==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAY-11 3S0Z . COMPND 2 MOLECULE: METALLO-BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.GUO,J.WANG,G.J.NIU,W.Q.SHUI,Y.N.SUN,Z.Y.LOU,Z.H.RAO . 440 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 0 2 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 5 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 . 3 2 2 4 2 1 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 2 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 47 A G 0 0 47 0, 0.0 18,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -26.8 13.5 -1.6 2.5 2 48 A D - 0 0 115 16,-0.6 2,-0.3 52,-0.0 16,-0.3 -0.201 360.0-131.3-114.7-174.9 15.1 -0.4 5.7 3 49 A L - 0 0 14 14,-0.2 2,-0.3 -2,-0.1 14,-0.2 -0.992 11.3-173.4-152.0 131.6 14.4 1.4 9.0 4 50 A V E -A 16 0A 77 12,-1.5 12,-2.9 -2,-0.3 2,-0.4 -0.936 8.1-156.9-132.8 151.3 15.9 4.2 11.2 5 51 A F E -A 15 0A 39 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.987 5.3-172.3-131.7 123.4 15.1 5.5 14.7 6 52 A R - 0 0 171 8,-1.0 8,-0.1 -2,-0.4 9,-0.1 -0.750 24.3-138.1-121.8 88.2 15.9 8.9 16.1 7 53 A Q + 0 0 91 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.172 31.2 170.2 -41.9 116.1 15.1 9.1 19.8 8 54 A L - 0 0 56 4,-1.6 -1,-0.2 1,-0.3 5,-0.1 -0.055 57.5 -4.8-131.4 31.9 13.4 12.5 20.1 9 55 A A S > S- 0 0 23 3,-0.5 3,-1.5 145,-0.0 2,-0.4 -0.690 87.9 -71.7 160.8 161.1 12.1 12.5 23.6 10 56 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.618 124.8 13.5 -71.6 124.1 11.6 10.3 26.7 11 57 A N T 3 S+ 0 0 62 -2,-0.4 24,-1.2 1,-0.1 2,-0.4 0.086 116.3 93.7 101.3 -19.8 8.9 7.8 25.7 12 58 A V E < + B 0 34A 1 -3,-1.5 -4,-1.6 22,-0.2 -3,-0.5 -0.924 44.7 177.3-129.5 125.5 9.1 8.7 22.0 13 59 A W E - B 0 33A 55 20,-2.4 20,-2.5 -2,-0.4 2,-0.4 -0.900 25.3-128.5-118.5 147.7 11.0 7.4 19.0 14 60 A Q E - B 0 32A 14 -2,-0.3 -8,-1.0 18,-0.2 2,-0.6 -0.829 14.7-143.2 -96.0 140.6 10.9 8.5 15.4 15 61 A H E +AB 5 31A 2 16,-2.4 16,-0.9 -2,-0.4 2,-0.3 -0.902 22.1 172.1-101.2 112.5 10.3 6.1 12.6 16 62 A T E +A 4 0A 15 -12,-2.9 -12,-1.5 -2,-0.6 2,-0.2 -0.779 3.7 174.8-101.3 158.5 12.1 6.7 9.3 17 63 A S - 0 0 0 12,-0.5 2,-0.3 -2,-0.3 -14,-0.2 -0.685 18.5-139.9-169.8 114.9 11.9 4.1 6.5 18 64 A Y + 0 0 111 -16,-0.3 -16,-0.6 -2,-0.2 2,-0.3 -0.602 27.2 154.2 -95.9 132.4 13.3 4.5 3.0 19 65 A L B -G 27 0B 51 8,-1.1 8,-3.6 -2,-0.3 4,-0.1 -0.984 47.0-122.4-143.3 155.8 12.0 3.4 -0.4 20 66 A D S S+ 0 0 49 -2,-0.3 6,-0.1 6,-0.3 373,-0.1 0.011 82.1 105.2 -78.8 25.0 12.5 4.6 -4.0 21 67 A M S S- 0 0 61 6,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.894 86.5 -1.4 -67.2 -97.3 8.8 5.2 -4.4 22 68 A P S S+ 0 0 16 0, 0.0 2,-2.7 0, 0.0 224,-0.3 0.979 112.4 60.2 -67.6 -86.1 8.0 9.1 -4.2 23 69 A G S S- 0 0 12 222,-0.4 2,-1.0 5,-0.2 222,-0.2 -0.126 108.3 -96.7 -56.7 65.3 10.8 11.7 -3.7 24 70 A F S S+ 0 0 75 -2,-2.7 369,-0.2 -3,-0.2 3,-0.2 -0.508 101.1 13.2 51.5 -88.6 12.9 10.7 -6.8 25 71 A G S S- 0 0 11 -2,-1.0 2,-0.5 1,-0.3 368,-0.2 0.582 132.3 -11.0 -76.9-125.8 15.6 8.3 -5.5 26 72 A A S S- 0 0 50 366,-0.2 -6,-0.3 -6,-0.1 -1,-0.3 -0.694 78.4-160.9 -73.0 121.4 15.3 6.8 -2.0 27 73 A V B -G 19 0B 7 -8,-3.6 -8,-1.1 -2,-0.5 2,-0.3 -0.531 8.5-126.4-105.5 170.4 12.5 8.6 -0.1 28 74 A A - 0 0 7 -10,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.765 20.1-179.4-111.8 155.9 11.5 9.0 3.6 29 75 A S - 0 0 0 -2,-0.3 -12,-0.5 170,-0.1 2,-0.4 -0.955 13.9-145.3-144.3 154.9 8.3 8.4 5.5 30 76 A N + 0 0 1 170,-0.3 2,-0.3 -2,-0.3 -14,-0.2 -0.977 26.5 154.4-133.4 139.1 7.5 8.8 9.2 31 77 A G E -B 15 0A 0 -16,-0.9 -16,-2.4 -2,-0.4 2,-0.3 -0.738 36.7-124.6-124.3 177.8 5.4 7.3 11.9 32 78 A L E -BC 14 43A 5 11,-1.7 11,-1.9 -2,-0.3 2,-0.6 -0.933 4.3-138.1-125.5 149.3 6.2 7.6 15.6 33 79 A I E -BC 13 42A 1 -20,-2.5 -20,-2.4 -2,-0.3 2,-0.4 -0.956 29.3-173.2-109.1 111.0 6.8 4.9 18.3 34 80 A V E -BC 12 41A 1 7,-3.4 7,-3.4 -2,-0.6 2,-0.5 -0.861 14.9-145.7-112.9 141.8 5.0 6.0 21.5 35 81 A R E - C 0 40A 83 -24,-1.2 2,-0.6 -2,-0.4 5,-0.2 -0.924 10.2-171.9-116.3 122.7 5.2 4.3 24.8 36 82 A D E > - C 0 39A 45 3,-0.7 2,-0.9 -2,-0.5 3,-0.6 -0.678 65.0 -63.2-120.3 76.0 2.1 4.3 27.2 37 83 A G T 3 S- 0 0 53 -2,-0.6 -2,-0.0 1,-0.2 -26,-0.0 -0.784 116.4 -23.4 79.0-107.4 3.1 2.8 30.5 38 84 A G T 3 S+ 0 0 31 -2,-0.9 -1,-0.2 2,-0.0 27,-0.0 0.770 126.0 87.4-102.2 -48.0 4.1 -0.8 29.7 39 85 A R E < -C 36 0A 140 -3,-0.6 -3,-0.7 26,-0.1 2,-0.3 0.191 69.7-144.5 -25.0 158.0 2.0 -0.8 26.5 40 86 A V E -Cd 35 67A 1 26,-0.9 28,-2.2 -5,-0.2 29,-0.6 -0.988 17.0-176.2-147.8 147.7 3.5 0.4 23.2 41 87 A L E -Cd 34 69A 3 -7,-3.4 -7,-3.4 -2,-0.3 2,-0.4 -0.935 9.4-154.0-149.3 153.8 1.9 2.3 20.4 42 88 A V E -Cd 33 70A 7 27,-0.7 29,-2.0 -2,-0.3 2,-0.8 -0.989 13.7-145.5-142.8 126.0 2.7 3.6 17.0 43 89 A V E S-Cd 32 71A 2 -11,-1.9 -11,-1.7 -2,-0.4 29,-0.2 -0.870 77.0 -18.0 -86.2 113.1 1.4 6.4 14.7 44 90 A D - 0 0 0 27,-3.7 2,-0.3 -2,-0.8 -13,-0.1 0.461 67.6-114.0 76.3 148.8 1.7 5.0 11.2 45 91 A T - 0 0 1 34,-0.7 7,-0.1 1,-0.3 37,-0.1 -0.775 33.7-100.0-112.4 163.1 3.6 2.2 9.5 46 92 A A - 0 0 0 -2,-0.3 -1,-0.3 2,-0.2 -16,-0.1 0.555 52.0 -76.5 -61.5-149.7 6.5 2.3 6.9 47 93 A W S S+ 0 0 20 -18,-0.1 2,-0.2 35,-0.1 35,-0.1 0.835 106.3 24.3 -81.5 -38.1 6.2 1.8 3.2 48 94 A T S S- 0 0 48 33,-0.1 4,-0.3 34,-0.1 -2,-0.2 -0.585 82.2 -98.3-124.8-169.5 5.9 -2.0 3.3 49 95 A D S S+ 0 0 56 1,-0.2 33,-0.1 -2,-0.2 32,-0.0 0.491 119.3 45.6 -88.3 -11.9 5.0 -5.1 5.3 50 96 A D S > S+ 0 0 119 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.566 102.7 62.9-109.7 -18.0 8.5 -5.9 6.4 51 97 A Q T 4 S+ 0 0 1 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.561 105.1 48.5 -82.0 -13.2 9.4 -2.3 7.3 52 98 A T T > S+ 0 0 5 -4,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.520 105.8 57.8-103.9 -12.9 6.8 -2.5 10.0 53 99 A A H > S+ 0 0 37 2,-0.2 4,-2.3 3,-0.1 -2,-0.2 0.879 107.6 46.6 -73.0 -42.2 8.2 -5.8 11.1 54 100 A Q H X S+ 0 0 53 -4,-1.5 4,-2.4 2,-0.3 -2,-0.2 0.742 107.1 57.7 -74.8 -22.3 11.6 -4.2 11.7 55 101 A I H 4 S+ 0 0 3 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.843 113.1 41.4 -65.3 -35.8 9.8 -1.4 13.6 56 102 A L H X S+ 0 0 23 -4,-0.7 4,-1.3 2,-0.1 3,-0.3 0.819 115.3 51.4 -79.0 -34.5 8.5 -4.1 15.8 57 103 A N H X S+ 0 0 88 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.949 108.4 46.3 -71.3 -51.8 11.8 -5.9 15.9 58 104 A W H < S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.435 110.3 63.1 -67.4 -3.0 14.1 -3.0 16.9 59 105 A I H >>S+ 0 0 1 -3,-0.3 5,-4.5 3,-0.2 4,-2.4 0.792 106.0 37.3 -89.0 -44.2 11.3 -2.4 19.5 60 106 A K H <5S+ 0 0 109 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.1 0.791 118.3 54.4 -76.3 -27.4 11.6 -5.6 21.5 61 107 A Q T <5S+ 0 0 130 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.610 133.1 6.3 -75.8 -20.3 15.4 -5.4 21.0 62 108 A E T 45S+ 0 0 110 -5,-0.1 -2,-0.2 -3,-0.1 -3,-0.2 0.481 142.2 29.5-147.2 -18.0 15.5 -1.8 22.5 63 109 A I T <5S- 0 0 29 -4,-2.4 2,-0.6 1,-0.1 -3,-0.3 0.682 79.1-176.3-104.7 -64.3 12.1 -0.8 23.9 64 110 A N < + 0 0 56 -5,-4.5 -5,-0.1 1,-0.3 -1,-0.1 -0.671 38.9 100.3 117.0 -79.3 10.8 -4.3 24.9 65 111 A L S S- 0 0 95 -2,-0.6 -1,-0.3 1,-0.1 2,-0.2 0.033 79.7 -84.0 -43.1 155.8 7.2 -4.2 26.2 66 112 A P - 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