==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-11 3ZT9 . COMPND 2 MOLECULE: SERINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR M.B.QUIN,J.M.BERRISFORD,J.A.NEWMAN,A.BASLE,R.J.LEWIS,J.MARLE . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 2 1 1 1 1 1 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 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 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 E 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.4 7.1 2.5 88.6 2 3 A K - 0 0 147 1,-0.1 2,-0.6 0, 0.0 190,-0.0 -0.165 360.0-119.0 -62.0 146.4 8.7 1.5 85.3 3 4 A L - 0 0 1 188,-0.0 2,-0.4 137,-0.0 -1,-0.1 -0.787 28.6-140.7 -82.1 121.3 12.1 2.9 84.2 4 5 A E - 0 0 48 188,-2.7 188,-2.4 -2,-0.6 2,-0.4 -0.695 22.8-171.8 -81.5 133.5 11.4 4.7 80.9 5 6 A V E -A 191 0A 21 -2,-0.4 2,-0.4 186,-0.2 186,-0.2 -0.991 10.9-169.2-135.0 132.3 14.3 4.2 78.4 6 7 A G E -A 190 0A 0 184,-2.9 184,-2.0 -2,-0.4 2,-0.4 -0.942 4.1-168.8-116.5 140.3 14.9 5.8 75.0 7 8 A I E +A 189 0A 59 -2,-0.4 2,-0.4 182,-0.2 182,-0.2 -0.990 7.3 174.5-125.2 139.6 17.6 4.7 72.5 8 9 A Y E +A 188 0A 35 180,-2.4 180,-2.5 -2,-0.4 2,-0.3 -0.998 1.0 171.9-140.1 136.6 18.7 6.5 69.3 9 10 A T E -A 187 0A 64 -2,-0.4 2,-0.3 178,-0.2 178,-0.2 -0.979 4.8-177.8-137.3 155.1 21.5 5.7 66.9 10 11 A R E -A 186 0A 44 176,-2.1 176,-2.6 -2,-0.3 9,-0.1 -0.945 24.9-123.5-151.2 128.5 22.5 7.2 63.5 11 12 A A - 0 0 24 -2,-0.3 7,-0.2 174,-0.2 3,-0.1 -0.407 41.0 -89.0 -67.9 148.0 25.3 6.1 61.2 12 13 A R > - 0 0 85 5,-0.2 3,-2.5 1,-0.1 171,-0.2 -0.247 65.0 -81.5 -43.6 136.4 28.0 8.5 60.0 13 14 A E T 3 S+ 0 0 120 169,-2.7 -1,-0.1 1,-0.3 3,-0.1 -0.155 118.8 19.4 -50.4 133.0 26.8 10.3 56.9 14 15 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.266 99.9 110.8 86.1 -15.1 27.3 8.1 53.8 15 16 A E < - 0 0 59 -3,-2.5 -1,-0.3 1,-0.1 -4,-0.1 -0.620 55.1-155.4 -87.2 152.6 27.6 4.8 55.8 16 17 A I S S+ 0 0 170 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.467 80.6 50.8-103.3 -3.9 24.9 2.1 55.6 17 18 A A S S- 0 0 29 -5,-0.1 2,-0.5 -7,-0.0 25,-0.5 -0.997 83.0-125.2-132.8 137.8 25.7 0.5 59.0 18 19 A C - 0 0 27 -2,-0.4 -7,-0.1 -7,-0.2 23,-0.1 -0.713 9.8-153.0 -82.7 124.2 26.1 2.3 62.3 19 20 A G S S+ 0 0 0 -2,-0.5 19,-2.7 -9,-0.1 2,-0.3 0.470 74.6 73.2 -78.4 -0.4 29.4 1.7 64.0 20 21 A D E -E 37 0B 3 17,-0.2 2,-0.3 166,-0.2 17,-0.2 -0.728 65.5-159.9-103.8 161.7 28.0 2.3 67.5 21 22 A A E -E 36 0B 1 15,-2.5 15,-3.1 -2,-0.3 2,-0.3 -0.998 4.6-155.5-142.8 150.3 25.7 -0.0 69.4 22 23 A C E -E 35 0B 25 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.915 5.0-169.5-122.1 147.8 23.2 0.2 72.3 23 24 A L E +E 34 0B 15 11,-2.4 11,-2.6 -2,-0.3 2,-0.4 -0.999 8.4 175.8-135.1 131.9 21.9 -2.3 74.9 24 25 A V E +E 33 0B 36 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.970 15.2 171.7-127.7 121.9 19.0 -2.0 77.4 25 26 A K E -E 32 0B 73 7,-2.3 7,-3.0 -2,-0.4 2,-0.5 -0.995 19.1-155.1-139.3 129.5 18.4 -5.2 79.3 26 27 A R E +E 31 0B 114 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.900 17.7 170.4-110.9 129.5 16.0 -5.7 82.2 27 28 A V E > -E 30 0B 28 3,-2.8 3,-1.6 -2,-0.5 -2,-0.0 -0.858 65.0 -39.1-146.9 98.0 16.7 -8.5 84.6 28 29 A E T 3 S- 0 0 107 -2,-0.3 63,-0.1 1,-0.3 3,-0.1 0.935 121.8 -39.5 52.4 62.4 14.8 -8.9 87.9 29 30 A G T 3 S+ 0 0 47 1,-0.2 61,-1.4 61,-0.1 62,-0.9 0.554 122.2 105.2 64.9 2.7 14.7 -5.2 89.0 30 31 A V E < -EF 27 89B 1 -3,-1.6 -3,-2.8 59,-0.2 2,-0.4 -0.975 53.4-165.6-112.4 127.2 18.2 -4.7 87.7 31 32 A I E -EF 26 88B 6 57,-2.5 57,-3.1 -2,-0.5 2,-0.4 -0.887 5.4-155.2-115.8 136.0 18.6 -2.8 84.4 32 33 A F E -EF 25 87B 0 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.4 -0.921 8.5-172.4-108.2 136.8 21.7 -2.7 82.3 33 34 A L E +EF 24 86B 0 53,-2.3 53,-2.5 -2,-0.4 2,-0.4 -0.993 12.7 170.9-129.7 125.7 22.4 0.2 79.9 34 35 A A E -EF 23 85B 0 -11,-2.6 -11,-2.4 -2,-0.4 2,-0.4 -0.988 19.2-171.1-141.6 145.3 25.3 0.1 77.6 35 36 A V E -EF 22 84B 0 49,-1.6 49,-2.1 -2,-0.4 2,-0.3 -0.999 10.4-172.3-130.8 136.2 26.8 1.9 74.6 36 37 A G E -EF 21 83B 0 -15,-3.1 -15,-2.5 -2,-0.4 2,-0.4 -0.918 9.8-161.7-123.0 152.4 29.6 0.7 72.5 37 38 A D E -EF 20 82B 11 45,-2.6 45,-2.0 -2,-0.3 -17,-0.2 -0.940 17.5-142.1-132.5 108.3 31.5 2.6 69.7 38 39 A G E - F 0 81B 0 -19,-2.7 43,-0.3 -2,-0.4 7,-0.2 -0.458 38.0 -91.6 -70.1 142.1 33.5 0.4 67.4 39 40 A I S S- 0 0 64 41,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.251 94.9 -10.1 -57.5 129.0 36.9 1.8 66.3 40 41 A G S S- 0 0 38 -3,-0.1 2,-0.2 5,-0.1 -21,-0.0 -0.487 95.7 -77.0 84.8-151.7 36.3 3.8 63.1 41 42 A H S > S+ 0 0 69 -2,-0.2 4,-0.7 143,-0.1 3,-0.4 -0.777 76.2 50.0-138.5 178.5 33.1 3.6 61.2 42 43 A G H > S- 0 0 2 -25,-0.5 4,-2.4 -2,-0.2 3,-0.4 -0.184 103.1 -37.5 83.7-173.7 31.2 1.4 58.8 43 44 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.785 134.1 55.4 -63.3 -29.3 30.4 -2.3 59.0 44 45 A E H > S+ 0 0 119 -3,-0.4 4,-1.5 2,-0.2 35,-0.5 0.901 111.8 44.2 -70.2 -35.3 33.7 -3.3 60.6 45 46 A A H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.4 5,-0.2 0.899 112.9 52.1 -69.5 -40.1 33.2 -0.8 63.4 46 47 A A H X S+ 0 0 15 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.902 105.6 55.0 -62.7 -43.0 29.6 -2.0 63.7 47 48 A R H X S+ 0 0 159 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.928 111.6 44.8 -55.1 -43.6 30.7 -5.6 63.9 48 49 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.933 112.2 49.4 -71.3 -42.7 32.9 -4.7 66.9 49 50 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -30,-0.2 -1,-0.2 0.913 114.0 47.4 -62.8 -40.1 30.3 -2.6 68.7 50 51 A E H X S+ 0 0 99 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.879 109.0 53.0 -71.7 -37.4 27.8 -5.4 68.3 51 52 A I H X S+ 0 0 35 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.929 109.6 50.3 -58.0 -44.7 30.2 -8.0 69.5 52 53 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.936 112.9 45.2 -59.1 -49.0 30.9 -5.9 72.6 53 54 A I H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.921 114.2 48.5 -60.0 -45.1 27.1 -5.5 73.3 54 55 A A H X S+ 0 0 59 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.894 110.7 51.6 -65.3 -40.2 26.4 -9.2 72.7 55 56 A S H X S+ 0 0 7 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.900 109.7 49.6 -61.3 -45.4 29.3 -10.1 75.0 56 57 A M H >X S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.940 109.3 51.2 -58.4 -47.9 27.9 -7.9 77.8 57 58 A E H >< S+ 0 0 96 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.914 109.6 50.1 -59.9 -39.7 24.5 -9.3 77.5 58 59 A S H 3< S+ 0 0 94 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.763 113.8 46.9 -70.0 -20.1 25.9 -12.8 77.8 59 60 A S H X< S+ 0 0 9 -4,-1.0 3,-1.5 -3,-0.9 -1,-0.2 0.281 79.0 142.1-106.9 6.8 27.9 -11.8 80.9 60 61 A M T << + 0 0 27 -3,-1.1 -3,-0.1 -4,-0.5 -4,-0.0 -0.178 67.4 17.7 -54.3 143.5 25.2 -10.0 82.9 61 62 A N T 3 S+ 0 0 67 1,-0.1 -1,-0.3 -34,-0.0 3,-0.1 0.686 95.9 99.5 62.8 23.6 25.2 -10.4 86.6 62 63 A T S < S- 0 0 77 -3,-1.5 4,-0.4 1,-0.2 -2,-0.1 0.355 97.2 -95.7-103.3 -1.0 28.8 -11.7 86.7 63 64 A G > - 0 0 31 -4,-0.2 4,-2.5 2,-0.1 -1,-0.2 0.159 30.9 -90.5 97.4 142.9 30.1 -8.2 87.7 64 65 A L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.821 121.2 58.3 -61.0 -33.2 31.5 -5.4 85.7 65 66 A V H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.974 112.3 40.1 -61.0 -51.6 35.1 -6.6 86.0 66 67 A N H > S+ 0 0 77 -4,-0.4 4,-2.8 2,-0.2 5,-0.3 0.917 113.6 55.9 -59.7 -43.8 34.3 -9.9 84.4 67 68 A I H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.935 112.6 39.8 -57.6 -46.7 32.0 -8.3 81.9 68 69 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.867 113.4 54.9 -74.8 -33.6 34.6 -5.9 80.5 69 70 A Q H X S+ 0 0 97 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.918 110.7 45.1 -66.7 -42.8 37.4 -8.6 80.6 70 71 A L H X S+ 0 0 19 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.901 109.8 56.1 -66.1 -40.3 35.3 -11.0 78.5 71 72 A C H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.935 107.5 49.3 -52.9 -50.3 34.4 -8.1 76.1 72 73 A H H X S+ 0 0 19 -4,-2.2 4,-0.6 1,-0.2 3,-0.3 0.910 110.7 50.1 -55.3 -45.7 38.1 -7.5 75.6 73 74 A R H >< S+ 0 0 162 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.914 111.0 47.8 -62.8 -42.5 38.7 -11.2 74.9 74 75 A E H 3< S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.745 110.1 54.8 -72.0 -20.9 35.9 -11.4 72.3 75 76 A L H >< S+ 0 0 0 -4,-1.4 3,-2.1 -3,-0.3 -1,-0.2 0.510 74.9 120.5 -91.4 -5.3 37.1 -8.3 70.6 76 77 A R T << S+ 0 0 154 -3,-0.8 49,-0.1 -4,-0.6 3,-0.1 -0.386 81.9 18.6 -58.0 134.4 40.7 -9.5 70.0 77 78 A G T 3 S+ 0 0 73 47,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.452 109.6 93.7 83.5 2.3 41.4 -9.4 66.3 78 79 A T S < S- 0 0 15 -3,-2.1 -1,-0.3 46,-0.1 -33,-0.1 -0.411 100.1 -81.9-108.0-169.3 38.5 -7.1 65.4 79 80 A R S S- 0 0 87 -35,-0.5 -34,-0.1 -2,-0.1 2,-0.1 0.796 70.1-134.2 -61.1 -26.5 38.4 -3.2 65.0 80 81 A G - 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0 0 2 -3,-0.2 2,-0.5 -20,-0.2 45,-0.2 -0.571 52.8-130.1 -71.9 146.9 31.9 6.9 75.9 104 105 A H E -B 147 0A 41 43,-3.0 43,-2.7 -2,-0.2 2,-0.4 -0.883 25.1-177.0-107.7 133.7 30.2 9.6 78.1 105 106 A V E -B 146 0A 5 -2,-0.5 2,-0.4 11,-0.3 41,-0.2 -0.983 2.7-179.8-123.9 137.5 27.9 8.9 81.0 106 107 A K E -B 145 0A 33 39,-2.8 39,-2.8 -2,-0.4 2,-0.5 -0.996 8.1-164.3-135.6 137.7 26.1 11.4 83.1 107 108 A I E -BC 144 114A 0 7,-2.7 7,-3.1 -2,-0.4 2,-0.8 -0.970 4.5-160.9-124.2 114.9 23.9 10.6 86.1 108 109 A L E +BC 143 113A 18 35,-2.4 35,-2.7 -2,-0.5 2,-0.3 -0.865 31.8 165.1 -97.3 107.7 21.5 13.3 87.3 109 110 A S E > - C 0 112A 14 3,-1.7 3,-2.6 -2,-0.8 29,-0.1 -0.827 56.9-109.0-130.0 166.5 20.6 12.1 90.8 110 111 A A T 3 S+ 0 0 68 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.755 122.5 55.4 -62.6 -23.8 19.1 13.3 94.1 111 112 A K T 3 S- 0 0 142 1,-0.3 -1,-0.3 26,-0.3 2,-0.2 0.375 127.2 -79.2 -87.2 -1.8 22.7 13.1 95.4 112 113 A G E < -C 109 0A 31 -3,-2.6 -3,-1.7 2,-0.1 2,-0.6 -0.543 57.3 -56.0 127.5 170.7 24.0 15.4 92.7 113 114 A I E -C 108 0A 90 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.782 60.1-169.4 -87.0 122.0 25.0 15.4 89.0 114 115 A I E -C 107 0A 54 -7,-3.1 -7,-2.7 -2,-0.6 -2,-0.1 -0.952 18.2-166.0-124.0 127.6 27.7 12.7 88.7 115 116 A T - 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