==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 31-MAY-06 2H6C . COMPND 2 MOLECULE: CHLOROPHENOL REDUCTION GENE K; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM DEHALOGENANS; . AUTHOR C.LEVY,D.LEYS . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 76.7 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 . 95 22.8 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 42 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 1 0 2 0 2 0 0 2 0 1 0 1 0 0 0 0 2 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 2 8 0 5 3 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 6 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 19 A F 0 0 117 0, 0.0 60,-0.4 0, 0.0 64,-0.3 0.000 360.0 360.0 360.0 -35.9 26.3 -12.4 -2.6 2 20 A F - 0 0 36 62,-0.1 63,-0.4 1,-0.1 59,-0.1 0.906 360.0-150.6 56.5 73.8 23.2 -14.5 -2.8 3 21 A P - 0 0 80 0, 0.0 61,-0.2 0, 0.0 60,-0.1 -0.311 20.6-167.1 -75.6 157.4 21.2 -13.1 -5.7 4 22 A I >> + 0 0 9 59,-1.1 3,-1.8 1,-0.1 4,-0.5 -0.611 13.5 170.1-135.6 72.4 17.4 -13.0 -6.1 5 23 A E H >> S+ 0 0 118 1,-0.2 3,-2.1 2,-0.2 4,-0.6 0.960 71.4 71.5 -38.1 -57.2 16.8 -12.0 -9.7 6 24 A K H 34 S+ 0 0 25 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.682 90.0 63.8 -49.1 -16.2 13.1 -12.8 -9.4 7 25 A L H X4 S+ 0 0 2 -3,-1.8 3,-3.1 1,-0.2 4,-0.5 0.869 79.5 73.9 -78.3 -38.6 12.7 -9.8 -7.2 8 26 A R H X< S+ 0 0 93 -3,-2.1 3,-1.3 -4,-0.5 4,-0.4 0.873 86.2 75.2 -32.6 -42.1 13.6 -7.0 -9.8 9 27 A N T 3< S+ 0 0 129 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.535 104.1 31.0 -52.3 -5.4 10.2 -8.0 -11.0 10 28 A Y T X> S+ 0 0 28 -3,-3.1 3,-2.8 2,-0.1 4,-0.5 0.368 75.8 107.6-138.0 1.6 8.6 -6.1 -8.1 11 29 A T G X4 S+ 0 0 17 -3,-1.3 3,-1.8 -4,-0.5 -2,-0.1 0.837 70.5 78.4 -62.3 -25.1 10.7 -3.1 -7.1 12 30 A D G 34 S+ 0 0 159 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.511 97.9 44.0 -59.5 -6.1 7.9 -1.1 -8.8 13 31 A M G <4 S+ 0 0 88 -3,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.469 105.5 70.8-110.1 -14.2 6.0 -1.7 -5.5 14 32 A G S << S- 0 0 17 -3,-1.8 2,-0.5 -4,-0.5 75,-0.2 -0.236 94.5 -95.0 -86.2-174.8 8.9 -1.0 -3.1 15 33 A I E -A 88 0A 90 73,-2.5 73,-3.6 -2,-0.1 2,-0.5 -0.914 35.9-135.9-104.4 134.6 10.4 2.5 -2.5 16 34 A I E +A 87 0A 79 -2,-0.5 2,-0.4 71,-0.2 71,-0.2 -0.765 25.6 175.7 -95.1 129.3 13.5 3.4 -4.5 17 35 A R E -A 86 0A 104 69,-2.2 69,-3.2 -2,-0.5 2,-0.4 -0.939 12.9-155.1-133.4 149.6 16.3 5.0 -2.8 18 36 A E E -A 85 0A 111 -2,-0.4 2,-0.4 67,-0.2 67,-0.2 -0.997 4.3-163.3-140.8 129.3 19.6 5.9 -4.3 19 37 A F E -A 84 0A 22 65,-2.3 65,-1.9 -2,-0.4 3,-0.1 -0.949 12.1-139.0-121.8 127.7 23.0 6.3 -2.6 20 38 A A > - 0 0 44 -2,-0.4 3,-1.9 63,-0.2 60,-0.3 -0.295 49.0 -72.3 -78.2 167.4 26.2 8.0 -3.9 21 39 A K T 3 S+ 0 0 164 1,-0.3 60,-0.2 60,-0.1 -1,-0.2 -0.315 125.0 19.6 -60.2 139.0 29.6 6.6 -3.3 22 40 A G T 3 S+ 0 0 54 58,-2.9 -1,-0.3 1,-0.3 59,-0.1 0.117 92.2 135.1 90.0 -27.1 30.6 7.1 0.3 23 41 A S < - 0 0 47 -3,-1.9 57,-1.9 56,-0.1 2,-0.5 -0.333 57.2-124.4 -65.2 136.3 26.9 7.6 1.4 24 42 A A E +D 79 0B 42 55,-0.2 55,-0.2 1,-0.2 3,-0.1 -0.700 31.3 173.8 -82.2 125.4 25.8 5.8 4.6 25 43 A I E S+ 0 0 14 53,-1.6 2,-0.4 -2,-0.5 54,-0.2 0.714 72.3 32.6-107.7 -30.2 22.8 3.7 3.9 26 44 A I E S-D 78 0B 17 52,-1.1 52,-0.8 6,-0.0 -1,-0.3 -0.999 79.2-150.6-124.0 138.1 22.5 1.9 7.2 27 45 A M - 0 0 116 -2,-0.4 3,-0.5 50,-0.2 49,-0.4 -0.792 22.8-102.8-105.1 143.5 23.6 3.7 10.3 28 46 A P S S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.169 103.8 16.8 -48.5 152.5 24.9 2.3 13.5 29 47 A G S S+ 0 0 67 1,-0.2 2,-0.3 47,-0.1 46,-0.1 0.864 95.5 131.2 46.7 54.3 22.4 2.2 16.4 30 48 A E - 0 0 49 -3,-0.5 2,-1.2 46,-0.1 46,-0.2 -0.993 61.6-118.0-140.2 145.2 19.4 2.5 14.2 31 49 A D - 0 0 101 -2,-0.3 2,-0.1 40,-0.1 -2,-0.0 -0.656 32.3-159.8 -93.4 91.5 16.1 0.5 14.1 32 50 A T + 0 0 34 -2,-1.2 3,-0.1 1,-0.1 -6,-0.0 -0.371 20.8 167.8 -70.9 142.9 15.8 -1.1 10.6 33 51 A T + 0 0 94 -2,-0.1 58,-0.5 1,-0.1 2,-0.4 0.093 48.7 71.7-143.9 26.6 12.4 -2.3 9.3 34 52 A S S S- 0 0 21 34,-0.8 56,-0.2 56,-0.1 2,-0.2 -0.993 71.6-120.8-146.7 137.7 12.7 -3.1 5.5 35 53 A M E -B 89 0A 3 54,-2.0 54,-2.9 -2,-0.4 2,-0.7 -0.519 33.7-143.6 -62.7 140.0 14.3 -5.6 3.3 36 54 A I E -BC 88 66A 0 30,-3.6 30,-2.3 52,-0.2 2,-0.5 -0.898 9.1-158.7-119.3 108.2 16.7 -3.7 1.0 37 55 A F E -BC 87 65A 0 50,-3.0 50,-3.1 -2,-0.7 2,-1.2 -0.735 10.9-143.6 -90.0 127.0 16.8 -5.1 -2.5 38 56 A L E +BC 86 64A 0 26,-2.6 25,-2.8 -2,-0.5 26,-0.7 -0.698 24.4 173.1 -98.3 90.6 20.0 -4.1 -4.1 39 57 A M E - 0 0 17 -2,-1.2 2,-0.2 46,-1.1 -1,-0.2 0.904 68.9 -5.9 -67.7 -45.1 19.1 -3.4 -7.8 40 58 A D E S+B 85 0A 93 45,-1.6 45,-2.7 -3,-0.2 2,-0.3 -0.781 102.7 31.1-160.8 130.0 22.5 -2.1 -8.7 41 59 A G S S- 0 0 4 43,-0.3 21,-0.4 -2,-0.2 2,-0.3 -0.992 74.4 -77.0 142.6-138.8 25.8 -1.2 -7.1 42 60 A K - 0 0 67 -2,-0.3 39,-2.7 40,-0.3 40,-0.8 -0.955 29.9-161.2-161.4 137.5 27.7 -2.5 -4.1 43 61 A I E -EF 60 80B 0 17,-2.5 17,-2.9 -2,-0.3 2,-0.4 -0.956 8.1-152.4-128.1 139.9 27.5 -2.1 -0.5 44 62 A K E -EF 59 79B 8 35,-2.0 35,-2.7 -2,-0.4 2,-0.5 -0.948 14.2-164.4-102.2 131.5 29.9 -2.7 2.4 45 63 A L E -EF 58 78B 3 13,-2.1 12,-2.0 -2,-0.4 13,-1.8 -0.980 5.0-170.9-120.1 117.4 28.3 -3.6 5.7 46 64 A D E -EF 56 77B 29 31,-1.8 31,-0.8 -2,-0.5 2,-0.3 -0.870 15.5-136.3-105.8 142.8 30.5 -3.4 8.8 47 65 A I E -EF 55 76B 0 8,-2.5 8,-0.6 -2,-0.4 2,-0.5 -0.732 9.6-152.1 -93.4 143.4 29.4 -4.6 12.2 48 66 A I E -E 54 0B 28 27,-2.3 27,-0.5 -2,-0.3 6,-0.2 -0.961 16.6-147.6-121.9 113.1 30.1 -2.5 15.3 49 67 A F > - 0 0 18 4,-2.1 3,-1.5 -2,-0.5 4,-0.2 -0.223 35.7 -89.3 -78.8 165.3 30.5 -4.6 18.5 50 68 A E T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.529 125.7 56.8 -49.1 -6.7 29.6 -3.7 22.1 51 69 A D T 3 S- 0 0 96 2,-0.2 -1,-0.3 3,-0.0 -2,-0.1 -0.164 114.6-107.7-125.4 37.5 33.1 -2.1 22.4 52 70 A G S < S+ 0 0 64 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.443 75.9 135.0 59.6 -1.4 33.0 0.4 19.5 53 71 A S - 0 0 48 -4,-0.2 -4,-2.1 1,-0.0 -2,-0.2 -0.694 43.4-150.7 -87.2 133.9 35.4 -1.7 17.5 54 72 A E E +E 48 0B 93 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.2 -0.337 19.3 170.3 -96.9 174.0 34.3 -2.0 13.8 55 73 A K E -E 47 0B 73 -8,-0.6 -8,-2.5 -2,-0.1 278,-0.1 -0.764 39.1 -90.4 174.9 139.6 35.0 -5.0 11.4 56 74 A L E +E 46 0B 78 -10,-0.2 -10,-0.2 -2,-0.2 3,-0.1 -0.247 34.8 175.0 -69.5 153.2 33.8 -6.0 8.0 57 75 A L E - 0 0 18 -12,-2.0 2,-0.3 1,-0.2 -11,-0.2 0.670 55.8 -42.4-126.6 -59.7 30.7 -8.1 7.7 58 76 A Y E -E 45 0B 51 -13,-1.8 -13,-2.1 2,-0.0 2,-0.3 -0.906 37.4-120.9-168.9 162.5 30.0 -8.4 4.0 59 77 A Y E -E 44 0B 107 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.690 29.1-159.8 -86.6 142.2 29.7 -6.8 0.7 60 78 A A E +E 43 0B 3 -17,-2.9 -17,-2.5 -2,-0.3 2,-0.2 -0.929 13.9 177.6-122.5 159.6 26.4 -7.0 -1.0 61 79 A G > - 0 0 0 -60,-0.4 3,-2.2 -2,-0.3 -23,-0.2 -0.576 39.7 -21.3-143.7-161.0 25.8 -6.6 -4.7 62 80 A S T 3 S+ 0 0 45 -21,-0.4 -23,-0.2 1,-0.3 -1,-0.2 -0.263 127.5 6.6 -66.0 138.5 23.4 -6.6 -7.5 63 81 A N T 3 S+ 0 0 13 -25,-2.8 -59,-1.1 1,-0.2 -1,-0.3 0.587 97.1 142.3 61.1 15.5 20.2 -8.5 -6.7 64 82 A S E < -C 38 0A 3 -3,-2.2 -26,-2.6 -26,-0.7 2,-0.5 -0.431 44.6-141.0 -82.2 161.7 21.4 -8.9 -3.1 65 83 A L E +C 37 0A 5 -63,-0.4 2,-0.3 -64,-0.3 -28,-0.2 -0.926 26.8 170.6-130.9 109.9 18.9 -8.8 -0.2 66 84 A I E +C 36 0A 2 -30,-2.3 -30,-3.6 -2,-0.5 -6,-0.0 -0.681 18.1 74.4-104.1 160.8 20.0 -7.1 2.9 67 85 A G - 0 0 15 -2,-0.3 2,-0.3 -32,-0.2 3,-0.1 0.385 63.3 -95.1 119.6 130.9 18.4 -6.0 6.0 68 86 A R - 0 0 15 1,-0.2 -34,-0.8 -33,-0.1 -2,-0.1 -0.530 24.3-179.3 -53.0 119.4 16.8 -6.5 9.4 69 87 A L S S+ 0 0 13 1,-0.3 -1,-0.2 -2,-0.3 22,-0.1 0.603 87.5 19.1 -84.7 -22.9 13.0 -6.7 8.9 70 88 A Y S S- 0 0 80 -3,-0.1 -1,-0.3 249,-0.1 -37,-0.1 -0.969 114.6 -74.2-137.5 147.7 13.1 -7.2 12.8 71 89 A P - 0 0 127 0, 0.0 2,-0.5 0, 0.0 -40,-0.1 -0.184 42.9-168.1 -51.0 125.9 16.0 -6.2 15.2 72 90 A T - 0 0 26 2,-0.2 2,-0.9 254,-0.0 -4,-0.1 -0.790 41.1-107.4-114.3 75.9 18.8 -8.7 14.9 73 91 A G S S+ 0 0 68 -2,-0.5 2,-0.4 1,-0.1 250,-0.0 0.451 86.6 113.3 6.5 36.9 21.2 -8.0 17.8 74 92 A N - 0 0 29 -2,-0.9 2,-0.7 -25,-0.0 -2,-0.2 -0.968 60.9-147.4-134.0 119.6 23.7 -6.4 15.4 75 93 A N - 0 0 57 -27,-0.5 -27,-2.3 -2,-0.4 2,-0.2 -0.764 33.3-172.5 -77.4 119.2 24.8 -2.8 15.1 76 94 A I E - F 0 47B 26 -2,-0.7 -29,-0.2 -49,-0.4 2,-0.1 -0.536 23.1-168.4-110.6 173.5 25.4 -2.4 11.4 77 95 A Y E - F 0 46B 65 -31,-0.8 -31,-1.8 -2,-0.2 2,-0.2 -0.547 13.9-171.6-163.3 94.1 26.9 0.3 9.3 78 96 A A E -DF 26 45B 0 -52,-0.8 -53,-1.6 -33,-0.2 -52,-1.1 -0.621 2.1-173.6-101.4 151.2 26.5 0.0 5.6 79 97 A T E -DF 24 44B 25 -35,-2.7 -35,-2.0 -2,-0.2 2,-0.5 -0.953 27.2-110.8-138.4 155.3 28.1 2.2 3.0 80 98 A A E - F 0 43B 4 -57,-1.9 -58,-2.9 -2,-0.3 -37,-0.2 -0.769 20.4-174.2 -90.7 127.2 27.9 2.6 -0.7 81 99 A M S S+ 0 0 66 -39,-2.7 2,-0.2 -2,-0.5 -1,-0.2 0.891 77.2 0.7 -78.1 -49.2 31.0 1.5 -2.7 82 100 A E S S- 0 0 92 -40,-0.8 2,-0.5 -61,-0.1 -40,-0.3 -0.660 108.6 -57.6-125.2-174.1 29.6 2.8 -6.0 83 101 A Q - 0 0 114 -2,-0.2 2,-0.4 -42,-0.1 -63,-0.2 -0.632 68.2-172.9 -69.0 123.5 26.5 4.5 -7.1 84 102 A T E -A 19 0A 0 -65,-1.9 -65,-2.3 -2,-0.5 2,-0.5 -0.965 21.5-154.7-132.7 135.4 23.9 2.1 -6.0 85 103 A R E -AB 18 40A 141 -45,-2.7 -45,-1.6 -2,-0.4 -46,-1.1 -0.953 19.7-174.5-113.5 122.8 20.1 1.9 -6.5 86 104 A T E -AB 17 38A 0 -69,-3.2 -69,-2.2 -2,-0.5 2,-0.4 -0.853 20.1-147.4-117.5 157.8 18.0 0.1 -3.9 87 105 A C E -AB 16 37A 0 -50,-3.1 -50,-3.0 -2,-0.3 2,-0.4 -0.995 19.2-146.6-118.0 126.2 14.4 -0.9 -3.6 88 106 A W E -AB 15 36A 28 -73,-3.6 -73,-2.5 -2,-0.4 2,-0.5 -0.732 10.1-160.5 -98.2 134.4 13.1 -0.9 -0.1 89 107 A F E - B 0 35A 1 -54,-2.9 -54,-2.0 -2,-0.4 2,-0.1 -0.955 2.7-156.1-120.8 116.3 10.5 -3.5 0.8 90 108 A S > - 0 0 45 -2,-0.5 4,-2.9 -56,-0.2 -56,-0.1 -0.418 31.2-113.4 -78.4 163.7 8.2 -3.2 3.8 91 109 A E H > S+ 0 0 64 -58,-0.5 4,-2.2 2,-0.2 3,-0.3 0.993 121.7 50.6 -51.3 -57.8 6.5 -6.0 5.5 92 110 A E H > S+ 0 0 74 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.886 112.9 46.4 -53.8 -44.3 3.2 -4.6 4.3 93 111 A C H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.919 107.9 57.2 -59.6 -43.6 4.6 -4.3 0.8 94 112 A L H X S+ 0 0 2 -4,-2.9 4,-1.9 -3,-0.3 -2,-0.2 0.921 100.2 57.9 -61.3 -43.5 6.0 -7.9 1.1 95 113 A R H X S+ 0 0 46 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.847 105.1 48.6 -50.0 -49.0 2.5 -9.4 1.8 96 114 A V H >X S+ 0 0 76 -4,-1.1 4,-2.1 -3,-0.4 3,-0.6 0.914 108.5 55.1 -58.5 -45.5 0.9 -8.1 -1.4 97 115 A I H 3X S+ 0 0 1 -4,-1.8 4,-1.4 1,-0.3 -1,-0.2 0.897 107.1 50.5 -54.9 -43.2 3.8 -9.4 -3.4 98 116 A F H 3< S+ 0 0 8 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.783 106.5 55.2 -69.4 -27.5 3.3 -12.8 -2.0 99 117 A R H << S+ 0 0 160 -4,-1.2 3,-0.2 -3,-0.6 -1,-0.2 0.865 109.9 43.9 -79.1 -37.2 -0.4 -12.8 -2.8 100 118 A T H < S+ 0 0 101 -4,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.834 135.8 15.4 -63.3 -35.0 0.1 -12.1 -6.4 101 119 A D >< - 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