==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-09 3I6Y . COMPND 2 MOLECULE: ESTERASE APC40077; . SOURCE 2 ORGANISM_SCIENTIFIC: OLEISPIRA ANTARCTICA; . AUTHOR A.U.SINGER,E.EVDOKIMOVA,O.KAGAN,A.M.EDWARDS,A.JOACHIMIAK,A.S . 556 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 0.4 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 . 37 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 2 2 4 0 2 2 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 0 4 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 2 0 0 0 2 2 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 2 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 0 131 0, 0.0 20,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -22.3 -11.6 40.0 -46.8 2 3 A I E -A 20 0A 76 18,-0.2 2,-0.4 2,-0.0 18,-0.2 -0.940 360.0-177.3-155.0 129.6 -9.1 39.8 -43.9 3 4 A E E -A 19 0A 116 16,-2.8 16,-2.1 -2,-0.3 2,-0.6 -0.979 25.9-137.3-141.6 123.4 -9.4 41.2 -40.4 4 5 A N E +A 18 0A 65 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.709 26.6 179.1 -73.0 117.7 -7.2 41.3 -37.3 5 6 A L E + 0 0 61 12,-3.2 2,-0.3 -2,-0.6 13,-0.2 0.781 57.2 2.1 -93.5 -33.5 -9.6 40.5 -34.5 6 7 A S E -A 17 0A 37 11,-1.2 11,-1.7 2,-0.0 2,-0.3 -0.984 53.9-163.2-155.8 154.3 -7.3 40.5 -31.4 7 8 A S E +A 16 0A 42 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.991 7.6 176.9-144.4 137.0 -3.7 41.1 -30.4 8 9 A N E -A 15 0A 24 7,-2.4 7,-2.8 -2,-0.3 2,-0.1 -0.955 31.3-123.2-140.5 123.9 -1.8 40.2 -27.2 9 10 A K E -A 14 0A 35 523,-0.5 2,-0.4 -2,-0.3 525,-0.3 -0.435 34.8-177.5 -64.2 135.5 1.9 40.8 -26.6 10 11 A S E > -A 13 0A 1 3,-2.8 3,-2.2 25,-0.2 529,-0.1 -0.929 60.1 -26.7-145.8 116.8 3.6 37.6 -25.8 11 12 A F T 3 S- 0 0 51 527,-0.4 3,-0.1 -2,-0.4 528,-0.1 0.874 123.8 -50.9 44.1 48.4 7.2 37.1 -24.8 12 13 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.3 24,-0.1 2,-0.2 0.396 132.4 78.0 73.2 -3.2 8.3 40.2 -26.7 13 14 A G E < S-A 10 0A 0 -3,-2.2 -3,-2.8 -5,-0.1 2,-0.4 -0.370 83.5 -94.2-113.0-160.8 6.4 39.0 -29.8 14 15 A W E -AB 9 35A 81 21,-2.3 21,-2.7 -5,-0.3 2,-0.6 -0.976 12.1-159.1-133.3 128.9 2.7 38.9 -30.7 15 16 A H E +AB 8 34A 0 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.937 30.9 176.8 -92.9 120.5 -0.2 36.6 -30.5 16 17 A K E -AB 7 33A 43 17,-2.6 17,-2.4 -2,-0.6 2,-0.4 -0.978 21.0-151.1-129.7 138.7 -2.8 37.7 -33.1 17 18 A Q E -AB 6 32A 18 -11,-1.7 -12,-3.2 -2,-0.4 -11,-1.2 -0.869 18.3-174.7-106.3 137.4 -6.2 36.3 -34.2 18 19 A Y E -AB 4 31A 24 13,-3.0 13,-1.9 -2,-0.4 2,-0.4 -0.915 17.4-156.6-126.0 152.2 -7.6 36.8 -37.7 19 20 A S E +AB 3 30A 20 -16,-2.1 -16,-2.8 -2,-0.3 2,-0.3 -0.980 23.8 168.1-118.6 145.4 -10.7 36.1 -39.7 20 21 A H E -AB 2 29A 6 9,-2.3 9,-2.7 -2,-0.4 2,-0.7 -0.962 41.5-101.9-148.2 161.4 -10.6 35.8 -43.4 21 22 A V E - B 0 28A 93 -20,-1.9 2,-0.4 -2,-0.3 7,-0.2 -0.819 39.8-141.8 -90.5 116.4 -12.9 34.7 -46.3 22 23 A S E >> - B 0 27A 1 5,-3.0 4,-1.1 -2,-0.7 5,-0.7 -0.659 15.4-166.8 -82.7 125.9 -11.7 31.2 -47.3 23 24 A N T 45S+ 0 0 116 -2,-0.4 -1,-0.2 2,-0.2 99,-0.0 0.837 91.8 46.7 -77.0 -31.3 -11.7 30.5 -51.1 24 25 A T T 45S+ 0 0 33 1,-0.2 -1,-0.2 3,-0.1 98,-0.1 0.801 123.7 32.0 -81.6 -26.8 -11.2 26.8 -50.5 25 26 A L T 45S- 0 0 0 2,-0.2 -2,-0.2 92,-0.1 -1,-0.2 0.587 94.6-138.2-104.0 -14.8 -13.8 26.4 -47.8 26 27 A N T <5S+ 0 0 113 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.946 72.3 85.2 51.8 53.9 -16.2 29.1 -49.0 27 28 A C E - 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.230 30.6 -97.8 -75.7 168.5 8.4 36.0 -32.4 37 38 A P G > S+ 0 0 37 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.811 120.0 68.1 -54.4 -35.8 10.4 39.1 -31.5 38 39 A Q G > >S+ 0 0 58 34,-0.3 3,-1.5 1,-0.3 5,-1.1 0.785 87.8 66.0 -54.2 -32.3 12.7 38.6 -34.5 39 40 A A G < 5S+ 0 0 17 -3,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.627 95.8 57.9 -64.2 -14.3 9.7 39.4 -36.8 40 41 A S G < 5S+ 0 0 94 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.493 100.1 59.6 -90.0 -7.7 9.7 43.0 -35.4 41 42 A T T < 5S- 0 0 105 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.577 121.7 -93.9 -97.4 -16.2 13.4 43.5 -36.5 42 43 A G T 5S+ 0 0 64 -4,-0.4 -3,-0.1 1,-0.4 -4,-0.1 0.184 83.5 132.9 110.4 -13.6 13.1 43.0 -40.3 43 44 A A < - 0 0 37 -5,-1.1 2,-0.4 1,-0.0 -1,-0.4 -0.393 54.7-132.7 -65.5 144.0 14.0 39.3 -40.1 44 45 A K - 0 0 132 -3,-0.1 93,-0.3 -2,-0.1 -1,-0.0 -0.854 27.4-154.1 -90.1 138.6 11.8 36.8 -42.0 45 46 A V E -d 137 0A 4 91,-1.9 93,-2.3 -2,-0.4 31,-0.1 -0.844 13.1-114.2-113.8 153.5 11.0 33.9 -39.8 46 47 A P E - 0 0 15 0, 0.0 31,-2.8 0, 0.0 2,-0.4 -0.368 33.4-125.4 -78.3 165.8 10.1 30.2 -40.6 47 48 A V E -de 141 77A 2 93,-2.1 95,-2.5 29,-0.2 2,-0.7 -0.955 14.5-162.0-123.1 126.2 6.6 28.9 -39.8 48 49 A L E -de 142 78A 1 29,-3.1 31,-2.3 -2,-0.4 2,-0.5 -0.933 18.2-149.9 -99.2 116.9 5.4 25.9 -37.7 49 50 A Y E -de 143 79A 1 93,-2.9 95,-2.7 -2,-0.7 2,-0.5 -0.766 11.6-160.7 -83.5 129.6 1.8 25.1 -38.7 50 51 A W E -d 144 0A 1 29,-2.9 2,-0.5 -2,-0.5 95,-0.2 -0.943 2.8-162.4-117.3 126.6 -0.0 23.6 -35.7 51 52 A L E -d 145 0A 0 93,-2.8 95,-1.7 -2,-0.5 102,-0.1 -0.890 12.4-144.1-113.3 132.8 -3.2 21.5 -36.2 52 53 A S - 0 0 0 -2,-0.5 100,-0.1 29,-0.4 3,-0.1 -0.432 11.9-115.6 -97.6 167.2 -5.5 20.9 -33.4 53 54 A G > - 0 0 1 1,-0.2 3,-1.8 95,-0.2 -1,-0.1 -0.102 56.1 -38.3 -93.5-173.1 -7.7 17.9 -32.4 54 55 A L T 3 S+ 0 0 22 1,-0.2 -1,-0.2 48,-0.1 48,-0.2 -0.157 124.1 6.7 -51.7 138.7 -11.4 17.3 -32.1 55 56 A T T 3 S+ 0 0 93 46,-2.0 -1,-0.2 41,-0.3 47,-0.1 0.187 98.4 128.9 74.9 -13.0 -13.5 20.1 -30.6 56 57 A C < - 0 0 9 -3,-1.8 27,-0.5 45,-0.4 -1,-0.2 -0.240 42.4-156.3 -73.5 160.7 -10.6 22.6 -30.6 57 58 A S - 0 0 31 25,-0.1 3,-0.4 -3,-0.1 4,-0.3 -0.495 46.1 -83.2-111.9-169.0 -10.6 26.1 -32.0 58 59 A D S S+ 0 0 6 -2,-0.2 4,-0.2 1,-0.2 22,-0.1 0.332 123.8 61.0 -76.0 9.5 -7.6 28.2 -33.2 59 60 A E S > S+ 0 0 77 2,-0.1 4,-2.5 3,-0.1 5,-0.2 0.775 77.8 77.7-105.7 -35.6 -7.2 29.2 -29.5 60 61 A N H > S+ 0 0 35 -3,-0.4 4,-2.4 1,-0.2 5,-0.3 0.852 100.6 39.5 -54.5 -50.8 -6.5 26.0 -27.4 61 62 A F H > S+ 0 0 2 -4,-0.3 4,-2.5 2,-0.2 5,-0.5 0.924 114.9 53.0 -65.0 -46.7 -2.8 25.5 -28.3 62 63 A X H 4 S+ 0 0 2 -4,-0.2 4,-0.3 1,-0.2 6,-0.2 0.912 117.9 38.6 -55.6 -39.9 -2.0 29.3 -28.2 63 64 A Q H < S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.855 130.5 21.8 -77.3 -39.6 -3.4 29.4 -24.7 64 65 A K H < S+ 0 0 56 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.657 102.8 70.9-114.6 -21.0 -2.3 26.2 -23.2 65 66 A A S < S- 0 0 1 -4,-2.5 200,-0.2 -5,-0.3 -3,-0.1 0.809 79.9-140.8 -75.5 -25.2 0.7 24.7 -24.9 66 67 A G + 0 0 30 -5,-0.5 4,-0.4 -4,-0.3 3,-0.3 0.855 53.9 140.3 70.0 34.6 3.3 27.3 -23.6 67 68 A A > + 0 0 0 -6,-0.4 4,-2.3 1,-0.2 5,-0.2 0.670 47.7 80.2 -81.4 -17.7 5.0 27.3 -27.0 68 69 A Q H > S+ 0 0 9 -6,-0.2 4,-2.5 1,-0.2 5,-0.2 0.862 82.6 60.7 -65.9 -37.2 5.7 31.0 -27.0 69 70 A R H > S+ 0 0 57 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.945 115.5 31.7 -53.7 -54.2 8.7 31.0 -24.7 70 71 A L H > S+ 0 0 2 -4,-0.4 4,-3.1 2,-0.2 5,-0.2 0.838 114.2 59.2 -77.4 -34.4 10.8 28.9 -27.0 71 72 A A H X>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-1.0 0.904 108.4 49.6 -58.0 -39.6 9.3 30.1 -30.3 72 73 A A H <5S+ 0 0 11 -4,-2.5 3,-0.4 -5,-0.2 -34,-0.3 0.942 112.9 44.4 -63.4 -49.9 10.5 33.5 -29.2 73 74 A E H <5S+ 0 0 124 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.938 119.3 41.2 -60.6 -46.3 14.0 32.3 -28.4 74 75 A L H <5S- 0 0 45 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.530 108.8-119.6 -85.1 -6.7 14.4 30.3 -31.6 75 76 A G T <5 + 0 0 7 -4,-1.0 2,-0.5 -3,-0.4 -3,-0.2 0.909 59.2 148.9 71.5 43.2 12.7 32.8 -33.9 76 77 A I < - 0 0 0 -5,-2.3 2,-0.3 -31,-0.1 -1,-0.2 -0.933 38.2-146.1-110.7 130.0 9.8 30.6 -35.1 77 78 A A E - e 0 47A 0 -31,-2.8 -29,-3.1 -2,-0.5 2,-0.4 -0.697 15.1-153.4 -85.9 147.5 6.4 31.8 -36.1 78 79 A I E -Ce 34 48A 0 -44,-2.1 -44,-3.0 -2,-0.3 2,-0.5 -0.983 6.9-165.5-124.4 131.9 3.5 29.5 -35.2 79 80 A V E -Ce 33 49A 0 -31,-2.3 -29,-2.9 -2,-0.4 -46,-0.2 -0.983 2.5-171.3-120.5 124.6 0.2 29.4 -37.2 80 81 A A E -C 32 0A 0 -48,-2.9 -48,-2.3 -2,-0.5 -29,-0.1 -0.895 6.3-166.5-119.4 98.6 -2.8 27.7 -35.7 81 82 A P E -C 31 0A 0 0, 0.0 -29,-0.4 0, 0.0 -50,-0.2 -0.305 30.4 -97.9 -70.8 165.6 -5.8 27.3 -38.0 82 83 A D - 0 0 9 -52,-1.2 -25,-0.1 2,-0.1 -30,-0.1 -0.199 31.9-116.7 -72.6 176.1 -9.2 26.3 -36.7 83 84 A T S S+ 0 0 0 -27,-0.5 20,-1.9 1,-0.1 22,-0.3 0.439 82.8 3.5-103.7 -7.8 -10.3 22.6 -37.1 84 85 A S S S- 0 0 0 18,-0.2 -1,-0.1 19,-0.1 -2,-0.1 -0.961 86.2 -78.1-160.1 165.9 -13.3 22.9 -39.4 85 86 A P - 0 0 0 0, 0.0 16,-0.3 0, 0.0 2,-0.3 -0.393 54.0-166.8 -60.4 157.7 -15.3 25.3 -41.6 86 87 A R + 0 0 75 -58,-0.6 -58,-0.4 14,-0.1 2,-0.1 -0.964 30.0 32.7-148.1 155.0 -17.7 27.3 -39.3 87 88 A G S > S+ 0 0 47 -2,-0.3 3,-1.9 3,-0.1 -58,-0.0 -0.384 88.3 7.3 100.8-168.9 -20.7 29.6 -39.7 88 89 A E T 3 S+ 0 0 194 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 -0.201 125.3 12.1 -55.7 130.0 -23.7 30.1 -42.0 89 90 A G T 3 S+ 0 0 37 1,-0.3 2,-0.5 -62,-0.1 -1,-0.3 0.389 93.6 127.0 88.0 -2.5 -24.3 27.4 -44.6 90 91 A V < - 0 0 16 -3,-1.9 -1,-0.3 26,-0.1 -3,-0.1 -0.803 58.9-124.7 -96.1 126.9 -21.8 24.9 -43.0 91 92 A A + 0 0 14 -2,-0.5 2,-0.3 21,-0.2 9,-0.1 -0.150 35.7 174.6 -63.0 161.9 -23.1 21.4 -42.3 92 93 A D - 0 0 84 7,-0.2 2,-0.3 8,-0.0 7,-0.2 -0.963 24.8-136.9-162.2 166.7 -22.7 20.1 -38.7 93 94 A D - 0 0 64 5,-0.6 7,-0.2 -2,-0.3 5,-0.1 -0.965 23.6-127.1-130.8 150.6 -23.5 17.2 -36.4 94 95 A E S S+ 0 0 208 -2,-0.3 2,-0.1 3,-0.1 -1,-0.1 0.783 87.5 87.7 -66.3 -23.1 -24.7 17.3 -32.8 95 96 A G S > S- 0 0 26 1,-0.1 3,-1.2 -3,-0.0 -2,-0.3 -0.454 81.1-130.8 -81.5 148.2 -21.8 15.0 -31.8 96 97 A Y T 3 S+ 0 0 126 1,-0.2 -41,-0.3 -2,-0.1 -1,-0.1 0.719 104.2 62.1 -63.8 -23.3 -18.4 16.3 -30.9 97 98 A D T 3 S+ 0 0 27 -43,-0.1 2,-0.3 -42,-0.0 -1,-0.2 0.292 102.8 45.5 -93.3 9.0 -16.8 13.7 -33.3 98 99 A L S < S- 0 0 12 -3,-1.2 -5,-0.6 2,-0.2 2,-0.3 -0.994 101.1 -1.5-153.8 149.0 -18.3 14.9 -36.6 99 100 A G S > S+ 0 0 0 3,-0.5 3,-2.0 -2,-0.3 -7,-0.2 -0.545 109.1 36.2 74.7-128.6 -18.9 18.2 -38.5 100 101 A Q T 3 S+ 0 0 42 -2,-0.3 -2,-0.2 1,-0.3 -45,-0.1 -0.291 128.7 15.3 -68.1 140.0 -17.8 21.4 -36.8 101 102 A G T 3 S+ 0 0 1 -16,-0.3 -46,-2.0 -47,-0.1 -45,-0.4 0.529 121.1 74.4 73.4 9.5 -14.6 21.1 -34.7 102 103 A A < + 0 0 0 -3,-2.0 -3,-0.5 -48,-0.2 -18,-0.2 -0.182 43.2 139.7-150.5 43.5 -14.0 17.8 -36.6 103 104 A G > - 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