 64 A D < - 0 0 13 -4,-2.7 2,-0.3 -54,-0.1 -54,-0.2 -0.815 55.4-161.6-124.5 163.3 7.3 7.5 5.0 66 65 A S E -B 10 0A 57 -56,-1.8 -56,-3.1 -2,-0.3 2,-0.4 -0.989 2.3-159.9-142.4 157.8 6.6 7.6 8.7 67 66 A L E -B 9 0A 33 -2,-0.3 2,-0.4 -58,-0.2 -58,-0.2 -0.981 3.4-160.9-124.6 141.7 7.1 5.3 11.7 68 67 A R E -B 8 0A 148 -60,-2.0 -60,-2.3 -2,-0.4 2,-0.6 -0.989 5.6-158.9-119.7 138.8 5.4 5.4 15.1 69 68 A I E -B 7 0A 56 -2,-0.4 2,-0.5 -62,-0.2 -62,-0.2 -0.959 7.8-168.2-119.5 111.6 7.0 3.7 18.1 70 69 A Y E -B 6 0A 93 -64,-3.0 -64,-2.6 -2,-0.6 2,-0.8 -0.902 11.9-150.5-103.7 124.8 4.6 2.8 20.9 71 70 A R E +B 5 0A 167 -2,-0.5 -66,-0.2 -66,-0.2 -2,-0.0 -0.833 15.6 179.2 -93.7 110.1 6.0 1.8 24.3 72 71 A L 0 0 60 -68,-3.0 -67,-0.2 -2,-0.8 -1,-0.1 0.489 360.0 360.0 -93.1 -4.0 3.4 -0.6 25.8 73 72 A G 0 0 60 -69,-0.6 -69,-2.6 2,-0.0 -1,-0.3 -0.332 360.0 360.0 95.8 360.0 5.4 -1.3 29.0 74 ! 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 75 75 A Y 0 0 172 0, 0.0 -2,-0.0 0, 0.0 -72,-0.0 0.000 360.0 360.0 360.0 360.0 1.8 -6.2 28.9 76 ! 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 77 77 A T 0 0 85 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.0 -3.8 -7.6 27.6 78 78 A K - 0 0 204 1,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.299 360.0-150.3 -57.2 127.7 -5.2 -9.6 24.7 79 79 A V - 0 0 93 -2,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.863 17.5-133.9 -92.1 134.4 -4.7 -7.9 21.3 80 80 A E - 0 0 161 -2,-0.5 2,-0.5 2,-0.0 -2,-0.0 -0.809 15.2-161.3 -96.0 125.9 -7.5 -8.9 18.9 81 81 A H - 0 0 101 -2,-0.5 2,-0.5 2,-0.0 -2,-0.0 -0.930 9.7-171.3-105.3 125.7 -6.5 -9.9 15.4 82 82 A I + 0 0 136 -2,-0.5 2,-0.2 2,-0.1 -2,-0.0 -0.974 47.8 0.1-123.9 123.8 -9.4 -9.7 12.9 83 83 A G S S- 0 0 68 -2,-0.5 -2,-0.0 2,-0.0 0, 0.0 -0.577 91.0 -31.1 98.5-160.9 -9.1 -11.1 9.3 84 84 A A - 0 0 78 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 0.170 66.3 -41.1 -85.9-170.6 -6.3 -12.8 7.4 85 85 A K - 0 0 159 1,-0.1 2,-0.1 -49,-0.1 -2,-0.0 0.353 23.3-134.3 52.4-158.4 -2.5 -13.0 7.0 86 86 A P 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -50,-0.0 0.464 360.0 360.0 -88.3 165.6 0.1 -11.4 6.9 87 87 A S 0 0 134 -2,-0.1 -51,-0.0 0, 0.0 -2,-0.0 0.935 360.0 360.0 -80.8 360.0 2.3 -12.6 4.0