==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-DEC-02 1J1I . COMPND 2 MOLECULE: META CLEAVAGE COMPOUND HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: JANTHINOBACTERIUM; . AUTHOR H.HABE,K.MORII,S.FUSHINOBU,J.W.NAM,Y.AYABE,T.YOSHIDA, . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 3 1 0 0 0 0 1 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 15 A A 0 0 106 0, 0.0 2,-0.3 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 -28.0 92.2 0.5 19.0 2 16 A Y - 0 0 46 17,-0.1 2,-0.3 2,-0.0 17,-0.2 -0.961 360.0-122.2-167.9 159.8 94.2 0.8 22.2 3 17 A V E -A 18 0A 76 15,-2.7 15,-2.6 -2,-0.3 2,-0.4 -0.872 21.1-123.3-116.2 149.4 96.1 3.4 24.2 4 18 A E E +A 17 0A 70 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.756 35.7 173.1 -92.7 134.0 99.8 3.4 25.3 5 19 A R E -A 16 0A 120 11,-2.9 11,-2.5 -2,-0.4 2,-0.3 -0.890 19.5-147.5-135.9 164.1 100.5 3.8 29.0 6 20 A F E +A 15 0A 99 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 15.3 176.6-135.1 146.9 103.4 3.7 31.4 7 21 A V E -A 14 0A 28 7,-2.0 7,-3.0 -2,-0.3 2,-0.9 -0.994 35.8-112.0-148.6 150.0 103.7 2.6 35.0 8 22 A N E -A 13 0A 91 -2,-0.3 2,-1.2 5,-0.2 5,-0.2 -0.742 30.5-165.1 -85.3 107.2 106.5 2.2 37.6 9 23 A A E > -A 12 0A 0 3,-2.5 3,-1.6 -2,-0.9 75,-0.2 -0.720 69.3 -50.7 -96.9 88.0 106.7 -1.6 38.2 10 24 A G T 3 S- 0 0 63 -2,-1.2 -1,-0.2 73,-0.3 3,-0.1 0.794 123.0 -32.9 55.9 31.9 108.8 -1.9 41.4 11 25 A G T 3 S+ 0 0 62 1,-0.2 2,-0.7 72,-0.1 -1,-0.3 0.217 121.5 99.7 111.1 -15.5 111.4 0.4 40.0 12 26 A V E < S-A 9 0A 29 -3,-1.6 -3,-2.5 68,-0.1 -1,-0.2 -0.910 70.7-135.1-109.1 109.8 111.2 -0.5 36.4 13 27 A E E -A 8 0A 84 -2,-0.7 53,-2.8 -5,-0.2 2,-0.4 -0.438 30.9-161.5 -60.1 133.1 109.2 1.9 34.2 14 28 A T E -A 7 0A 0 -7,-3.0 -7,-2.0 51,-0.2 2,-0.4 -0.967 13.6-145.9-128.9 137.5 107.0 -0.3 32.1 15 29 A R E +A 6 0A 4 -2,-0.4 43,-2.5 -9,-0.2 2,-0.3 -0.825 25.0 168.4-101.3 135.9 105.2 0.4 28.8 16 30 A Y E -AB 5 57A 19 -11,-2.5 -11,-2.9 -2,-0.4 2,-0.4 -0.953 30.1-130.4-142.7 162.2 101.8 -1.3 28.1 17 31 A L E -AB 4 56A 2 39,-2.1 39,-2.5 -2,-0.3 2,-0.4 -0.922 27.9-165.4-111.1 137.7 99.0 -1.1 25.6 18 32 A E E +AB 3 55A 37 -15,-2.6 -15,-2.7 -2,-0.4 2,-0.3 -0.979 18.8 148.6-132.9 143.4 95.4 -1.0 27.0 19 33 A A E + B 0 54A 13 35,-1.6 35,-3.4 -2,-0.4 -17,-0.1 -0.953 42.3 24.4-164.0 145.7 91.9 -1.5 25.5 20 34 A G - 0 0 34 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.118 63.5-100.9 90.4 173.7 88.6 -2.8 26.7 21 35 A K + 0 0 176 28,-0.6 2,-0.3 31,-0.3 33,-0.0 -0.933 68.0 43.4-137.2 157.8 86.7 -3.3 30.0 22 36 A G S S+ 0 0 54 -2,-0.3 30,-0.2 30,-0.2 29,-0.0 -0.796 95.3 15.8 111.5-154.6 86.1 -6.2 32.4 23 37 A Q S S- 0 0 125 28,-0.4 30,-2.3 -2,-0.3 2,-0.3 -0.308 84.5-110.3 -57.9 137.1 88.3 -9.0 33.7 24 38 A P E -c 53 0A 12 0, 0.0 71,-2.2 0, 0.0 2,-0.4 -0.571 33.9-176.3 -79.3 132.5 92.0 -8.2 33.1 25 39 A V E -cd 54 95A 1 28,-2.7 30,-3.1 -2,-0.3 2,-0.5 -0.995 11.1-153.7-128.4 122.6 94.0 -10.2 30.6 26 40 A I E -cd 55 96A 0 69,-3.1 71,-3.2 -2,-0.4 2,-0.5 -0.858 4.2-156.5-102.2 126.9 97.8 -9.5 30.2 27 41 A L E -cd 56 97A 0 28,-2.4 30,-1.7 -2,-0.5 2,-0.5 -0.873 5.8-162.6-102.8 130.4 99.4 -10.3 26.9 28 42 A I E -cd 57 98A 0 69,-3.6 71,-2.1 -2,-0.5 74,-0.2 -0.958 13.0-138.5-119.0 116.2 103.2 -11.0 26.9 29 43 A H - 0 0 0 28,-0.7 73,-0.2 -2,-0.5 8,-0.1 -0.057 23.1-105.0 -64.5 166.7 105.1 -10.8 23.6 30 44 A G - 0 0 1 1,-0.2 70,-0.2 6,-0.2 29,-0.1 -0.194 35.0 -94.9 -86.5-178.4 107.8 -13.2 22.5 31 45 A G + 0 0 16 68,-0.1 -1,-0.2 3,-0.0 5,-0.1 0.012 66.6 101.3 -81.2-164.8 111.6 -12.8 22.4 32 46 A G S > S- 0 0 21 143,-0.1 3,-2.0 3,-0.1 2,-0.1 0.056 80.7 -59.1 101.1 146.1 113.6 -11.8 19.4 33 47 A A T 3 S+ 0 0 5 1,-0.3 133,-0.3 29,-0.1 3,-0.1 -0.380 124.2 9.2 -62.3 129.1 115.1 -8.5 18.4 34 48 A G T 3 S+ 0 0 3 131,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.536 89.7 148.8 79.3 5.7 112.5 -5.8 18.1 35 49 A A < + 0 0 1 -3,-2.0 28,-0.6 130,-0.1 2,-0.3 -0.585 16.2 138.4 -77.5 132.2 109.8 -7.9 19.7 36 50 A E > - 0 0 2 -2,-0.3 4,-1.8 26,-0.1 5,-0.2 -0.950 61.5 -78.6-160.4 176.8 107.2 -5.9 21.6 37 51 A S H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.824 116.3 49.3 -55.4 -45.4 103.5 -5.5 22.4 38 52 A E H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.962 114.5 43.5 -64.5 -51.4 102.2 -3.6 19.3 39 53 A G H 4 S+ 0 0 26 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.830 119.3 44.7 -63.7 -32.9 103.8 -5.9 16.7 40 54 A N H < S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.866 128.3 21.1 -80.1 -36.6 102.9 -9.1 18.6 41 55 A W H >X S+ 0 0 1 -4,-2.4 4,-2.7 -5,-0.2 3,-1.6 0.393 79.8 117.0-118.4 5.7 99.3 -8.2 19.5 42 56 A R T 3< S+ 0 0 119 -4,-2.0 -1,-0.1 1,-0.3 -3,-0.1 0.853 88.9 33.9 -38.6 -57.8 98.0 -5.5 17.1 43 57 A N T 34 S+ 0 0 113 -4,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.514 118.8 52.9 -82.6 -6.2 95.3 -7.6 15.5 44 58 A V T <> S+ 0 0 0 -3,-1.6 4,-2.3 2,-0.1 3,-0.4 0.829 93.8 67.7 -95.6 -38.6 94.4 -9.6 18.6 45 59 A I H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.884 97.3 52.7 -48.8 -50.4 93.8 -6.8 21.1 46 60 A P H 4 S+ 0 0 40 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.894 111.2 47.3 -54.7 -44.7 90.6 -5.5 19.4 47 61 A I H >4 S+ 0 0 13 -3,-0.4 3,-1.1 -4,-0.4 4,-0.2 0.950 116.4 41.4 -64.2 -50.8 89.0 -8.9 19.4 48 62 A L H >X S+ 0 0 1 -4,-2.3 3,-2.3 1,-0.2 4,-1.7 0.885 105.7 65.7 -65.6 -37.3 89.8 -9.6 23.0 49 63 A A T 3< S+ 0 0 20 -4,-3.1 -28,-0.6 -5,-0.3 -1,-0.2 0.607 84.8 73.8 -62.0 -12.1 89.0 -6.1 24.1 50 64 A R T <4 S+ 0 0 169 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.715 117.4 16.6 -74.1 -17.3 85.3 -6.7 23.2 51 65 A H T <4 S+ 0 0 118 -3,-2.3 -28,-0.4 -4,-0.2 2,-0.3 0.528 126.7 33.3-130.4 -13.1 85.1 -8.9 26.3 52 66 A Y S < S- 0 0 35 -4,-1.7 2,-1.0 -30,-0.2 -31,-0.3 -0.919 79.9 -98.6-142.7 168.2 88.0 -8.1 28.6 53 67 A R E - c 0 24A 34 -30,-2.3 -28,-2.7 -2,-0.3 2,-0.5 -0.815 48.5-153.1 -87.5 106.7 90.4 -5.3 29.8 54 68 A V E -Bc 19 25A 1 -35,-3.4 -35,-1.6 -2,-1.0 2,-0.5 -0.743 17.4-177.7 -91.3 128.3 93.4 -6.1 27.6 55 69 A I E -Bc 18 26A 0 -30,-3.1 -28,-2.4 -2,-0.5 2,-0.8 -0.939 6.8-167.8-128.5 106.2 96.8 -5.2 28.8 56 70 A A E -Bc 17 27A 0 -39,-2.5 -39,-2.1 -2,-0.5 2,-0.4 -0.855 16.1-163.2 -98.0 108.3 99.8 -5.9 26.5 57 71 A M E -Bc 16 28A 0 -30,-1.7 -28,-0.7 -2,-0.8 2,-0.5 -0.760 16.7-134.2 -99.3 134.9 103.0 -5.4 28.5 58 72 A D - 0 0 0 -43,-2.5 -43,-0.2 -2,-0.4 3,-0.1 -0.718 33.0-123.2 -82.7 128.1 106.5 -5.0 27.2 59 73 A M > - 0 0 0 -2,-0.5 3,-2.7 1,-0.2 6,-0.3 -0.240 41.6 -71.2 -68.5 160.9 108.9 -7.3 29.1 60 74 A L T 3 S+ 0 0 3 1,-0.3 -1,-0.2 17,-0.2 7,-0.1 -0.275 124.1 13.5 -50.5 126.1 112.0 -6.0 30.9 61 75 A G T 3 S+ 0 0 1 5,-1.8 -1,-0.3 1,-0.3 2,-0.3 0.377 110.6 99.5 85.9 -5.0 114.5 -4.9 28.3 62 76 A F S X S- 0 0 4 -3,-2.7 3,-2.0 4,-0.2 -1,-0.3 -0.755 81.5 -21.0-115.3 163.5 112.1 -5.0 25.4 63 77 A G T 3 S- 0 0 5 -28,-0.6 -27,-0.1 -2,-0.3 -28,-0.0 -0.160 123.6 -24.1 47.5-121.4 110.1 -2.4 23.4 64 78 A K T 3 S+ 0 0 92 -49,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.341 106.7 113.3-104.1 4.0 109.6 0.8 25.4 65 79 A T S < S- 0 0 1 -3,-2.0 -51,-0.2 -6,-0.3 -6,-0.1 -0.412 81.1 -79.0 -73.8 154.9 110.0 -0.8 28.9 66 80 A A - 0 0 33 -53,-2.8 -5,-1.8 1,-0.1 -4,-0.2 -0.122 34.5-158.7 -56.4 147.5 113.1 0.2 30.9 67 81 A K - 0 0 54 -7,-0.1 -1,-0.1 -6,-0.1 -7,-0.0 -0.629 18.2-178.4-129.7 72.4 116.5 -1.3 30.2 68 82 A P - 0 0 45 0, 0.0 2,-1.8 0, 0.0 -56,-0.0 -0.223 42.3 -97.1 -69.4 162.0 118.6 -0.9 33.3 69 83 A D S S+ 0 0 144 2,-0.0 2,-0.2 3,-0.0 -2,-0.0 -0.605 81.4 117.1 -82.4 84.8 122.2 -2.0 33.5 70 84 A I S S- 0 0 41 -2,-1.8 2,-0.6 3,-0.0 107,-0.0 -0.815 75.9 -81.1-139.2 177.2 121.6 -5.4 35.1 71 85 A E - 0 0 128 -2,-0.2 2,-1.4 1,-0.1 5,-0.1 -0.780 42.7-139.8 -85.9 120.7 122.0 -9.1 34.5 72 86 A Y + 0 0 11 -2,-0.6 2,-0.2 105,-0.1 109,-0.2 -0.659 37.8 162.2 -86.5 87.8 119.0 -10.1 32.4 73 87 A T > - 0 0 18 -2,-1.4 4,-1.6 1,-0.1 5,-0.2 -0.610 53.6-114.8-101.6 164.0 118.0 -13.5 33.8 74 88 A Q H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.881 119.9 59.4 -64.2 -34.3 114.7 -15.3 33.5 75 89 A D H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 103.3 51.3 -59.2 -40.0 114.3 -14.8 37.2 76 90 A R H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 108.8 49.5 -67.4 -38.0 114.5 -11.0 36.6 77 91 A R H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.887 110.8 50.8 -68.7 -37.6 111.8 -11.1 33.9 78 92 A I H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.948 111.2 47.5 -63.4 -47.8 109.5 -13.2 36.2 79 93 A R H X S+ 0 0 131 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.897 110.2 54.0 -59.9 -41.0 110.0 -10.7 39.0 80 94 A H H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.935 108.4 47.2 -60.0 -48.0 109.3 -7.8 36.6 81 95 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.901 111.8 52.5 -60.9 -39.8 106.0 -9.3 35.5 82 96 A H H X S+ 0 0 36 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.939 111.6 45.6 -59.5 -47.6 105.1 -9.9 39.2 83 97 A D H X S+ 0 0 37 -4,-2.8 4,-2.8 2,-0.2 -73,-0.3 0.872 110.8 53.0 -65.2 -38.5 105.9 -6.2 40.0 84 98 A F H X S+ 0 0 0 -4,-2.7 4,-1.8 -75,-0.2 -1,-0.2 0.944 109.1 49.2 -62.7 -47.6 103.9 -5.0 36.9 85 99 A I H < S+ 0 0 8 -4,-2.5 3,-0.3 1,-0.2 5,-0.3 0.944 114.4 45.0 -56.6 -49.2 100.8 -6.9 38.0 86 100 A K H < S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 112.1 52.3 -61.9 -42.0 101.1 -5.6 41.5 87 101 A A H < S+ 0 0 43 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.760 97.5 83.5 -66.8 -27.0 101.7 -2.0 40.3 88 102 A M S < S- 0 0 12 -4,-1.8 2,-1.3 -3,-0.3 -81,-0.0 -0.316 94.0-106.7 -74.6 162.4 98.6 -2.2 38.0 89 103 A N + 0 0 109 -2,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.608 57.7 154.6 -93.5 77.4 95.1 -1.4 39.4 90 104 A F - 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