==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-APR-08 3D03 . COMPND 2 MOLECULE: PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER AEROGENES; . AUTHOR K.S.HADLER,E.TANIFUM,S.H.-C.YIP,N.MITI,L.W.GUDDAT, . 1632 6 6 0 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1077 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 186 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 157 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 6 0 0 0 6 6 0 5 1 5 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 0 24 6 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 . 13 12 5 8 5 0 0 6 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 . 6 1 0 0 0 0 0 0 0 6 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 41 0, 0.0 241,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.3 33.2 9.3 2.2 2 2 A L E -A 241 0A 4 239,-0.2 41,-3.5 39,-0.1 42,-0.9 -0.967 360.0-179.9-135.5 121.9 35.0 8.8 5.4 3 3 A L E -Ab 240 44A 0 237,-2.2 237,-2.7 -2,-0.4 2,-0.5 -0.972 20.8-147.4-119.2 136.4 34.1 11.1 8.4 4 4 A A E -Ab 239 45A 0 40,-2.1 42,-3.0 -2,-0.4 2,-0.6 -0.914 21.7-162.8 -97.7 128.4 35.7 10.9 11.8 5 5 A H E +Ab 238 46A 0 233,-2.7 233,-2.3 -2,-0.5 2,-0.3 -0.960 15.6 167.4-122.6 111.5 32.9 12.0 14.3 6 6 A I E - b 0 47A 2 40,-3.1 42,-2.0 -2,-0.6 2,-0.3 -0.810 11.1-169.8-115.3 169.6 33.8 13.1 17.8 7 7 A S + 0 0 0 206,-0.3 208,-1.5 -2,-0.3 43,-0.1 -0.991 48.8 22.8-155.5 158.0 31.6 14.8 20.4 8 8 A D + 0 0 0 41,-2.1 208,-0.5 -2,-0.3 207,-0.3 0.898 51.5 168.6 52.9 54.5 31.4 16.6 23.7 9 9 A T - 0 0 1 40,-0.4 42,-0.2 205,-0.1 19,-0.1 0.798 21.1-161.7 -66.2 -32.5 35.0 17.8 24.0 10 10 A H - 0 0 3 40,-2.7 42,-0.3 42,-0.3 43,-0.2 0.844 13.3-163.0 48.4 44.8 34.1 20.1 27.0 11 11 A F B -k 52 0B 0 40,-2.6 42,-2.1 39,-0.1 43,-0.4 -0.231 2.9-157.0 -55.0 145.5 37.2 22.2 26.7 12 12 A R - 0 0 9 4,-0.2 3,-0.1 1,-0.2 50,-0.1 -0.626 30.8 -69.2-113.7 175.8 38.2 24.4 29.7 13 13 A S S > S- 0 0 18 -2,-0.2 3,-2.5 1,-0.2 -1,-0.2 -0.192 70.2 -74.4 -59.0 155.2 40.3 27.6 30.1 14 14 A R T 3 S+ 0 0 94 44,-0.3 -1,-0.2 1,-0.3 3,-0.1 -0.313 122.2 9.9 -54.8 123.7 44.0 27.4 29.6 15 15 A G T 3 S+ 0 0 56 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.473 103.9 114.2 85.0 -0.0 45.5 25.7 32.6 16 16 A E < - 0 0 55 -3,-2.5 2,-0.3 817,-0.1 9,-0.3 -0.798 52.7-147.7-104.4 148.6 42.2 24.6 34.1 17 17 A K > - 0 0 44 -2,-0.3 3,-1.9 6,-0.1 6,-0.2 -0.872 32.1 -97.4-109.8 148.4 41.0 21.0 34.5 18 18 A L B >> S-L 22 0C 0 4,-2.5 4,-2.6 -2,-0.3 3,-1.6 -0.483 110.6 -5.9 -63.4 125.7 37.4 19.8 34.2 19 19 A Y T 34 S- 0 0 17 523,-0.4 -1,-0.3 524,-0.3 833,-0.1 0.622 125.7 -73.6 56.9 16.3 36.1 19.4 37.8 20 20 A G T <4 S+ 0 0 28 -3,-1.9 828,-0.3 2,-0.2 -1,-0.3 0.313 131.3 48.9 83.5 -6.8 39.6 20.2 38.9 21 21 A F T <4 S+ 0 0 24 -3,-1.6 2,-0.7 827,-0.2 -2,-0.2 0.558 80.0 85.4-141.5 -10.4 41.1 16.9 38.0 22 22 A I B < -L 18 0C 6 -4,-2.6 -4,-2.5 1,-0.0 2,-2.2 -0.889 65.2-146.9 -97.9 112.9 40.1 15.7 34.4 23 23 A D > + 0 0 41 -2,-0.7 4,-2.5 -6,-0.2 5,-0.2 -0.514 31.5 164.2 -80.7 77.7 42.6 17.2 32.0 24 24 A V H > S+ 0 0 0 -2,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.822 71.5 55.7 -64.1 -33.4 40.1 17.6 29.1 25 25 A N H > S+ 0 0 16 -9,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.947 112.1 41.3 -68.2 -45.1 42.4 20.0 27.2 26 26 A A H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 114.5 52.3 -65.5 -40.6 45.3 17.5 27.2 27 27 A A H X S+ 0 0 32 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.911 111.1 47.1 -64.8 -40.6 43.0 14.6 26.4 28 28 A N H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.844 109.1 54.2 -69.0 -34.3 41.5 16.5 23.4 29 29 A A H X S+ 0 0 5 -4,-1.9 4,-2.3 1082,-0.3 -2,-0.2 0.893 108.6 49.5 -61.7 -45.4 45.1 17.4 22.2 30 30 A D H X S+ 0 0 25 -4,-2.4 4,-2.6 1081,-0.2 -2,-0.2 0.953 111.7 49.6 -55.9 -49.1 46.0 13.7 22.3 31 31 A V H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.917 109.0 50.9 -59.4 -49.3 42.8 12.9 20.3 32 32 A V H X S+ 0 0 2 -4,-2.9 4,-3.0 2,-0.2 39,-0.2 0.931 112.0 47.1 -52.5 -49.3 43.5 15.6 17.7 33 33 A S H X S+ 0 0 3 -4,-2.3 4,-1.4 2,-0.2 1592,-0.4 0.888 110.2 53.9 -63.7 -37.0 47.1 14.2 17.2 34 34 A Q H < S+ 0 0 27 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.934 111.0 45.5 -57.9 -46.8 45.5 10.7 17.0 35 35 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.917 111.2 52.7 -62.9 -44.6 43.2 11.9 14.2 36 36 A N H 3< S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.770 109.0 52.2 -58.2 -28.0 46.1 13.7 12.4 37 37 A A T 3< S+ 0 0 21 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.465 77.6 128.7 -90.2 -2.3 48.0 10.4 12.5 38 38 A L < - 0 0 15 -3,-1.3 3,-0.1 -4,-0.3 -3,-0.0 -0.273 50.2-150.9 -60.0 138.7 45.4 8.1 10.9 39 39 A R S S+ 0 0 171 1,-0.2 2,-1.0 2,-0.1 -1,-0.1 0.882 95.6 51.6 -75.2 -44.3 46.7 6.0 8.0 40 40 A E S S- 0 0 87 -3,-0.0 -1,-0.2 459,-0.0 -2,-0.1 -0.847 96.0-148.5 -93.9 101.0 43.2 6.0 6.4 41 41 A R - 0 0 121 -2,-1.0 -39,-0.1 -3,-0.1 -5,-0.1 -0.600 4.7-127.9 -84.6 127.1 42.6 9.7 6.5 42 42 A P - 0 0 5 0, 0.0 -39,-0.2 0, 0.0 3,-0.1 -0.208 11.3-131.0 -60.3 157.1 39.0 11.0 6.9 43 43 A D S S- 0 0 77 -41,-3.5 2,-0.3 1,-0.3 -40,-0.2 0.701 86.8 -11.8 -80.9 -24.1 37.6 13.5 4.4 44 44 A A E -b 3 0A 1 -42,-0.9 -40,-2.1 28,-0.1 2,-0.4 -0.968 64.4-120.8-166.7 166.3 36.4 15.7 7.3 45 45 A V E -bc 4 74A 0 28,-2.2 30,-2.4 -2,-0.3 2,-0.5 -0.979 19.7-153.3-120.5 128.6 35.9 15.6 11.1 46 46 A V E -bc 5 75A 0 -42,-3.0 -40,-3.1 -2,-0.4 2,-0.5 -0.883 6.1-169.0 -98.5 130.9 32.5 16.2 12.7 47 47 A V E -bc 6 76A 0 28,-3.0 30,-2.1 -2,-0.5 2,-1.0 -0.918 8.7-160.8-118.8 108.3 32.3 17.7 16.3 48 48 A S E - c 0 77A 0 -42,-2.0 146,-0.3 -2,-0.5 147,-0.2 -0.230 44.7 -73.7 -97.1 50.1 28.7 17.4 17.5 49 49 A G S S+ 0 0 0 -2,-1.0 -41,-2.1 28,-0.7 -40,-0.4 -0.082 94.0 85.9 99.4 176.8 28.5 19.9 20.3 50 50 A D + 0 0 2 -42,-0.2 -40,-2.7 -43,-0.1 -39,-0.1 0.940 51.2 163.4 42.1 57.9 29.3 20.7 23.9 51 51 A I + 0 0 0 -42,-0.2 -40,-2.6 -43,-0.2 2,-0.2 0.944 63.3 27.1 -66.8 -48.6 32.5 22.1 22.5 52 52 A V B S-k 11 0B 0 -42,-0.3 -42,-0.3 -43,-0.1 -40,-0.2 -0.673 76.4-133.9-107.5 167.4 33.3 24.1 25.7 53 53 A N S S+ 0 0 1 -42,-2.1 -41,-0.1 -2,-0.2 -1,-0.1 0.822 96.2 18.4 -88.1 -33.6 32.2 23.3 29.2 54 54 A a S S- 0 0 27 -43,-0.4 28,-0.1 2,-0.1 -1,-0.1 0.205 97.9-112.7-129.0 5.8 31.0 26.6 30.6 55 55 A G + 0 0 15 26,-0.4 31,-0.1 1,-0.2 27,-0.1 0.729 65.9 150.5 61.8 30.5 30.4 28.7 27.5 56 56 A R >> - 0 0 64 1,-0.1 4,-1.5 30,-0.0 3,-1.1 -0.670 56.2-125.9-100.1 145.1 33.2 31.1 28.5 57 57 A P H 3> S+ 0 0 49 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.866 109.6 57.4 -53.9 -39.6 35.4 33.1 26.0 58 58 A E H 3> S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -44,-0.3 0.803 104.6 52.0 -65.0 -26.3 38.7 31.6 27.5 59 59 A E H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.839 106.5 53.6 -75.4 -35.3 37.5 28.0 26.8 60 60 A Y H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.815 102.1 58.9 -69.6 -27.1 36.8 29.0 23.1 61 61 A Q H X S+ 0 0 107 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.944 110.6 42.2 -63.5 -43.8 40.4 30.3 22.9 62 62 A V H X S+ 0 0 6 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.932 113.7 51.6 -66.3 -45.2 41.5 26.7 23.8 63 63 A A H X>S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.6 0.902 109.2 51.1 -58.2 -42.6 38.9 25.1 21.5 64 64 A R H X5S+ 0 0 106 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.895 112.4 46.3 -63.1 -43.1 40.0 27.2 18.6 65 65 A Q H <5S+ 0 0 26 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.933 119.8 36.9 -62.9 -50.8 43.7 26.3 19.1 66 66 A I H ><5S+ 0 0 16 -4,-2.6 3,-1.3 2,-0.2 -2,-0.2 0.963 123.5 39.9 -75.1 -49.8 43.2 22.6 19.5 67 67 A L H ><5S+ 0 0 1 -4,-2.6 3,-1.9 -5,-0.3 -3,-0.2 0.893 111.0 62.5 -63.2 -37.9 40.4 22.0 17.0 68 68 A G T 3< - 0 0 0 -2,-0.1 3,-1.2 41,-0.1 -30,-0.1 -0.686 45.8 -84.2-124.7-177.9 25.5 21.9 22.4 80 80 A N T 3 S+ 0 0 27 1,-0.2 45,-0.2 -2,-0.2 46,-0.1 0.745 126.0 59.7 -62.1 -23.8 23.8 23.2 25.5 81 81 A H T 3 S+ 0 0 44 -29,-0.1 -26,-0.4 46,-0.1 -1,-0.2 0.649 94.0 88.1 -80.5 -15.2 27.2 24.0 27.2 82 82 A D S < S- 0 0 15 -3,-1.2 2,-0.5 -28,-0.1 3,-0.1 -0.488 75.3-135.1 -77.7 152.8 28.1 26.3 24.3 83 83 A D > - 0 0 66 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.964 16.2-145.3-102.9 122.8 27.2 30.0 24.1 84 84 A K H > S+ 0 0 38 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.857 94.8 48.0 -59.3 -44.4 25.9 30.6 20.5 85 85 A A H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 117.3 40.5 -64.2 -45.1 27.4 34.1 20.1 86 86 A L H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.869 110.8 58.9 -70.7 -38.2 30.9 33.2 21.3 87 87 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.5 0.935 111.5 41.8 -54.4 -47.7 30.7 29.8 19.4 88 88 A L H X S+ 0 0 29 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.946 113.6 52.3 -65.8 -47.6 30.2 31.8 16.2 89 89 A E H < S+ 0 0 123 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 123.5 27.1 -56.2 -46.4 32.8 34.5 17.1 90 90 A Y H < S+ 0 0 44 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.795 130.8 32.8 -90.0 -31.8 35.6 31.9 17.8 91 91 A L H >X S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.4 4,-1.0 0.619 89.7 87.2-109.8 -12.7 34.7 28.9 15.6 92 92 A Q G >< S+ 0 0 54 -4,-1.9 3,-1.1 -5,-0.5 6,-0.2 0.898 86.1 59.5 -57.8 -39.0 33.1 30.3 12.5 93 93 A P G 34 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.803 106.6 48.2 -61.7 -22.0 36.5 30.7 10.9 94 94 A L G <4 S+ 0 0 43 -3,-1.4 -20,-0.6 1,-0.2 -2,-0.2 0.636 129.0 22.8 -82.8 -16.6 37.0 26.9 11.3 95 95 A C S X< S+ 0 0 0 -3,-1.1 3,-1.6 -4,-1.0 -1,-0.2 -0.563 70.9 169.7-148.3 70.6 33.5 26.1 9.8 96 96 A P G > + 0 0 69 0, 0.0 3,-1.4 0, 0.0 -4,-0.1 0.706 66.0 76.4 -66.6 -15.9 32.5 29.1 7.7 97 97 A Q G 3 S+ 0 0 93 1,-0.3 9,-0.2 -5,-0.1 11,-0.2 0.537 75.6 78.6 -75.8 -3.4 29.5 27.3 6.2 98 98 A L G < S- 0 0 7 -3,-1.6 8,-1.0 1,-0.2 3,-0.3 0.796 97.1-138.7 -66.5 -34.1 27.6 27.9 9.4 99 99 A G < - 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