==== 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 4ES1 . COMPND 2 MOLECULE: BH0342 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.KE,K.H.NAM . 95 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 68.4 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 . 21 22.1 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 11 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 28.4 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 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 . 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 -3 A G > 0 0 84 0, 0.0 3,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.5 13.2 -8.9 33.7 2 -2 A S T 3 + 0 0 128 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.743 360.0 61.5 -64.3 -19.6 12.4 -5.6 35.1 3 -1 A H T 3 S+ 0 0 110 2,-0.0 46,-0.4 45,-0.0 -1,-0.3 0.457 83.4 106.7 -85.1 -4.7 14.3 -3.9 32.3 4 0 A M < - 0 0 61 -3,-2.1 2,-0.3 44,-0.1 44,-0.2 -0.440 47.0-170.2 -84.3 157.5 12.1 -5.3 29.5 5 1 A M E -A 47 0A 39 42,-1.8 42,-2.1 -2,-0.1 2,-0.5 -1.000 24.0-128.3-145.8 138.8 9.6 -3.3 27.5 6 2 A L E -AB 46 75A 46 69,-0.5 69,-2.0 -2,-0.3 2,-0.4 -0.798 32.5-175.0 -82.3 123.4 6.8 -4.0 25.0 7 3 A V E -AB 45 74A 4 38,-3.1 38,-2.9 -2,-0.5 2,-0.5 -0.987 12.3-161.7-128.3 125.9 7.3 -1.8 21.9 8 4 A L E -AB 44 73A 43 65,-2.3 65,-2.9 -2,-0.4 2,-0.5 -0.899 7.6-164.1-104.3 127.5 4.9 -1.6 18.9 9 5 A I E -AB 43 72A 0 34,-2.7 34,-2.4 -2,-0.5 2,-0.5 -0.967 3.1-169.3-117.5 123.6 6.3 -0.2 15.7 10 6 A T E -AB 42 71A 39 61,-2.4 61,-2.1 -2,-0.5 2,-0.6 -0.945 6.4-161.9-115.7 120.0 3.9 0.9 13.0 11 7 A Y E - B 0 70A 4 30,-2.7 2,-0.8 -2,-0.5 59,-0.2 -0.920 6.5-156.5-112.0 119.4 5.4 1.7 9.6 12 8 A D E + B 0 69A 102 57,-3.0 57,-1.6 -2,-0.6 2,-0.3 -0.843 36.4 143.5 -98.0 104.0 3.5 3.8 7.0 13 9 A V - 0 0 19 -2,-0.8 2,-0.8 55,-0.2 55,-0.1 -0.996 48.6-130.2-139.9 143.8 4.9 2.9 3.6 14 10 A Q > - 0 0 131 -2,-0.3 3,-1.0 1,-0.1 6,-0.3 -0.829 18.1-171.3-100.8 113.9 3.4 2.5 0.2 15 11 A T T 3 S+ 0 0 60 -2,-0.8 6,-0.1 1,-0.3 -1,-0.1 0.454 71.5 85.7 -87.5 2.4 4.6 -0.8 -1.3 16 12 A S T 3 S+ 0 0 119 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.777 85.6 75.6 -63.8 -25.9 3.1 -0.1 -4.7 17 13 A S S <> S- 0 0 44 -3,-1.0 4,-2.0 1,-0.1 5,-0.2 -0.562 85.9-129.5 -83.8 151.6 6.4 1.6 -5.2 18 14 A M H > S+ 0 0 150 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.964 109.0 46.7 -61.7 -53.3 9.8 0.1 -5.8 19 15 A G H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 110.8 51.9 -63.9 -39.9 11.5 2.1 -3.1 20 16 A G H > S+ 0 0 0 -6,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.894 108.4 51.3 -61.6 -36.9 8.8 1.4 -0.6 21 17 A T H X S+ 0 0 73 -4,-2.0 4,-2.0 -7,-0.2 -1,-0.2 0.914 112.1 47.0 -61.2 -47.5 9.0 -2.3 -1.2 22 18 A K H X S+ 0 0 99 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.925 113.1 48.4 -60.5 -46.7 12.8 -2.1 -0.6 23 19 A R H X S+ 0 0 34 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.899 109.4 52.8 -65.1 -40.7 12.5 -0.1 2.6 24 20 A L H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.904 107.3 51.8 -59.8 -46.0 9.8 -2.3 4.0 25 21 A R H X S+ 0 0 144 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.936 113.3 44.9 -57.4 -42.7 12.0 -5.4 3.5 26 22 A K H X S+ 0 0 82 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 113.8 48.7 -69.6 -41.7 14.8 -3.6 5.3 27 23 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.917 111.8 50.1 -62.7 -44.4 12.6 -2.4 8.2 28 24 A A H X S+ 0 0 9 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.910 109.9 50.1 -61.5 -42.4 11.1 -5.8 8.6 29 25 A K H X S+ 0 0 163 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.927 111.9 48.6 -62.7 -42.5 14.5 -7.4 8.8 30 26 A A H >< S+ 0 0 5 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.942 114.1 44.8 -62.9 -44.4 15.6 -4.9 11.4 31 27 A C H >X S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.2 4,-0.7 0.829 102.0 67.2 -69.9 -31.6 12.5 -5.4 13.5 32 28 A Q H 3< S+ 0 0 139 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.781 88.2 67.8 -62.3 -22.8 12.7 -9.3 13.2 33 29 A N T << S+ 0 0 101 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.670 114.3 28.2 -65.2 -17.5 15.9 -9.1 15.2 34 30 A Y T <4 S- 0 0 51 -3,-2.2 12,-2.1 -4,-0.2 2,-0.3 0.324 128.5 -35.8-130.6 8.3 13.7 -8.1 18.2 35 31 A G E < S-C 45 0A 27 -4,-0.7 2,-0.3 -3,-0.4 10,-0.2 -0.898 74.0 -39.0 167.8-150.0 10.3 -9.6 17.6 36 32 A Q E -C 44 0A 135 8,-2.4 8,-2.7 -2,-0.3 2,-0.8 -0.870 32.3-128.7-125.2 147.4 7.5 -10.6 15.3 37 33 A R E +C 43 0A 107 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.821 30.5 171.5 -94.6 105.8 5.8 -9.2 12.2 38 34 A V E + 0 0 30 4,-1.7 2,-0.3 -2,-0.8 5,-0.2 0.646 68.0 10.8 -99.5 -19.5 2.1 -9.3 13.0 39 35 A Q E > S-C 42 0A 101 3,-1.4 3,-1.1 50,-0.1 -1,-0.1 -0.882 98.9 -84.0-140.4 177.3 0.8 -7.4 9.9 40 36 A N T 3 S+ 0 0 78 -2,-0.3 -12,-0.1 1,-0.3 49,-0.0 0.858 127.3 12.4 -53.7 -41.3 2.6 -6.4 6.7 41 37 A S T 3 S+ 0 0 30 -14,-0.0 -30,-2.7 -13,-0.0 2,-0.4 -0.034 108.1 93.5-131.6 32.5 4.0 -3.3 8.3 42 38 A V E < -AC 10 39A 21 -3,-1.1 -4,-1.7 -32,-0.2 -3,-1.4 -0.998 51.0-170.0-128.8 131.0 3.4 -3.7 12.1 43 39 A F E -AC 9 37A 1 -34,-2.4 -34,-2.7 -2,-0.4 2,-0.6 -0.971 15.1-152.3-128.8 133.2 6.0 -5.2 14.4 44 40 A E E -AC 8 36A 66 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.3 -0.919 24.3-178.7-106.7 114.9 5.8 -6.3 18.0 45 41 A C E -AC 7 35A 2 -38,-2.9 -38,-3.1 -2,-0.6 2,-0.5 -0.882 21.5-158.5-118.9 145.7 9.2 -6.1 19.7 46 42 A I E +A 6 0A 100 -12,-2.1 2,-0.3 -2,-0.3 -40,-0.2 -0.985 36.9 150.9-125.9 114.7 10.3 -7.0 23.2 47 43 A V E -A 5 0A 0 -42,-2.1 -42,-1.8 -2,-0.5 2,-0.1 -0.939 44.8-120.1-145.5 156.5 13.4 -5.1 24.1 48 44 A D > - 0 0 42 -2,-0.3 4,-2.4 -44,-0.2 5,-0.2 -0.356 50.6 -93.3 -86.1 177.3 15.6 -3.5 26.8 49 45 A S H > S+ 0 0 76 -46,-0.4 4,-2.1 2,-0.2 5,-0.2 0.878 124.8 50.4 -65.6 -38.1 16.4 0.2 26.7 50 46 A T H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 112.0 47.5 -66.4 -44.0 19.7 -0.3 24.8 51 47 A Q H > S+ 0 0 59 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.888 109.3 54.2 -64.1 -40.7 18.1 -2.5 22.2 52 48 A L H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.940 110.1 46.8 -59.9 -48.4 15.2 -0.0 21.7 53 49 A T H X S+ 0 0 77 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.930 113.6 47.8 -58.7 -45.9 17.7 2.8 21.1 54 50 A S H X S+ 0 0 62 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.935 114.9 45.8 -62.1 -44.5 19.7 0.7 18.6 55 51 A L H X S+ 0 0 1 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.925 111.6 51.4 -62.0 -46.5 16.6 -0.4 16.8 56 52 A K H X S+ 0 0 68 -4,-2.8 4,-2.8 -5,-0.3 5,-0.2 0.903 110.4 48.7 -63.2 -40.3 15.1 3.0 16.7 57 53 A L H X S+ 0 0 104 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.930 112.1 49.7 -60.2 -47.9 18.3 4.5 15.2 58 54 A E H X S+ 0 0 80 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.938 114.3 44.1 -59.4 -46.7 18.5 1.8 12.6 59 55 A L H >X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 3,-0.5 0.913 109.9 54.3 -66.8 -43.1 14.8 2.3 11.6 60 56 A T H 3< S+ 0 0 60 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.919 110.0 49.5 -55.4 -43.2 15.1 6.1 11.5 61 57 A S H 3< S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.774 108.7 53.2 -68.8 -24.8 18.0 5.7 9.1 62 58 A L H << S+ 0 0 44 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.693 92.7 83.5 -82.6 -29.3 16.2 3.3 6.8 63 59 A I S < S- 0 0 24 -4,-1.3 2,-0.7 -3,-0.4 -50,-0.0 -0.331 78.3-122.1 -80.5 164.3 13.0 5.2 6.1 64 60 A D >> - 0 0 42 1,-0.1 4,-2.7 -2,-0.1 3,-1.1 -0.927 24.0-159.1 -96.5 105.2 12.4 8.0 3.5 65 61 A E T 34 S+ 0 0 140 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.639 87.1 55.8 -68.2 -13.6 11.2 10.8 5.7 66 62 A E T 34 S+ 0 0 185 1,-0.1 -1,-0.3 -3,-0.0 3,-0.0 0.755 124.4 21.7 -78.0 -28.5 9.5 12.7 2.9 67 63 A K T <4 S+ 0 0 114 -3,-1.1 2,-0.3 1,-0.0 -2,-0.2 0.590 120.3 44.6-113.1 -28.8 7.3 9.7 2.0 68 64 A D < - 0 0 14 -4,-2.7 2,-0.3 -55,-0.1 -55,-0.2 -0.806 54.7-163.5-119.2 165.5 7.1 7.4 5.1 69 65 A S E -B 12 0A 52 -57,-1.6 -57,-3.0 -2,-0.3 2,-0.4 -0.989 5.9-154.5-148.0 159.3 6.7 7.4 8.8 70 66 A L E -B 11 0A 34 -2,-0.3 2,-0.4 -59,-0.2 -59,-0.2 -0.972 3.6-160.8-119.6 145.3 7.2 5.3 11.9 71 67 A R E -B 10 0A 150 -61,-2.1 -61,-2.4 -2,-0.4 2,-0.6 -0.994 6.9-160.1-122.8 134.8 5.4 5.4 15.2 72 68 A I E -B 9 0A 52 -2,-0.4 2,-0.5 -63,-0.2 -63,-0.2 -0.958 7.7-167.9-116.6 111.1 7.0 3.8 18.2 73 69 A Y E -B 8 0A 97 -65,-2.9 -65,-2.3 -2,-0.6 2,-0.9 -0.884 11.8-156.5-105.5 124.3 4.7 2.9 21.1 74 70 A R E -B 7 0A 166 -2,-0.5 -67,-0.2 -67,-0.2 2,-0.2 -0.866 24.0-150.9 -95.6 100.0 6.0 2.0 24.5 75 71 A L E -B 6 0A 86 -69,-2.0 -69,-0.5 -2,-0.9 3,-0.1 -0.467 19.4-103.2 -74.0 148.4 3.2 0.0 25.9 76 72 A G - 0 0 62 -2,-0.2 -1,-0.1 1,-0.1 -71,-0.0 -0.321 59.0 -76.7 -62.2 151.4 2.5 -0.2 29.6 77 73 A N - 0 0 102 -3,-0.1 2,-0.3 -73,-0.1 -1,-0.1 -0.219 60.0-178.7 -57.4 135.7 3.7 -3.5 31.1 78 74 A N + 0 0 51 -3,-0.1 3,-0.1 1,-0.1 4,-0.1 -0.999 24.8 178.3-147.5 135.4 1.2 -6.2 30.3 79 75 A Y S S+ 0 0 201 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.293 72.2 52.2-121.7 -6.8 1.1 -9.9 31.2 80 76 A K S S- 0 0 168 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.975 101.2 -88.3-135.2 135.7 -2.2 -11.2 29.7 81 77 A T + 0 0 113 -2,-0.3 -2,-0.1 1,-0.1 3,-0.0 -0.103 40.2 175.5 -56.5 134.6 -2.9 -10.6 26.0 82 78 A K + 0 0 183 -4,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.225 50.4 95.6-130.8 38.7 -4.8 -7.3 25.1 83 79 A V - 0 0 93 2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.996 51.6-162.7-129.2 135.7 -4.7 -7.6 21.3 84 80 A E - 0 0 161 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.977 9.1-154.0-113.8 125.4 -7.4 -8.9 19.0 85 81 A H - 0 0 73 -2,-0.4 2,-0.5 2,-0.0 4,-0.1 -0.906 12.2-171.3-101.2 126.7 -6.5 -9.9 15.4 86 82 A I - 0 0 138 -2,-0.5 2,-0.2 2,-0.1 -2,-0.0 -0.981 48.4 -6.7-123.7 120.3 -9.4 -9.7 13.0 87 83 A G S S+ 0 0 62 -2,-0.5 -2,-0.0 2,-0.0 0, 0.0 -0.635 100.5 8.1 98.5-154.8 -9.1 -11.0 9.4 88 84 A A - 0 0 89 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.097 62.6-119.8 -71.4 153.2 -6.2 -12.4 7.4 89 85 A K - 0 0 150 1,-0.1 -50,-0.1 -50,-0.1 -1,-0.1 -0.772 39.7-101.1 -83.8 148.1 -2.6 -13.3 8.5 90 86 A P 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -53,-0.0 -0.281 360.0 360.0 -68.2 151.9 0.3 -11.4 6.8 91 87 A S 0 0 164 -2,-0.0 -52,-0.0 0, 0.0 -2,-0.0 0.903 360.0 360.0 -84.0 360.0 2.3 -13.1 4.1 92 ! 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 93 93 A P 0 0 173 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.7 6.7 -12.6 -8.4 94 94 A L - 0 0 182 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.351 360.0-178.9 -60.9 145.9 5.5 -9.5 -10.1 95 95 A I 0 0 154 -2,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.994 360.0 360.0-150.5 141.1 3.0 -10.2 -12.8 96 96 A F 0 0 273 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.674 360.0 360.0 -71.6 360.0 1.1 -8.1 -15.4