==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-02 1MWZ . COMPND 2 MOLECULE: ZNTA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,L.A.FINNEY,C.E.OUTTEN, . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 10 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.7 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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 150 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.4 3.2 1.5 16.9 2 3 A G - 0 0 39 1,-0.3 2,-0.3 44,-0.0 44,-0.0 0.983 360.0 -42.1 -59.2 -75.7 -0.1 -0.2 16.2 3 4 A T - 0 0 53 2,-0.1 2,-0.5 69,-0.0 -1,-0.3 -0.941 51.5-140.1-144.1 157.8 1.0 -2.8 13.6 4 5 A R + 0 0 95 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.979 23.5 177.3-120.6 115.4 3.4 -2.5 10.6 5 6 A Y E -A 45 0A 30 40,-3.1 40,-2.3 -2,-0.5 2,-0.3 -0.813 5.5-173.7-105.3 155.3 2.4 -4.3 7.4 6 7 A S E -A 44 0A 6 64,-0.9 63,-2.5 -2,-0.3 2,-0.3 -0.978 10.9-164.3-146.8 156.6 4.3 -4.1 4.1 7 8 A W E -AB 43 68A 2 36,-2.4 36,-2.4 -2,-0.3 2,-0.6 -0.982 24.2-125.4-140.5 152.7 4.1 -5.2 0.5 8 9 A K E -A 42 0A 100 59,-1.7 2,-0.7 -2,-0.3 34,-0.2 -0.871 31.1-168.5 -99.8 105.1 6.6 -5.5 -2.4 9 10 A V > - 0 0 0 32,-1.8 2,-2.3 -2,-0.6 3,-1.3 -0.781 14.0-165.3-115.8 91.4 5.2 -3.5 -5.3 10 11 A S T 3 S+ 0 0 92 55,-1.5 3,-0.1 -2,-0.7 56,-0.0 -0.426 80.9 46.8 -78.3 75.4 6.8 -3.9 -8.7 11 12 A G T 3 S+ 0 0 38 -2,-2.3 2,-0.6 1,-0.2 -1,-0.2 0.289 71.5 107.8-179.2 -26.9 5.3 -0.8 -10.4 12 13 A M < + 0 0 6 -3,-1.3 27,-3.0 1,-0.2 29,-0.5 -0.677 27.5 141.5 -80.2 119.3 5.6 2.3 -8.2 13 14 A D + 0 0 105 -2,-0.6 2,-0.3 25,-0.3 -1,-0.2 0.368 51.8 61.0-135.6 -3.2 8.2 4.7 -9.7 14 15 A C S > S- 0 0 48 1,-0.1 4,-3.0 25,-0.0 5,-0.1 -0.949 72.6-126.9-138.6 148.7 6.8 8.3 -9.2 15 16 A A H > S+ 0 0 55 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.817 115.8 53.5 -65.3 -31.6 5.8 10.6 -6.4 16 17 A A H > S+ 0 0 70 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.938 108.9 48.2 -66.4 -46.2 2.4 11.0 -8.1 17 18 A C H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.970 112.0 51.0 -53.3 -55.8 2.0 7.2 -8.3 18 19 A A H X S+ 0 0 6 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.921 109.7 48.9 -46.9 -54.2 3.0 7.2 -4.6 19 20 A R H X S+ 0 0 171 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.919 113.1 46.8 -58.7 -43.6 0.4 9.9 -3.7 20 21 A K H X S+ 0 0 148 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.889 114.4 49.4 -63.7 -36.9 -2.3 8.0 -5.6 21 22 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.972 111.1 46.9 -64.4 -55.4 -1.2 4.7 -3.9 22 23 A E H X S+ 0 0 64 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.907 117.8 44.4 -60.3 -38.5 -1.3 6.2 -0.4 23 24 A N H X S+ 0 0 89 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.939 109.8 55.6 -61.3 -50.6 -4.7 7.7 -1.2 24 25 A A H < S+ 0 0 14 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.794 119.9 32.1 -56.5 -33.9 -5.9 4.4 -2.8 25 26 A V H >< S+ 0 0 0 -4,-2.3 3,-2.5 2,-0.1 4,-0.3 0.872 114.0 59.0 -87.6 -46.0 -5.0 2.6 0.4 26 27 A R H 3< S+ 0 0 158 -4,-3.1 -2,-0.2 -5,-0.3 -3,-0.2 0.817 94.9 66.8 -56.4 -33.4 -5.8 5.4 2.9 27 28 A Q T 3< S+ 0 0 150 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.628 85.7 77.9 -58.5 -18.7 -9.4 5.6 1.6 28 29 A L S < S- 0 0 39 -3,-2.5 -1,-0.2 -5,-0.1 -2,-0.1 0.984 91.6-125.2 -61.3 -74.5 -10.1 2.1 3.1 29 30 A A S S+ 0 0 78 -4,-0.3 -1,-0.1 -3,-0.1 22,-0.1 -0.405 91.2 66.1 162.3 -71.7 -10.7 2.6 6.9 30 31 A G S S+ 0 0 8 20,-0.2 18,-1.1 17,-0.1 2,-0.3 0.748 80.4 96.0 -47.9 -39.1 -8.3 0.3 9.0 31 32 A V E +C 47 0A 10 -6,-0.3 16,-0.3 16,-0.2 3,-0.1 -0.484 41.4 168.8 -67.6 123.0 -5.2 2.2 7.8 32 33 A N E + 0 0 100 14,-3.0 2,-0.4 1,-0.4 15,-0.2 0.856 69.9 24.9 -99.7 -55.0 -4.0 4.9 10.2 33 34 A Q E -C 46 0A 123 13,-1.7 13,-2.9 2,-0.0 2,-0.4 -0.944 68.0-159.7-116.6 139.5 -0.6 5.7 8.8 34 35 A V E +C 45 0A 21 -2,-0.4 11,-0.2 11,-0.2 2,-0.2 -0.928 12.9 174.4-112.2 139.2 0.5 5.2 5.2 35 36 A Q E +C 44 0A 117 9,-2.5 9,-2.1 -2,-0.4 2,-0.8 -0.714 7.0 178.0-145.5 89.1 4.2 5.1 4.1 36 37 A V E -C 43 0A 16 7,-0.2 2,-1.2 -2,-0.2 7,-0.3 -0.839 9.2-167.1-102.1 103.4 4.4 4.2 0.4 37 38 A L E > -C 42 0A 78 5,-1.9 5,-2.1 -2,-0.8 3,-0.2 -0.681 11.3-169.4 -99.5 81.6 8.1 4.1 -0.7 38 39 A F T 5 + 0 0 63 -2,-1.2 2,-2.4 3,-0.2 -25,-0.3 -0.095 69.4 31.2 -55.3 164.0 7.9 4.0 -4.5 39 40 A A T 5S+ 0 0 77 -27,-3.0 -1,-0.2 1,-0.2 -26,-0.1 -0.267 112.4 67.1 71.3 -46.8 11.1 3.4 -6.5 40 41 A T T 5S- 0 0 93 -2,-2.4 -1,-0.2 -3,-0.2 -2,-0.2 0.341 112.6-123.7 -77.6 4.4 12.3 1.2 -3.6 41 42 A E T 5 + 0 0 84 -29,-0.5 -32,-1.8 1,-0.1 2,-0.4 0.758 69.7 110.0 63.8 30.1 9.4 -1.1 -4.6 42 43 A K E < -AC 8 37A 52 -5,-2.1 -5,-1.9 -34,-0.2 2,-0.4 -0.993 45.6-167.1-143.6 149.9 7.6 -1.1 -1.2 43 44 A L E -AC 7 36A 0 -36,-2.4 -36,-2.4 -2,-0.4 2,-0.4 -0.945 9.7-164.5-122.5 143.9 4.6 0.1 0.7 44 45 A V E -AC 6 35A 3 -9,-2.1 -9,-2.5 -2,-0.4 2,-0.4 -0.971 6.5-171.7-124.9 138.1 4.2 0.0 4.5 45 46 A V E -AC 5 34A 0 -40,-2.3 -40,-3.1 -2,-0.4 2,-0.6 -0.998 16.3-153.8-131.9 135.1 0.8 0.5 6.2 46 47 A D E + C 0 33A 33 -13,-2.9 -14,-3.0 -2,-0.4 -13,-1.7 -0.962 29.6 168.0-108.2 108.4 0.1 0.9 9.9 47 48 A A E - C 0 31A 0 -2,-0.6 2,-1.1 -16,-0.3 -16,-0.2 -0.972 29.5-161.8-131.6 117.6 -3.5 -0.4 10.3 48 49 A D S S+ 0 0 95 -18,-1.1 -17,-0.1 -2,-0.4 2,-0.0 -0.481 84.7 36.5 -98.6 59.3 -5.1 -1.1 13.7 49 50 A N S S- 0 0 115 -2,-1.1 2,-0.1 0, 0.0 -1,-0.1 -0.140 110.0 -77.7-157.8 -89.3 -7.8 -3.3 12.2 50 51 A D + 0 0 109 -2,-0.0 -20,-0.2 2,-0.0 -2,-0.1 -0.411 66.7 132.8 156.8 94.9 -7.3 -5.7 9.3 51 52 A I >> + 0 0 1 -2,-0.1 4,-3.0 -4,-0.1 3,-0.9 0.288 34.6 106.7-145.9 7.5 -7.2 -4.3 5.8 52 53 A R H 3> S+ 0 0 28 1,-0.3 4,-3.1 2,-0.3 5,-0.2 0.957 85.6 51.1 -64.1 -46.4 -4.2 -5.8 4.0 53 54 A A H 3> S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.671 113.8 48.6 -57.9 -19.6 -6.4 -8.0 1.8 54 55 A Q H <> S+ 0 0 94 -3,-0.9 4,-2.5 2,-0.1 -2,-0.3 0.879 111.5 47.3 -81.4 -49.1 -8.2 -4.7 1.2 55 56 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.897 111.7 50.4 -55.4 -47.7 -5.0 -2.7 0.3 56 57 A E H X S+ 0 0 70 -4,-3.1 4,-3.0 1,-0.3 10,-0.2 0.976 113.0 45.0 -66.8 -51.1 -3.7 -5.4 -1.9 57 58 A S H X S+ 0 0 45 -4,-0.8 4,-2.8 -5,-0.2 -1,-0.3 0.868 112.6 54.4 -45.6 -47.3 -7.0 -5.5 -3.8 58 59 A A H X S+ 0 0 19 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.953 112.3 41.1 -62.6 -50.5 -7.0 -1.7 -3.8 59 60 A L H X>S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 5,-2.2 0.895 113.9 53.6 -61.3 -43.9 -3.5 -1.4 -5.4 60 61 A Q H <5S+ 0 0 119 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.919 112.1 45.2 -59.4 -43.1 -4.4 -4.3 -7.8 61 62 A K H <5S+ 0 0 174 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.928 110.7 52.7 -62.3 -48.9 -7.5 -2.3 -8.8 62 63 A A H <5S- 0 0 54 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.851 131.6 -95.4 -58.1 -36.6 -5.4 0.9 -9.1 63 64 A G T <5S+ 0 0 58 -4,-2.6 -3,-0.2 1,-0.2 2,-0.2 0.675 81.8 116.7 126.4 44.2 -3.1 -1.1 -11.4 64 65 A Y < - 0 0 44 -5,-2.2 2,-0.2 -8,-0.2 -1,-0.2 -0.656 54.9-133.8-121.7 178.7 -0.1 -2.4 -9.3 65 66 A S + 0 0 80 -2,-0.2 -55,-1.5 2,-0.0 2,-0.2 -0.745 38.3 156.6-141.0 80.9 1.3 -5.9 -8.3 66 67 A L - 0 0 17 -57,-0.3 2,-0.3 -2,-0.2 -57,-0.2 -0.477 20.2-162.2 -86.9 172.0 2.1 -6.0 -4.6 67 68 A R - 0 0 192 -2,-0.2 -59,-1.7 -59,-0.0 2,-0.1 -0.944 33.4 -85.9-156.8 148.0 2.4 -9.1 -2.5 68 69 A D B -B 7 0A 71 -2,-0.3 -61,-0.2 -61,-0.2 2,-0.2 -0.330 29.5-168.0 -57.6 123.1 2.3 -9.6 1.3 69 70 A E - 0 0 78 -63,-2.5 3,-0.5 1,-0.4 -1,-0.1 -0.479 49.1 -97.7-108.3 58.7 5.7 -9.2 3.1 70 71 A Q - 0 0 139 -2,-0.2 -64,-0.9 1,-0.2 2,-0.7 0.043 54.7 -60.7 63.6-176.8 4.6 -10.6 6.5 71 72 A A S S- 0 0 67 1,-0.2 -66,-0.2 -66,-0.2 -1,-0.2 -0.704 97.1 -63.7-104.1 74.9 3.6 -8.6 9.5 72 73 A A 0 0 32 -2,-0.7 -1,-0.2 -3,-0.5 -66,-0.1 -0.406 360.0 360.0 76.5-158.2 6.9 -6.7 9.9 73 74 A E 0 0 247 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.612 360.0 360.0-116.3 360.0 10.3 -8.3 10.8