==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAY-11 3S8Y . COMPND 2 MOLECULE: ESTERASE APC40077; . SOURCE 2 ORGANISM_SCIENTIFIC: OLEISPIRA ANTARCTICA; . AUTHOR P.PETIT,A.DONG,O.KAGAN,A.SAVCHENKO,A.F.YAKUNIN . 277 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 2 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 . 18 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.2 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 1 1 2 0 2 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 S 0 0 123 0, 0.0 20,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -15.7 -14.9 24.1 12.4 2 3 A I E -A 20 0A 79 18,-0.2 2,-0.4 2,-0.0 18,-0.2 -0.979 360.0-175.7-151.2 129.5 -12.3 21.3 12.3 3 4 A E E -A 19 0A 120 16,-3.2 16,-2.5 -2,-0.3 2,-0.7 -0.989 22.5-139.8-134.8 126.6 -12.3 17.7 13.6 4 5 A N E -A 18 0A 67 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.764 23.6-179.1 -80.3 116.4 -9.5 15.2 13.6 5 6 A L E + 0 0 63 12,-2.8 2,-0.3 -2,-0.7 13,-0.2 0.770 58.6 2.4 -93.0 -32.5 -11.3 11.9 12.8 6 7 A S E -A 17 0A 32 11,-1.2 11,-1.7 2,-0.0 2,-0.3 -0.994 50.1-164.3-154.4 158.8 -8.5 9.4 12.9 7 8 A S E +A 16 0A 50 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.937 13.0 176.2-148.8 117.0 -4.8 9.1 13.6 8 9 A N E -A 15 0A 82 7,-3.1 7,-2.9 -2,-0.3 2,-0.1 -0.977 29.4-126.6-129.5 121.8 -2.7 6.1 12.5 9 10 A K E -A 14 0A 147 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.407 32.8-179.8 -64.9 138.5 1.0 5.7 13.0 10 11 A S E > -A 13 0A 24 3,-2.7 3,-2.4 -2,-0.1 -2,-0.0 -0.931 62.6 -24.7-148.9 116.1 2.7 4.9 9.7 11 12 A F T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.843 125.4 -51.1 47.2 42.4 6.4 4.3 9.2 12 13 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 24,-0.1 2,-0.1 0.254 130.6 81.0 83.0 -13.9 7.2 6.5 12.2 13 14 A G E < S-A 10 0A 1 -3,-2.4 -3,-2.7 -5,-0.0 2,-0.4 -0.264 80.8-100.9-104.8-160.9 5.0 9.3 11.0 14 15 A W E -AB 9 35A 104 21,-2.5 21,-2.9 -5,-0.3 2,-0.6 -0.982 10.9-156.1-136.8 128.2 1.3 9.8 11.2 15 16 A H E +AB 8 34A 11 -7,-2.9 -7,-3.1 -2,-0.4 2,-0.4 -0.889 28.4 179.7 -91.4 125.7 -1.6 9.5 8.8 16 17 A K E -AB 7 33A 44 17,-2.7 17,-2.7 -2,-0.6 2,-0.4 -0.995 16.3-154.2-132.1 137.8 -4.4 11.7 10.0 17 18 A Q E -AB 6 32A 22 -11,-1.7 -12,-2.8 -2,-0.4 -11,-1.2 -0.880 15.9-170.7-109.8 142.5 -7.9 12.3 8.6 18 19 A Y E -AB 4 31A 18 13,-3.1 13,-1.8 -2,-0.4 2,-0.4 -0.911 17.5-157.5-129.4 155.5 -9.9 15.5 9.1 19 20 A S E +AB 3 30A 25 -16,-2.5 -16,-3.2 -2,-0.3 2,-0.3 -0.975 24.9 162.3-121.1 145.5 -13.3 17.0 8.6 20 21 A H E -AB 2 29A 8 9,-2.0 9,-3.0 -2,-0.4 2,-0.7 -0.979 44.7 -98.8-153.0 161.6 -13.9 20.7 8.4 21 22 A V E - B 0 28A 92 -20,-1.7 2,-0.5 -2,-0.3 7,-0.2 -0.790 40.3-147.3 -84.9 115.8 -16.5 23.2 7.2 22 23 A S E >> - B 0 27A 1 5,-2.9 5,-1.0 -2,-0.7 4,-0.9 -0.729 12.8-163.5 -87.1 128.1 -15.4 24.4 3.8 23 24 A N T 45S+ 0 0 82 -2,-0.5 -1,-0.1 2,-0.2 99,-0.0 0.793 92.0 48.4 -76.6 -30.6 -16.2 28.0 2.9 24 25 A T T 45S+ 0 0 43 1,-0.2 -1,-0.1 3,-0.1 98,-0.1 0.854 122.3 33.4 -77.3 -34.3 -15.6 27.5 -0.8 25 26 A L T 45S- 0 0 0 2,-0.2 -2,-0.2 92,-0.1 -1,-0.2 0.589 97.9-137.8 -96.1 -13.6 -17.7 24.3 -1.0 26 27 A N T <5S+ 0 0 114 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.919 71.3 73.5 54.5 48.8 -20.2 25.4 1.6 27 28 A C E - 0 0 2 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.238 31.6 -96.8 -70.7 166.9 6.6 12.3 8.1 37 38 A P G > S+ 0 0 43 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.807 121.6 67.4 -51.5 -33.8 8.7 11.7 11.3 38 39 A Q G > >S+ 0 0 58 34,-0.3 3,-1.6 1,-0.3 5,-0.8 0.794 88.2 66.4 -59.8 -28.5 10.5 15.1 10.7 39 40 A A G < 5S+ 0 0 17 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.706 94.4 58.6 -67.2 -18.7 7.2 16.8 11.5 40 41 A S G < 5S+ 0 0 101 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.439 97.3 62.8 -87.7 -0.5 7.4 15.6 15.1 41 42 A T T < 5S- 0 0 104 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.555 117.8 -96.4-102.0 -12.9 10.8 17.3 15.7 42 43 A G T 5S+ 0 0 69 1,-0.4 -3,-0.1 -3,-0.4 -2,-0.1 0.142 84.6 128.1 109.0 -16.8 9.9 21.0 15.3 43 44 A A < - 0 0 44 -5,-0.8 2,-0.4 1,-0.1 -1,-0.4 -0.364 58.2-127.3 -71.6 151.6 11.1 21.0 11.6 44 45 A K - 0 0 146 -3,-0.1 93,-0.3 93,-0.1 -1,-0.1 -0.875 26.8-158.5 -95.6 134.4 8.8 22.4 8.8 45 46 A V E -d 137 0A 4 91,-1.9 93,-2.0 -2,-0.4 31,-0.2 -0.784 17.5-109.5-111.3 154.8 8.3 20.0 5.9 46 47 A P E - 0 0 10 0, 0.0 31,-2.7 0, 0.0 2,-0.4 -0.348 33.6-127.4 -72.5 164.6 7.2 20.6 2.3 47 48 A V E -de 141 77A 2 93,-2.2 95,-1.9 29,-0.2 2,-0.6 -0.963 14.7-164.1-122.3 130.3 3.8 19.5 1.0 48 49 A L E -de 142 78A 1 29,-3.0 31,-2.3 -2,-0.4 2,-0.5 -0.965 17.6-148.9-103.8 118.7 2.8 17.3 -1.9 49 50 A Y E -de 143 79A 1 93,-2.6 95,-2.4 -2,-0.6 2,-0.5 -0.794 11.9-157.2 -83.6 127.0 -0.9 17.7 -2.7 50 51 A W E -d 144 0A 0 29,-3.1 2,-0.5 -2,-0.5 95,-0.2 -0.945 2.5-159.4-111.8 125.0 -2.3 14.4 -4.2 51 52 A L E -d 145 0A 0 93,-3.0 95,-1.7 -2,-0.5 102,-0.2 -0.894 12.0-149.4-108.0 123.0 -5.5 14.6 -6.2 52 53 A S - 0 0 0 -2,-0.5 3,-0.1 29,-0.4 100,-0.1 -0.395 10.4-122.2 -91.9 168.2 -7.4 11.3 -6.7 53 54 A G > - 0 0 0 1,-0.2 3,-1.9 95,-0.2 -1,-0.1 -0.036 53.0 -28.8 -98.2-165.2 -9.5 10.1 -9.5 54 55 A L T 3 S+ 0 0 19 1,-0.3 -1,-0.2 48,-0.1 48,-0.2 -0.182 124.3 3.6 -53.6 133.0 -13.1 9.0 -10.1 55 56 A T T 3 S+ 0 0 88 46,-2.7 -1,-0.3 41,-0.3 47,-0.1 0.325 98.2 131.0 76.0 -4.1 -14.9 7.4 -7.2 56 57 A C < - 0 0 9 -3,-1.9 27,-0.6 45,-0.5 -1,-0.3 -0.452 41.7-157.1 -79.5 152.8 -12.0 7.9 -4.8 57 58 A S - 0 0 36 25,-0.1 4,-0.3 -2,-0.1 3,-0.2 -0.294 46.4 -82.6-100.5-162.9 -12.3 9.4 -1.3 58 59 A D S S+ 0 0 4 1,-0.2 4,-0.3 -2,-0.1 -26,-0.2 0.470 124.3 55.8 -78.7 -3.7 -9.5 11.2 0.6 59 60 A E S > S+ 0 0 20 2,-0.1 4,-2.5 3,-0.1 5,-0.3 0.688 77.7 84.1-105.8 -23.7 -8.2 7.7 1.7 60 61 A N H > S+ 0 0 30 -3,-0.2 4,-2.3 1,-0.2 5,-0.3 0.909 98.3 41.0 -50.7 -52.9 -7.6 5.6 -1.4 61 62 A F H > S+ 0 0 2 -4,-0.3 4,-2.4 1,-0.2 5,-0.4 0.925 113.4 53.6 -63.0 -46.7 -4.1 7.0 -2.0 62 63 A M H 4 S+ 0 0 6 -4,-0.3 4,-0.2 1,-0.2 -1,-0.2 0.881 118.1 37.1 -55.3 -39.8 -3.1 6.9 1.6 63 64 A Q H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.795 130.0 24.8 -83.6 -30.4 -4.1 3.3 1.9 64 65 A K H < S+ 0 0 111 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.651 101.7 70.4-117.4 -20.5 -3.0 1.9 -1.5 65 66 A A S < S- 0 0 0 -4,-2.4 200,-0.2 -5,-0.3 -3,-0.1 0.715 81.3-140.7 -78.4 -18.5 -0.2 3.9 -3.1 66 67 A G + 0 0 45 -5,-0.4 4,-0.3 -4,-0.2 3,-0.2 0.869 55.6 137.8 61.0 38.0 2.5 2.9 -0.6 67 68 A A > + 0 0 1 -6,-0.4 4,-2.3 1,-0.2 5,-0.2 0.634 44.9 81.8 -86.5 -14.3 3.9 6.4 -0.5 68 69 A Q H > S+ 0 0 18 -6,-0.2 4,-2.6 1,-0.2 5,-0.2 0.867 82.3 58.1 -66.5 -39.2 4.5 6.6 3.2 69 70 A R H > S+ 0 0 114 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.937 116.1 34.1 -59.6 -48.0 7.8 4.8 3.5 70 71 A L H > S+ 0 0 0 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.849 114.1 58.2 -76.5 -35.8 9.7 7.1 1.1 71 72 A A H X>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 4,-1.6 0.913 107.8 49.3 -55.6 -40.5 7.8 10.2 2.2 72 73 A A H <5S+ 0 0 10 -4,-2.6 -34,-0.3 -5,-0.2 -1,-0.2 0.907 111.9 47.6 -67.4 -40.2 9.0 9.5 5.7 73 74 A E H <5S+ 0 0 111 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.887 117.7 41.2 -67.6 -37.8 12.6 9.1 4.4 74 75 A L H <5S- 0 0 42 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.636 108.0-122.6 -86.0 -15.0 12.4 12.3 2.3 75 76 A G T <5 + 0 0 6 -4,-1.6 2,-0.4 -5,-0.2 -3,-0.2 0.934 58.6 147.4 72.8 47.8 10.6 14.3 5.0 76 77 A I < - 0 0 0 -5,-2.0 2,-0.3 -31,-0.2 -1,-0.2 -0.960 40.5-143.1-119.1 128.2 7.6 15.2 2.8 77 78 A A E - e 0 47A 0 -31,-2.7 -29,-3.0 -2,-0.4 2,-0.5 -0.688 14.6-154.1 -81.7 143.2 4.0 15.7 3.9 78 79 A I E -Ce 34 48A 1 -44,-1.7 -44,-2.9 -2,-0.3 2,-0.5 -0.987 6.4-165.9-120.5 128.6 1.3 14.5 1.6 79 80 A V E -Ce 33 49A 0 -31,-2.3 -29,-3.1 -2,-0.5 -46,-0.2 -0.962 3.0-172.6-114.6 127.6 -2.2 16.0 1.7 80 81 A A E -C 32 0A 0 -48,-3.2 -48,-2.1 -2,-0.5 -29,-0.1 -0.889 6.3-164.1-122.2 100.9 -5.1 14.2 -0.1 81 82 A P E -C 31 0A 0 0, 0.0 -29,-0.4 0, 0.0 -50,-0.2 -0.280 33.4 -93.9 -71.9 169.5 -8.4 16.1 -0.3 82 83 A D - 0 0 4 -52,-1.2 -25,-0.1 1,-0.1 -30,-0.1 -0.221 33.7-116.9 -69.6 173.3 -11.6 14.3 -1.2 83 84 A T S S- 0 0 0 -27,-0.6 20,-1.7 1,-0.1 22,-0.4 0.453 85.8 -5.9 -97.7 -0.8 -12.6 14.3 -4.8 84 85 A S S S- 0 0 0 18,-0.2 -1,-0.1 19,-0.1 -2,-0.1 -0.959 87.6 -73.9-171.0 167.1 -15.8 16.3 -4.4 85 86 A P - 0 0 0 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.398 55.6-152.9 -64.0 161.9 -18.1 17.8 -1.8 86 87 A R + 0 0 79 -58,-0.6 -58,-0.2 14,-0.1 3,-0.2 -0.931 35.1 68.5-140.5 158.7 -20.1 15.0 -0.0 87 88 A G S > S- 0 0 31 -2,-0.3 3,-1.4 1,-0.1 13,-0.1 -0.357 81.6 -76.8 119.2 162.8 -23.4 14.5 1.8 88 89 A E T 3 S+ 0 0 199 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.662 125.8 60.9 -69.3 -17.3 -27.2 14.4 1.4 89 90 A G T 3 S+ 0 0 67 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.376 95.9 77.5 -87.2 3.4 -27.2 18.2 1.2 90 91 A V S < S- 0 0 10 -3,-1.4 -3,-0.1 26,-0.0 10,-0.1 -0.944 90.0-107.6-120.5 133.8 -24.9 18.0 -1.9 91 92 A A + 0 0 27 -2,-0.4 2,-0.3 21,-0.3 -2,-0.1 -0.151 43.4 177.2 -57.7 149.5 -26.1 17.2 -5.4 92 93 A D - 0 0 86 7,-0.2 2,-0.3 -4,-0.1 7,-0.2 -0.910 22.0-141.4-144.9 172.6 -25.2 13.8 -6.8 93 94 A D - 0 0 62 5,-0.5 7,-0.2 -2,-0.3 5,-0.1 -0.967 22.8-127.3-135.7 154.4 -25.6 11.5 -9.8 94 95 A E S S+ 0 0 204 -2,-0.3 2,-0.1 3,-0.1 -1,-0.1 0.790 85.1 90.9 -74.2 -24.1 -26.1 7.8 -9.9 95 96 A G S > S- 0 0 24 1,-0.1 3,-1.2 2,-0.0 -2,-0.2 -0.393 79.0-132.1 -72.0 145.9 -23.2 7.4 -12.4 96 97 A Y T 3 S+ 0 0 124 1,-0.2 -41,-0.3 -2,-0.1 -1,-0.1 0.711 105.3 55.9 -63.6 -20.3 -19.6 6.8 -11.1 97 98 A D T 3 S+ 0 0 20 -43,-0.1 2,-0.3 -42,-0.1 -1,-0.2 0.202 103.9 51.4-106.5 16.2 -18.4 9.6 -13.5 98 99 A L S < S- 0 0 12 -3,-1.2 -5,-0.5 2,-0.2 2,-0.3 -0.993 100.5 -0.9-150.3 144.2 -20.6 12.5 -12.4 99 100 A G B > S+I 102 0B 0 3,-0.6 3,-1.8 -2,-0.3 -7,-0.2 -0.588 110.7 29.9 83.5-133.2 -21.4 14.1 -9.0 100 101 A Q T 3 S+ 0 0 33 -2,-0.3 -2,-0.2 1,-0.3 -7,-0.1 -0.383 130.1 18.7 -72.3 142.3 -19.9 12.8 -5.8 101 102 A G T 3 S+ 0 0 1 -16,-0.3 -46,-2.7 -47,-0.1 -45,-0.5 0.545 123.0 70.7 71.3 9.2 -16.5 11.1 -6.3 102 103 A A B < +I 99 0B 0 -3,-1.8 -3,-0.6 -48,-0.2 -18,-0.2 -0.165 44.3 137.2-152.1 47.5 -16.4 13.1 -9.5 103 104 A G > - 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