==== 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 3PY6 . COMPND 2 MOLECULE: BETA-LACTAMASE-LIKE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS BIOVAR ABORTUS 230 . 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) . 11824.0 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 . 43 15.9 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 . 13 4.8 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 1 0 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 0 125 0, 0.0 2,-0.1 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0 144.7 18.1 10.5 -41.2 2 4 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 47,-0.1 -0.421 360.0-178.6 -70.9 150.6 20.7 8.1 -39.7 3 5 A R + 0 0 115 45,-0.1 47,-0.2 1,-0.1 46,-0.2 -0.992 55.0 2.0-145.9 146.5 23.5 6.9 -41.9 4 6 A N S S+ 0 0 100 45,-1.6 266,-0.5 -2,-0.3 2,-0.3 0.883 105.3 90.7 48.3 54.7 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 -0.980 75.6-109.8-161.1 164.1 25.7 3.5 -38.0 6 8 A L E -AB 47 268A 18 262,-2.4 262,-2.4 -2,-0.3 2,-0.4 -0.871 34.9-159.6 -94.4 142.4 23.9 1.2 -35.6 7 9 A R E -AB 46 267A 27 39,-2.6 39,-2.3 -2,-0.4 2,-0.4 -0.997 4.3-164.7-128.4 131.6 21.0 2.8 -33.8 8 10 A F E -AB 45 266A 0 258,-3.0 258,-2.2 -2,-0.4 2,-0.4 -0.944 2.8-169.5-118.3 135.5 19.6 1.5 -30.5 9 11 A T E -AB 44 265A 4 35,-2.0 35,-3.0 -2,-0.4 2,-1.4 -0.996 21.5-139.0-126.8 122.7 16.3 2.5 -29.0 10 12 A L E -A 43 0A 4 254,-3.3 253,-3.0 -2,-0.4 254,-0.5 -0.686 25.3-179.8 -78.2 93.4 15.3 1.6 -25.5 11 13 A L E + 0 0 7 -2,-1.4 2,-0.3 31,-0.9 28,-0.2 0.837 68.0 5.0 -67.8 -36.7 11.7 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 -0.979 50.4 177.1-151.1 143.1 10.9 -0.2 -22.7 13 15 A C + 0 0 0 26,-0.5 227,-2.6 -2,-0.3 27,-0.2 0.134 49.4 108.8-130.3 14.4 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 -0.458 66.7-104.0 -92.9 168.0 10.3 -1.2 -16.8 15 17 A S > - 0 0 2 225,-1.0 3,-1.9 -2,-0.1 -1,-0.1 -0.121 57.8 -75.9 -72.5 175.4 9.8 -4.3 -14.7 16 18 A S T 3 S+ 0 0 63 1,-0.3 24,-0.1 223,-0.1 3,-0.1 0.795 131.8 41.7 -56.9 -33.7 7.1 -6.9 -15.5 17 19 A P T 3 S- 0 0 43 0, 0.0 -1,-0.3 0, 0.0 5,-0.2 0.519 108.4-130.8 -90.5 2.4 4.0 -4.9 -14.3 18 20 A G < - 0 0 3 -3,-1.9 224,-0.2 3,-0.1 21,-0.2 -0.097 37.7 -51.6 76.0 174.2 5.3 -1.6 -15.9 19 21 A V B S+I 38 0C 3 19,-2.0 19,-2.5 222,-0.1 2,-0.2 -0.991 129.6 27.6-127.7 123.4 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 0.675 101.9-123.2 -69.4 165.8 3.0 2.6 -12.8 21 23 A R > - 0 0 84 4,-2.3 3,-2.2 -2,-0.2 -3,-0.1 -0.331 36.2 -93.5 -63.3 167.8 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 0.759 127.0 60.7 -57.5 -26.3 -2.0 -1.5 -13.6 23 25 A N T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.199 124.1-101.8 -85.1 10.2 -3.6 -0.3 -10.3 24 26 A G < + 0 0 44 -3,-2.2 2,-0.7 1,-0.2 -2,-0.2 0.546 69.9 153.2 80.1 10.8 -1.9 3.1 -10.6 25 27 A D + 0 0 61 1,-0.2 -4,-2.3 -4,-0.1 -1,-0.2 -0.639 19.5 176.0 -76.8 113.1 0.9 2.4 -8.1 26 28 A W > - 0 0 45 -2,-0.7 3,-2.3 1,-0.3 2,-0.2 0.462 22.8-158.6 -90.2 -4.9 4.0 4.5 -8.9 27 29 A G T 3 - 0 0 37 1,-0.3 -1,-0.3 216,-0.0 215,-0.1 -0.429 69.0 -23.0 61.5-127.7 5.9 3.3 -5.9 28 30 A K T 3 S+ 0 0 175 214,-1.9 -1,-0.3 -2,-0.2 2,-0.2 0.370 109.1 117.8 -96.3 7.6 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 -0.525 73.9-114.7 -78.6 140.1 8.6 7.2 -8.7 30 32 A D > - 0 0 70 -2,-0.2 3,-1.6 1,-0.2 6,-0.3 -0.603 22.5-155.3 -68.8 110.5 7.7 10.9 -9.3 31 33 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.674 88.9 64.3 -66.7 -14.1 4.5 10.6 -11.3 32 34 A K T 3 S+ 0 0 83 1,-0.0 3,-0.1 4,-0.0 -2,-0.0 0.629 84.2 82.9 -81.4 -15.4 5.1 14.0 -12.8 33 35 A N X - 0 0 38 -3,-1.6 3,-2.2 1,-0.2 4,-0.3 -0.827 69.3-153.6 -93.8 113.0 8.3 12.9 -14.6 34 36 A P G > S+ 0 0 107 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.756 90.1 71.0 -56.7 -27.3 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 0.681 89.6 61.9 -63.4 -18.3 10.6 9.3 -17.8 36 38 A N G < S+ 0 0 0 -3,-2.2 2,-0.7 -6,-0.3 -1,-0.3 0.540 77.2 96.9 -83.1 -9.4 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 -0.755 65.6-169.9 -80.9 115.2 6.3 5.9 -17.1 38 40 A R B -I 19 0C 7 -19,-2.5 -19,-2.0 -2,-0.7 2,-0.1 -0.946 19.8-160.1-123.3 124.6 7.8 2.6 -18.1 39 41 A R - 0 0 64 -2,-0.5 -25,-2.8 -28,-0.2 -26,-0.5 -0.420 48.3 -72.2 -83.7 168.1 6.8 0.0 -20.7 40 42 A R B -g 14 0B 59 -27,-0.2 -1,-0.2 -28,-0.2 -25,-0.1 -0.260 68.4 -76.3 -70.9 154.0 8.0 -3.6 -20.5 41 43 A A + 0 0 1 -27,-0.7 2,-0.3 -28,-0.1 -28,-0.2 -0.268 68.7 136.2 -68.7 125.5 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,-0.9 -0.970 33.1-150.9-162.7 150.4 12.6 -4.3 -25.1 43 45 A L E -AC 10 59A 0 16,-1.5 16,-2.9 -2,-0.3 2,-0.5 -0.991 8.1-147.8-130.5 131.5 15.4 -3.0 -27.3 44 46 A L E -AC 9 58A 0 -35,-3.0 -35,-2.0 -2,-0.4 2,-0.5 -0.871 14.7-165.9 -97.1 134.8 15.3 -2.0 -31.0 45 47 A V E +AC 8 57A 0 12,-3.2 12,-3.0 -2,-0.5 2,-0.4 -0.978 11.1 175.5-124.6 119.6 18.5 -2.6 -33.0 46 48 A E E -AC 7 56A 0 -39,-2.3 -39,-2.6 -2,-0.5 2,-0.4 -0.963 19.7-158.0-125.4 147.1 19.0 -1.0 -36.4 47 49 A R E -AC 6 55A 81 8,-2.1 8,-2.0 -2,-0.4 2,-0.4 -0.994 13.5-166.0-120.3 125.8 21.8 -0.8 -38.9 48 50 A Y E -AC 5 54A 18 -43,-3.0 -43,-1.6 -2,-0.4 6,-0.2 -0.910 5.3-152.7-109.4 134.3 21.8 2.0 -41.4 49 51 A D > - 0 0 42 4,-2.1 -45,-1.6 -2,-0.4 3,-1.0 -0.068 43.7 -78.4 -86.2-168.2 24.0 2.1 -44.6 50 52 A A T 3 S+ 0 0 46 1,-0.2 106,-0.0 -47,-0.2 -2,-0.0 0.749 131.5 45.1 -68.2 -23.8 25.3 5.1 -46.5 51 53 A E T 3 S- 0 0 140 2,-0.1 -1,-0.2 -48,-0.0 -48,-0.1 0.384 120.7-103.1-100.6 4.4 22.0 5.8 -48.2 52 54 A G < + 0 0 22 -3,-1.0 2,-0.2 1,-0.3 -2,-0.1 0.608 68.8 149.0 83.5 12.3 19.9 5.3 -45.0 53 55 A N - 0 0 80 102,-0.2 -4,-2.1 103,-0.0 2,-0.3 -0.587 33.9-149.3 -71.6 142.2 18.6 1.8 -45.8 54 56 A N E -C 48 0A 26 -6,-0.2 101,-0.6 -2,-0.2 2,-0.4 -0.911 25.4-154.9-125.9 144.2 18.0 -0.0 -42.5 55 57 A T E -C 47 0A 0 -8,-2.0 -8,-2.1 -2,-0.3 2,-0.4 -0.949 28.4-160.7-100.1 133.8 18.0 -3.6 -41.1 56 58 A V E +C 46 0A 0 -2,-0.4 22,-2.7 -10,-0.2 23,-1.1 -0.977 15.7 172.8-129.5 123.7 15.7 -3.6 -38.1 57 59 A V E -Cd 45 79A 0 -12,-3.0 -12,-3.2 -2,-0.4 2,-0.4 -0.996 15.8-152.7-132.4 131.7 15.7 -6.2 -35.3 58 60 A V E -Cd 44 80A 0 21,-2.1 23,-2.9 -2,-0.4 2,-0.7 -0.876 9.3-143.7-102.2 139.3 13.6 -6.1 -32.0 59 61 A I E S-Cd 43 81A 0 -16,-2.9 -16,-1.5 -2,-0.4 23,-0.2 -0.942 74.7 -10.6-101.9 107.6 14.8 -7.8 -28.8 60 62 A D - 0 0 0 21,-2.5 2,-0.3 -2,-0.7 30,-0.2 0.529 59.7-134.6 76.2 143.1 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 -0.731 36.8 168.5-126.4 79.0 7.9 -8.6 -28.1 62 64 A G > - 0 0 1 -2,-0.3 3,-2.0 29,-0.2 4,-0.3 -0.073 57.3 -77.0 -78.7-170.7 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 0.780 131.6 55.6 -64.2 -23.7 2.6 -6.5 -24.4 64 66 A D T 3> S+ 0 0 35 24,-0.2 4,-2.7 1,-0.2 5,-0.2 0.397 75.6 107.2 -86.0 1.2 3.9 -3.0 -25.2 65 67 A F H <> S+ 0 0 2 -3,-2.0 4,-2.9 1,-0.2 5,-0.3 0.877 75.2 50.8 -50.7 -49.9 5.4 -4.0 -28.5 66 68 A R H > S+ 0 0 140 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.941 115.7 40.2 -57.7 -50.4 2.8 -2.4 -30.8 67 69 A M H > S+ 0 0 68 -4,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.863 113.0 57.1 -68.2 -34.6 3.0 1.0 -29.1 68 70 A Q H X S+ 0 0 3 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.939 111.1 41.9 -59.4 -48.3 6.8 0.7 -28.8 69 71 A M H X>S+ 0 0 5 -4,-2.9 4,-0.7 -5,-0.2 5,-0.7 0.915 114.4 50.8 -68.9 -42.9 7.1 0.3 -32.5 70 72 A I H ><5S+ 0 0 82 -4,-2.5 3,-1.2 -5,-0.3 -2,-0.2 0.953 113.7 44.9 -54.9 -51.0 4.5 3.0 -33.4 71 73 A D H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 103.3 65.6 -69.3 -24.5 6.3 5.5 -31.2 72 74 A S H 3<5S- 0 0 9 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.679 98.4-135.9 -68.0 -20.3 9.7 4.5 -32.5 73 75 A G T <<5 + 0 0 49 -3,-1.2 2,-0.6 -4,-0.7 -3,-0.1 0.478 66.2 125.3 73.5 2.6 8.8 5.9 -35.9 74 76 A V < - 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