==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-OCT-07 3B4R . COMPND 2 MOLECULE: PUTATIVE ZINC METALLOPROTEASE MJ0392; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR P.D.JEFFREY,L.FENG,H.YAN,Z.WU,N.YAN,Z.WANG,Y.SHI . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 84.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 55.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 0 0 0 0 0 1 2 3 1 0 0 0 0 0 1 1 0 3 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 Y 0 0 238 0, 0.0 16,-1.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 105.1 -63.7 7.1 -6.2 2 4 A S E -A 16 0A 42 14,-0.2 2,-0.5 15,-0.1 14,-0.2 -0.702 360.0-129.3-114.3 168.8 -60.1 5.8 -6.4 3 5 A I E -A 15 0A 97 12,-0.9 12,-0.9 -2,-0.2 13,-0.0 -0.979 23.0-118.7-127.1 122.6 -58.9 2.2 -6.4 4 6 A R E +A 14 0A 137 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.179 35.7 166.3 -52.9 144.2 -56.1 1.0 -4.1 5 7 A L E - 0 0 93 8,-1.1 2,-0.3 1,-0.2 -1,-0.1 0.597 55.7 -64.0-124.5 -58.3 -53.1 -0.4 -5.9 6 8 A F E -A 13 0A 114 7,-1.0 7,-1.1 5,-0.1 2,-0.4 -0.875 43.9-102.6 172.7 159.7 -50.3 -0.6 -3.2 7 9 A K E -A 12 0A 131 -2,-0.3 2,-0.4 5,-0.2 3,-0.0 -0.849 29.2-171.0-106.0 135.7 -48.3 1.5 -1.0 8 10 A I E > S-A 11 0A 66 3,-1.7 3,-2.2 -2,-0.4 -2,-0.0 -0.948 70.8 -5.4-122.4 145.5 -44.7 2.5 -1.6 9 11 A M T 3 S- 0 0 91 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.746 130.8 -57.0 43.5 29.8 -42.2 4.2 0.7 10 12 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.773 112.0 115.4 78.1 26.8 -45.2 4.6 3.1 11 13 A I E < -A 8 0A 1 -3,-2.2 -3,-1.7 59,-0.0 2,-0.3 -0.990 66.7-119.5-134.1 127.0 -47.5 6.5 0.8 12 14 A P E -A 7 0A 15 0, 0.0 58,-0.7 0, 0.0 2,-0.6 -0.450 24.5-156.7 -64.7 123.8 -50.9 5.3 -0.6 13 15 A I E +Ab 6 70A 3 -7,-1.1 -8,-1.1 -2,-0.3 -7,-1.0 -0.914 18.4 177.4-108.6 113.7 -50.9 5.0 -4.4 14 16 A E E -Ab 4 71A 4 56,-3.5 58,-1.8 -2,-0.6 2,-0.5 -0.649 26.7-134.4-112.7 167.5 -54.4 5.2 -6.0 15 17 A L E -Ab 3 72A 22 -12,-0.9 -12,-0.9 56,-0.2 58,-0.1 -0.948 23.2-138.5-125.6 110.2 -55.9 5.2 -9.4 16 18 A H E > -A 2 0A 44 56,-0.8 4,-2.2 -2,-0.5 3,-0.4 -0.267 21.1-117.6 -65.2 151.3 -58.6 7.8 -10.2 17 19 A I H > S+ 0 0 89 -16,-1.0 4,-3.5 1,-0.3 5,-0.4 0.918 118.3 55.9 -54.1 -47.4 -61.7 6.7 -12.2 18 20 A T H > S+ 0 0 69 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.883 109.8 46.8 -51.8 -41.4 -60.7 9.2 -14.8 19 21 A F H > S+ 0 0 10 -3,-0.4 4,-2.5 53,-0.2 -1,-0.3 0.848 113.9 47.2 -69.8 -38.2 -57.3 7.5 -15.0 20 22 A I H X S+ 0 0 56 -4,-2.2 4,-3.9 2,-0.2 5,-0.2 0.954 112.9 46.1 -69.8 -51.6 -58.9 4.0 -15.2 21 23 A L H X S+ 0 0 116 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.938 116.2 49.2 -54.8 -45.0 -61.5 4.9 -17.8 22 24 A F H X S+ 0 0 74 -4,-2.0 4,-1.7 -5,-0.4 -1,-0.2 0.909 112.4 46.5 -60.7 -43.4 -58.5 6.5 -19.6 23 25 A L H X S+ 0 0 38 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.938 110.1 53.7 -65.0 -46.0 -56.4 3.4 -19.1 24 26 A V H X S+ 0 0 87 -4,-3.9 4,-2.8 1,-0.2 -2,-0.2 0.911 107.4 50.2 -53.9 -47.9 -59.2 1.1 -20.3 25 27 A V H X S+ 0 0 72 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.895 113.8 47.5 -58.6 -39.2 -59.6 3.1 -23.5 26 28 A I H X S+ 0 0 20 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.954 110.7 48.6 -67.0 -51.4 -55.8 2.8 -24.0 27 29 A I H >< S+ 0 0 84 -4,-3.4 3,-0.5 1,-0.2 -2,-0.2 0.900 114.6 48.4 -56.0 -40.1 -55.8 -1.0 -23.3 28 30 A G H >X S+ 0 0 36 -4,-2.8 4,-1.7 -5,-0.3 3,-1.5 0.881 109.0 50.7 -68.0 -39.4 -58.6 -1.3 -25.7 29 31 A L H 3< S+ 0 0 91 -4,-2.2 4,-0.5 1,-0.3 6,-0.5 0.587 100.9 65.5 -74.5 -8.5 -56.9 0.8 -28.4 30 32 A S T << S+ 0 0 30 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.279 111.9 34.6 -92.3 7.7 -53.9 -1.5 -27.9 31 33 A I T <4 S+ 0 0 131 -3,-1.5 -2,-0.2 -5,-0.1 -1,-0.1 0.526 104.3 66.1-130.3 -28.6 -56.0 -4.3 -29.2 32 34 A M S < S+ 0 0 145 -4,-1.7 2,-0.3 3,-0.1 -3,-0.1 0.771 124.6 8.6 -68.3 -24.4 -58.2 -2.6 -31.9 33 35 A N S S- 0 0 87 -4,-0.5 2,-1.0 -5,-0.2 0, 0.0 -0.848 95.5 -95.2-141.7 172.7 -55.0 -2.0 -33.7 34 36 A N + 0 0 153 -2,-0.3 2,-1.2 1,-0.1 3,-0.2 -0.347 66.4 141.6 -92.7 55.3 -51.5 -3.3 -33.1 35 37 A S > + 0 0 50 -2,-1.0 4,-1.0 -6,-0.5 3,-0.3 -0.360 20.8 157.7 -89.7 54.5 -50.4 -0.3 -31.1 36 38 A I H >> + 0 0 74 -2,-1.2 3,-1.5 1,-0.2 4,-1.3 0.920 66.1 40.1 -43.1 -71.9 -48.4 -2.6 -28.8 37 39 A F H 3> S+ 0 0 75 1,-0.3 4,-3.6 -3,-0.2 5,-0.2 0.767 102.2 72.9 -56.6 -27.7 -45.8 -0.2 -27.3 38 40 A W H 3> S+ 0 0 170 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.886 102.3 42.2 -56.1 -38.1 -48.4 2.6 -27.1 39 41 A A H X S+ 0 0 69 -4,-1.7 4,-2.3 1,-0.2 3,-1.4 0.877 111.5 52.9 -55.9 -44.0 -41.6 8.1 -8.7 52 54 A H H 3X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.957 111.4 45.6 -59.2 -49.0 -41.4 11.8 -9.6 53 55 A E H 3< S+ 0 0 26 -4,-3.0 4,-0.4 1,-0.2 -1,-0.3 0.399 110.6 58.6 -75.7 7.8 -44.4 12.6 -7.4 54 56 A L H <> S+ 0 0 10 -3,-1.4 4,-2.9 -5,-0.2 -2,-0.2 0.814 103.7 46.3 -99.2 -45.9 -42.7 10.4 -4.7 55 57 A G H X S+ 0 0 10 -4,-2.3 4,-1.6 1,-0.2 5,-0.4 0.951 110.8 54.9 -59.4 -47.9 -39.5 12.3 -4.5 56 58 A H H X S+ 0 0 8 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.934 111.5 47.4 -46.3 -50.1 -41.6 15.4 -4.4 57 59 A S H >> S+ 0 0 0 -4,-0.4 4,-2.1 2,-0.2 3,-1.4 0.961 107.2 52.7 -56.7 -63.2 -43.4 13.7 -1.4 58 60 A Y H >X S+ 0 0 102 -4,-2.9 4,-1.7 1,-0.3 3,-0.6 0.911 107.9 48.2 -39.3 -70.0 -40.3 12.6 0.6 59 61 A V H 3< S+ 0 0 44 -4,-1.6 -1,-0.3 1,-0.3 33,-0.2 0.744 113.2 54.3 -47.9 -23.2 -38.6 15.9 0.8 60 62 A A H XX S+ 0 0 0 -3,-1.4 4,-0.9 -4,-0.7 3,-0.9 0.918 98.4 58.1 -78.8 -46.8 -42.0 17.2 1.9 61 63 A K H XX S+ 0 0 54 -4,-2.1 2,-1.2 -3,-0.6 3,-0.8 0.877 94.8 67.5 -48.2 -43.0 -42.5 14.7 4.7 62 64 A K H 3< S+ 0 0 141 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.011 110.9 35.5 -71.4 34.0 -39.3 16.1 6.2 63 65 A Y H <4 S- 0 0 93 -2,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.298 143.1 -28.4-156.1 -22.7 -41.4 19.3 6.7 64 66 A G H << - 0 0 30 -4,-0.9 2,-3.9 -3,-0.8 18,-0.3 -0.034 56.1-130.6 153.2 95.0 -44.9 18.0 7.5 65 67 A V < + 0 0 87 -4,-0.5 -4,-0.1 1,-0.2 -3,-0.0 -0.118 49.5 148.4 -58.0 49.7 -46.2 14.6 6.3 66 68 A K + 0 0 83 -2,-3.9 2,-0.9 17,-0.2 -1,-0.2 0.415 36.5 121.0 -67.1 7.3 -49.5 16.1 5.0 67 69 A I + 0 0 14 1,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.648 24.5 151.5 -79.2 103.8 -49.1 13.3 2.5 68 70 A E - 0 0 104 12,-2.0 2,-0.2 -2,-0.9 -1,-0.2 0.894 62.9 -6.8 -94.3 -60.8 -52.2 11.0 2.7 69 71 A K - 0 0 56 11,-0.5 11,-0.3 -58,-0.1 -1,-0.2 -0.644 49.5-144.3-126.9-175.0 -52.6 9.5 -0.7 70 72 A I E -b 13 0A 2 -58,-0.7 -56,-3.5 9,-0.2 2,-0.4 -0.766 21.8-178.6-158.1 100.7 -51.3 9.7 -4.2 71 73 A L E -bC 14 78A 20 7,-1.6 7,-2.2 -2,-0.2 2,-0.8 -0.870 24.1-130.1-108.3 142.0 -53.8 9.2 -7.1 72 74 A L E -b 15 0A 9 -58,-1.8 -56,-0.8 -2,-0.4 -53,-0.2 -0.800 19.3-166.2 -95.7 109.7 -52.9 9.3 -10.7 73 75 A L - 0 0 59 -2,-0.8 -56,-0.0 2,-0.1 -58,-0.0 -0.732 38.3-109.8 -88.0 141.8 -55.0 11.6 -12.8 74 76 A P S S+ 0 0 25 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.747 116.5 67.5 -42.4 -26.4 -54.7 11.0 -16.6 75 77 A I S S- 0 0 99 1,-0.1 2,-0.3 122,-0.0 -2,-0.1 -0.517 128.7 -72.9 -94.1 63.1 -52.9 14.4 -16.7 76 78 A G S S- 0 0 24 -2,-1.2 2,-0.3 -4,-0.1 -3,-0.1 -0.650 76.6 -57.8 87.1-138.7 -49.9 13.2 -14.7 77 79 A G - 0 0 11 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.991 34.8-149.2-152.2 141.7 -50.2 12.5 -11.0 78 80 A V B -C 71 0A 65 -7,-2.2 -7,-1.6 -2,-0.3 2,-0.9 -0.937 8.9-147.6-118.0 130.3 -51.2 14.4 -7.8 79 81 A A - 0 0 15 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.814 24.9-130.7 -94.8 100.6 -49.9 13.8 -4.3 80 82 A M + 0 0 70 -2,-0.9 -12,-2.0 -11,-0.3 -11,-0.5 -0.332 46.8 154.0 -54.4 110.5 -52.7 14.5 -1.8 81 83 A M - 0 0 50 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.703 31.2-145.1-129.6-178.5 -51.1 16.8 0.7 82 84 A D + 0 0 100 1,-0.4 -1,-0.1 -18,-0.3 -16,-0.1 -0.078 63.6 3.8-123.7-134.8 -52.2 19.5 3.1 83 85 A K - 0 0 166 -2,-0.1 -1,-0.4 1,-0.1 -17,-0.2 -0.233 62.5-160.4 -56.4 138.7 -50.6 22.7 4.4 84 86 A I - 0 0 85 -3,-0.1 5,-0.1 -18,-0.0 -1,-0.1 -0.981 17.3-122.3-127.2 120.2 -47.2 23.4 2.7 85 87 A P - 0 0 51 0, 0.0 4,-0.4 0, 0.0 3,-0.3 -0.001 9.3-134.4 -51.2 160.2 -44.7 25.8 4.3 86 88 A K S S+ 0 0 102 1,-0.2 4,-0.3 2,-0.1 70,-0.0 0.491 105.7 51.8 -96.9 -5.6 -43.5 28.9 2.4 87 89 A E S S+ 0 0 153 2,-0.1 -1,-0.2 1,-0.1 4,-0.0 0.200 109.2 49.3-112.7 16.5 -39.9 28.2 3.4 88 90 A G S > S+ 0 0 1 -3,-0.3 4,-2.5 2,-0.1 3,-0.5 0.463 85.9 87.4-125.7 -14.8 -39.9 24.6 2.2 89 91 A E H > S+ 0 0 17 -4,-0.4 4,-3.1 1,-0.2 5,-0.3 0.973 79.5 58.8 -49.3 -73.2 -41.4 25.0 -1.2 90 92 A L H > S+ 0 0 31 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.758 115.2 40.5 -29.8 -40.6 -38.2 25.7 -3.2 91 93 A R H > S+ 0 0 110 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.981 114.1 47.4 -76.5 -60.5 -37.0 22.3 -1.9 92 94 A I H X S+ 0 0 15 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.786 113.8 53.7 -50.8 -30.6 -40.2 20.2 -2.2 93 95 A G H >< S+ 0 0 2 -4,-3.1 3,-0.6 -5,-0.3 -1,-0.2 0.973 113.6 36.5 -70.9 -55.9 -40.6 21.6 -5.7 94 96 A I H 3X S+ 0 0 12 -4,-1.5 4,-2.3 -5,-0.3 5,-0.2 0.786 101.7 82.1 -66.3 -28.2 -37.2 20.8 -7.1 95 97 A A H 3X S+ 0 0 5 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.871 93.9 43.5 -41.9 -51.8 -37.4 17.5 -5.1 96 98 A G H S+ 0 0 2 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.854 108.8 52.8 -59.7 -28.0 -37.5 17.1 -10.8 98 100 A L H >X S+ 0 0 41 -4,-2.3 4,-3.9 2,-0.2 3,-0.5 0.983 108.9 48.7 -65.2 -57.6 -34.2 15.8 -9.2 99 101 A V H 3X S+ 0 0 38 -4,-1.8 4,-2.8 1,-0.3 5,-0.3 0.934 115.1 42.5 -45.0 -61.8 -35.6 12.3 -8.7 100 102 A S H 3X S+ 0 0 1 -4,-2.1 4,-0.8 1,-0.2 35,-0.4 0.726 117.8 49.5 -63.6 -19.8 -37.0 12.0 -12.3 101 103 A F H X S+ 0 0 73 -4,-2.7 4,-2.0 2,-0.2 3,-1.4 0.993 111.9 46.9 -70.3 -70.2 -28.9 6.5 -14.5 107 109 A L H 3X S+ 0 0 48 -4,-1.9 4,-1.3 1,-0.3 21,-0.2 0.686 111.2 59.0 -44.8 -20.5 -31.2 4.4 -16.6 108 110 A L H 3< S+ 0 0 43 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.906 107.9 40.6 -76.8 -45.9 -29.6 6.2 -19.5 109 111 A I H << S+ 0 0 100 -4,-1.4 3,-0.5 -3,-1.4 -2,-0.2 0.971 117.7 48.2 -65.0 -54.8 -26.1 5.2 -18.8 110 112 A V H >X S+ 0 0 64 -4,-2.0 3,-2.4 1,-0.3 2,-1.7 0.841 98.3 70.2 -54.5 -37.7 -27.2 1.6 -17.9 111 113 A S T 3< S+ 0 0 4 -4,-1.3 -1,-0.3 -5,-0.4 4,-0.1 -0.121 96.0 55.4 -76.5 42.8 -29.3 1.4 -21.1 112 114 A Q T 34 S+ 0 0 128 -2,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.164 112.2 38.9-150.6 0.7 -26.0 1.3 -23.0 113 115 A F T <4 S- 0 0 174 -3,-2.4 2,-0.2 1,-0.4 -2,-0.2 0.355 133.4 -3.9-129.4 -13.6 -24.5 -1.7 -21.2 114 116 A F < + 0 0 134 -4,-1.6 -1,-0.4 2,-0.0 2,-0.3 -0.875 66.2 142.7-179.6 145.7 -27.8 -3.6 -21.0 115 117 A D - 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