==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-11 3ZVS . COMPND 2 MOLECULE: ARCHAEMETZINCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR C.GRAEF,M.SCHACHERL,U.BAUMANN . 476 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 40 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 5 3 1 0 0 0 0 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 0 4 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 PARALLEL BRIDGES PER LADDER . 3 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 92 0, 0.0 28,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.4 12.2 9.8 -13.7 2 2 A K E -a 29 0A 93 61,-0.3 2,-0.5 26,-0.2 28,-0.2 -0.955 360.0-162.7-120.1 139.1 12.8 11.0 -10.2 3 3 A I E -a 30 0A 0 26,-2.5 28,-2.8 -2,-0.4 2,-0.6 -0.996 3.2-161.5-123.5 125.2 12.9 14.7 -9.1 4 4 A Y E -ab 31 65A 39 60,-3.2 62,-2.8 -2,-0.5 2,-0.6 -0.934 7.7-153.1-105.8 117.7 14.4 15.6 -5.8 5 5 A I E -ab 32 66A 0 26,-3.2 28,-2.8 -2,-0.6 62,-0.2 -0.838 6.5-163.9 -92.0 122.9 13.5 19.0 -4.5 6 6 A Q E - b 0 67A 8 60,-2.6 62,-2.3 -2,-0.6 2,-0.3 -0.885 11.2-146.5-107.6 102.1 16.1 20.5 -2.2 7 7 A P E - b 0 68A 7 0, 0.0 29,-1.7 0, 0.0 2,-0.4 -0.529 18.1-178.2 -68.6 130.5 14.7 23.4 -0.2 8 8 A L B S-e 36 0B 14 60,-2.9 62,-0.5 -2,-0.3 63,-0.4 -0.857 72.4 -34.4-132.8 91.2 17.4 26.1 0.3 9 9 A S S S+ 0 0 8 27,-2.1 61,-2.7 -2,-0.4 2,-0.3 0.981 104.3 134.1 52.3 67.4 16.1 29.0 2.4 10 10 A V - 0 0 15 59,-0.2 -1,-0.2 26,-0.1 2,-0.1 -0.991 65.2 -90.6-146.0 146.4 12.6 28.8 0.9 11 11 A N >> - 0 0 29 -2,-0.3 4,-1.6 1,-0.1 3,-0.5 -0.335 31.8-137.4 -56.5 128.1 9.0 28.9 2.2 12 12 A S H 3> S+ 0 0 58 205,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.826 103.6 60.0 -59.7 -30.0 7.8 25.3 2.9 13 13 A H H 3> S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 102.3 52.5 -67.4 -36.2 4.5 26.1 1.2 14 14 A T H <> S+ 0 0 9 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.887 106.9 52.2 -69.3 -36.1 6.3 26.9 -2.0 15 15 A V H X S+ 0 0 8 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.911 106.0 54.7 -61.6 -43.0 8.0 23.6 -1.9 16 16 A E H X S+ 0 0 99 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.873 101.8 59.0 -58.8 -39.2 4.6 21.9 -1.5 17 17 A V H X S+ 0 0 27 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.932 110.1 42.4 -53.2 -48.0 3.4 23.7 -4.7 18 18 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 3,-0.3 0.913 111.2 53.8 -69.6 -40.7 6.2 22.0 -6.6 19 19 A A H < S+ 0 0 27 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 114.7 43.8 -58.9 -32.5 5.6 18.6 -4.9 20 20 A N H < S+ 0 0 124 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 0.695 122.2 34.9 -85.0 -23.6 2.0 18.9 -5.9 21 21 A S H X S+ 0 0 18 -4,-1.4 4,-1.3 -3,-0.3 3,-0.3 0.806 105.2 62.7-102.9 -39.3 2.5 20.1 -9.5 22 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 6,-0.3 0.801 89.9 65.1 -66.7 -33.4 5.6 18.5 -10.9 23 23 A P H >>S+ 0 0 42 0, 0.0 5,-1.5 0, 0.0 4,-1.1 0.942 107.6 41.8 -55.8 -46.0 4.6 14.8 -10.8 24 24 A K H 45S+ 0 0 196 -3,-0.3 -2,-0.2 -4,-0.2 3,-0.2 0.889 114.2 52.2 -68.5 -39.7 1.9 15.2 -13.4 25 25 A I H <5S+ 0 0 63 -4,-1.3 -1,-0.2 1,-0.2 -3,-0.1 0.878 125.5 23.8 -64.4 -38.5 4.0 17.5 -15.6 26 26 A F H <5S- 0 0 15 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.383 98.2-124.1-108.8 2.1 7.0 15.2 -15.8 27 27 A N T <5 + 0 0 150 -4,-1.1 2,-0.3 -5,-0.2 -3,-0.2 0.955 69.0 142.9 45.6 54.2 5.3 11.8 -15.0 28 28 A A < - 0 0 16 -5,-1.5 2,-0.6 -6,-0.3 -26,-0.2 -0.839 63.2-117.1-125.6 157.2 7.8 11.6 -12.3 29 29 A E E -a 2 0A 102 -28,-2.2 -26,-2.5 -2,-0.3 2,-0.4 -0.860 38.8-154.0 -87.9 125.4 8.2 10.5 -8.7 30 30 A V E -a 3 0A 31 -2,-0.6 2,-0.4 -28,-0.2 -26,-0.2 -0.886 11.3-168.5-110.8 137.1 9.0 13.6 -6.6 31 31 A F E -a 4 0A 27 -28,-2.8 -26,-3.2 -2,-0.4 2,-0.6 -0.947 13.3-146.4-121.8 138.7 10.9 13.6 -3.4 32 32 A V E -a 5 0A 38 -2,-0.4 -26,-0.2 -28,-0.2 3,-0.1 -0.943 20.5-151.4-109.3 114.8 11.2 16.5 -1.0 33 33 A L - 0 0 16 -28,-2.8 2,-0.1 -2,-0.6 332,-0.0 -0.310 35.4 -75.3 -78.1 159.9 14.6 16.6 0.7 34 34 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 326,-0.0 -0.390 56.0-109.8 -57.7 134.2 15.2 18.0 4.2 35 35 A A + 0 0 80 -29,-0.1 2,-0.3 -3,-0.1 -27,-0.2 -0.313 41.6 174.6 -63.7 145.0 15.3 21.8 4.2 36 36 A S B -e 8 0B 43 -29,-1.7 -27,-2.1 321,-0.0 2,-0.3 -0.963 36.7 -99.6-142.8 159.3 18.6 23.6 4.7 37 37 A D - 0 0 104 -2,-0.3 3,-0.1 -29,-0.2 -29,-0.0 -0.668 50.1 -99.8 -76.4 140.4 19.7 27.2 4.7 38 38 A V - 0 0 7 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.295 53.7 -91.6 -59.3 141.0 21.4 28.1 1.4 39 39 A S > - 0 0 34 1,-0.2 3,-1.8 3,-0.1 -1,-0.1 -0.371 19.3-147.0 -65.5 128.6 25.2 28.1 2.0 40 40 A L G > S+ 0 0 131 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.726 97.1 76.1 -60.3 -20.1 26.9 31.3 3.0 41 41 A K G 3 S+ 0 0 174 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.797 97.3 47.4 -54.8 -29.7 29.9 30.0 1.0 42 42 A a G < S+ 0 0 4 -3,-1.8 9,-2.7 12,-0.1 2,-0.4 0.245 88.2 111.2-100.7 10.8 27.8 31.0 -2.0 43 43 A Y E < -F 50 0C 81 -3,-1.8 2,-0.8 7,-0.2 7,-0.2 -0.756 54.4-153.7 -91.6 128.3 26.9 34.5 -0.7 44 44 A N E >> -F 49 0C 45 5,-3.0 4,-2.0 -2,-0.4 5,-1.1 -0.898 6.6-166.1-100.0 106.0 28.3 37.5 -2.4 45 45 A A T 45S+ 0 0 62 -2,-0.8 -1,-0.2 1,-0.2 5,-0.0 0.817 84.4 56.5 -65.9 -31.8 28.3 40.2 0.3 46 46 A S T 45S+ 0 0 110 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.916 119.1 30.6 -65.0 -42.5 29.0 43.0 -2.2 47 47 A R T 45S- 0 0 93 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.632 96.9-133.2 -92.0 -15.9 25.9 42.2 -4.2 48 48 A R T <5S+ 0 0 191 -4,-2.0 2,-0.3 1,-0.3 24,-0.2 0.840 73.1 109.3 56.6 36.9 23.7 40.8 -1.4 49 49 A Q E < -F 44 0C 14 -5,-1.1 -5,-3.0 22,-0.1 2,-0.3 -0.929 69.6-119.0-132.2 159.7 23.0 37.9 -3.8 50 50 A Y E -Fg 43 73C 18 22,-2.5 24,-2.1 -2,-0.3 2,-0.5 -0.773 28.3-117.7-100.2 141.2 23.9 34.2 -3.9 51 51 A N E > - g 0 74C 30 -9,-2.7 4,-1.9 -2,-0.3 24,-0.2 -0.685 16.2-153.0 -81.7 123.1 25.9 32.8 -6.8 52 52 A S H > S+ 0 0 0 22,-2.9 4,-2.6 -2,-0.5 23,-0.2 0.838 93.0 55.5 -64.3 -34.1 23.8 30.1 -8.6 53 53 A T H > S+ 0 0 48 21,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.904 107.7 50.6 -66.7 -41.7 26.8 28.2 -10.0 54 54 A a H > S+ 0 0 14 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.931 109.9 50.2 -56.5 -50.7 28.1 27.9 -6.4 55 55 A I H >X S+ 0 0 5 -4,-1.9 3,-0.9 1,-0.2 4,-0.8 0.931 107.8 53.6 -58.9 -45.8 24.7 26.5 -5.3 56 56 A L H >< S+ 0 0 10 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.902 103.2 56.7 -54.0 -44.5 24.6 24.0 -8.1 57 57 A R H 3< S+ 0 0 159 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.792 105.1 52.3 -59.5 -28.9 28.0 22.6 -7.1 58 58 A M H << S+ 0 0 106 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.611 90.2 93.4 -89.1 -10.7 26.8 21.9 -3.6 59 59 A L S << S- 0 0 9 -3,-1.1 32,-0.1 -4,-0.8 6,-0.0 -0.479 89.9 -99.1 -76.7 152.3 23.7 19.9 -4.7 60 60 A P - 0 0 39 0, 0.0 2,-2.0 0, 0.0 -1,-0.1 -0.526 31.2-122.0 -69.7 140.1 24.0 16.1 -4.9 61 61 A P + 0 0 94 0, 0.0 2,-0.6 0, 0.0 30,-0.1 -0.371 66.0 133.5 -80.3 61.0 24.6 15.0 -8.6 62 62 A I - 0 0 84 -2,-2.0 2,-0.4 28,-0.1 -58,-0.3 -0.945 65.7 -93.9-115.0 116.8 21.5 12.8 -8.6 63 63 A K S S+ 0 0 102 -2,-0.6 -61,-0.3 1,-0.3 28,-0.1 -0.554 107.1 18.3 -75.0 126.0 19.3 13.3 -11.7 64 64 A V S S+ 0 0 0 26,-0.6 -60,-3.2 -2,-0.4 2,-0.5 0.551 76.1 154.0-104.6 133.3 17.1 15.3 -11.3 65 65 A T E -bc 4 91A 0 25,-2.6 27,-2.1 -62,-0.2 2,-0.6 -0.978 17.4-171.9-118.2 120.7 17.9 17.5 -8.3 66 66 A L E -bc 5 92A 0 -62,-2.8 -60,-2.6 -2,-0.5 2,-0.3 -0.949 9.1-155.6-114.2 111.9 16.3 21.0 -8.2 67 67 A G E -bc 6 93A 0 25,-2.8 27,-2.5 -2,-0.6 2,-0.4 -0.655 12.3-163.3 -79.2 140.8 17.4 23.4 -5.4 68 68 A V E +bc 7 94A 0 -62,-2.3 -60,-2.9 -2,-0.3 2,-0.3 -0.995 11.4 175.5-134.0 124.0 14.8 26.0 -4.7 69 69 A T E - c 0 95A 0 25,-2.3 27,-2.7 -2,-0.4 28,-0.5 -0.951 36.5-149.8-130.1 150.1 15.5 29.2 -2.8 70 70 A G S S+ 0 0 7 -61,-2.7 2,-0.3 -62,-0.5 -60,-0.1 0.432 75.5 98.8 -87.9 -6.1 13.8 32.4 -1.8 71 71 A K S S- 0 0 34 -63,-0.4 26,-0.4 -62,-0.3 2,-0.2 -0.611 84.9-105.8 -81.2 144.3 17.1 34.3 -2.0 72 72 A D - 0 0 17 -2,-0.3 -22,-2.5 -24,-0.2 2,-0.3 -0.491 42.8-164.0 -66.8 136.1 18.0 36.4 -5.0 73 73 A I E -gH 50 81C 0 8,-0.5 8,-1.9 -24,-0.2 2,-0.3 -0.852 13.5-178.4-123.9 156.7 20.6 34.7 -7.2 74 74 A Y E -g 51 0C 27 -24,-2.1 -22,-2.9 -2,-0.3 -21,-0.4 -0.919 11.4-150.9-141.6 165.2 23.0 35.7 -10.0 75 75 A A > - 0 0 13 -2,-0.3 3,-2.6 -24,-0.2 -24,-0.0 -0.905 51.2 -57.9-133.0 165.1 25.6 34.0 -12.3 76 76 A K T 3 S+ 0 0 187 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 -0.148 123.7 7.3 -47.6 131.1 28.7 35.5 -13.9 77 77 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.361 107.5 107.6 81.2 -2.7 27.9 38.5 -16.1 78 78 A M < - 0 0 77 -3,-2.6 -3,-0.2 1,-0.1 -1,-0.2 -0.876 64.7-146.4-112.3 139.6 24.2 38.6 -15.1 79 79 A N S S- 0 0 113 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.905 89.1 -25.3 -64.5 -41.6 22.5 41.1 -12.8 80 80 A F - 0 0 29 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.3 -0.940 61.6-150.5-152.9 167.9 20.3 38.2 -11.6 81 81 A V B -H 73 0C 18 -8,-1.9 -8,-0.5 -2,-0.3 17,-0.2 -0.974 18.2-139.4-134.7 152.1 19.1 34.9 -13.0 82 82 A F S S- 0 0 16 -2,-0.3 13,-2.8 1,-0.2 2,-0.3 0.714 82.9 -34.9 -74.6 -21.8 15.9 33.0 -12.3 83 83 A G E -D 94 0A 13 11,-0.2 2,-0.3 -10,-0.1 -1,-0.2 -0.981 51.3-129.1-177.8 178.2 17.9 29.8 -12.2 84 84 A E E -D 93 0A 56 9,-1.7 9,-2.7 -2,-0.3 2,-0.3 -0.970 24.0-175.1-151.8 141.0 20.8 27.8 -13.5 85 85 A A E -D 92 0A 24 -2,-0.3 2,-0.8 7,-0.3 7,-0.2 -0.974 32.8-116.8-137.9 152.9 20.9 24.3 -14.8 86 86 A E > - 0 0 54 5,-2.7 3,-2.2 -2,-0.3 2,-0.3 -0.828 42.7-125.2 -83.7 110.9 23.3 21.6 -16.0 87 87 A L T 3 S- 0 0 96 -2,-0.8 35,-0.2 1,-0.3 34,-0.1 -0.435 91.0 -10.8 -64.0 116.1 22.2 21.0 -19.6 88 88 A G T 3 S+ 0 0 43 33,-2.2 -1,-0.3 -2,-0.3 34,-0.2 0.612 122.3 103.9 65.2 15.7 21.5 17.3 -19.9 89 89 A G S < S- 0 0 25 -3,-2.2 -1,-0.1 32,-0.2 -2,-0.1 0.366 83.6 -93.4 -97.5-133.5 23.2 16.9 -16.4 90 90 A A S S+ 0 0 12 1,-0.1 -25,-2.6 -27,-0.1 -26,-0.6 0.677 85.5 57.7-123.4 -27.0 21.7 16.2 -13.0 91 91 A R E +c 65 0A 44 -27,-0.2 -5,-2.7 -28,-0.1 2,-0.3 -0.835 42.4 165.2-125.2 147.3 21.2 19.5 -11.1 92 92 A A E -cD 66 85A 0 -27,-2.1 -25,-2.8 -2,-0.3 2,-0.4 -0.963 18.9-145.5-146.6 164.9 19.5 22.9 -11.3 93 93 A V E -cD 67 84A 0 -9,-2.7 -9,-1.7 -2,-0.3 2,-0.4 -0.989 9.3-167.7-131.6 139.9 18.6 25.8 -9.0 94 94 A L E -cD 68 83A 0 -27,-2.5 -25,-2.3 -2,-0.4 2,-0.5 -0.994 5.4-158.8-120.4 135.6 15.5 28.0 -9.1 95 95 A S E -c 69 0A 2 -13,-2.8 3,-0.2 -2,-0.4 -25,-0.2 -0.961 7.2-168.3-110.6 134.3 15.1 31.2 -7.2 96 96 A V >> + 0 0 3 -27,-2.7 3,-1.4 -2,-0.5 4,-0.6 0.436 64.8 99.7 -96.0 1.7 11.6 32.5 -6.5 97 97 A F G >4 S+ 0 0 49 -28,-0.5 3,-1.0 -26,-0.4 -1,-0.2 0.890 82.2 45.3 -54.9 -47.8 12.9 35.9 -5.3 98 98 A R G 34 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.2 42,-0.2 0.571 106.1 64.6 -77.8 -6.6 12.3 37.8 -8.6 99 99 A L G <4 + 0 0 0 -3,-1.4 -1,-0.2 -17,-0.1 -2,-0.2 0.591 69.2 130.1 -90.2 -11.3 8.8 36.2 -8.9 100 100 A T << + 0 0 23 -3,-1.0 2,-0.3 -4,-0.6 3,-0.1 -0.103 28.7 154.7 -52.7 133.7 7.3 37.8 -5.8 101 101 A T - 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