==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-DEC-10 3PY5 . COMPND 2 MOLECULE: BETA-LACTAMASE-LIKE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR ABORTUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 16.3 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 12 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 14.4 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+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 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 RESIDUES PER ALPHA HELIX . 2 0 3 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 0 PARALLEL BRIDGES PER LADDER . 3 0 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 3 A S 0 0 131 0, 0.0 2,-0.1 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 163.2 18.6 11.0 -41.0 2 4 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 47,-0.1 -0.363 360.0 170.5 -68.9 141.5 20.7 8.1 -39.7 3 5 A R + 0 0 117 45,-0.1 47,-0.2 1,-0.1 46,-0.2 -0.990 55.6 3.0-145.9 145.7 23.6 6.9 -41.9 4 6 A N S S+ 0 0 104 45,-1.8 266,-0.4 -2,-0.3 2,-0.3 0.868 106.0 90.8 50.5 53.7 26.5 4.5 -41.5 5 7 A C E S-A 48 0A 5 43,-1.6 43,-3.0 264,-0.2 2,-0.4 -0.972 75.3-109.6-161.9 164.7 25.6 3.5 -38.0 6 8 A L E -AB 47 268A 15 262,-2.4 262,-2.2 -2,-0.3 2,-0.4 -0.869 34.2-159.1 -97.9 143.8 23.9 1.2 -35.6 7 9 A R E -AB 46 267A 27 39,-2.6 39,-2.4 -2,-0.4 2,-0.4 -0.997 4.5-165.0-129.6 130.7 21.0 2.8 -33.8 8 10 A F E -AB 45 266A 0 258,-3.2 258,-2.2 -2,-0.4 2,-0.4 -0.961 2.9-169.7-118.7 136.2 19.6 1.6 -30.6 9 11 A T E -AB 44 265A 3 35,-1.9 35,-3.0 -2,-0.4 2,-1.4 -0.996 21.3-139.7-126.4 122.7 16.2 2.5 -29.0 10 12 A L E -AB 43 264A 4 254,-3.2 253,-3.0 -2,-0.4 254,-0.5 -0.706 25.0-179.6 -79.8 92.4 15.3 1.6 -25.5 11 13 A L E + 0 0 6 -2,-1.4 2,-0.3 31,-1.0 28,-0.2 0.812 68.1 4.7 -68.3 -33.4 11.6 0.7 -26.3 12 14 A G E +A 42 0A 0 30,-1.7 30,-1.6 -3,-0.1 -1,-0.3 -0.973 50.3 177.0-155.4 142.4 10.9 -0.2 -22.7 13 15 A C + 0 0 0 26,-0.4 227,-2.5 -2,-0.3 27,-0.2 0.130 49.4 108.5-130.3 13.3 12.8 -0.0 -19.5 14 16 A G B -gh 40 240B 0 25,-2.8 27,-0.7 225,-0.3 227,-0.2 -0.469 66.9-103.4 -92.4 168.2 10.3 -1.2 -16.8 15 17 A S > - 0 0 2 225,-1.0 3,-1.9 -2,-0.1 -1,-0.2 -0.114 58.0 -75.4 -73.0 174.6 9.8 -4.3 -14.7 16 18 A S T 3 S+ 0 0 63 1,-0.3 24,-0.1 223,-0.2 3,-0.1 0.780 132.0 41.3 -56.4 -32.3 7.1 -6.9 -15.5 17 19 A P T 3 S- 0 0 45 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.502 108.7-130.7 -91.7 1.6 4.0 -4.9 -14.4 18 20 A G < - 0 0 3 -3,-1.9 224,-0.2 21,-0.1 21,-0.2 -0.118 37.6 -51.2 77.0 173.4 5.3 -1.6 -15.9 19 21 A V B S+I 38 0C 3 19,-1.9 19,-2.6 222,-0.1 2,-0.2 -0.987 129.7 27.3-126.8 123.6 5.5 1.7 -14.1 20 22 A P S S- 0 0 26 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.667 102.3-122.6 -68.6 166.1 3.0 2.5 -12.8 21 23 A R > - 0 0 85 4,-2.4 3,-2.4 -2,-0.2 -3,-0.1 -0.323 36.3 -92.9 -65.8 168.8 1.5 -0.9 -12.1 22 24 A I T 3 S+ 0 0 180 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.0 0.768 127.4 60.0 -57.6 -27.7 -2.0 -1.5 -13.6 23 25 A N T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.188 124.1-101.3 -85.0 11.2 -3.5 -0.3 -10.3 24 26 A G S < S+ 0 0 45 -3,-2.4 2,-0.7 1,-0.2 -2,-0.2 0.524 70.1 153.3 79.5 10.6 -1.9 3.1 -10.6 25 27 A D + 0 0 60 1,-0.2 -4,-2.4 -4,-0.1 -1,-0.2 -0.615 19.1 175.5 -76.0 113.1 0.9 2.4 -8.2 26 28 A W > - 0 0 44 -2,-0.7 3,-2.3 1,-0.3 2,-0.2 0.451 22.6-159.4 -89.8 -6.9 4.0 4.5 -9.0 27 29 A G T 3 - 0 0 38 1,-0.3 -1,-0.3 216,-0.0 215,-0.1 -0.420 68.7 -22.5 61.9-127.7 5.9 3.3 -5.9 28 30 A K T 3 S+ 0 0 173 214,-1.9 -1,-0.3 -2,-0.2 2,-0.2 0.377 109.2 117.2 -95.2 7.0 8.6 5.8 -5.2 29 31 A C S < S- 0 0 5 -3,-2.3 -3,-0.1 213,-0.7 216,-0.1 -0.526 74.3-114.5 -78.5 139.5 8.7 7.2 -8.7 30 32 A D > - 0 0 69 -2,-0.2 3,-1.6 1,-0.2 6,-0.3 -0.597 22.5-155.9 -67.7 109.4 7.7 10.8 -9.3 31 33 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.681 89.0 63.7 -66.2 -13.9 4.5 10.5 -11.3 32 34 A K T 3 S+ 0 0 84 1,-0.1 -2,-0.0 4,-0.0 3,-0.0 0.638 84.5 83.2 -84.0 -13.9 5.1 14.0 -12.8 33 35 A N X - 0 0 40 -3,-1.6 3,-2.3 1,-0.1 4,-0.3 -0.831 69.6-153.1 -92.4 112.0 8.3 12.9 -14.6 34 36 A P G > S+ 0 0 106 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.741 90.1 71.0 -54.5 -27.0 7.4 11.3 -17.9 35 37 A K G 3 S+ 0 0 69 1,-0.3 227,-0.3 226,-0.1 -3,-0.0 0.657 89.4 61.6 -65.2 -17.9 10.6 9.3 -17.8 36 38 A N G < S+ 0 0 0 -3,-2.3 2,-0.7 -6,-0.3 -1,-0.3 0.560 77.2 97.1 -85.7 -8.8 9.2 7.2 -14.9 37 39 A R < - 0 0 148 -3,-1.8 2,-0.5 -4,-0.3 225,-0.4 -0.738 65.3-170.2 -81.0 115.6 6.4 5.9 -17.1 38 40 A R B -I 19 0C 7 -19,-2.6 -19,-1.9 -2,-0.7 2,-0.1 -0.947 20.0-160.5-124.6 122.9 7.8 2.6 -18.2 39 41 A R - 0 0 64 -2,-0.5 -25,-2.8 -28,-0.2 -26,-0.4 -0.429 48.6 -71.1 -82.5 170.2 6.8 0.0 -20.7 40 42 A R B -g 14 0B 60 -27,-0.2 -1,-0.2 -28,-0.2 -25,-0.1 -0.261 68.4 -77.5 -71.7 153.2 8.0 -3.6 -20.5 41 43 A A + 0 0 0 -27,-0.7 2,-0.3 -28,-0.1 -28,-0.2 -0.267 68.6 136.6 -69.0 126.8 11.6 -4.3 -21.4 42 44 A S E -A 12 0A 0 -30,-1.6 -30,-1.7 -3,-0.1 -31,-1.0 -0.967 33.5-150.0-163.2 154.3 12.6 -4.3 -25.1 43 45 A L E -AC 10 59A 0 16,-1.6 16,-3.0 -2,-0.3 2,-0.5 -0.990 7.5-148.0-135.0 130.2 15.4 -3.0 -27.3 44 46 A L E -AC 9 58A 0 -35,-3.0 -35,-1.9 -2,-0.4 2,-0.5 -0.854 15.3-166.0 -97.6 135.4 15.2 -2.0 -31.0 45 47 A V E +AC 8 57A 0 12,-3.2 12,-2.9 -2,-0.5 2,-0.4 -0.978 11.0 175.7-126.4 118.9 18.5 -2.6 -33.0 46 48 A E E -AC 7 56A 0 -39,-2.4 -39,-2.6 -2,-0.5 2,-0.5 -0.966 19.9-158.3-125.3 148.0 19.0 -1.0 -36.4 47 49 A R E -AC 6 55A 84 8,-2.2 8,-2.0 -2,-0.4 2,-0.4 -0.995 12.8-166.0-122.6 125.4 21.7 -0.8 -38.9 48 50 A Y E -AC 5 54A 19 -43,-3.0 -43,-1.6 -2,-0.5 6,-0.2 -0.929 5.4-153.5-108.3 133.9 21.8 2.0 -41.4 49 51 A D > - 0 0 42 4,-2.0 -45,-1.8 -2,-0.4 3,-0.9 -0.002 44.5 -77.3 -85.7-164.6 23.9 2.1 -44.6 50 52 A A T 3 S+ 0 0 47 1,-0.2 106,-0.0 -47,-0.2 -2,-0.0 0.757 131.6 45.2 -74.7 -20.6 25.3 5.1 -46.5 51 53 A E T 3 S- 0 0 141 2,-0.1 -1,-0.2 -48,-0.0 3,-0.1 0.412 120.3-103.2-100.8 4.1 22.0 5.8 -48.1 52 54 A G < + 0 0 22 -3,-0.9 2,-0.2 1,-0.3 -2,-0.1 0.620 69.0 149.3 83.6 11.5 19.9 5.4 -45.0 53 55 A N - 0 0 80 102,-0.2 -4,-2.0 103,-0.1 2,-0.3 -0.597 34.2-148.7 -71.8 140.2 18.5 1.9 -45.8 54 56 A N E -C 48 0A 24 -2,-0.2 101,-0.6 -6,-0.2 2,-0.4 -0.880 25.1-154.9-121.4 148.8 17.9 -0.0 -42.6 55 57 A T E -C 47 0A 0 -8,-2.0 -8,-2.2 -2,-0.3 2,-0.4 -0.955 28.4-160.6-104.7 134.5 18.0 -3.5 -41.1 56 58 A V E +C 46 0A 0 -2,-0.4 22,-2.6 -10,-0.2 23,-1.2 -0.976 16.3 171.7-130.1 125.6 15.7 -3.6 -38.1 57 59 A V E -Cd 45 79A 0 -12,-2.9 -12,-3.2 -2,-0.4 2,-0.4 -0.997 15.9-153.0-136.6 130.9 15.7 -6.2 -35.3 58 60 A V E -Cd 44 80A 0 21,-2.1 23,-3.0 -2,-0.4 2,-0.7 -0.874 9.7-142.8-102.4 141.1 13.7 -6.1 -32.1 59 61 A I E S-Cd 43 81A 0 -16,-3.0 -16,-1.6 -2,-0.4 23,-0.2 -0.937 74.3 -10.8-103.3 109.7 14.7 -7.8 -28.8 60 62 A D - 0 0 0 21,-2.4 2,-0.3 -2,-0.7 30,-0.2 0.539 59.3-134.7 74.9 142.9 11.6 -9.2 -27.2 61 63 A T + 0 0 0 28,-2.1 31,-2.4 -3,-0.1 32,-0.4 -0.711 36.7 168.3-125.3 78.5 7.9 -8.6 -28.1 62 64 A G > - 0 0 2 -2,-0.3 3,-2.1 29,-0.2 4,-0.3 -0.048 57.2 -77.2 -77.4-168.4 6.2 -7.9 -24.8 63 65 A P T 3 S+ 0 0 54 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.773 131.3 55.8 -66.2 -21.9 2.6 -6.5 -24.4 64 66 A D T 3> S+ 0 0 35 24,-0.2 4,-2.5 1,-0.2 5,-0.2 0.395 75.8 106.5 -88.0 1.4 3.9 -3.0 -25.2 65 67 A F H <> S+ 0 0 1 -3,-2.1 4,-2.7 1,-0.2 5,-0.3 0.882 74.7 51.4 -51.8 -48.5 5.4 -4.0 -28.5 66 68 A R H > S+ 0 0 139 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.936 115.6 40.2 -57.0 -50.1 2.8 -2.4 -30.8 67 69 A M H > S+ 0 0 67 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.861 112.7 57.1 -69.5 -33.7 3.0 1.0 -29.1 68 70 A Q H X S+ 0 0 3 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.940 111.1 42.0 -61.1 -46.1 6.7 0.7 -28.8 69 71 A M H X>S+ 0 0 5 -4,-2.7 4,-0.7 2,-0.2 5,-0.7 0.917 114.4 50.6 -69.5 -44.4 7.1 0.3 -32.5 70 72 A I H ><5S+ 0 0 80 -4,-2.4 3,-1.3 -5,-0.3 -2,-0.2 0.964 114.1 44.9 -53.2 -51.5 4.5 2.9 -33.4 71 73 A D H 3<5S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.1 65.4 -69.1 -24.6 6.3 5.5 -31.1 72 74 A S H 3<5S- 0 0 8 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.683 98.6-135.9 -67.7 -20.7 9.7 4.5 -32.5 73 75 A G T <<5 + 0 0 48 -3,-1.3 2,-0.6 -4,-0.7 -3,-0.1 0.522 66.5 124.8 74.4 3.6 8.7 5.9 -35.9 74 76 A V < - 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