==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-13 4BPA . COMPND 2 MOLECULE: AMPDH2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR C.ARTOLA-RECOLONS,S.MARTINEZ-CABALLERO,M.LEE,C.CARRASCO-LOPE . 482 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.6 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 2 0 2 0 0 4 2 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 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 PARALLEL BRIDGES PER LADDER . 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 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 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 19 A S 0 0 147 0, 0.0 350,-0.1 0, 0.0 354,-0.1 0.000 360.0 360.0 360.0 119.4 -22.5 -19.1 6.4 2 20 A G - 0 0 20 349,-0.2 353,-0.2 2,-0.0 294,-0.2 -0.294 360.0 -82.1 103.5 176.0 -19.3 -18.3 8.4 3 21 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 294,-0.2 -0.281 19.2-148.1-100.3-167.8 -15.5 -19.1 8.7 4 22 A R - 0 0 206 292,-0.4 294,-1.7 -2,-0.1 2,-0.3 -0.864 27.7-114.1-164.2 136.9 -13.2 -21.8 10.1 5 23 A L E -a 298 0A 101 -2,-0.2 2,-0.5 292,-0.2 294,-0.2 -0.561 20.0-164.4 -86.2 137.3 -9.6 -21.1 11.4 6 24 A N E +a 299 0A 37 292,-3.0 294,-2.1 -2,-0.3 3,-0.1 -0.982 14.3 169.6-115.3 125.0 -6.4 -22.4 9.8 7 25 A T + 0 0 88 -2,-0.5 292,-0.1 292,-0.2 -1,-0.1 -0.016 44.9 111.0-122.0 27.1 -3.3 -22.3 12.0 8 26 A D S S+ 0 0 123 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.884 74.5 54.0 -66.6 -39.8 -1.0 -24.4 9.8 9 27 A Y - 0 0 113 -3,-0.1 2,-0.4 291,-0.1 291,-0.0 -0.706 63.6-171.3-105.5 151.0 1.2 -21.4 8.9 10 28 A T - 0 0 96 -2,-0.3 292,-0.2 270,-0.0 2,-0.2 -0.992 23.1-120.2-145.4 130.1 3.0 -19.0 11.2 11 29 A S - 0 0 4 290,-2.5 270,-0.2 -2,-0.4 269,-0.2 -0.441 6.4-158.6 -76.8 138.4 4.8 -15.7 10.3 12 30 A A S S+ 0 0 67 268,-2.9 2,-1.4 1,-0.2 -1,-0.1 0.590 82.2 84.3 -80.0 -13.4 8.5 -15.2 11.0 13 31 A N S S+ 0 0 22 267,-0.3 296,-0.8 266,-0.2 2,-0.3 -0.500 71.4 96.6 -95.8 66.0 7.7 -11.5 10.8 14 32 A Q E +F 308 0B 40 -2,-1.4 2,-0.2 294,-0.2 294,-0.2 -0.988 38.2 163.4-149.9 151.7 6.5 -10.9 14.4 15 33 A D E -F 307 0B 32 292,-1.6 292,-4.0 -2,-0.3 2,-0.2 -0.725 45.9 -43.1-149.5-160.1 7.9 -9.7 17.7 16 34 A S - 0 0 4 109,-0.3 290,-0.1 290,-0.2 308,-0.1 -0.478 29.4-144.2 -80.2 145.8 6.8 -8.4 21.1 17 35 A R S S+ 0 0 6 288,-0.5 2,-0.7 -2,-0.2 -1,-0.1 0.704 84.9 87.4 -72.2 -22.2 4.0 -5.8 21.6 18 36 A V + 0 0 1 1,-0.2 66,-0.2 44,-0.1 -2,-0.2 -0.730 42.6 155.5 -87.3 114.9 6.1 -4.5 24.5 19 37 A Q + 0 0 25 64,-2.5 2,-0.3 -2,-0.7 109,-0.3 0.692 59.2 43.2-106.4 -29.3 8.7 -1.9 23.3 20 38 A F E -g 84 0C 0 63,-1.9 65,-1.9 60,-0.2 2,-0.4 -0.859 56.7-151.9-123.5 154.5 9.3 0.1 26.5 21 39 A I E -gh 85 132C 0 110,-2.7 112,-3.0 -2,-0.3 2,-0.5 -0.995 18.1-158.3-120.4 122.5 9.9 -0.4 30.2 22 40 A V E -gh 86 133C 0 63,-2.3 65,-2.4 -2,-0.4 2,-0.3 -0.891 5.3-149.7-105.9 123.4 8.8 2.4 32.5 23 41 A L E +gh 87 134C 0 110,-2.7 112,-1.3 -2,-0.5 2,-0.3 -0.691 23.1 167.3 -91.3 141.7 10.3 2.8 36.0 24 42 A H - 0 0 2 63,-2.4 2,-0.3 -2,-0.3 65,-0.2 -0.894 28.3-138.3-136.3 167.4 8.3 4.2 38.9 25 43 A Y - 0 0 16 -2,-0.3 65,-0.2 63,-0.2 120,-0.1 -0.907 18.5-135.5-118.4 160.5 8.4 4.6 42.6 26 44 A T - 0 0 21 63,-2.2 66,-0.2 -2,-0.3 64,-0.1 0.765 15.2-142.0 -81.3 -30.3 5.3 4.2 44.8 27 45 A S S S+ 0 0 63 64,-2.6 2,-0.3 62,-0.3 65,-0.2 0.745 79.1 69.6 62.8 25.2 5.4 7.2 47.3 28 46 A T B S-L 91 0D 21 63,-0.5 63,-0.5 64,-0.0 -2,-0.2 -0.981 89.7 -84.7-163.1 164.5 4.0 4.7 49.9 29 47 A D > - 0 0 78 -2,-0.3 4,-2.3 61,-0.1 5,-0.2 -0.016 46.9 -95.4 -70.5 175.1 5.1 1.7 51.9 30 48 A L H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 119.0 49.0 -61.8 -51.2 5.0 -2.0 50.8 31 49 A P H > S+ 0 0 99 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.918 116.3 42.6 -56.1 -44.5 1.6 -3.0 52.4 32 50 A H H > S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 110.4 57.2 -72.2 -34.8 -0.2 0.0 50.9 33 51 A S H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.912 104.2 52.9 -60.0 -43.9 1.6 -0.4 47.5 34 52 A L H X S+ 0 0 33 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.913 112.4 44.6 -58.4 -45.7 0.3 -3.9 47.2 35 53 A G H >X S+ 0 0 35 -4,-1.4 4,-3.1 2,-0.2 3,-0.6 0.948 115.1 46.8 -62.8 -51.3 -3.3 -2.8 47.8 36 54 A I H 3X S+ 0 0 49 -4,-2.7 4,-1.8 1,-0.2 6,-0.9 0.898 114.8 46.5 -59.0 -44.0 -3.1 0.2 45.4 37 55 A L H 3< S+ 0 0 3 -4,-2.8 7,-0.4 -5,-0.2 218,-0.3 0.641 121.3 37.0 -79.4 -14.0 -1.5 -1.7 42.6 38 56 A T H << S+ 0 0 12 -4,-1.0 216,-3.5 -3,-0.6 217,-0.3 0.691 139.8 8.2-105.3 -27.3 -3.9 -4.7 42.9 39 57 A H H < S+ 0 0 143 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.143 104.8 88.2-141.6 22.1 -7.2 -2.8 43.7 40 58 A G S < S- 0 0 48 -4,-1.8 -3,-0.1 2,-0.6 -4,-0.1 0.585 95.1-108.0 -99.0 -11.6 -6.5 1.0 43.3 41 59 A G S S+ 0 0 52 1,-0.4 2,-0.3 -5,-0.2 -4,-0.1 0.559 99.4 85.7 83.5 8.3 -7.2 1.7 39.6 42 60 A V + 0 0 49 -6,-0.9 -2,-0.6 2,-0.0 -1,-0.4 -0.955 60.4 174.6-127.1 149.6 -3.5 2.1 39.1 43 61 A S - 0 0 0 24,-2.4 2,-0.3 -2,-0.3 -5,-0.1 -0.979 20.4-166.1-147.9 159.7 -1.3 -0.9 38.3 44 62 A A - 0 0 0 -7,-0.4 15,-0.3 -2,-0.3 43,-0.2 -0.972 29.7-127.2-143.6 157.1 2.1 -2.2 37.4 45 63 A H S S+ 0 0 0 41,-1.2 14,-2.2 -2,-0.3 15,-1.0 0.864 95.8 27.1 -68.6 -35.8 3.3 -5.5 36.1 46 64 A Y E -Ij 58 87C 7 40,-1.6 42,-2.6 12,-0.2 2,-0.4 -0.939 59.1-166.4-133.0 150.5 6.0 -5.6 38.8 47 65 A L E -Ij 57 88C 0 10,-1.2 10,-2.4 -2,-0.3 2,-0.8 -0.968 13.2-151.6-136.4 117.2 6.4 -4.3 42.3 48 66 A I E -Ij 56 89C 0 40,-2.5 42,-2.4 -2,-0.4 8,-0.2 -0.818 19.8-144.1 -94.9 111.9 9.8 -4.4 44.0 49 67 A G - 0 0 0 6,-2.9 -20,-0.0 -2,-0.8 5,-0.0 -0.120 14.4-125.6 -68.8 166.7 9.5 -4.6 47.8 50 68 A D S S+ 0 0 62 4,-0.1 59,-0.1 59,-0.1 60,-0.1 0.414 74.9 109.5 -95.2 -2.1 11.7 -2.9 50.3 51 69 A D S S- 0 0 45 4,-0.1 3,-0.0 2,-0.1 58,-0.0 0.035 77.6 -87.7 -58.2 177.3 12.5 -6.1 52.2 52 70 A E S S+ 0 0 133 1,-0.3 2,-0.2 2,-0.1 -2,-0.1 -0.921 123.1 30.1-142.8 115.5 15.9 -7.8 52.1 53 71 A P S S- 0 0 74 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.509 113.4-118.7 -70.5 153.1 16.4 -9.6 49.9 54 72 A A - 0 0 4 55,-0.3 2,-0.4 -2,-0.2 192,-0.2 -0.457 23.4-141.8 -68.4 125.1 13.9 -7.5 47.8 55 73 A T - 0 0 23 -2,-0.3 -6,-2.9 190,-0.1 2,-0.5 -0.751 8.5-148.7 -89.8 132.2 10.8 -9.5 46.8 56 74 A V E -Ik 48 247C 1 190,-2.1 192,-3.0 -2,-0.4 2,-0.5 -0.867 10.2-154.4-104.1 127.6 9.5 -8.8 43.3 57 75 A Y E -Ik 47 248C 21 -10,-2.4 -10,-1.2 -2,-0.5 2,-0.8 -0.903 8.4-149.6-106.3 123.2 5.7 -9.2 42.8 58 76 A R E +I 46 0C 69 190,-2.4 -12,-0.2 -2,-0.5 193,-0.1 -0.840 28.4 162.1 -85.3 113.6 4.2 -10.0 39.4 59 77 A L + 0 0 1 -14,-2.2 194,-3.4 -2,-0.8 2,-0.3 0.643 67.0 27.3-104.9 -25.5 0.7 -8.4 39.6 60 78 A V S S- 0 0 1 -15,-1.0 -1,-0.3 192,-0.2 6,-0.1 -0.987 87.5-112.7-139.2 130.1 -0.1 -8.3 35.9 61 79 A D > - 0 0 79 -2,-0.3 3,-2.0 1,-0.2 -15,-0.1 -0.327 28.8-118.3 -54.0 143.7 1.2 -10.7 33.2 62 80 A E T 3 S+ 0 0 25 1,-0.3 -1,-0.2 -17,-0.1 -44,-0.1 0.495 113.3 68.9 -62.9 -0.5 3.5 -9.0 30.7 63 81 A N T 3 S+ 0 0 68 2,-0.1 196,-0.5 -46,-0.0 -1,-0.3 0.722 95.1 55.4 -89.6 -29.2 0.7 -10.1 28.3 64 82 A R S < S- 0 0 95 -3,-2.0 2,-0.6 194,-0.1 194,-0.2 -0.559 93.1 -91.6-106.5 171.1 -1.9 -7.7 29.5 65 83 A R E -M 257 0E 48 192,-3.3 192,-0.9 -2,-0.2 2,-0.3 -0.727 32.4-161.4 -91.0 120.7 -2.1 -3.9 30.0 66 84 A A E -M 256 0E 0 -2,-0.6 2,-1.0 15,-0.4 3,-0.4 -0.770 19.9-129.2 -95.0 146.3 -1.1 -2.4 33.3 67 85 A W + 0 0 83 188,-0.7 -24,-2.4 -2,-0.3 -2,-0.0 -0.734 68.1 110.3-100.6 86.4 -2.2 1.2 34.1 68 86 A H + 0 0 12 -2,-1.0 -1,-0.2 -26,-0.2 -24,-0.1 0.632 68.1 49.9-125.6 -32.2 1.0 3.0 35.2 69 87 A A + 0 0 5 -3,-0.4 2,-0.1 1,-0.1 -2,-0.1 0.884 66.4 176.0 -89.4 -43.5 2.0 5.5 32.5 70 88 A G + 0 0 36 2,-0.1 2,-0.4 9,-0.0 11,-0.4 -0.408 65.7 13.1 67.5-145.2 -1.1 7.6 31.7 71 89 A V S S+ 0 0 113 8,-0.1 2,-0.3 -2,-0.1 7,-0.0 -0.502 93.9 152.9 -67.2 121.2 -0.6 10.5 29.2 72 90 A S - 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