==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAR-08 2VQX . COMPND 2 MOLECULE: METALLOPROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA PROTEAMACULANS; . AUTHOR W.R.MELIK-ADAMYAN,I.P.KURANOVA,K.M.POLYAKOV,I.V.DEMIDYUK, . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 1 0 0 0 1 1 0 1 1 1 2 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 92 0, 0.0 2,-0.7 0, 0.0 117,-0.2 0.000 360.0 360.0 360.0 131.8 -3.0 8.4 13.8 2 7 A R E -A 117 0A 68 115,-2.2 115,-1.5 143,-0.1 2,-0.4 -0.902 360.0-166.3-100.8 108.0 -5.5 9.7 16.3 3 8 A S E -A 116 0A 37 -2,-0.7 113,-0.2 113,-0.2 111,-0.0 -0.802 20.8-141.3-101.9 139.1 -8.9 10.0 14.6 4 9 A V S S+ 0 0 4 111,-2.2 -1,-0.1 -2,-0.4 112,-0.1 0.810 88.9 62.2 -69.3 -35.0 -11.9 11.9 16.1 5 10 A I S S- 0 0 2 110,-0.3 -1,-0.1 108,-0.1 -2,-0.1 -0.856 87.6-134.3 -95.2 115.6 -14.6 9.4 14.9 6 11 A P >> - 0 0 2 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.304 17.8-111.5 -72.7 153.1 -14.1 6.0 16.5 7 12 A P H 3> S+ 0 0 56 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.819 115.0 58.2 -48.1 -41.5 -14.3 2.6 14.5 8 13 A Y H 3> S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.801 104.8 51.2 -65.6 -27.0 -17.5 1.5 16.3 9 14 A M H <> S+ 0 0 6 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.907 112.1 45.5 -74.3 -42.6 -19.3 4.7 15.1 10 15 A L H X S+ 0 0 4 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.879 110.7 53.9 -65.1 -40.0 -18.3 4.1 11.5 11 16 A R H X S+ 0 0 123 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.888 105.2 55.0 -61.5 -39.1 -19.2 0.3 11.8 12 17 A R H X S+ 0 0 87 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.913 109.5 46.2 -58.1 -44.2 -22.6 1.5 13.0 13 18 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.888 107.9 57.5 -64.9 -39.9 -23.0 3.6 9.8 14 19 A I H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.4 37.6 -61.0 -35.5 -21.8 0.6 7.7 15 20 A E H < S+ 0 0 150 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.802 127.9 29.3 -86.4 -31.6 -24.6 -1.6 9.0 16 21 A H H < S+ 0 0 95 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.551 99.3 92.1-110.1 -10.8 -27.5 0.8 9.2 17 22 A G S < S- 0 0 22 -4,-2.2 -4,-0.0 -5,-0.2 2,-0.0 -0.199 78.0 -93.9 -83.5 172.8 -26.9 3.5 6.5 18 23 A S > - 0 0 52 1,-0.1 4,-3.2 4,-0.0 5,-0.3 -0.175 51.4 -88.5 -71.4 175.4 -28.0 3.7 2.9 19 24 A L H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.948 129.1 40.6 -55.1 -55.5 -25.8 2.5 0.0 20 25 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.860 115.6 52.6 -63.6 -34.2 -23.8 5.7 -0.4 21 26 A Q H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.937 111.1 46.3 -64.9 -47.9 -23.6 6.3 3.4 22 27 A R H X S+ 0 0 105 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.895 111.1 54.6 -56.3 -43.0 -22.2 2.8 3.9 23 28 A D H X S+ 0 0 55 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.883 108.6 44.2 -67.1 -42.5 -19.7 3.3 1.0 24 29 A C H X S+ 0 0 10 -4,-2.0 4,-1.7 2,-0.2 89,-0.4 0.876 115.8 48.9 -70.5 -35.9 -18.1 6.5 2.3 25 30 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.861 109.7 52.4 -68.0 -37.6 -17.9 5.1 5.9 26 31 A L H X S+ 0 0 41 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.908 110.7 46.4 -65.3 -43.2 -16.3 1.9 4.6 27 32 A H H X S+ 0 0 124 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.839 114.0 49.7 -68.2 -34.2 -13.6 3.8 2.7 28 33 A T H < S+ 0 0 8 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.925 114.5 43.4 -66.9 -47.0 -13.0 6.0 5.8 29 34 A L H < S+ 0 0 52 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.907 117.1 44.4 -67.3 -44.1 -12.7 3.0 8.1 30 35 A N H < S+ 0 0 111 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.588 84.0 126.2 -79.2 -11.4 -10.6 0.8 5.8 31 36 A H < 0 0 65 -4,-0.7 -3,-0.0 -3,-0.3 -4,-0.0 -0.212 360.0 360.0 -56.5 131.3 -8.2 3.7 4.8 32 37 A V 0 0 172 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.148 360.0 360.0-131.8 360.0 -4.5 3.0 5.4 33 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 34 52 A K 0 0 219 0, 0.0 2,-0.3 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 134.9 12.0 27.5 11.1 35 53 A T - 0 0 84 65,-0.1 65,-0.2 1,-0.1 64,-0.2 -0.762 360.0 -98.7-112.6 159.2 10.1 27.3 14.5 36 54 A S - 0 0 6 63,-2.7 2,-0.3 -2,-0.3 5,-0.1 -0.429 25.2-132.4 -75.6 146.2 8.0 30.0 16.2 37 55 A T > - 0 0 106 3,-0.3 3,-1.8 -2,-0.1 61,-0.0 -0.719 53.8 -72.8 -86.8 151.1 9.3 32.2 19.0 38 56 A G T 3 S+ 0 0 38 -2,-0.3 -1,-0.1 1,-0.2 55,-0.1 -0.199 119.3 22.5 -52.1 127.3 6.9 32.3 22.0 39 57 A G T 3 S+ 0 0 18 53,-0.2 2,-0.4 44,-0.1 -1,-0.2 0.260 105.0 81.6 103.9 -10.3 3.8 34.3 21.2 40 58 A E < - 0 0 142 -3,-1.8 -3,-0.3 43,-0.0 53,-0.0 -0.885 67.3-145.0-135.2 104.8 3.7 34.2 17.4 41 59 A V - 0 0 23 -2,-0.4 2,-0.5 -5,-0.1 -4,-0.1 -0.183 0.2-149.3 -62.3 150.6 2.2 31.2 15.6 42 60 A I - 0 0 47 58,-0.3 60,-2.8 -6,-0.1 2,-0.3 -0.971 23.3-178.3-118.9 114.7 3.6 29.8 12.3 43 61 A R E -b 102 0A 34 -2,-0.5 19,-1.0 58,-0.2 2,-0.3 -0.823 15.1-176.9-109.2 150.0 0.8 28.2 10.1 44 62 A D E -bC 103 61A 25 58,-2.0 60,-1.9 -2,-0.3 2,-0.4 -0.859 8.9-166.0-146.2 115.3 0.9 26.4 6.8 45 63 A I E -bC 104 60A 0 15,-2.7 14,-2.4 -2,-0.3 15,-2.1 -0.849 6.1-170.3-106.4 132.1 -2.3 25.1 5.2 46 64 A Y E -bC 105 58A 43 58,-3.1 60,-2.4 -2,-0.4 2,-0.5 -0.795 18.7-135.1-117.9 158.6 -2.3 22.7 2.2 47 65 A D E -bC 106 57A 26 10,-2.7 10,-2.4 -2,-0.3 60,-0.2 -0.968 7.6-167.2-117.5 112.9 -5.1 21.4 -0.2 48 66 A A > - 0 0 6 58,-2.8 3,-2.1 -2,-0.5 5,-0.3 0.514 29.8-139.4 -77.4 -7.3 -5.0 17.6 -0.8 49 67 A E T 3 - 0 0 112 57,-0.3 59,-0.1 1,-0.3 58,-0.1 0.799 63.6 -58.2 54.3 38.1 -7.5 18.2 -3.7 50 68 A N T 3 S+ 0 0 79 57,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.629 115.3 109.8 65.1 17.3 -9.5 15.0 -2.8 51 69 A S S < S- 0 0 64 -3,-2.1 58,-2.1 56,-0.3 -1,-0.3 -0.557 73.6-125.3-100.6 176.5 -6.5 12.7 -3.2 52 70 A T + 0 0 71 -2,-0.2 2,-0.5 56,-0.2 56,-0.1 0.102 69.6 116.5-114.0 21.7 -4.8 11.0 -0.1 53 71 A Q - 0 0 143 -5,-0.3 -2,-0.2 2,-0.0 56,-0.1 -0.795 65.3-103.6 -90.3 129.3 -1.2 12.2 -0.7 54 72 A L S S+ 0 0 45 -2,-0.5 -2,-0.1 1,-0.2 69,-0.0 -0.764 85.1 2.0-105.5 150.0 0.1 14.5 2.0 55 73 A P S S- 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.975 85.6-170.4 -80.9 -17.6 0.6 17.3 2.5 56 74 A G - 0 0 39 -10,-0.1 2,-0.5 -8,-0.1 -8,-0.2 -0.749 45.7 -13.6 103.6-155.4 -0.8 18.3 -0.9 57 75 A K E -C 47 0A 129 -10,-2.4 -10,-2.7 -2,-0.3 2,-0.2 -0.762 69.2-119.0 -89.4 126.4 -0.6 21.7 -2.6 58 76 A Q E +C 46 0A 88 -2,-0.5 -12,-0.2 -12,-0.2 3,-0.1 -0.456 44.0 159.0 -65.3 127.6 0.4 24.7 -0.5 59 77 A V E + 0 0 22 -14,-2.4 2,-0.2 -2,-0.2 -13,-0.2 0.632 62.8 18.8-124.5 -26.4 -2.4 27.3 -0.5 60 78 A R E +C 45 0A 28 -15,-2.1 -15,-2.7 6,-0.1 -1,-0.2 -0.702 61.4 177.2-155.3 98.4 -2.0 29.5 2.6 61 79 A N E > -C 44 0A 62 -17,-0.3 3,-2.1 -2,-0.2 -17,-0.2 -0.303 56.4 -49.1 -88.4-179.6 1.2 30.0 4.6 62 80 A E T 3 S+ 0 0 70 -19,-1.0 -1,-0.2 1,-0.3 3,-0.1 -0.291 128.2 3.0 -61.6 123.5 1.7 32.3 7.6 63 81 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.222 94.6 137.7 89.2 -12.9 0.4 35.8 6.8 64 82 A Q < - 0 0 81 -3,-2.1 -1,-0.3 1,-0.1 3,-0.1 -0.373 58.1-105.4 -68.1 142.8 -0.9 34.9 3.3 65 83 A A - 0 0 77 1,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.167 43.8 -82.8 -65.5 162.1 -4.3 36.3 2.3 66 84 A S - 0 0 35 1,-0.1 -1,-0.1 2,-0.1 -6,-0.1 -0.402 23.2-155.7 -66.8 137.6 -7.5 34.2 2.2 67 85 A N - 0 0 65 2,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.306 44.1-116.6 -92.7 5.0 -8.1 32.1 -0.9 68 86 A H S S+ 0 0 164 1,-0.2 2,-0.6 2,-0.1 3,-0.1 0.647 72.3 134.4 66.8 20.5 -11.9 32.2 -0.1 69 87 A D > - 0 0 38 1,-0.1 4,-2.5 2,-0.0 3,-0.3 -0.905 52.1-145.7 -92.7 120.1 -12.2 28.4 0.4 70 88 A V H > S+ 0 0 69 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.853 97.0 53.0 -58.5 -39.3 -14.2 28.0 3.7 71 89 A A H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 111.7 44.9 -62.7 -42.3 -12.3 24.9 4.7 72 90 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.895 112.7 52.2 -69.5 -40.6 -8.9 26.6 4.3 73 91 A D H X S+ 0 0 42 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.918 112.6 45.1 -58.0 -46.8 -10.2 29.7 6.2 74 92 A E H X S+ 0 0 23 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.907 113.6 48.3 -68.0 -44.4 -11.4 27.5 9.1 75 93 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.943 115.5 45.7 -57.6 -49.4 -8.2 25.4 9.3 76 94 A Y H X S+ 0 0 15 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.935 118.2 41.8 -60.5 -49.3 -6.1 28.6 9.2 77 95 A D H X S+ 0 0 80 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.907 116.4 46.1 -67.1 -44.8 -8.2 30.4 11.8 78 96 A Y H X S+ 0 0 49 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.822 109.9 52.7 -78.1 -30.4 -8.8 27.5 14.2 79 97 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.908 111.7 50.1 -61.9 -42.1 -5.1 26.4 14.2 80 98 A G H X S+ 0 0 12 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.921 109.5 48.5 -59.9 -47.9 -4.3 30.1 15.1 81 99 A V H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.878 108.9 54.5 -63.4 -36.7 -6.9 30.2 17.9 82 100 A T H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.937 110.3 45.8 -63.8 -44.9 -5.5 27.0 19.3 83 101 A Y H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 11,-0.3 0.939 112.7 50.9 -58.3 -49.8 -1.9 28.5 19.4 84 102 A D H X S+ 0 0 68 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.883 108.0 53.1 -59.0 -42.6 -3.2 31.7 21.0 85 103 A F H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.961 110.2 45.8 -55.8 -55.4 -5.1 29.8 23.7 86 104 A F H X S+ 0 0 2 -4,-2.0 6,-2.0 1,-0.2 4,-1.3 0.854 117.4 45.4 -61.9 -32.5 -2.0 27.8 24.8 87 105 A W H X S+ 0 0 84 -4,-2.1 4,-1.4 4,-0.3 -2,-0.2 0.936 118.5 39.6 -73.4 -50.0 0.2 30.9 24.8 88 106 A Q H < S+ 0 0 124 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.894 124.3 37.8 -67.6 -42.6 -2.3 33.2 26.6 89 107 A A H < S+ 0 0 13 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.912 138.1 8.1 -76.3 -45.1 -3.5 30.6 29.1 90 108 A F H < S- 0 0 9 -4,-1.3 -3,-0.2 -5,-0.5 -2,-0.2 0.353 90.4-117.0-126.3 3.1 -0.3 28.7 29.9 91 109 A K < + 0 0 158 -4,-1.4 2,-0.4 1,-0.2 -4,-0.3 0.834 61.9 153.6 56.0 36.2 2.6 30.6 28.3 92 110 A R - 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