==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-SEP-12 4H7H . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOBIUM; . AUTHOR M.OKAI,J.OHTSUKA,L.F.IMAI,T.MASE,R.MORIUCHI,M.TSUDA,K.NAGATA . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 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 . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 1 0 1 1 1 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 2 A S 0 0 104 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.5 23.5 -31.2 -7.3 2 3 A L + 0 0 84 276,-0.1 2,-0.1 274,-0.0 3,-0.1 0.095 360.0 148.0 -81.4-152.8 20.0 -32.1 -8.2 3 4 A G - 0 0 33 1,-0.1 43,-0.1 -2,-0.0 42,-0.0 -0.327 51.5-121.0 127.7 148.5 17.3 -32.4 -5.5 4 5 A A S S+ 0 0 31 -2,-0.1 -1,-0.1 2,-0.1 184,-0.1 0.520 75.2 110.3 -95.4 -9.5 13.6 -31.9 -4.9 5 6 A K S S- 0 0 167 1,-0.1 180,-0.0 -3,-0.1 179,-0.0 -0.444 70.2-118.5 -71.8 136.8 14.0 -29.3 -2.1 6 7 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.258 27.2-111.3 -65.2 159.5 13.0 -25.7 -2.8 7 8 A F S S- 0 0 41 34,-0.1 38,-0.1 2,-0.0 39,-0.1 -0.805 73.2 -30.5 -90.8 137.2 15.7 -22.9 -2.5 8 9 A G S S- 0 0 42 -2,-0.4 2,-0.4 37,-0.1 15,-0.1 0.100 92.3 -53.2 53.0-162.4 15.1 -20.6 0.4 9 10 A E - 0 0 121 15,-0.1 15,-0.5 13,-0.0 2,-0.2 -0.914 51.0-109.6-117.7 139.3 11.8 -19.6 1.9 10 11 A K E -A 23 0A 54 -2,-0.4 2,-0.3 13,-0.1 13,-0.2 -0.476 33.6-167.5 -69.6 127.4 8.7 -18.2 0.2 11 12 A K E -A 22 0A 67 11,-3.5 11,-2.9 -2,-0.2 2,-0.3 -0.850 5.7-149.8-110.1 155.3 8.0 -14.5 0.9 12 13 A F E +A 21 0A 99 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.916 14.5 177.9-128.8 150.9 4.8 -12.7 0.1 13 14 A I E -A 20 0A 47 7,-1.9 7,-2.4 -2,-0.3 2,-0.4 -0.985 31.7-112.1-154.7 141.8 3.9 -9.2 -0.8 14 15 A E E +A 19 0A 121 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.652 36.8 172.3 -84.0 128.5 0.7 -7.4 -1.8 15 16 A I E > -A 18 0A 11 3,-3.7 3,-1.5 -2,-0.4 76,-0.1 -0.982 68.0 -17.6-141.1 117.4 0.5 -6.1 -5.3 16 17 A K T 3 S- 0 0 114 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.829 129.6 -49.0 56.4 37.6 -2.6 -4.6 -7.0 17 18 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.579 123.7 94.5 79.3 12.4 -4.8 -6.1 -4.3 18 19 A R E < S-A 15 0A 48 -3,-1.5 -3,-3.7 -5,-0.1 2,-0.4 -0.970 74.2-117.2-133.5 149.9 -3.3 -9.6 -4.6 19 20 A R E -A 14 0A 128 -2,-0.3 50,-2.7 -5,-0.2 2,-0.4 -0.695 27.4-165.8 -83.9 136.1 -0.5 -11.5 -2.8 20 21 A M E -A 13 0A 0 -7,-2.4 -7,-1.9 -2,-0.4 2,-0.3 -0.969 10.2-140.7-121.2 140.5 2.5 -12.5 -4.9 21 22 A A E +A 12 0A 0 -2,-0.4 40,-2.9 40,-0.4 2,-0.3 -0.796 27.0 161.7-104.0 144.1 5.1 -15.0 -3.7 22 23 A Y E -AB 11 60A 25 -11,-2.9 -11,-3.5 -2,-0.3 2,-0.4 -0.989 36.6-123.4-156.9 156.0 8.8 -14.8 -4.2 23 24 A I E +AB 10 59A 4 36,-2.7 36,-2.0 -2,-0.3 2,-0.3 -0.892 30.7 171.9 -98.9 134.3 12.2 -16.0 -3.1 24 25 A D E + B 0 58A 22 -15,-0.5 2,-0.4 -2,-0.4 34,-0.2 -0.784 8.0 164.6-149.0 100.2 14.6 -13.3 -1.9 25 26 A E E + B 0 57A 58 32,-2.9 32,-3.5 -2,-0.3 30,-0.1 -0.960 39.1 1.4-125.6 135.9 17.8 -14.5 -0.3 26 27 A G S S- 0 0 54 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.202 74.6 -74.3 89.8-176.0 21.1 -12.7 0.5 27 28 A T S S+ 0 0 126 28,-0.3 2,-0.3 29,-0.1 -2,-0.0 -0.850 73.7 35.6-125.8 156.3 22.5 -9.2 0.0 28 29 A G S S- 0 0 53 -2,-0.3 27,-0.1 27,-0.2 26,-0.1 -0.712 96.5 -1.1 108.8-156.7 23.8 -6.9 -2.7 29 30 A D S S- 0 0 66 -2,-0.3 27,-1.6 25,-0.2 72,-0.1 -0.470 83.4-101.7 -74.2 141.1 22.8 -6.5 -6.3 30 31 A P E -c 56 0A 1 0, 0.0 72,-2.5 0, 0.0 2,-0.5 -0.311 20.7-162.0 -66.8 139.9 20.0 -8.8 -7.5 31 32 A I E -cd 57 102A 0 25,-2.9 27,-2.5 70,-0.2 2,-0.6 -0.997 28.6-158.7-110.7 113.5 20.4 -11.9 -9.6 32 33 A L E -cd 58 103A 0 70,-3.7 72,-3.2 -2,-0.5 2,-0.5 -0.882 11.0-165.2-116.0 112.9 16.9 -12.2 -10.8 33 34 A F E -cd 59 104A 0 25,-3.3 27,-0.8 -2,-0.6 2,-0.5 -0.851 3.3-168.4-105.7 123.7 15.5 -15.5 -12.0 34 35 A Q E -cd 60 105A 0 70,-2.9 72,-1.2 -2,-0.5 75,-0.2 -0.914 3.2-160.7-123.6 111.4 12.3 -15.6 -13.9 35 36 A H - 0 0 0 -2,-0.5 6,-0.1 25,-0.5 2,-0.1 -0.214 9.3-159.8 -70.3 165.1 10.4 -18.8 -14.7 36 37 A G > + 0 0 0 72,-0.2 3,-1.2 4,-0.2 -1,-0.1 -0.180 40.3 5.0-120.5-139.8 7.8 -19.2 -17.4 37 38 A N T 3 S- 0 0 1 1,-0.3 -1,-0.1 -2,-0.1 71,-0.1 -0.729 122.3 -5.1 -92.5 139.2 5.0 -21.5 -18.3 38 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.593 118.0 78.2-100.0 44.1 3.9 -23.8 -16.6 39 40 A T < - 0 0 2 -3,-1.2 27,-0.3 26,-0.1 2,-0.3 -0.035 54.1-150.8-103.2-159.9 6.6 -23.5 -13.9 40 41 A S > - 0 0 8 25,-0.1 3,-2.4 -3,-0.1 4,-0.3 -0.886 53.1 -64.5-151.9-173.4 7.4 -21.4 -10.9 41 42 A S G > S+ 0 0 2 1,-0.3 3,-2.2 -2,-0.3 4,-0.2 0.811 122.0 78.4 -44.9 -33.9 10.4 -20.1 -8.8 42 43 A Y G > S+ 0 0 20 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.782 75.7 73.5 -48.5 -33.2 10.8 -23.9 -8.1 43 44 A L G < S+ 0 0 2 -3,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.795 98.9 45.7 -52.6 -29.3 12.4 -24.2 -11.6 44 45 A W G X> S+ 0 0 0 -3,-2.2 4,-2.7 -4,-0.3 3,-1.8 0.364 76.2 112.0 -98.9 5.6 15.6 -22.5 -10.3 45 46 A R T <4 S+ 0 0 6 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.772 84.6 37.8 -56.0 -35.3 16.0 -24.4 -7.0 46 47 A N T 34 S+ 0 0 18 -3,-0.3 -1,-0.3 -4,-0.2 236,-0.2 0.387 119.3 49.8 -97.0 0.5 19.2 -26.3 -8.0 47 48 A I T X4 S+ 0 0 1 -3,-1.8 3,-1.5 2,-0.1 4,-0.4 0.796 96.6 64.5-102.7 -41.0 20.6 -23.4 -9.9 48 49 A M G >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 -2,-0.1 0.779 91.6 65.6 -55.9 -33.5 20.3 -20.5 -7.4 49 50 A P G > S+ 0 0 55 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.715 89.8 65.6 -63.2 -25.1 22.8 -22.1 -4.9 50 51 A H G < S+ 0 0 54 -3,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.673 99.7 53.1 -68.1 -20.6 25.7 -21.7 -7.3 51 52 A C G X S+ 0 0 0 -3,-1.3 3,-2.5 -4,-0.4 4,-0.4 0.241 77.8 146.4 -97.3 10.6 25.3 -17.9 -7.0 52 53 A A T < S+ 0 0 67 -3,-1.4 4,-0.1 1,-0.3 -26,-0.1 -0.251 76.1 5.3 -48.9 126.0 25.4 -18.1 -3.1 53 54 A G T 3 S+ 0 0 81 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.439 101.9 100.9 79.1 0.6 27.1 -14.8 -2.0 54 55 A L S < S- 0 0 41 -3,-2.5 2,-0.3 1,-0.2 -25,-0.2 0.438 97.2 -55.0 -98.0 -1.1 27.4 -13.2 -5.4 55 56 A G S S- 0 0 5 -4,-0.4 2,-0.6 -27,-0.1 -2,-0.4 -0.971 83.2 -32.7 160.4-166.4 24.3 -11.0 -4.7 56 57 A R E - c 0 30A 41 -27,-1.6 -25,-2.9 -2,-0.3 2,-0.6 -0.752 58.2-145.5 -84.8 115.9 20.7 -10.8 -3.7 57 58 A L E +Bc 25 31A 6 -32,-3.5 -32,-2.9 -2,-0.6 2,-0.4 -0.778 24.6 175.8 -97.7 115.0 19.1 -14.0 -5.1 58 59 A I E +Bc 24 32A 0 -27,-2.5 -25,-3.3 -2,-0.6 2,-0.3 -0.958 17.5 171.8-128.3 131.1 15.5 -13.5 -6.3 59 60 A A E -Bc 23 33A 0 -36,-2.0 -36,-2.7 -2,-0.4 2,-0.3 -0.912 18.0-159.6-141.0 113.2 12.9 -15.7 -8.0 60 61 A C E -Bc 22 34A 0 -27,-0.8 2,-0.7 -2,-0.3 -25,-0.5 -0.698 15.6-131.6 -95.3 142.5 9.3 -14.5 -8.3 61 62 A D - 0 0 0 -40,-2.9 -40,-0.4 -2,-0.3 3,-0.1 -0.850 31.7-123.5 -87.7 113.1 6.1 -16.5 -8.9 62 63 A L > - 0 0 1 -2,-0.7 3,-2.5 1,-0.1 6,-0.3 -0.119 45.3 -75.5 -47.9 150.4 4.1 -14.9 -11.8 63 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.1 21,-0.2 -1,-0.1 -0.242 123.1 15.2 -52.7 134.1 0.5 -14.0 -11.0 64 65 A G T 3 S+ 0 0 0 5,-1.8 -1,-0.3 1,-0.3 2,-0.3 0.462 114.2 91.7 78.0 2.6 -1.6 -17.2 -10.8 65 66 A M S X S- 0 0 0 -3,-2.5 3,-2.6 4,-0.2 -1,-0.3 -0.778 84.5 -6.4-124.3 168.0 1.5 -19.4 -10.6 66 67 A G T 3 S- 0 0 11 -27,-0.3 -26,-0.1 1,-0.3 -44,-0.1 -0.208 129.9 -26.3 48.1-127.5 3.5 -21.0 -7.8 67 68 A D T 3 S+ 0 0 67 -46,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.188 108.6 117.1-101.0 14.2 2.3 -19.6 -4.5 68 69 A S S < S- 0 0 7 -3,-2.6 -48,-0.2 -6,-0.3 -6,-0.1 -0.564 74.3 -94.1 -81.3 149.9 1.0 -16.3 -6.1 69 70 A D - 0 0 56 -50,-2.7 -5,-1.8 -2,-0.2 -4,-0.2 -0.224 35.8-116.0 -61.0 146.3 -2.7 -15.6 -5.8 70 71 A K - 0 0 52 -7,-0.1 2,-0.3 -6,-0.1 -51,-0.1 -0.443 33.1-106.1 -71.7 153.8 -5.1 -16.5 -8.6 71 72 A L - 0 0 0 127,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.692 40.2-122.1 -76.2 137.4 -6.8 -13.7 -10.5 72 73 A D S S+ 0 0 107 -2,-0.3 2,-0.1 1,-0.3 3,-0.0 -0.998 96.3 26.6-131.0 127.8 -10.5 -13.4 -9.5 73 74 A P S S- 0 0 108 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.556 89.3-167.4 -77.1 137.4 -12.7 -13.6 -11.6 74 75 A S + 0 0 25 -3,-0.2 124,-0.1 -2,-0.1 125,-0.1 -0.649 23.2 134.7 -86.8 148.8 -10.5 -15.8 -13.9 75 76 A G > - 0 0 13 -2,-0.3 3,-1.9 123,-0.1 -4,-0.0 -0.956 68.3 -61.6-174.5-175.6 -11.7 -16.4 -17.5 76 77 A P T 3 S+ 0 0 91 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.628 128.4 51.3 -62.6 -15.4 -10.5 -16.4 -21.2 77 78 A E T 3 S+ 0 0 169 3,-0.0 3,-0.4 2,-0.0 2,-0.2 0.443 94.8 90.0-100.2 -3.5 -9.5 -12.7 -21.1 78 79 A R S < S+ 0 0 51 -3,-1.9 -4,-0.1 1,-0.2 127,-0.0 -0.546 74.7 34.0 -88.8 161.3 -7.4 -13.0 -18.0 79 80 A Y S S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.784 73.4 159.1 65.8 33.6 -3.7 -13.7 -17.8 80 81 A T > - 0 0 44 -3,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.326 58.0-103.8 -68.6 165.1 -2.7 -12.0 -21.0 81 82 A Y H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.910 124.1 53.3 -57.1 -44.9 1.0 -10.9 -21.3 82 83 A A H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.869 109.6 49.8 -59.6 -37.9 0.0 -7.3 -20.6 83 84 A E H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.947 111.7 45.8 -65.6 -50.4 -1.7 -8.4 -17.4 84 85 A H H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -21,-0.2 0.880 112.2 53.5 -57.0 -43.5 1.3 -10.5 -16.2 85 86 A R H X S+ 0 0 56 -4,-3.0 4,-3.3 2,-0.2 5,-0.3 0.884 104.6 53.7 -61.2 -42.2 3.6 -7.6 -17.0 86 87 A D H X S+ 0 0 87 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.924 114.4 41.6 -55.3 -47.0 1.5 -5.2 -14.9 87 88 A Y H X S+ 0 0 15 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.912 118.0 46.3 -68.5 -42.5 1.8 -7.5 -11.9 88 89 A L H X S+ 0 0 3 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.941 110.7 50.8 -69.0 -46.7 5.5 -8.3 -12.5 89 90 A D H X S+ 0 0 38 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.925 113.9 46.8 -51.6 -47.6 6.6 -4.6 -13.2 90 91 A A H X S+ 0 0 35 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.910 112.7 48.7 -66.0 -41.1 4.8 -3.6 -9.9 91 92 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.932 111.8 48.5 -60.9 -48.2 6.4 -6.5 -8.0 92 93 A W H <>S+ 0 0 1 -4,-2.9 5,-0.6 1,-0.2 4,-0.3 0.866 112.0 50.4 -62.5 -38.4 9.9 -5.8 -9.3 93 94 A E H ><5S+ 0 0 130 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.2 0.941 108.3 51.3 -59.4 -52.4 9.4 -2.1 -8.4 94 95 A A H 3<5S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.766 101.2 64.7 -59.2 -26.2 8.3 -3.0 -4.8 95 96 A L T 3<5S- 0 0 7 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.569 100.3-132.4 -80.5 -8.0 11.4 -5.1 -4.4 96 97 A D T < 5 + 0 0 133 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.982 34.5 175.5 57.7 63.7 13.8 -2.2 -4.6 97 98 A L < - 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