==== 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 4ES3 . COMPND 2 MOLECULE: BH0342 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.KE,K.H.NAM . 84 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 76.2 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 . 11 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 32.1 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 0 179 0, 0.0 2,-0.3 0, 0.0 46,-0.3 0.000 360.0 360.0 360.0 22.2 -13.8 -0.2 -33.3 2 0 A M - 0 0 92 44,-0.1 2,-0.4 45,-0.1 44,-0.3 -0.718 360.0-157.5 -80.7 143.0 -13.3 -2.1 -30.1 3 1 A M E -A 45 0A 34 42,-3.3 42,-2.4 -2,-0.3 2,-0.5 -0.956 18.9-128.6-124.1 140.0 -10.1 -1.0 -28.3 4 2 A L E -A 44 0A 36 -2,-0.4 69,-2.8 40,-0.2 2,-0.4 -0.785 35.4-170.9 -77.0 126.7 -7.8 -2.6 -25.8 5 3 A V E -AB 43 72A 0 38,-3.0 38,-2.7 -2,-0.5 2,-0.5 -0.984 13.8-154.3-126.2 132.6 -7.5 -0.1 -23.0 6 4 A L E -AB 42 71A 40 65,-2.5 65,-3.1 -2,-0.4 2,-0.5 -0.905 10.3-167.4-107.3 130.0 -5.1 -0.3 -20.0 7 5 A I E -AB 41 70A 0 34,-2.6 34,-2.5 -2,-0.5 2,-0.5 -0.973 2.9-170.4-122.1 124.5 -6.1 1.5 -16.9 8 6 A T E -AB 40 69A 39 61,-2.3 61,-2.3 -2,-0.5 2,-0.6 -0.963 6.6-161.2-119.8 121.5 -3.5 2.1 -14.1 9 7 A Y E - B 0 68A 5 30,-2.6 2,-0.8 -2,-0.5 59,-0.2 -0.893 5.2-160.4-113.3 119.5 -4.8 3.4 -10.8 10 8 A D E + B 0 67A 111 57,-3.2 57,-1.5 -2,-0.6 2,-0.4 -0.846 30.9 149.8-101.2 104.1 -2.5 5.0 -8.2 11 9 A V - 0 0 17 -2,-0.8 2,-0.8 55,-0.2 55,-0.1 -0.997 49.1-120.9-139.8 138.2 -4.1 5.0 -4.8 12 10 A Q > - 0 0 131 -2,-0.4 3,-0.7 1,-0.1 6,-0.2 -0.705 25.7-176.6 -78.6 109.8 -2.8 4.8 -1.2 13 11 A T T 3 + 0 0 60 -2,-0.8 -1,-0.1 1,-0.2 6,-0.1 0.377 64.5 92.0 -91.0 4.4 -4.5 1.7 0.3 14 12 A S T 3 S+ 0 0 99 4,-0.1 2,-0.3 5,-0.0 -1,-0.2 0.704 83.4 63.9 -68.3 -20.3 -3.0 2.3 3.7 15 13 A S S <> S- 0 0 40 -3,-0.7 4,-1.9 1,-0.1 5,-0.1 -0.767 86.8-128.6-102.9 152.6 -6.2 4.2 4.5 16 14 A M H > S+ 0 0 171 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.804 110.5 53.8 -69.6 -28.9 -9.7 2.6 4.6 17 15 A G H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 109.9 45.5 -70.2 -43.4 -11.0 5.3 2.2 18 16 A G H > S+ 0 0 0 -6,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.824 111.8 54.5 -67.0 -33.0 -8.3 4.6 -0.4 19 17 A T H X S+ 0 0 54 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.922 110.5 45.1 -61.8 -46.8 -9.0 0.9 0.1 20 18 A K H X S+ 0 0 103 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.865 109.2 55.2 -67.3 -39.0 -12.7 1.5 -0.7 21 19 A R H X S+ 0 0 35 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.896 107.8 50.2 -61.3 -40.7 -11.9 3.7 -3.7 22 20 A L H X S+ 0 0 10 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.938 109.9 50.1 -62.9 -44.3 -9.8 0.8 -5.1 23 21 A R H X S+ 0 0 152 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.913 113.2 46.5 -59.8 -40.9 -12.7 -1.6 -4.6 24 22 A K H X S+ 0 0 106 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.889 113.6 47.7 -67.3 -41.9 -15.1 0.8 -6.3 25 23 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.917 111.3 51.2 -65.1 -43.1 -12.7 1.4 -9.2 26 24 A A H X S+ 0 0 2 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.917 110.2 49.3 -59.2 -44.0 -12.1 -2.3 -9.6 27 25 A K H X S+ 0 0 152 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.900 111.5 49.4 -64.8 -39.6 -15.9 -3.0 -9.7 28 26 A A H >< S+ 0 0 4 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.932 114.9 43.1 -63.4 -46.2 -16.3 -0.2 -12.3 29 27 A C H >X S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 4,-0.9 0.792 104.5 64.1 -71.8 -29.0 -13.5 -1.6 -14.6 30 28 A Q H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.674 89.7 67.7 -75.0 -12.8 -14.6 -5.2 -14.2 31 29 A N T << S+ 0 0 114 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.730 116.8 26.2 -68.5 -23.9 -17.9 -4.4 -15.9 32 30 A Y T <4 S- 0 0 39 -3,-1.4 12,-1.4 -4,-0.3 2,-0.3 0.405 132.2 -29.5-118.5 -4.1 -15.8 -3.8 -19.1 33 31 A G E < S-C 43 0A 30 -4,-0.9 2,-0.4 10,-0.2 10,-0.3 -0.851 74.3 -41.7-178.9-149.2 -12.7 -6.0 -18.4 34 32 A Q E -C 42 0A 117 8,-2.8 8,-2.6 -2,-0.3 2,-0.8 -0.910 28.9-134.2-125.5 137.4 -10.2 -7.7 -16.2 35 33 A R E +C 41 0A 81 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.809 29.4 173.7 -84.8 109.4 -8.2 -6.9 -13.1 36 34 A V E + 0 0 25 4,-2.1 2,-0.3 -2,-0.8 5,-0.2 0.722 67.5 7.0 -95.6 -24.9 -4.7 -8.1 -14.1 37 35 A Q E > S-C 40 0A 104 3,-1.5 3,-1.2 49,-0.1 -1,-0.2 -0.874 100.1 -78.3-141.4 175.5 -2.9 -6.8 -11.1 38 36 A N T 3 S+ 0 0 100 -2,-0.3 -12,-0.1 1,-0.3 -3,-0.0 0.845 128.2 8.7 -44.2 -46.5 -4.1 -5.1 -7.8 39 37 A S T 3 S+ 0 0 36 -4,-0.0 -30,-2.6 -14,-0.0 2,-0.4 0.010 109.9 94.7-130.7 29.7 -4.6 -1.8 -9.5 40 38 A V E < -AC 8 37A 21 -3,-1.2 -4,-2.1 -32,-0.2 -3,-1.5 -0.985 49.6-172.0-124.6 133.6 -4.2 -2.5 -13.2 41 39 A F E -AC 7 35A 0 -34,-2.5 -34,-2.6 -2,-0.4 2,-0.5 -0.960 16.5-156.6-130.9 140.8 -7.1 -3.2 -15.6 42 40 A E E +AC 6 34A 53 -8,-2.6 -8,-2.8 -2,-0.4 2,-0.4 -0.975 22.4 178.5-117.0 114.7 -7.4 -4.4 -19.2 43 41 A C E -AC 5 33A 0 -38,-2.7 -38,-3.0 -2,-0.5 2,-0.7 -0.948 24.1-150.1-121.4 138.2 -10.7 -3.5 -20.8 44 42 A I E +A 4 0A 109 -12,-1.4 2,-0.3 -2,-0.4 -40,-0.2 -0.935 41.0 154.5-108.8 109.9 -11.9 -4.1 -24.3 45 43 A V E -A 3 0A 0 -42,-2.4 -42,-3.3 -2,-0.7 2,-0.1 -0.908 41.0-130.2-139.1 152.5 -14.3 -1.2 -25.1 46 44 A D > - 0 0 36 -2,-0.3 4,-2.4 -44,-0.3 5,-0.2 -0.368 48.8 -90.0 -90.3-178.0 -15.8 0.8 -27.9 47 45 A S H > S+ 0 0 69 -46,-0.3 4,-2.4 1,-0.2 5,-0.2 0.889 126.3 50.4 -63.3 -40.1 -15.8 4.6 -27.8 48 46 A T H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 111.9 47.5 -65.7 -42.8 -19.2 4.9 -26.1 49 47 A Q H > S+ 0 0 70 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.903 111.1 51.7 -64.6 -41.5 -18.1 2.4 -23.3 50 48 A L H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.922 109.4 49.3 -63.8 -41.6 -14.8 4.3 -22.8 51 49 A T H X S+ 0 0 97 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.948 114.5 46.0 -59.8 -48.7 -16.6 7.6 -22.4 52 50 A S H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 115.1 46.0 -59.7 -47.2 -19.0 6.0 -19.9 53 51 A L H X S+ 0 0 1 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.931 112.0 50.4 -66.3 -45.0 -16.2 4.3 -18.0 54 52 A K H X S+ 0 0 126 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.906 111.5 49.2 -58.6 -41.6 -13.9 7.4 -17.9 55 53 A L H X S+ 0 0 128 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.934 112.5 47.4 -65.0 -43.5 -16.8 9.5 -16.6 56 54 A E H >X S+ 0 0 76 -4,-2.3 4,-0.8 1,-0.2 3,-0.7 0.912 110.8 51.3 -62.9 -44.5 -17.6 6.9 -13.9 57 55 A L H >X S+ 0 0 4 -4,-2.9 4,-1.8 1,-0.2 3,-0.8 0.884 103.6 59.2 -61.6 -39.2 -13.9 6.6 -12.9 58 56 A T H 3< S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.813 106.4 47.6 -59.2 -31.0 -13.8 10.4 -12.5 59 57 A S H << S+ 0 0 93 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.675 112.5 50.2 -82.9 -17.4 -16.5 10.3 -9.9 60 58 A L H << S+ 0 0 37 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.1 0.765 96.6 73.1 -95.0 -29.6 -14.9 7.5 -7.9 61 59 A I S < S- 0 0 30 -4,-1.8 2,-0.8 -37,-0.1 -50,-0.0 -0.346 82.1-116.7 -84.8 165.3 -11.3 8.6 -7.5 62 60 A D >> - 0 0 51 1,-0.1 4,-3.4 -2,-0.1 3,-1.6 -0.908 26.5-158.9 -96.9 104.6 -9.9 11.4 -5.2 63 61 A E T 34 S+ 0 0 137 -2,-0.8 -1,-0.1 1,-0.3 5,-0.1 0.558 87.7 50.9 -68.1 -5.9 -8.6 13.8 -7.8 64 62 A E T 34 S+ 0 0 183 3,-0.0 -1,-0.3 -3,-0.0 3,-0.1 0.610 124.9 21.8-101.8 -17.9 -6.3 15.4 -5.3 65 63 A K T <4 S+ 0 0 134 -3,-1.6 -2,-0.2 -53,-0.0 2,-0.2 0.677 118.1 52.8-121.1 -35.7 -4.7 12.2 -3.9 66 64 A D < - 0 0 13 -4,-3.4 2,-0.3 -55,-0.1 -55,-0.2 -0.519 60.5-159.0 -98.4 168.3 -5.1 9.5 -6.5 67 65 A S E -B 10 0A 57 -57,-1.5 -57,-3.2 -2,-0.2 2,-0.4 -0.987 0.8-162.4-143.1 152.3 -4.2 9.4 -10.2 68 66 A L E -B 9 0A 42 -2,-0.3 2,-0.4 -59,-0.2 -59,-0.2 -1.000 3.4-161.1-134.5 132.9 -5.5 7.3 -13.1 69 67 A R E -B 8 0A 149 -61,-2.3 -61,-2.3 -2,-0.4 2,-0.5 -0.948 2.9-159.2-114.6 140.7 -3.8 6.7 -16.5 70 68 A I E -B 7 0A 58 -2,-0.4 2,-0.5 -63,-0.2 -63,-0.2 -0.970 6.3-168.0-122.8 115.3 -5.6 5.4 -19.5 71 69 A Y E -B 6 0A 92 -65,-3.1 -65,-2.5 -2,-0.5 2,-0.7 -0.907 11.0-149.5-104.4 124.1 -3.6 3.9 -22.4 72 70 A R E B 5 0A 168 -2,-0.5 -67,-0.2 -67,-0.2 -2,-0.0 -0.836 360.0 360.0 -91.6 120.3 -5.2 3.2 -25.7 73 71 A L 0 0 77 -69,-2.8 -1,-0.2 -2,-0.7 -68,-0.2 0.771 360.0 360.0-110.8 360.0 -3.6 0.2 -27.3 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 74 A N 0 0 207 0, 0.0 -72,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.5 -6.4 -4.3 -33.0 76 75 A Y 0 0 144 2,-0.0 -73,-0.1 0, 0.0 0, 0.0 0.602 360.0 360.0-129.3 360.0 -3.7 -5.3 -30.5 77 ! 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 78 78 A K 0 0 190 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 155.2 2.5 -7.7 -26.7 79 79 A V - 0 0 96 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.976 360.0-166.0-132.2 131.9 2.4 -8.3 -23.0 80 80 A E - 0 0 153 -2,-0.4 2,-0.5 2,-0.0 0, 0.0 -0.939 5.9-156.9-119.6 141.8 4.7 -10.3 -20.6 81 81 A H - 0 0 85 -2,-0.4 2,-0.4 2,-0.0 4,-0.0 -0.979 11.4-177.9-120.5 125.1 3.9 -11.3 -17.0 82 82 A I + 0 0 161 -2,-0.5 2,-0.2 2,-0.1 -2,-0.0 -0.941 48.7 9.1-122.4 139.8 6.7 -12.1 -14.6 83 83 A G S S+ 0 0 58 -2,-0.4 -2,-0.0 2,-0.0 0, 0.0 -0.537 104.2 10.4 94.7-158.8 6.3 -13.2 -11.0 84 84 A A - 0 0 91 -2,-0.2 -2,-0.1 1,-0.1 0, 0.0 -0.159 67.9-123.1 -62.2 144.6 3.2 -14.4 -9.1 85 85 A K 0 0 171 1,-0.2 -1,-0.1 -4,-0.0 -48,-0.1 -0.793 360.0 360.0 -86.2 127.0 -0.1 -15.0 -10.9 86 86 A P 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -49,-0.1 0.893 360.0 360.0 -72.2 360.0 -2.7 -12.8 -9.3