==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAY-06 2GV1 . COMPND 2 MOLECULE: PROBABLE ACYLPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.PAGANO,A.CORAZZA,P.VIGLINO,G.ESPOSITO . 92 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 22.8 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 . 1 1.1 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 . 9 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 0 1 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 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 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 0 245 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.9 5.1 21.8 -0.7 2 2 A S + 0 0 84 1,-0.2 2,-0.1 48,-0.0 0, 0.0 0.384 360.0 95.1-145.1 -51.5 6.4 18.8 1.2 3 3 A K - 0 0 143 48,-0.1 2,-0.4 1,-0.1 48,-0.2 -0.345 46.6-175.8 -61.3 127.6 3.8 15.9 1.1 4 4 A V - 0 0 56 46,-2.4 2,-0.2 -2,-0.1 77,-0.1 -0.875 4.3-169.3-132.5 90.6 4.4 13.4 -1.8 5 5 A a E -A 80 0A 13 75,-0.7 75,-2.6 -2,-0.4 2,-0.3 -0.519 6.0-168.5 -81.6 153.2 1.7 10.7 -2.1 6 6 A I E -AB 79 48A 19 42,-1.9 42,-1.7 73,-0.3 2,-0.5 -0.983 16.9-137.1-143.9 149.6 2.2 7.7 -4.4 7 7 A I E -AB 78 47A 14 71,-2.4 71,-2.2 -2,-0.3 2,-0.5 -0.959 16.3-167.5-114.9 124.9 0.1 4.9 -5.9 8 8 A A E -AB 77 46A 10 38,-3.1 38,-2.8 -2,-0.5 2,-0.6 -0.953 4.6-160.2-119.4 109.6 1.5 1.3 -6.0 9 9 A W E -AB 76 45A 75 67,-2.7 67,-2.6 -2,-0.5 2,-0.5 -0.826 9.2-157.4 -92.1 116.4 -0.3 -1.4 -8.0 10 10 A V E -AB 75 44A 8 34,-2.9 34,-2.3 -2,-0.6 65,-0.2 -0.857 7.9-161.8-101.3 121.6 0.6 -5.0 -7.0 11 11 A Y E + 0 0 88 63,-2.8 62,-0.5 -2,-0.5 63,-0.2 -0.371 48.5 40.2 -91.3 173.2 0.1 -7.8 -9.5 12 12 A G E S-A 72 0A 17 60,-0.2 2,-1.5 61,-0.2 3,-0.4 -0.307 111.9 -21.0 79.9-167.0 -0.2 -11.5 -8.9 13 13 A R E S+A 71 0A 188 58,-1.3 58,-1.7 1,-0.2 30,-0.1 -0.588 87.0 121.0 -83.8 86.0 -1.9 -13.4 -6.1 14 14 A V > + 0 0 0 -2,-1.5 5,-0.8 28,-1.1 3,-0.3 0.701 51.7 76.0-117.5 -40.6 -2.2 -10.6 -3.5 15 15 A Q T 5S+ 0 0 67 27,-0.9 2,-0.2 -3,-0.4 29,-0.1 -0.474 91.3 32.6 -73.6 149.3 -6.0 -10.3 -2.8 16 16 A G T 5S+ 0 0 80 -2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 -0.292 98.1 78.8 101.9 -43.3 -7.7 -13.0 -0.8 17 17 A V T 5S- 0 0 64 -3,-0.3 -2,-0.1 -2,-0.2 52,-0.1 0.555 108.7-113.7 -69.6 -8.1 -4.8 -13.8 1.6 18 18 A G T 5 + 0 0 33 -4,-0.2 -3,-0.1 3,-0.0 3,-0.1 0.919 49.2 173.5 71.3 47.1 -5.7 -10.6 3.5 19 19 A F < + 0 0 12 -5,-0.8 2,-2.4 1,-0.3 3,-0.5 0.857 66.5 76.0 -50.6 -40.9 -2.5 -8.9 2.6 20 20 A R + 0 0 76 1,-0.2 -1,-0.3 2,-0.1 16,-0.1 -0.302 68.9 100.3 -70.8 55.0 -3.9 -5.7 4.2 21 21 A Y S >> S+ 0 0 183 -2,-2.4 3,-0.9 -3,-0.1 4,-0.5 0.831 87.8 25.5-103.6 -68.9 -3.2 -7.0 7.8 22 22 A T H 3> S+ 0 0 38 -3,-0.5 4,-2.5 1,-0.2 5,-0.3 0.717 100.6 88.9 -73.3 -22.1 -0.0 -5.4 9.1 23 23 A T H 3> S+ 0 0 5 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.808 89.3 50.2 -41.3 -40.0 -0.5 -2.4 6.8 24 24 A Q H <> S+ 0 0 91 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.969 111.9 43.8 -64.8 -60.5 -2.6 -0.8 9.6 25 25 A Y H >X S+ 0 0 164 -4,-0.5 4,-1.0 2,-0.2 3,-0.7 0.943 117.5 45.3 -51.3 -57.0 -0.0 -1.4 12.5 26 26 A E H >X S+ 0 0 67 -4,-2.5 4,-1.4 1,-0.3 3,-1.2 0.921 108.6 56.7 -54.0 -50.2 3.0 -0.3 10.3 27 27 A A H 3X>S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.3 5,-0.9 0.803 101.7 58.2 -51.9 -34.0 1.0 2.8 9.1 28 28 A K H <<5S+ 0 0 183 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.821 101.8 54.2 -67.9 -33.4 0.5 3.8 12.7 29 29 A R H <<5S+ 0 0 204 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.882 117.6 35.3 -66.1 -41.8 4.3 3.9 13.2 30 30 A L H <5S- 0 0 33 -4,-1.4 -2,-0.2 25,-0.1 -1,-0.2 0.772 98.6-138.3 -81.9 -30.9 4.8 6.3 10.3 31 31 A G T <5 + 0 0 61 -4,-2.3 -3,-0.2 -5,-0.2 -4,-0.1 0.681 52.2 144.7 75.0 21.4 1.5 8.2 10.9 32 32 A L < - 0 0 23 -5,-0.9 57,-0.4 1,-0.1 -1,-0.2 -0.237 37.9-141.2 -81.2 174.7 0.8 8.3 7.1 33 33 A T + 0 0 22 55,-0.2 2,-0.3 16,-0.1 16,-0.3 -0.317 43.6 95.6-117.3-161.4 -2.6 8.0 5.5 34 34 A G - 0 0 1 54,-0.5 56,-1.2 14,-0.2 2,-0.3 -0.794 55.0 -99.5 120.8-155.2 -4.0 6.3 2.3 35 35 A Y E -Cd 47 90A 72 12,-1.1 12,-2.2 -2,-0.3 2,-0.6 -0.951 6.3-132.3-168.1 159.2 -5.8 3.0 1.6 36 36 A A E +Cd 46 91A 3 54,-1.0 56,-1.2 -2,-0.3 10,-0.2 -0.895 35.8 169.6-118.0 95.3 -5.3 -0.6 0.3 37 37 A K E -C 45 0A 101 8,-2.3 8,-2.0 -2,-0.6 2,-0.4 -0.488 25.8-127.9 -99.0 171.2 -8.0 -1.5 -2.3 38 38 A N E -C 44 0A 23 6,-0.3 6,-0.3 -2,-0.2 -2,-0.0 -0.988 15.3-132.7-127.3 133.2 -8.2 -4.6 -4.6 39 39 A L - 0 0 63 4,-2.2 3,-0.4 -2,-0.4 -24,-0.0 -0.116 23.8-115.1 -71.2 173.5 -8.8 -4.7 -8.4 40 40 A D S S+ 0 0 167 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.168 109.3 62.7 -96.3 13.4 -11.3 -6.9 -10.2 41 41 A D S S- 0 0 148 2,-0.1 -1,-0.2 0, 0.0 -30,-0.0 0.324 126.1 -85.4-121.4 0.6 -8.4 -8.8 -12.0 42 42 A G S S+ 0 0 24 -3,-0.4 -28,-1.1 1,-0.3 -27,-0.9 0.405 92.0 116.4 111.4 3.3 -6.7 -10.4 -8.9 43 43 A S - 0 0 8 -29,-0.2 -4,-2.2 -30,-0.1 2,-0.4 -0.510 55.7-131.4-108.4 165.1 -4.4 -7.4 -8.0 44 44 A V E -BC 10 38A 4 -34,-2.3 -34,-2.9 -6,-0.3 2,-0.6 -0.984 9.4-152.5-126.9 124.5 -4.1 -5.0 -5.0 45 45 A E E -BC 9 37A 39 -8,-2.0 -8,-2.3 -2,-0.4 2,-0.4 -0.860 14.3-172.7-100.3 116.5 -3.8 -1.1 -5.1 46 46 A V E -BC 8 36A 10 -38,-2.8 -38,-3.1 -2,-0.6 2,-0.3 -0.918 1.5-174.4-113.5 133.0 -1.9 0.6 -2.2 47 47 A V E +BC 7 35A 6 -12,-2.2 -12,-1.1 -2,-0.4 2,-0.3 -0.956 5.6 172.6-128.6 145.2 -1.8 4.4 -1.7 48 48 A A E -B 6 0A 7 -42,-1.7 -42,-1.9 -2,-0.3 -14,-0.2 -0.967 13.0-156.2-157.9 137.1 0.2 6.5 0.8 49 49 A a + 0 0 14 -2,-0.3 2,-0.2 -16,-0.3 -44,-0.1 -0.413 49.5 57.5-104.2 178.4 1.0 10.2 1.6 50 50 A G S S- 0 0 13 -2,-0.1 -46,-2.4 -18,-0.1 2,-0.4 -0.631 98.4 -10.4 100.1-158.1 3.8 12.0 3.5 51 51 A E >> - 0 0 117 -2,-0.2 4,-2.4 -48,-0.2 3,-0.5 -0.667 61.7-130.9 -79.6 128.6 7.6 11.9 2.8 52 52 A E H 3> S+ 0 0 110 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.860 108.0 54.1 -44.8 -49.3 8.6 9.2 0.3 53 53 A G H 3> S+ 0 0 48 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.902 109.8 45.7 -49.6 -54.3 11.3 8.0 2.7 54 54 A Q H X> S+ 0 0 88 -3,-0.5 3,-0.7 1,-0.2 4,-0.7 0.910 113.6 49.7 -59.5 -47.8 8.8 7.6 5.7 55 55 A V H >X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 3,-0.8 0.893 104.6 59.9 -56.4 -41.6 6.3 5.8 3.4 56 56 A E H 3X S+ 0 0 106 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.766 89.9 71.2 -64.1 -26.9 9.1 3.5 2.1 57 57 A K H << S+ 0 0 128 -4,-1.0 4,-0.3 -3,-0.7 3,-0.3 0.912 108.1 33.8 -55.0 -49.0 9.7 2.2 5.7 58 58 A L H XX S+ 0 0 10 -3,-0.8 3,-1.3 -4,-0.7 4,-0.8 0.802 109.3 66.7 -76.9 -30.3 6.4 0.2 5.7 59 59 A M H 3X S+ 0 0 26 -4,-1.5 4,-2.6 1,-0.3 5,-0.3 0.745 81.3 79.2 -66.1 -21.4 6.7 -0.5 1.9 60 60 A Q H 3X S+ 0 0 132 -4,-1.5 4,-0.6 -3,-0.3 -1,-0.3 0.922 94.6 48.4 -44.4 -46.3 9.8 -2.7 2.8 61 61 A W H X>>S+ 0 0 46 -3,-1.3 4,-1.8 -4,-0.3 3,-0.8 0.902 108.2 52.9 -67.7 -41.0 7.2 -5.3 3.8 62 62 A L H 3<5S+ 0 0 18 -4,-0.8 3,-0.4 1,-0.3 -2,-0.2 0.949 114.2 42.1 -54.5 -53.1 5.1 -4.9 0.6 63 63 A K H 3<5S+ 0 0 129 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.484 112.8 57.0 -75.5 -2.4 8.3 -5.5 -1.5 64 64 A S H <<5S- 0 0 95 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.731 100.3-134.4 -94.3 -30.4 9.3 -8.3 0.9 65 65 A G T <5 - 0 0 25 -4,-1.8 -3,-0.2 -3,-0.4 -2,-0.1 0.987 22.7-169.0 71.1 62.7 6.1 -10.4 0.4 66 66 A G S S- 0 0 39 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.608 70.6-160.4 -73.4 104.6 2.6 -13.8 3.5 68 68 A R T 3 S+ 0 0 228 -2,-0.9 -2,-0.1 1,-0.3 -3,-0.0 0.694 87.4 72.8 -55.1 -25.0 4.4 -16.6 1.5 69 69 A S T 3 S+ 0 0 97 -52,-0.1 -1,-0.3 2,-0.1 -56,-0.1 0.815 84.9 85.0 -59.9 -32.3 0.9 -17.8 0.4 70 70 A A S < S- 0 0 10 -3,-2.0 2,-0.4 -53,-0.1 -56,-0.2 -0.301 72.2-147.4 -66.6 155.7 0.9 -14.6 -1.8 71 71 A R E -A 13 0A 159 -58,-1.7 -58,-1.3 -60,-0.1 2,-1.2 -0.780 9.1-162.7-127.7 82.7 2.5 -14.8 -5.3 72 72 A V E +A 12 0A 62 -2,-0.4 -60,-0.2 -60,-0.2 3,-0.1 -0.568 19.4 167.3 -70.4 95.3 3.9 -11.3 -6.0 73 73 A E E - 0 0 140 -2,-1.2 2,-0.3 -62,-0.5 -1,-0.2 0.913 61.9 -19.8 -77.2 -48.0 4.3 -11.5 -9.8 74 74 A R E - 0 0 139 -63,-0.2 -63,-2.8 2,-0.0 -1,-0.3 -0.954 55.1-157.7-156.7 163.3 4.9 -7.8 -10.5 75 75 A V E -A 10 0A 69 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.941 5.4-164.4-154.6 131.6 4.4 -4.4 -9.0 76 76 A L E -A 9 0A 98 -67,-2.6 -67,-2.7 -2,-0.3 2,-0.3 -0.950 4.5-159.1-122.7 141.0 4.2 -0.8 -10.5 77 77 A S E +A 8 0A 87 -2,-0.3 -69,-0.2 -69,-0.2 -2,-0.0 -0.927 12.1 172.5-122.4 142.8 4.5 2.7 -8.8 78 78 A E E -A 7 0A 107 -71,-2.2 -71,-2.4 -2,-0.3 2,-0.2 -0.944 39.6 -87.1-143.2 159.6 3.3 6.2 -10.0 79 79 A P E -A 6 0A 103 0, 0.0 2,-0.4 0, 0.0 -73,-0.3 -0.483 38.8-161.0 -72.4 137.5 3.1 9.8 -8.6 80 80 A H E +A 5 0A 54 -75,-2.6 -75,-0.7 -2,-0.2 -32,-0.0 -0.978 17.1 174.0-125.3 116.9 -0.1 10.6 -6.6 81 81 A H - 0 0 183 -2,-0.4 2,-0.1 -77,-0.1 -75,-0.0 -0.636 15.0-177.4-121.9 74.8 -1.3 14.2 -5.9 82 82 A P - 0 0 38 0, 0.0 2,-0.1 0, 0.0 -77,-0.1 -0.421 33.0-104.2 -72.7 146.3 -4.8 13.9 -4.3 83 83 A S S S- 0 0 122 -2,-0.1 -2,-0.0 2,-0.1 0, 0.0 -0.457 82.9 -0.2 -71.2 140.6 -6.7 17.1 -3.4 84 84 A G S S- 0 0 70 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.008 99.1 -62.8 71.2 179.7 -6.7 18.1 0.2 85 85 A E - 0 0 177 -36,-0.0 2,-0.1 -52,-0.0 -2,-0.1 -0.894 52.1-123.4-101.7 131.0 -5.1 16.3 3.2 86 86 A L - 0 0 72 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.366 11.3-142.7 -70.1 150.8 -6.4 12.8 4.0 87 87 A T - 0 0 128 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.975 65.1 -25.4 -77.3 -77.3 -7.7 12.0 7.5 88 88 A D - 0 0 97 -54,-0.1 -54,-0.5 -55,-0.1 -1,-0.3 -0.857 68.7 -88.0-137.9 166.2 -6.5 8.4 8.3 89 89 A F + 0 0 23 -57,-0.4 2,-0.2 -2,-0.3 -54,-0.2 -0.526 51.5 159.7 -75.6 146.4 -5.5 5.2 6.6 90 90 A R E -d 35 0A 161 -56,-1.2 -54,-1.0 -2,-0.2 2,-0.2 -0.762 26.3-124.1-149.8-168.2 -8.3 2.6 5.8 91 91 A I E d 36 0A 63 -56,-0.2 -54,-0.2 -2,-0.2 -57,-0.0 -0.830 360.0 360.0-139.6 174.5 -9.1 -0.4 3.6 92 92 A R 0 0 141 -56,-1.2 -55,-0.1 -2,-0.2 -1,-0.1 0.956 360.0 360.0 -59.3 360.0 -11.7 -1.6 1.0