==== 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 HYDROLASE 28-JAN-10 3LLC . COMPND 2 MOLECULE: PUTATIVE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM VITIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 7.3 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 . 0 0.0 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 . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 0 0 0 2 1 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 6 A R 0 0 166 0, 0.0 26,-0.1 0, 0.0 59,-0.1 0.000 360.0 360.0 360.0 114.0 15.5 -15.5 -1.3 2 7 A P - 0 0 97 0, 0.0 23,-0.5 0, 0.0 2,-0.3 -0.257 360.0-101.1 -76.0 158.2 18.0 -16.4 1.5 3 8 A I E -A 24 0A 74 21,-0.1 2,-0.4 19,-0.1 21,-0.2 -0.641 40.9-159.9 -73.0 130.3 21.3 -14.8 2.4 4 9 A E E -A 23 0A 88 19,-2.8 19,-2.5 -2,-0.3 2,-0.4 -0.936 11.0-131.5-114.5 146.5 24.2 -16.9 1.0 5 10 A T E +A 22 0A 120 -2,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.779 30.1 173.8 -98.4 133.2 27.9 -16.8 2.1 6 11 A H E -A 21 0A 51 15,-2.4 15,-2.3 -2,-0.4 2,-0.4 -0.966 22.8-151.1-135.3 152.3 30.7 -16.5 -0.5 7 12 A A E -A 20 0A 77 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.998 16.0-166.5-123.7 130.1 34.5 -16.1 -0.5 8 13 A I E -A 19 0A 9 11,-2.5 11,-2.8 -2,-0.4 2,-0.4 -0.959 15.8-136.0-120.3 127.0 36.1 -14.3 -3.5 9 14 A T E -A 18 0A 102 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.657 24.0-173.2 -82.1 129.3 39.9 -14.3 -4.4 10 15 A V E +A 17 0A 4 7,-2.6 7,-2.2 -2,-0.4 79,-0.1 -0.983 45.1 4.4-125.5 130.4 41.2 -10.9 -5.4 11 16 A G S S- 0 0 18 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.074 75.4 -86.8 89.4 174.1 44.7 -10.2 -6.7 12 17 A Q S > S- 0 0 169 4,-0.1 3,-2.0 -3,-0.0 4,-0.1 -0.880 72.3 -20.6-124.5 152.7 47.8 -12.4 -7.6 13 18 A G G > S- 0 0 68 -2,-0.3 3,-1.7 1,-0.3 0, 0.0 -0.213 129.1 -4.4 57.1-132.6 50.7 -13.8 -5.7 14 19 A S G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.576 135.0 59.8 -74.8 -9.2 51.6 -12.1 -2.4 15 20 A D G < S+ 0 0 97 -3,-2.0 -1,-0.3 61,-0.0 -2,-0.2 0.454 78.8 117.7 -88.9 -5.2 48.9 -9.5 -3.1 16 21 A A < + 0 0 48 -3,-1.7 2,-0.3 -5,-0.2 -5,-0.2 -0.348 38.4 172.5 -64.3 140.0 46.1 -12.2 -3.2 17 22 A R E -A 10 0A 12 -7,-2.2 -7,-2.6 -6,-0.1 2,-0.5 -0.987 30.8-123.5-146.9 148.9 43.4 -11.8 -0.5 18 23 A S E -A 9 0A 67 -2,-0.3 57,-2.7 -9,-0.2 2,-0.5 -0.807 23.2-154.0 -94.8 126.5 40.1 -13.6 0.1 19 24 A I E -A 8 0A 1 -11,-2.8 -11,-2.5 -2,-0.5 2,-0.4 -0.863 8.4-140.3-104.3 125.2 37.0 -11.3 0.4 20 25 A A E -A 7 0A 20 -2,-0.5 47,-2.0 47,-0.3 2,-0.3 -0.697 26.0-178.9 -85.2 136.1 34.0 -12.4 2.5 21 26 A A E -AB 6 66A 1 -15,-2.3 -15,-2.4 -2,-0.4 2,-0.4 -0.975 23.7-154.8-139.7 148.4 30.5 -11.6 1.0 22 27 A L E -AB 5 65A 33 43,-2.4 43,-2.2 -2,-0.3 2,-0.4 -0.997 25.9-175.3-122.7 122.2 26.8 -12.0 1.9 23 28 A V E -AB 4 64A 13 -19,-2.5 -19,-2.8 -2,-0.4 2,-0.5 -0.946 21.2-166.9-132.1 138.6 24.4 -12.1 -1.1 24 29 A R E -AB 3 63A 42 39,-2.7 39,-2.2 -2,-0.4 -21,-0.1 -0.993 26.1-132.8-120.6 120.6 20.7 -12.3 -1.6 25 30 A A - 0 0 28 -23,-0.5 2,-0.1 -2,-0.5 4,-0.0 -0.427 26.5-106.5 -68.1 146.0 19.5 -13.1 -5.2 26 31 A P - 0 0 17 0, 0.0 35,-0.2 0, 0.0 3,-0.1 -0.391 25.9-118.8 -64.5 152.1 16.7 -11.0 -6.8 27 32 A A S S+ 0 0 28 33,-2.6 2,-0.3 1,-0.2 34,-0.1 0.778 105.1 22.3 -65.2 -28.3 13.3 -12.7 -7.0 28 33 A Q S > S- 0 0 110 32,-0.5 3,-1.8 1,-0.0 -1,-0.2 -0.993 83.5-126.1-137.8 140.7 13.6 -12.3 -10.8 29 34 A D T 3 S+ 0 0 117 -2,-0.3 71,-0.5 1,-0.3 33,-0.1 0.736 105.6 63.8 -60.0 -25.4 16.9 -11.8 -12.7 30 35 A E T 3 S+ 0 0 143 70,-0.1 -1,-0.3 69,-0.1 -3,-0.0 0.681 84.8 93.7 -71.9 -19.6 15.6 -8.6 -14.4 31 36 A R S < S- 0 0 95 -3,-1.8 70,-0.4 29,-0.1 69,-0.3 -0.396 83.7-102.6 -75.1 151.1 15.4 -6.8 -11.1 32 37 A P - 0 0 17 0, 0.0 30,-2.4 0, 0.0 2,-0.4 -0.182 23.5-133.7 -68.2 164.2 18.3 -4.7 -9.8 33 38 A T E -cd 62 102A 10 68,-1.8 70,-2.4 28,-0.2 2,-0.5 -0.994 12.7-140.5-116.7 125.8 20.8 -5.6 -7.2 34 39 A C E -cd 63 103A 1 28,-2.7 30,-2.6 -2,-0.4 2,-0.5 -0.757 17.2-160.4 -83.9 126.2 21.7 -3.1 -4.4 35 40 A I E -cd 64 104A 1 68,-2.7 70,-2.9 -2,-0.5 2,-0.4 -0.945 7.4-143.7-115.1 121.5 25.4 -3.1 -3.5 36 41 A W E - d 0 105A 13 28,-2.5 2,-0.5 -2,-0.5 30,-0.3 -0.660 13.4-173.4 -78.2 131.8 26.6 -1.8 -0.2 37 42 A L E - d 0 106A 0 68,-2.6 70,-2.6 -2,-0.4 73,-0.2 -0.945 21.6-155.2-124.8 108.5 30.0 0.1 -0.2 38 43 A G - 0 0 5 -2,-0.5 3,-0.1 28,-0.3 6,-0.1 -0.095 12.9 -92.2 -84.9 175.8 30.9 0.9 3.4 39 44 A G > - 0 0 10 70,-0.2 3,-2.1 1,-0.2 -1,-0.1 -0.236 55.2 -71.2 -77.3 171.5 33.0 3.5 5.3 40 45 A Y T 3 S+ 0 0 39 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 -0.401 123.4 7.5 -59.6 131.6 36.7 3.3 6.5 41 46 A R T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.1 31,-0.1 0.587 103.6 127.9 66.8 11.6 36.8 0.9 9.4 42 47 A S < - 0 0 38 -3,-2.1 2,-0.3 29,-0.1 -1,-0.2 -0.363 45.4-145.6 -86.2 174.2 33.2 -0.3 8.9 43 48 A D > - 0 0 70 28,-0.1 3,-1.7 -3,-0.1 6,-0.2 -0.946 25.9-110.7-140.3 164.5 31.9 -3.8 8.6 44 49 A X T 3 S+ 0 0 14 -2,-0.3 23,-0.1 1,-0.3 -8,-0.0 0.543 110.2 65.8 -73.7 -4.3 29.1 -5.4 6.7 45 50 A T T 3 S+ 0 0 89 4,-0.1 -1,-0.3 5,-0.0 5,-0.0 0.331 77.5 125.0 -93.1 4.5 27.0 -6.2 9.8 46 51 A G S <> S- 0 0 29 -3,-1.7 4,-2.5 1,-0.1 5,-0.2 -0.165 75.4-105.6 -61.9 157.8 26.5 -2.4 10.5 47 52 A T H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.883 117.3 46.4 -53.4 -50.3 23.0 -0.9 10.9 48 53 A K H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 113.2 50.3 -64.0 -41.8 22.8 1.0 7.5 49 54 A A H > S+ 0 0 1 1,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.913 110.9 48.5 -60.1 -46.2 24.1 -2.1 5.6 50 55 A L H X S+ 0 0 85 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.840 110.1 52.5 -64.1 -36.4 21.5 -4.4 7.3 51 56 A E H X S+ 0 0 61 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.878 107.0 51.8 -66.1 -41.2 18.8 -1.9 6.5 52 57 A X H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.950 112.1 47.0 -58.5 -52.0 19.7 -1.8 2.8 53 58 A D H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.888 111.6 50.7 -55.2 -44.1 19.5 -5.7 2.8 54 59 A D H X S+ 0 0 85 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 110.7 48.5 -63.4 -44.6 16.1 -5.6 4.6 55 60 A L H X S+ 0 0 3 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.950 111.7 50.3 -59.4 -49.9 14.7 -3.1 2.1 56 61 A A H >X>S+ 0 0 1 -4,-2.4 5,-2.3 1,-0.2 4,-0.8 0.929 109.5 51.1 -53.2 -50.2 15.9 -5.2 -0.8 57 62 A A H ><5S+ 0 0 39 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.875 108.1 52.4 -53.3 -42.5 14.4 -8.4 0.7 58 63 A S H 3<5S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 113.8 42.4 -69.8 -27.9 11.0 -6.7 1.1 59 64 A L H <<5S- 0 0 48 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.434 112.3-115.4 -97.3 -1.8 10.9 -5.5 -2.6 60 65 A G T <<5S+ 0 0 19 -4,-0.8 -33,-2.6 -3,-0.6 -32,-0.5 0.762 72.0 131.6 72.9 26.1 12.2 -8.8 -4.0 61 66 A V < - 0 0 5 -5,-2.3 -1,-0.3 -35,-0.2 -28,-0.2 -0.633 59.7 -91.0-107.0 167.1 15.4 -7.2 -5.3 62 67 A G E - c 0 33A 0 -30,-2.4 -28,-2.7 -2,-0.2 2,-0.3 -0.308 33.1-165.3 -75.3 158.1 19.1 -8.3 -5.0 63 68 A A E -Bc 24 34A 1 -39,-2.2 -39,-2.7 -30,-0.2 2,-0.4 -0.977 5.5-174.6-145.4 132.4 21.5 -7.3 -2.3 64 69 A I E +Bc 23 35A 2 -30,-2.6 -28,-2.5 -2,-0.3 2,-0.3 -0.996 7.1 171.3-123.4 128.0 25.3 -7.7 -2.1 65 70 A R E +B 22 0A 8 -43,-2.2 -43,-2.4 -2,-0.4 2,-0.3 -0.966 6.1 171.1-126.1 150.3 27.5 -6.8 1.0 66 71 A F E -B 21 0A 9 -2,-0.3 2,-0.5 -30,-0.3 -28,-0.3 -0.972 30.7-117.4-150.5 158.5 31.2 -7.5 1.4 67 72 A D - 0 0 7 -47,-2.0 -47,-0.3 -2,-0.3 8,-0.1 -0.882 31.0-123.6 -98.5 127.8 34.1 -6.7 3.9 68 73 A Y > - 0 0 6 -2,-0.5 3,-1.9 -26,-0.2 6,-0.3 -0.250 44.9 -82.5 -57.2 150.5 37.1 -4.7 2.6 69 74 A S T 3 S+ 0 0 0 1,-0.2 7,-0.2 16,-0.1 -1,-0.1 -0.359 122.0 27.6 -52.6 143.2 40.5 -6.4 3.0 70 75 A G T 3 S+ 0 0 25 5,-1.8 2,-0.3 6,-0.5 8,-0.3 0.363 110.2 92.7 81.5 -2.5 41.7 -5.7 6.6 71 76 A H S X S- 0 0 10 -3,-1.9 3,-1.8 4,-0.3 -1,-0.2 -0.890 88.2 -38.2-124.3 149.6 38.1 -5.4 7.9 72 77 A G T 3 S- 0 0 55 -2,-0.3 -29,-0.1 1,-0.2 -2,-0.1 -0.038 120.0 -7.5 46.0-125.5 35.6 -7.8 9.4 73 78 A A T 3 S+ 0 0 73 -53,-0.1 -1,-0.2 -4,-0.0 -52,-0.1 0.501 110.6 98.5 -88.6 -5.0 35.5 -11.3 8.0 74 79 A S < - 0 0 17 -3,-1.8 -55,-0.2 -6,-0.3 -6,-0.1 -0.277 69.6-116.2 -81.5 164.1 37.9 -10.7 5.1 75 80 A G + 0 0 32 -57,-2.7 -5,-1.8 -8,-0.1 -4,-0.3 -0.215 63.9 69.8 -82.8-177.5 41.6 -11.5 4.8 76 81 A G S S- 0 0 46 -7,-0.2 -6,-0.5 -6,-0.1 2,-0.3 0.219 81.3 -74.4 87.0 151.8 44.6 -9.1 4.4 77 82 A A > - 0 0 45 1,-0.1 3,-1.2 -8,-0.1 4,-0.4 -0.621 29.2-135.1 -80.8 137.3 46.3 -6.5 6.8 78 83 A F G > S+ 0 0 56 -2,-0.3 3,-1.9 -8,-0.3 -1,-0.1 0.913 105.4 58.7 -53.3 -42.8 44.5 -3.2 7.5 79 84 A R G 3 S+ 0 0 171 1,-0.3 -1,-0.2 -9,-0.1 103,-0.2 0.616 99.4 58.5 -69.5 -12.2 47.8 -1.3 7.0 80 85 A D G < S+ 0 0 71 -3,-1.2 -1,-0.3 102,-0.1 -2,-0.2 0.503 84.4 115.1 -88.8 -7.0 48.1 -2.7 3.4 81 86 A G < + 0 0 2 -3,-1.9 2,-0.3 -4,-0.4 99,-0.2 -0.350 35.6 162.5 -66.0 141.2 44.7 -1.1 2.5 82 87 A T > - 0 0 18 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.964 52.8-105.2-147.6 160.7 44.5 1.7 -0.1 83 88 A I H > S+ 0 0 0 -2,-0.3 4,-2.6 100,-0.2 5,-0.2 0.920 122.3 53.7 -52.6 -46.1 41.6 3.2 -2.2 84 89 A S H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 111.4 43.6 -57.0 -46.3 43.1 1.3 -5.2 85 90 A R H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 114.9 48.2 -67.4 -39.2 43.0 -2.1 -3.4 86 91 A W H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.876 112.3 49.5 -73.1 -33.5 39.5 -1.6 -1.9 87 92 A L H X S+ 0 0 5 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.912 107.3 55.0 -64.8 -45.3 38.2 -0.5 -5.3 88 93 A E H X S+ 0 0 89 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.874 109.0 48.8 -55.6 -39.1 39.8 -3.5 -6.9 89 94 A E H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.924 108.9 51.4 -67.6 -45.9 37.9 -5.7 -4.4 90 95 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.936 112.6 46.5 -56.6 -46.9 34.5 -3.9 -5.1 91 96 A L H X S+ 0 0 22 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.888 111.2 52.1 -65.1 -40.6 34.9 -4.5 -8.8 92 97 A A H X S+ 0 0 26 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.867 109.2 49.7 -62.4 -38.1 35.9 -8.1 -8.3 93 98 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 3,-0.4 0.955 112.3 47.5 -67.3 -46.1 32.8 -8.8 -6.2 94 99 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.922 112.5 49.3 -59.6 -44.0 30.6 -7.2 -8.8 95 100 A D H < S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.719 106.7 57.2 -69.3 -21.4 32.3 -9.2 -11.6 96 101 A H H < S+ 0 0 102 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.907 119.7 27.7 -72.7 -43.2 31.8 -12.4 -9.6 97 102 A F H < S- 0 0 53 -4,-1.7 -2,-0.2 -3,-0.1 -3,-0.1 0.722 87.3-159.3 -94.2 -26.7 28.0 -12.1 -9.3 98 103 A K < - 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